data_18547 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18547 _Entry.PDB_ID 2LUZ save_ save_delta_chem_shifts _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts _Entity_delta_chem_shifts.Model_type single _Entity_delta_chem_shifts.Entry_ID 18547 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 12 12 ALA N N 2 125.600 125.600 130.421 -4.821 18547 2 1 1 . 1 1 12 12 ALA HA H 2 4.300 4.300 4.701 -0.401 18547 3 1 1 . 1 1 12 12 ALA C C 2 177.600 177.600 176.515 1.085 18547 4 1 1 . 1 1 12 12 ALA CA C 2 52.600 52.600 52.175 0.425 18547 5 1 1 . 1 1 12 12 ALA CB C 2 19.200 19.200 17.247 1.953 18547 6 1 1 . 1 1 12 12 ALA H H 2 8.380 8.380 8.680 -0.300 18547 7 1 1 . 1 1 13 13 SER N N 3 115.000 115.000 115.672 -0.672 18547 8 1 1 . 1 1 13 13 SER HA H 3 4.390 4.390 4.516 -0.126 18547 9 1 1 . 1 1 13 13 SER C C 3 175.100 175.100 174.256 0.844 18547 10 1 1 . 1 1 13 13 SER CA C 3 58.500 58.500 57.274 1.226 18547 11 1 1 . 1 1 13 13 SER CB C 3 63.800 63.800 64.508 -0.708 18547 12 1 1 . 1 1 13 13 SER H H 3 8.250 8.250 7.736 0.514 18547 13 1 1 . 1 1 14 14 GLY N N 4 110.700 110.700 108.091 2.609 18547 14 1 1 . 1 1 14 14 GLY C C 4 174.000 174.000 174.498 -0.498 18547 15 1 1 . 1 1 14 14 GLY CA C 4 45.400 45.400 44.952 0.448 18547 16 1 1 . 1 1 14 14 GLY H H 4 8.390 8.390 8.471 -0.081 18547 17 1 1 . 1 1 15 15 GLN N N 5 120.100 120.100 124.914 -4.814 18547 18 1 1 . 1 1 15 15 GLN HA H 5 4.310 4.310 3.981 0.329 18547 19 1 1 . 1 1 15 15 GLN C C 5 175.500 175.500 175.573 -0.073 18547 20 1 1 . 1 1 15 15 GLN CA C 5 55.600 55.600 55.471 0.128 18547 21 1 1 . 1 1 15 15 GLN CB C 5 29.700 29.700 27.987 1.713 18547 22 1 1 . 1 1 15 15 GLN H H 5 8.190 8.190 8.488 -0.298 18547 23 1 1 . 1 1 16 16 ALA N N 6 126.000 126.000 130.108 -4.108 18547 24 1 1 . 1 1 16 16 ALA HA H 6 4.360 4.360 4.300 0.060 18547 25 1 1 . 1 1 16 16 ALA C C 6 177.300 177.300 176.411 0.889 18547 26 1 1 . 1 1 16 16 ALA CA C 6 52.300 52.300 51.623 0.677 18547 27 1 1 . 1 1 16 16 ALA CB C 6 19.200 19.200 18.537 0.663 18547 28 1 1 . 1 1 16 16 ALA H H 6 8.400 8.400 8.212 0.188 18547 29 1 1 . 1 1 17 17 THR N N 7 119.200 119.200 120.937 -1.737 18547 30 1 1 . 1 1 17 17 THR HA H 7 4.370 4.370 4.400 -0.030 18547 31 1 1 . 1 1 17 17 THR C C 7 173.600 173.600 174.123 -0.523 18547 32 1 1 . 1 1 17 17 THR CA C 7 63.200 63.200 62.702 0.498 18547 33 1 1 . 1 1 17 17 THR CB C 7 70.600 70.600 69.599 1.002 18547 34 1 1 . 1 1 17 17 THR H H 7 8.180 8.180 8.016 0.164 18547 35 1 1 . 1 1 18 18 GLU N N 8 127.500 127.500 127.987 -0.487 18547 36 1 1 . 1 1 18 18 GLU HA H 8 4.540 4.540 4.547 -0.007 18547 37 1 1 . 1 1 18 18 GLU C C 8 174.200 174.200 174.767 -0.567 18547 38 1 1 . 1 1 18 18 GLU CA C 8 55.100 55.100 54.257 0.843 18547 39 1 1 . 1 1 18 18 GLU CB C 8 31.900 31.900 31.456 0.444 18547 40 1 1 . 1 1 18 18 GLU H H 8 8.810 8.810 8.667 0.143 18547 41 1 1 . 1 1 19 19 ARG N N 9 122.100 122.100 127.024 -4.924 18547 42 1 1 . 1 1 19 19 ARG HA H 9 5.060 5.060 4.653 0.407 18547 43 1 1 . 1 1 19 19 ARG C C 9 175.000 175.000 175.423 -0.423 18547 44 1 1 . 1 1 19 19 ARG CA C 9 54.800 54.800 56.102 -1.302 18547 45 1 1 . 1 1 19 19 ARG CB C 9 31.600 31.600 30.494 1.106 18547 46 1 1 . 1 1 19 19 ARG H H 9 8.070 8.070 8.491 -0.421 18547 47 1 1 . 1 1 20 20 ALA N N 10 126.300 126.300 127.041 -0.741 18547 48 1 1 . 1 1 20 20 ALA HA H 10 4.640 4.640 4.688 -0.048 18547 49 1 1 . 1 1 20 20 ALA C C 10 173.800 173.800 175.039 -1.239 18547 50 1 1 . 1 1 20 20 ALA CA C 10 51.100 51.100 50.639 0.461 18547 51 1 1 . 1 1 20 20 ALA CB C 10 22.800 22.800 22.224 0.576 18547 52 1 1 . 1 1 20 20 ALA H H 10 9.390 9.390 8.978 0.412 18547 53 1 1 . 1 1 21 21 LEU N N 11 117.500 117.500 119.856 -2.356 18547 54 1 1 . 1 1 21 21 LEU HA H 11 5.790 5.790 5.605 0.185 18547 55 1 1 . 1 1 21 21 LEU C C 11 178.100 178.100 176.909 1.191 18547 56 1 1 . 1 1 21 21 LEU CA C 11 53.100 53.100 53.482 -0.382 18547 57 1 1 . 1 1 21 21 LEU CB C 11 45.400 45.400 46.758 -1.359 18547 58 1 1 . 1 1 21 21 LEU H H 11 8.280 8.280 8.396 -0.116 18547 59 1 1 . 1 1 22 22 GLY N N 12 113.400 113.400 108.296 5.104 18547 60 1 1 . 1 1 22 22 GLY C C 12 174.800 174.800 171.872 2.928 18547 61 1 1 . 1 1 22 22 GLY CA C 12 44.500 44.500 45.800 -1.300 18547 62 1 1 . 1 1 22 22 GLY H H 12 8.830 8.830 8.437 0.393 18547 63 1 1 . 1 1 23 23 ARG N N 13 119.600 119.600 119.099 0.501 18547 64 1 1 . 1 1 23 23 ARG HA H 13 5.040 5.040 5.237 -0.197 18547 65 1 1 . 1 1 23 23 ARG C C 13 174.900 174.900 174.831 0.069 18547 66 1 1 . 1 1 23 23 ARG CA C 13 55.800 55.800 54.762 1.038 18547 67 1 1 . 1 1 23 23 ARG CB C 13 33.600 33.600 33.323 0.277 18547 68 1 1 . 1 1 23 23 ARG H H 13 8.160 8.160 8.352 -0.192 18547 69 1 1 . 1 1 24 24 ARG N N 14 121.900 121.900 124.480 -2.580 18547 70 1 1 . 1 1 24 24 ARG HA H 14 4.530 4.530 4.631 -0.101 18547 71 1 1 . 1 1 24 24 ARG C C 14 174.000 174.000 174.221 -0.221 18547 72 1 1 . 1 1 24 24 ARG CA C 14 55.200 55.200 55.601 -0.401 18547 73 1 1 . 1 1 24 24 ARG CB C 14 34.700 34.700 33.376 1.324 18547 74 1 1 . 1 1 24 24 ARG H H 14 8.780 8.780 8.642 0.138 18547 75 1 1 . 1 1 25 25 THR N N 15 121.700 121.700 120.425 1.275 18547 76 1 1 . 1 1 25 25 THR HA H 15 4.420 4.420 4.312 0.108 18547 77 1 1 . 1 1 25 25 THR C C 15 173.700 173.700 174.214 -0.514 18547 78 1 1 . 1 1 25 25 THR CA C 15 63.600 63.600 63.030 0.570 18547 79 1 1 . 1 1 25 25 THR CB C 15 68.600 68.600 69.396 -0.796 18547 80 1 1 . 1 1 25 25 THR H H 15 8.800 8.800 8.224 0.576 18547 81 1 1 . 1 1 26 26 ILE N N 16 124.200 124.200 120.321 3.879 18547 82 1 1 . 1 1 26 26 ILE HA H 16 4.940 4.940 4.925 0.015 18547 83 1 1 . 1 1 26 26 ILE CA C 16 59.300 59.300 56.764 2.536 18547 84 1 1 . 1 1 26 26 ILE CB C 16 38.200 38.200 39.455 -1.255 18547 85 1 1 . 1 1 26 26 ILE H H 16 8.420 8.420 8.398 0.022 18547 86 1 1 . 1 1 27 27 PRO HA H 17 4.180 4.180 4.211 -0.031 18547 87 1 1 . 1 1 27 27 PRO C C 17 178.100 178.100 176.686 1.414 18547 88 1 1 . 1 1 27 27 PRO CA C 17 67.200 67.200 65.786 1.414 18547 89 1 1 . 1 1 27 27 PRO CB C 17 30.700 30.700 31.379 -0.679 18547 90 1 1 . 1 1 28 28 ALA N N 18 114.800 114.800 119.554 -4.754 18547 91 1 1 . 1 1 28 28 ALA HA H 18 4.270 4.270 4.274 -0.004 18547 92 1 1 . 1 1 28 28 ALA C C 18 177.000 177.000 177.566 -0.566 18547 93 1 1 . 1 1 28 28 ALA CA C 18 53.100 53.100 53.003 0.097 18547 94 1 1 . 1 1 28 28 ALA CB C 18 19.500 19.500 19.882 -0.382 18547 95 1 1 . 1 1 28 28 ALA H H 18 8.060 8.060 7.860 0.200 18547 96 1 1 . 1 1 29 29 GLY N N 19 107.100 107.100 105.247 1.853 18547 97 1 1 . 1 1 29 29 GLY C C 19 171.900 171.900 172.015 -0.115 18547 98 1 1 . 1 1 29 29 GLY CA C 19 44.000 44.000 44.688 -0.688 18547 99 1 1 . 1 1 29 29 GLY H H 19 8.140 8.140 7.440 0.700 18547 100 1 1 . 1 1 30 30 GLU N N 20 120.000 120.000 120.818 -0.818 18547 101 1 1 . 1 1 30 30 GLU HA H 20 4.320 4.320 4.330 -0.010 18547 102 1 1 . 1 1 30 30 GLU C C 20 175.600 175.600 175.761 -0.161 18547 103 1 1 . 1 1 30 30 GLU CA C 20 57.300 57.300 56.063 1.237 18547 104 1 1 . 1 1 30 30 GLU CB C 20 29.100 29.100 28.326 0.774 18547 105 1 1 . 1 1 30 30 GLU H H 20 8.380 8.380 8.565 -0.185 18547 106 1 1 . 1 1 31 31 ALA N N 21 129.500 129.500 127.712 1.788 18547 107 1 1 . 1 1 31 31 ALA HA H 21 4.610 4.610 4.518 0.092 18547 108 1 1 . 1 1 31 31 ALA C C 21 177.200 177.200 176.614 0.586 18547 109 1 1 . 1 1 31 31 ALA CA C 21 51.200 51.200 51.791 -0.591 18547 110 1 1 . 1 1 31 31 ALA CB C 21 22.500 22.500 20.399 2.101 18547 111 1 1 . 1 1 31 31 ALA H H 21 8.660 8.660 7.931 0.729 18547 112 1 1 . 1 1 32 32 ARG N N 22 120.400 120.400 118.922 1.478 18547 113 1 1 . 1 1 32 32 ARG HA H 22 4.950 4.950 4.903 0.047 18547 114 1 1 . 1 1 32 32 ARG C C 22 173.400 173.400 175.752 -2.352 18547 115 1 1 . 1 1 32 32 ARG CA C 22 55.500 55.500 54.783 0.717 18547 116 1 1 . 1 1 32 32 ARG CB C 22 32.500 32.500 32.873 -0.373 18547 117 1 1 . 1 1 32 32 ARG H H 22 8.090 8.090 7.994 0.096 18547 118 1 1 . 1 1 33 33 SER N N 23 113.800 113.800 118.034 -4.234 18547 119 1 1 . 1 1 33 33 SER HA H 23 5.560 5.560 5.496 0.064 18547 120 1 1 . 1 1 33 33 SER C C 23 174.500 174.500 173.656 0.844 18547 121 1 1 . 1 1 33 33 SER CA C 23 55.600 55.600 56.587 -0.987 18547 122 1 1 . 1 1 33 33 SER CB C 23 67.300 67.300 66.220 1.080 18547 123 1 1 . 1 1 33 33 SER H H 23 8.080 8.080 8.603 -0.523 18547 124 1 1 . 1 1 34 34 ILE N N 24 112.700 112.700 119.007 -6.307 18547 125 1 1 . 1 1 34 34 ILE HA H 24 4.950 4.950 4.845 0.105 18547 126 1 1 . 1 1 34 34 ILE C C 24 175.400 175.400 174.584 0.816 18547 127 1 1 . 1 1 34 34 ILE CA C 24 58.300 58.300 60.201 -1.901 18547 128 1 1 . 1 1 34 34 ILE CB C 24 39.900 39.900 39.006 0.894 18547 129 1 1 . 1 1 34 34 ILE H H 24 7.980 7.980 8.315 -0.335 18547 130 1 1 . 1 1 35 35 ILE N N 25 121.800 121.800 125.593 -3.793 18547 131 1 1 . 1 1 35 35 ILE HA H 25 4.960 4.960 5.052 -0.092 18547 132 1 1 . 1 1 35 35 ILE C C 25 174.800 174.800 175.156 -0.356 18547 133 1 1 . 1 1 35 35 ILE CA C 25 60.700 60.700 59.688 1.012 18547 134 1 1 . 1 1 35 35 ILE CB C 25 41.300 41.300 41.185 0.115 18547 135 1 1 . 1 1 35 35 ILE H H 25 8.960 8.960 8.535 0.425 18547 136 1 1 . 1 1 36 36 ILE N N 26 127.900 127.900 127.592 0.308 18547 137 1 1 . 1 1 36 36 ILE HA H 26 4.770 4.770 4.613 0.157 18547 138 1 1 . 1 1 36 36 ILE C C 26 175.000 175.000 174.933 0.067 18547 139 1 1 . 1 1 36 36 ILE CA C 26 59.900 59.900 60.561 -0.661 18547 140 1 1 . 1 1 36 36 ILE CB C 26 42.100 42.100 38.564 3.536 18547 141 1 1 . 1 1 36 36 ILE H H 26 9.210 9.210 9.064 0.146 18547 142 1 1 . 1 1 37 37 ARG N N 27 124.100 124.100 128.318 -4.218 18547 143 1 1 . 1 1 37 37 ARG HA H 27 5.850 5.850 5.405 0.445 18547 144 1 1 . 1 1 37 37 ARG C C 27 176.200 176.200 175.155 1.045 18547 145 1 1 . 1 1 37 37 ARG CA C 27 54.100 54.100 54.426 -0.326 18547 146 1 1 . 1 1 37 37 ARG CB C 27 32.900 32.900 31.144 1.756 18547 147 1 1 . 1 1 37 37 ARG H H 27 8.670 8.670 8.752 -0.082 18547 148 1 1 . 1 1 38 38 GLN N N 28 122.900 122.900 124.185 -1.285 18547 149 1 1 . 1 1 38 38 GLN HA H 28 4.710 4.710 5.097 -0.387 18547 150 1 1 . 1 1 38 38 GLN C C 28 173.200 173.200 174.929 -1.729 18547 151 1 1 . 1 1 38 38 GLN CA C 28 54.400 54.400 54.329 0.071 18547 152 1 1 . 1 1 38 38 GLN CB C 28 35.200 35.200 32.004 3.196 18547 153 1 1 . 1 1 38 38 GLN H H 28 9.310 9.310 8.173 1.137 18547 154 1 1 . 1 1 39 39 ARG N N 29 121.400 121.400 123.312 -1.912 18547 155 1 1 . 1 1 39 39 ARG HA H 29 5.260 5.260 4.766 0.494 18547 156 1 1 . 1 1 39 39 ARG C C 29 175.400 175.400 175.590 -0.190 18547 157 1 1 . 1 1 39 39 ARG CA C 29 55.100 55.100 54.101 0.999 18547 158 1 1 . 1 1 39 39 ARG CB C 29 32.500 32.500 30.537 1.964 18547 159 1 1 . 1 1 39 39 ARG H H 29 8.510 8.510 8.199 0.311 18547 160 1 1 . 1 1 40 40 TYR N N 30 120.000 120.000 123.150 -3.150 18547 161 1 1 . 1 1 40 40 TYR HA H 30 4.600 4.600 4.649 -0.049 18547 162 1 1 . 1 1 40 40 TYR C C 30 175.600 175.600 175.036 0.564 18547 163 1 1 . 1 1 40 40 TYR CA C 30 56.900 56.900 56.959 -0.059 18547 164 1 1 . 1 1 40 40 TYR CB C 30 42.700 42.700 41.419 1.281 18547 165 1 1 . 1 1 40 40 TYR H H 30 9.140 9.140 8.478 0.662 18547 166 1 1 . 1 1 41 41 ASP N N 31 126.400 126.400 124.597 1.803 18547 167 1 1 . 1 1 41 41 ASP HA H 31 4.880 4.880 4.909 -0.029 18547 168 1 1 . 1 1 41 41 ASP C C 31 174.500 174.500 174.954 -0.454 18547 169 1 1 . 1 1 41 41 ASP CA C 31 53.200 53.200 53.891 -0.691 18547 170 1 1 . 1 1 41 41 ASP CB C 31 39.200 39.200 39.506 -0.306 18547 171 1 1 . 1 1 41 41 ASP H H 31 9.140 9.140 8.850 0.290 18547 172 1 1 . 1 1 42 42 ALA N N 32 123.100 123.100 121.127 1.973 18547 173 1 1 . 1 1 42 42 ALA HA H 32 4.690 4.690 4.838 -0.148 18547 174 1 1 . 1 1 42 42 ALA CA C 32 50.100 50.100 48.941 1.159 18547 175 1 1 . 1 1 42 42 ALA CB C 32 20.200 20.200 20.301 -0.101 18547 176 1 1 . 1 1 42 42 ALA H H 32 7.770 7.770 7.411 0.359 18547 177 1 1 . 1 1 43 43 PRO HA H 33 4.650 4.650 4.583 0.067 18547 178 1 1 . 1 1 43 43 PRO C C 33 178.100 178.100 177.830 0.270 18547 179 1 1 . 1 1 43 43 PRO CA C 33 62.000 62.000 62.855 -0.855 18547 180 1 1 . 1 1 43 43 PRO CB C 33 33.000 33.000 32.812 0.188 18547 181 1 1 . 1 1 44 44 VAL N N 34 123.500 123.500 121.326 2.174 18547 182 1 1 . 1 1 44 44 VAL HA H 34 3.960 3.960 3.572 0.388 18547 183 1 1 . 1 1 44 44 VAL C C 34 177.500 177.500 177.458 0.042 18547 184 1 1 . 1 1 44 44 VAL CA C 34 66.000 66.000 67.014 -1.014 18547 185 1 1 . 1 1 44 44 VAL CB C 34 32.000 32.000 31.445 0.555 18547 186 1 1 . 1 1 44 44 VAL H H 34 8.570 8.570 8.209 0.361 18547 187 1 1 . 1 1 45 45 ASP N N 35 116.200 116.200 118.049 -1.849 18547 188 1 1 . 1 1 45 45 ASP HA H 35 4.290 4.290 4.258 0.032 18547 189 1 1 . 1 1 45 45 ASP C C 35 178.800 178.800 178.660 0.140 18547 190 1 1 . 1 1 45 45 ASP CA C 35 57.500 57.500 57.734 -0.234 18547 191 1 1 . 1 1 45 45 ASP CB C 35 40.400 40.400 40.259 0.141 18547 192 1 1 . 1 1 45 45 ASP H H 35 8.520 8.520 8.658 -0.138 18547 193 1 1 . 1 1 46 46 GLU N N 36 120.100 120.100 119.906 0.194 18547 194 1 1 . 1 1 46 46 GLU HA H 36 4.260 4.260 4.104 0.156 18547 195 1 1 . 1 1 46 46 GLU C C 36 179.000 179.000 178.805 0.195 18547 196 1 1 . 1 1 46 46 GLU CA C 36 58.400 58.400 59.010 -0.610 18547 197 1 1 . 1 1 46 46 GLU CB C 36 29.700 29.700 29.199 0.501 18547 198 1 1 . 1 1 46 46 GLU H H 36 7.360 7.360 7.564 -0.204 18547 199 1 1 . 1 1 47 47 VAL N N 37 121.800 121.800 118.997 2.803 18547 200 1 1 . 1 1 47 47 VAL HA H 37 3.370 3.370 3.791 -0.421 18547 201 1 1 . 1 1 47 47 VAL C C 37 177.100 177.100 177.632 -0.532 18547 202 1 1 . 1 1 47 47 VAL CA C 37 66.900 66.900 66.062 0.838 18547 203 1 1 . 1 1 47 47 VAL CB C 37 31.000 31.000 31.271 -0.272 18547 204 1 1 . 1 1 47 47 VAL H H 37 7.680 7.680 7.447 0.233 18547 205 1 1 . 1 1 48 48 TRP N N 38 119.800 119.800 122.710 -2.910 18547 206 1 1 . 1 1 48 48 TRP HA H 38 3.990 3.990 4.337 -0.347 18547 207 1 1 . 1 1 48 48 TRP C C 38 180.700 180.700 177.707 2.993 18547 208 1 1 . 1 1 48 48 TRP CA C 38 60.900 60.900 60.624 0.276 18547 209 1 1 . 1 1 48 48 TRP CB C 38 29.300 29.300 29.952 -0.652 18547 210 1 1 . 1 1 48 48 TRP H H 38 9.160 9.160 8.924 0.236 18547 211 1 1 . 1 1 49 49 SER N N 39 116.100 116.100 115.793 0.307 18547 212 1 1 . 1 1 49 49 SER HA H 39 4.010 4.010 4.127 -0.117 18547 213 1 1 . 1 1 49 49 SER C C 39 175.700 175.700 176.537 -0.837 18547 214 1 1 . 1 1 49 49 SER CA C 39 62.700 62.700 62.129 0.571 18547 215 1 1 . 1 1 49 49 SER CB C 39 62.700 62.700 63.046 -0.346 18547 216 1 1 . 1 1 49 49 SER H H 39 8.230 8.230 7.866 0.364 18547 217 1 1 . 1 1 50 50 ALA N N 40 122.300 122.300 123.924 -1.624 18547 218 1 1 . 1 1 50 50 ALA HA H 40 4.020 4.020 4.399 -0.379 18547 219 1 1 . 1 1 50 50 ALA C C 40 176.700 176.700 179.874 -3.174 18547 220 1 1 . 1 1 50 50 ALA CA C 40 55.200 55.200 55.184 0.016 18547 221 1 1 . 1 1 50 50 ALA CB C 40 18.800 18.800 18.297 0.503 18547 222 1 1 . 1 1 50 50 ALA H H 40 7.770 7.770 7.584 0.186 18547 223 1 1 . 1 1 51 51 CYS N N 41 109.400 109.400 115.267 -5.867 18547 224 1 1 . 1 1 51 51 CYS HA H 41 4.510 4.510 4.527 -0.017 18547 225 1 1 . 1 1 51 51 CYS C C 41 172.200 172.200 176.415 -4.215 18547 226 1 1 . 1 1 51 51 CYS CA C 41 61.100 61.100 62.001 -0.901 18547 227 1 1 . 1 1 51 51 CYS CB C 41 29.800 29.800 27.139 2.661 18547 228 1 1 . 1 1 51 51 CYS H H 41 7.080 7.080 8.202 -1.122 18547 229 1 1 . 1 1 52 52 THR N N 42 100.100 100.100 111.141 -11.041 18547 230 1 1 . 1 1 52 52 THR HA H 42 4.240 4.240 4.170 0.070 18547 231 1 1 . 1 1 52 52 THR C C 42 173.500 173.500 174.436 -0.936 18547 232 1 1 . 1 1 52 52 THR CA C 42 62.200 62.200 62.453 -0.253 18547 233 1 1 . 1 1 52 52 THR CB C 42 71.800 71.800 69.888 1.912 18547 234 1 1 . 1 1 52 52 THR H H 42 6.800 6.800 7.437 -0.637 18547 235 1 1 . 1 1 53 53 ASP N N 43 123.000 123.000 124.224 -1.224 18547 236 1 1 . 1 1 53 53 ASP HA H 43 5.080 5.080 4.904 0.176 18547 237 1 1 . 1 1 53 53 ASP CA C 43 50.600 50.600 51.475 -0.875 18547 238 1 1 . 1 1 53 53 ASP CB C 43 42.000 42.000 42.477 -0.478 18547 239 1 1 . 1 1 53 53 ASP H H 43 8.040 8.040 7.706 0.334 18547 240 1 1 . 1 1 54 54 PRO HA H 44 3.960 3.960 4.073 -0.113 18547 241 1 1 . 1 1 54 54 PRO C C 44 176.300 176.300 178.117 -1.817 18547 242 1 1 . 1 1 54 54 PRO CA C 44 65.900 65.900 65.585 0.315 18547 243 1 1 . 1 1 54 54 PRO CB C 44 32.700 32.700 32.015 0.685 18547 244 1 1 . 1 1 55 55 ASN N N 45 112.700 112.700 114.841 -2.141 18547 245 1 1 . 1 1 55 55 ASN HA H 45 4.520 4.520 4.497 0.023 18547 246 1 1 . 1 1 55 55 ASN C C 45 175.900 175.900 177.055 -1.155 18547 247 1 1 . 1 1 55 55 ASN CA C 45 55.100 55.100 55.623 -0.523 18547 248 1 1 . 1 1 55 55 ASN CB C 45 38.900 38.900 38.053 0.847 18547 249 1 1 . 1 1 55 55 ASN H H 45 8.160 8.160 8.743 -0.583 18547 250 1 1 . 1 1 56 56 ARG N N 46 117.700 117.700 118.346 -0.646 18547 251 1 1 . 1 1 56 56 ARG HA H 46 4.250 4.250 4.459 -0.209 18547 252 1 1 . 1 1 56 56 ARG C C 46 177.100 177.100 179.139 -2.039 18547 253 1 1 . 1 1 56 56 ARG CA C 46 58.400 58.400 57.279 1.121 18547 254 1 1 . 1 1 56 56 ARG CB C 46 31.800 31.800 30.210 1.590 18547 255 1 1 . 1 1 56 56 ARG H H 46 7.940 7.940 8.164 -0.224 18547 256 1 1 . 1 1 57 57 ILE N N 47 120.100 120.100 121.906 -1.806 18547 257 1 1 . 1 1 57 57 ILE HA H 47 3.420 3.420 3.848 -0.428 18547 258 1 1 . 1 1 57 57 ILE C C 47 177.400 177.400 176.738 0.662 18547 259 1 1 . 1 1 57 57 ILE CA C 47 64.400 64.400 64.772 -0.372 18547 260 1 1 . 1 1 57 57 ILE CB C 47 39.500 39.500 37.716 1.784 18547 261 1 1 . 1 1 57 57 ILE H H 47 8.610 8.610 7.847 0.763 18547 262 1 1 . 1 1 58 58 ASN N N 48 112.100 112.100 117.631 -5.531 18547 263 1 1 . 1 1 58 58 ASN HA H 48 3.780 3.780 4.282 -0.502 18547 264 1 1 . 1 1 58 58 ASN C C 48 175.300 175.300 176.479 -1.179 18547 265 1 1 . 1 1 58 58 ASN CA C 48 54.400 54.400 55.198 -0.798 18547 266 1 1 . 1 1 58 58 ASN CB C 48 38.200 38.200 37.664 0.536 18547 267 1 1 . 1 1 58 58 ASN H H 48 7.440 7.440 7.949 -0.509 18547 268 1 1 . 1 1 59 59 ARG N N 49 115.600 115.600 117.921 -2.321 18547 269 1 1 . 1 1 59 59 ARG HA H 49 4.120 4.120 4.117 0.003 18547 270 1 1 . 1 1 59 59 ARG C C 49 174.700 174.700 175.910 -1.210 18547 271 1 1 . 1 1 59 59 ARG CA C 49 55.900 55.900 56.177 -0.277 18547 272 1 1 . 1 1 59 59 ARG CB C 49 29.900 29.900 28.841 1.059 18547 273 1 1 . 1 1 59 59 ARG H H 49 7.370 7.370 7.279 0.091 18547 274 1 1 . 1 1 60 60 TRP N N 50 112.500 112.500 114.754 -2.254 18547 275 1 1 . 1 1 60 60 TRP HA H 50 4.860 4.860 4.954 -0.094 18547 276 1 1 . 1 1 60 60 TRP C C 50 173.400 173.400 173.824 -0.424 18547 277 1 1 . 1 1 60 60 TRP CA C 50 55.800 55.800 56.647 -0.847 18547 278 1 1 . 1 1 60 60 TRP CB C 50 31.500 31.500 31.098 0.402 18547 279 1 1 . 1 1 60 60 TRP H H 50 6.860 6.860 7.366 -0.506 18547 280 1 1 . 1 1 61 61 PHE N N 51 126.400 126.400 119.794 6.606 18547 281 1 1 . 1 1 61 61 PHE HA H 51 4.690 4.690 4.588 0.102 18547 282 1 1 . 1 1 61 61 PHE C C 51 173.000 173.000 173.452 -0.452 18547 283 1 1 . 1 1 61 61 PHE CA C 51 55.000 55.000 56.691 -1.692 18547 284 1 1 . 1 1 61 61 PHE CB C 51 37.600 37.600 41.356 -3.756 18547 285 1 1 . 1 1 61 61 PHE H H 51 7.830 7.830 7.466 0.364 18547 286 1 1 . 1 1 62 62 ILE N N 52 126.800 126.800 119.640 7.160 18547 287 1 1 . 1 1 62 62 ILE HA H 52 3.760 3.760 4.105 -0.345 18547 288 1 1 . 1 1 62 62 ILE C C 52 172.600 172.600 174.506 -1.906 18547 289 1 1 . 1 1 62 62 ILE CA C 52 59.900 59.900 59.353 0.547 18547 290 1 1 . 1 1 62 62 ILE CB C 52 41.600 41.600 40.604 0.996 18547 291 1 1 . 1 1 62 62 ILE H H 52 6.010 6.010 7.784 -1.774 18547 292 1 1 . 1 1 63 63 GLU N N 53 124.400 124.400 124.327 0.073 18547 293 1 1 . 1 1 63 63 GLU HA H 53 3.850 3.850 4.299 -0.449 18547 294 1 1 . 1 1 63 63 GLU CA C 53 54.800 54.800 53.185 1.615 18547 295 1 1 . 1 1 63 63 GLU CB C 53 31.700 31.700 28.656 3.044 18547 296 1 1 . 1 1 63 63 GLU H H 53 8.280 8.280 8.355 -0.075 18547 297 1 1 . 1 1 64 64 PRO HA H 54 4.920 4.920 4.550 0.370 18547 298 1 1 . 1 1 64 64 PRO C C 54 175.500 175.500 176.047 -0.547 18547 299 1 1 . 1 1 64 64 PRO CA C 54 62.000 62.000 62.154 -0.154 18547 300 1 1 . 1 1 64 64 PRO CB C 54 31.800 31.800 32.359 -0.559 18547 301 1 1 . 1 1 65 65 LYS N N 55 120.200 120.200 125.566 -5.366 18547 302 1 1 . 1 1 65 65 LYS HA H 55 4.780 4.780 4.704 0.076 18547 303 1 1 . 1 1 65 65 LYS C C 55 176.000 176.000 175.723 0.277 18547 304 1 1 . 1 1 65 65 LYS CA C 55 54.200 54.200 54.929 -0.729 18547 305 1 1 . 1 1 65 65 LYS CB C 55 35.300 35.300 33.446 1.854 18547 306 1 1 . 1 1 65 65 LYS H H 55 8.370 8.370 8.389 -0.019 18547 307 1 1 . 1 1 66 66 GLY N N 56 109.400 109.400 112.226 -2.826 18547 308 1 1 . 1 1 66 66 GLY C C 56 171.400 171.400 173.522 -2.122 18547 309 1 1 . 1 1 66 66 GLY CA C 56 45.400 45.400 45.409 -0.009 18547 310 1 1 . 1 1 66 66 GLY H H 56 8.640 8.640 8.457 0.183 18547 311 1 1 . 1 1 67 67 ASP N N 57 123.800 123.800 121.597 2.203 18547 312 1 1 . 1 1 67 67 ASP HA H 57 4.900 4.900 4.625 0.275 18547 313 1 1 . 1 1 67 67 ASP C C 57 175.600 175.600 177.826 -2.226 18547 314 1 1 . 1 1 67 67 ASP CA C 57 52.400 52.400 56.721 -4.321 18547 315 1 1 . 1 1 67 67 ASP CB C 57 40.700 40.700 41.730 -1.030 18547 316 1 1 . 1 1 67 67 ASP H H 57 7.790 7.790 8.176 -0.386 18547 317 1 1 . 1 1 68 68 LEU N N 58 122.800 122.800 114.347 8.453 18547 318 1 1 . 1 1 68 68 LEU HA H 58 4.270 4.270 3.952 0.318 18547 319 1 1 . 1 1 68 68 LEU C C 58 173.700 173.700 175.503 -1.803 18547 320 1 1 . 1 1 68 68 LEU CA C 58 54.500 54.500 55.917 -1.417 18547 321 1 1 . 1 1 68 68 LEU CB C 58 38.300 38.300 39.756 -1.456 18547 322 1 1 . 1 1 68 68 LEU H H 58 8.330 8.330 7.914 0.416 18547 323 1 1 . 1 1 69 69 ARG N N 59 121.800 121.800 115.025 6.775 18547 324 1 1 . 1 1 69 69 ARG HA H 59 4.710 4.710 4.786 -0.076 18547 325 1 1 . 1 1 69 69 ARG CA C 59 54.100 54.100 53.112 0.988 18547 326 1 1 . 1 1 69 69 ARG CB C 59 31.800 31.800 33.019 -1.219 18547 327 1 1 . 1 1 69 69 ARG H H 59 8.120 8.120 7.525 0.595 18547 328 1 1 . 1 1 70 70 GLU N N 60 122.800 122.800 122.966 -0.166 18547 329 1 1 . 1 1 70 70 GLU HA H 60 3.870 3.870 4.191 -0.321 18547 330 1 1 . 1 1 70 70 GLU C C 60 177.200 177.200 177.506 -0.306 18547 331 1 1 . 1 1 70 70 GLU CA C 60 60.000 60.000 56.834 3.166 18547 332 1 1 . 1 1 70 70 GLU CB C 60 30.200 30.200 29.266 0.934 18547 333 1 1 . 1 1 70 70 GLU H H 60 9.130 9.130 8.643 0.487 18547 334 1 1 . 1 1 71 71 GLY N N 61 117.100 117.100 113.527 3.573 18547 335 1 1 . 1 1 71 71 GLY C C 61 174.900 174.900 174.170 0.730 18547 336 1 1 . 1 1 71 71 GLY CA C 61 45.600 45.600 44.718 0.881 18547 337 1 1 . 1 1 71 71 GLY H H 61 8.710 8.710 8.564 0.146 18547 338 1 1 . 1 1 72 72 GLY N N 62 110.300 110.300 108.814 1.486 18547 339 1 1 . 1 1 72 72 GLY C C 62 174.200 174.200 172.196 2.004 18547 340 1 1 . 1 1 72 72 GLY CA C 62 43.400 43.400 43.461 -0.061 18547 341 1 1 . 1 1 72 72 GLY H H 62 8.760 8.760 8.002 0.758 18547 342 1 1 . 1 1 73 73 ASN N N 63 117.800 117.800 116.371 1.429 18547 343 1 1 . 1 1 73 73 ASN HA H 63 5.490 5.490 5.455 0.035 18547 344 1 1 . 1 1 73 73 ASN C C 63 171.400 171.400 173.964 -2.564 18547 345 1 1 . 1 1 73 73 ASN CA C 63 52.900 52.900 51.680 1.220 18547 346 1 1 . 1 1 73 73 ASN CB C 63 41.500 41.500 41.889 -0.389 18547 347 1 1 . 1 1 73 73 ASN H H 63 8.890 8.890 8.577 0.313 18547 348 1 1 . 1 1 74 74 PHE N N 64 113.500 113.500 113.290 0.210 18547 349 1 1 . 1 1 74 74 PHE HA H 64 5.500 5.500 5.260 0.240 18547 350 1 1 . 1 1 74 74 PHE C C 64 173.200 173.200 173.095 0.105 18547 351 1 1 . 1 1 74 74 PHE CA C 64 55.900 55.900 55.987 -0.087 18547 352 1 1 . 1 1 74 74 PHE CB C 64 44.600 44.600 42.787 1.813 18547 353 1 1 . 1 1 74 74 PHE H H 64 8.700 8.700 8.525 0.175 18547 354 1 1 . 1 1 75 75 ALA N N 65 122.200 122.200 122.863 -0.663 18547 355 1 1 . 1 1 75 75 ALA HA H 65 4.350 4.350 4.557 -0.207 18547 356 1 1 . 1 1 75 75 ALA C C 65 176.000 176.000 175.792 0.208 18547 357 1 1 . 1 1 75 75 ALA CA C 65 52.500 52.500 51.251 1.249 18547 358 1 1 . 1 1 75 75 ALA CB C 65 21.800 21.800 20.927 0.873 18547 359 1 1 . 1 1 75 75 ALA H H 65 8.690 8.690 8.434 0.256 18547 360 1 1 . 1 1 76 76 LEU N N 66 123.800 123.800 125.824 -2.024 18547 361 1 1 . 1 1 76 76 LEU HA H 66 4.520 4.520 4.314 0.206 18547 362 1 1 . 1 1 76 76 LEU C C 66 175.800 175.800 176.829 -1.029 18547 363 1 1 . 1 1 76 76 LEU CA C 66 52.500 52.500 54.296 -1.796 18547 364 1 1 . 1 1 76 76 LEU CB C 66 42.400 42.400 42.450 -0.050 18547 365 1 1 . 1 1 76 76 LEU H H 66 8.350 8.350 8.297 0.053 18547 366 1 1 . 1 1 77 77 GLN N N 67 127.400 127.400 125.365 2.035 18547 367 1 1 . 1 1 77 77 GLN HA H 67 3.900 3.900 4.174 -0.274 18547 368 1 1 . 1 1 77 77 GLN C C 67 176.600 176.600 176.424 0.176 18547 369 1 1 . 1 1 77 77 GLN CA C 67 57.800 57.800 56.210 1.590 18547 370 1 1 . 1 1 77 77 GLN CB C 67 28.000 28.000 28.723 -0.723 18547 371 1 1 . 1 1 77 77 GLN H H 67 8.590 8.590 8.322 0.268 18547 372 1 1 . 1 1 78 78 GLY N N 68 114.800 114.800 114.518 0.282 18547 373 1 1 . 1 1 78 78 GLY C C 68 173.700 173.700 173.188 0.512 18547 374 1 1 . 1 1 78 78 GLY CA C 68 45.700 45.700 45.157 0.543 18547 375 1 1 . 1 1 78 78 GLY H H 68 8.920 8.920 8.792 0.128 18547 376 1 1 . 1 1 79 79 ASN N N 69 124.000 124.000 117.612 6.388 18547 377 1 1 . 1 1 79 79 ASN HA H 69 4.600 4.600 4.648 -0.048 18547 378 1 1 . 1 1 79 79 ASN C C 69 173.300 173.300 172.558 0.742 18547 379 1 1 . 1 1 79 79 ASN CA C 69 52.900 52.900 53.887 -0.987 18547 380 1 1 . 1 1 79 79 ASN CB C 69 41.600 41.600 39.312 2.288 18547 381 1 1 . 1 1 79 79 ASN H H 69 8.360 8.360 7.929 0.431 18547 382 1 1 . 1 1 80 80 ALA N N 70 127.200 127.200 120.814 6.386 18547 383 1 1 . 1 1 80 80 ALA HA H 70 4.170 4.170 4.519 -0.349 18547 384 1 1 . 1 1 80 80 ALA C C 70 174.500 174.500 174.791 -0.291 18547 385 1 1 . 1 1 80 80 ALA CA C 70 52.500 52.500 51.183 1.317 18547 386 1 1 . 1 1 80 80 ALA CB C 70 18.600 18.600 21.145 -2.545 18547 387 1 1 . 1 1 80 80 ALA H H 70 8.930 8.930 7.394 1.536 18547 388 1 1 . 1 1 81 81 SER N N 71 111.000 111.000 113.864 -2.864 18547 389 1 1 . 1 1 81 81 SER HA H 71 4.170 4.170 5.002 -0.832 18547 390 1 1 . 1 1 81 81 SER C C 71 170.900 170.900 174.090 -3.190 18547 391 1 1 . 1 1 81 81 SER CA C 71 56.300 56.300 55.623 0.677 18547 392 1 1 . 1 1 81 81 SER CB C 71 66.600 66.600 65.425 1.175 18547 393 1 1 . 1 1 81 81 SER H H 71 7.980 7.980 8.002 -0.022 18547 394 1 1 . 1 1 82 82 GLY N N 72 102.700 102.700 106.800 -4.100 18547 395 1 1 . 1 1 82 82 GLY C C 72 171.700 171.700 171.681 0.019 18547 396 1 1 . 1 1 82 82 GLY CA C 72 46.200 46.200 45.401 0.799 18547 397 1 1 . 1 1 82 82 GLY H H 72 6.940 6.940 7.495 -0.555 18547 398 1 1 . 1 1 83 83 ASP N N 73 117.900 117.900 119.152 -1.252 18547 399 1 1 . 1 1 83 83 ASP HA H 73 5.430 5.430 5.366 0.064 18547 400 1 1 . 1 1 83 83 ASP C C 73 176.100 176.100 175.016 1.084 18547 401 1 1 . 1 1 83 83 ASP CA C 73 52.700 52.700 53.048 -0.348 18547 402 1 1 . 1 1 83 83 ASP CB C 73 43.600 43.600 45.737 -2.137 18547 403 1 1 . 1 1 83 83 ASP H H 73 8.770 8.770 8.070 0.700 18547 404 1 1 . 1 1 84 84 ILE N N 74 120.200 120.200 120.015 0.185 18547 405 1 1 . 1 1 84 84 ILE HA H 74 4.530 4.530 4.483 0.047 18547 406 1 1 . 1 1 84 84 ILE C C 74 175.600 175.600 176.163 -0.563 18547 407 1 1 . 1 1 84 84 ILE CA C 74 61.700 61.700 60.414 1.286 18547 408 1 1 . 1 1 84 84 ILE CB C 74 36.700 36.700 37.649 -0.949 18547 409 1 1 . 1 1 84 84 ILE H H 74 8.060 8.060 8.575 -0.515 18547 410 1 1 . 1 1 85 85 LEU N N 75 130.400 130.400 128.518 1.882 18547 411 1 1 . 1 1 85 85 LEU HA H 75 4.330 4.330 4.439 -0.109 18547 412 1 1 . 1 1 85 85 LEU C C 75 178.100 178.100 177.429 0.671 18547 413 1 1 . 1 1 85 85 LEU CA C 75 57.000 57.000 56.903 0.097 18547 414 1 1 . 1 1 85 85 LEU CB C 75 42.000 42.000 42.793 -0.793 18547 415 1 1 . 1 1 85 85 LEU H H 75 8.710 8.710 8.577 0.133 18547 416 1 1 . 1 1 86 86 ARG N N 76 115.700 115.700 115.575 0.125 18547 417 1 1 . 1 1 86 86 ARG HA H 76 4.840 4.840 5.167 -0.327 18547 418 1 1 . 1 1 86 86 ARG C C 76 174.900 174.900 174.458 0.442 18547 419 1 1 . 1 1 86 86 ARG CA C 76 54.700 54.700 54.202 0.498 18547 420 1 1 . 1 1 86 86 ARG CB C 76 33.900 33.900 35.096 -1.196 18547 421 1 1 . 1 1 86 86 ARG H H 76 8.130 8.130 8.027 0.103 18547 422 1 1 . 1 1 87 87 CYS N N 77 127.100 127.100 117.761 9.339 18547 423 1 1 . 1 1 87 87 CYS HA H 77 5.130 5.130 5.089 0.041 18547 424 1 1 . 1 1 87 87 CYS C C 77 171.700 171.700 173.904 -2.204 18547 425 1 1 . 1 1 87 87 CYS CA C 77 54.600 54.600 57.839 -3.239 18547 426 1 1 . 1 1 87 87 CYS CB C 77 33.000 33.000 30.566 2.434 18547 427 1 1 . 1 1 87 87 CYS H H 77 10.630 10.630 8.692 1.938 18547 428 1 1 . 1 1 88 88 GLU N N 78 128.200 128.200 124.813 3.387 18547 429 1 1 . 1 1 88 88 GLU HA H 78 4.950 4.950 4.927 0.023 18547 430 1 1 . 1 1 88 88 GLU CA C 78 52.100 52.100 52.798 -0.698 18547 431 1 1 . 1 1 88 88 GLU CB C 78 30.500 30.500 32.594 -2.094 18547 432 1 1 . 1 1 88 88 GLU H H 78 9.460 9.460 8.985 0.475 18547 433 1 1 . 1 1 89 89 PRO HA H 79 2.780 2.780 4.233 -1.453 18547 434 1 1 . 1 1 89 89 PRO CA C 79 60.500 60.500 60.830 -0.330 18547 435 1 1 . 1 1 89 89 PRO CB C 79 31.600 31.600 31.599 0.001 18547 436 1 1 . 1 1 90 90 PRO HA H 80 2.250 2.250 3.110 -0.860 18547 437 1 1 . 1 1 90 90 PRO C C 80 171.400 171.400 175.980 -4.580 18547 438 1 1 . 1 1 90 90 PRO CA C 80 63.700 63.700 61.278 2.422 18547 439 1 1 . 1 1 90 90 PRO CB C 80 30.500 30.500 31.530 -1.030 18547 440 1 1 . 1 1 91 91 ARG N N 81 113.700 113.700 117.986 -4.286 18547 441 1 1 . 1 1 91 91 ARG HA H 81 4.700 4.700 4.226 0.474 18547 442 1 1 . 1 1 91 91 ARG C C 81 176.500 176.500 176.136 0.364 18547 443 1 1 . 1 1 91 91 ARG CA C 81 57.400 57.400 57.150 0.250 18547 444 1 1 . 1 1 91 91 ARG CB C 81 34.200 34.200 31.342 2.858 18547 445 1 1 . 1 1 91 91 ARG H H 81 7.640 7.640 7.577 0.063 18547 446 1 1 . 1 1 92 92 ARG N N 82 121.000 121.000 114.415 6.585 18547 447 1 1 . 1 1 92 92 ARG HA H 82 5.700 5.700 5.398 0.302 18547 448 1 1 . 1 1 92 92 ARG C C 82 172.700 172.700 174.242 -1.542 18547 449 1 1 . 1 1 92 92 ARG CA C 82 55.900 55.900 55.356 0.544 18547 450 1 1 . 1 1 92 92 ARG CB C 82 34.100 34.100 33.715 0.385 18547 451 1 1 . 1 1 92 92 ARG H H 82 7.710 7.710 8.020 -0.310 18547 452 1 1 . 1 1 93 93 LEU N N 83 130.800 130.800 119.120 11.680 18547 453 1 1 . 1 1 93 93 LEU HA H 83 5.250 5.250 5.262 -0.012 18547 454 1 1 . 1 1 93 93 LEU C C 83 174.000 174.000 175.387 -1.387 18547 455 1 1 . 1 1 93 93 LEU CA C 83 53.700 53.700 53.246 0.454 18547 456 1 1 . 1 1 93 93 LEU CB C 83 47.100 47.100 43.919 3.180 18547 457 1 1 . 1 1 93 93 LEU H H 83 9.080 9.080 8.865 0.215 18547 458 1 1 . 1 1 94 94 THR N N 84 124.200 124.200 117.850 6.350 18547 459 1 1 . 1 1 94 94 THR HA H 84 5.340 5.340 5.009 0.331 18547 460 1 1 . 1 1 94 94 THR C C 84 174.100 174.100 173.635 0.465 18547 461 1 1 . 1 1 94 94 THR CA C 84 62.700 62.700 62.022 0.678 18547 462 1 1 . 1 1 94 94 THR CB C 84 69.600 69.600 70.912 -1.312 18547 463 1 1 . 1 1 94 94 THR H H 84 9.310 9.310 8.703 0.607 18547 464 1 1 . 1 1 95 95 ILE N N 85 121.600 121.600 122.314 -0.714 18547 465 1 1 . 1 1 95 95 ILE HA H 85 5.630 5.630 5.040 0.590 18547 466 1 1 . 1 1 95 95 ILE C C 85 175.000 175.000 173.554 1.446 18547 467 1 1 . 1 1 95 95 ILE CA C 85 59.300 59.300 58.958 0.342 18547 468 1 1 . 1 1 95 95 ILE CB C 85 40.900 40.900 42.129 -1.229 18547 469 1 1 . 1 1 95 95 ILE H H 85 9.700 9.700 9.251 0.449 18547 470 1 1 . 1 1 96 96 SER N N 86 117.900 117.900 117.713 0.187 18547 471 1 1 . 1 1 96 96 SER HA H 86 5.270 5.270 5.057 0.213 18547 472 1 1 . 1 1 96 96 SER C C 86 172.200 172.200 173.412 -1.212 18547 473 1 1 . 1 1 96 96 SER CA C 86 57.600 57.600 57.071 0.529 18547 474 1 1 . 1 1 96 96 SER CB C 86 65.700 65.700 65.290 0.410 18547 475 1 1 . 1 1 96 96 SER H H 86 9.290 9.290 8.699 0.591 18547 476 1 1 . 1 1 97 97 TRP N N 87 120.000 120.000 130.245 -10.245 18547 477 1 1 . 1 1 97 97 TRP HA H 87 5.130 5.130 5.375 -0.245 18547 478 1 1 . 1 1 97 97 TRP C C 87 175.500 175.500 174.112 1.388 18547 479 1 1 . 1 1 97 97 TRP CA C 87 57.900 57.900 55.721 2.179 18547 480 1 1 . 1 1 97 97 TRP CB C 87 31.500 31.500 32.139 -0.639 18547 481 1 1 . 1 1 97 97 TRP H H 87 7.790 7.790 8.646 -0.856 18547 482 1 1 . 1 1 98 98 VAL N N 88 132.200 132.200 129.544 2.656 18547 483 1 1 . 1 1 98 98 VAL HA H 88 4.460 4.460 4.304 0.156 18547 484 1 1 . 1 1 98 98 VAL C C 88 175.100 175.100 174.165 0.935 18547 485 1 1 . 1 1 98 98 VAL CA C 88 62.000 62.000 60.987 1.013 18547 486 1 1 . 1 1 98 98 VAL CB C 88 32.500 32.500 31.211 1.289 18547 487 1 1 . 1 1 98 98 VAL H H 88 9.620 9.620 8.564 1.056 18547 488 1 1 . 1 1 99 99 TYR N N 89 130.300 130.300 129.554 0.746 18547 489 1 1 . 1 1 99 99 TYR HA H 89 4.440 4.440 4.478 -0.038 18547 490 1 1 . 1 1 99 99 TYR C C 89 173.900 173.900 175.214 -1.314 18547 491 1 1 . 1 1 99 99 TYR CA C 89 56.800 56.800 56.959 -0.160 18547 492 1 1 . 1 1 99 99 TYR CB C 89 42.100 42.100 40.494 1.606 18547 493 1 1 . 1 1 99 99 TYR H H 89 9.670 9.670 8.374 1.296 18547 494 1 1 . 1 1 100 100 GLU N N 90 127.100 127.100 126.783 0.317 18547 495 1 1 . 1 1 100 100 GLU HA H 90 3.940 3.940 4.028 -0.088 18547 496 1 1 . 1 1 100 100 GLU C C 90 176.700 176.700 177.412 -0.712 18547 497 1 1 . 1 1 100 100 GLU CA C 90 58.300 58.300 57.832 0.468 18547 498 1 1 . 1 1 100 100 GLU CB C 90 29.200 29.200 29.680 -0.480 18547 499 1 1 . 1 1 100 100 GLU H H 90 8.080 8.080 8.463 -0.383 18547 500 1 1 . 1 1 101 101 GLY N N 91 113.100 113.100 114.923 -1.823 18547 501 1 1 . 1 1 101 101 GLY C C 91 173.900 173.900 174.470 -0.570 18547 502 1 1 . 1 1 101 101 GLY CA C 91 45.200 45.200 45.477 -0.277 18547 503 1 1 . 1 1 101 101 GLY H H 91 8.850 8.850 8.719 0.131 18547 504 1 1 . 1 1 102 102 LYS N N 92 120.100 120.100 122.891 -2.791 18547 505 1 1 . 1 1 102 102 LYS HA H 92 4.990 4.990 4.737 0.253 18547 506 1 1 . 1 1 102 102 LYS CA C 92 52.500 52.500 54.752 -2.252 18547 507 1 1 . 1 1 102 102 LYS CB C 92 33.200 33.200 32.562 0.638 18547 508 1 1 . 1 1 102 102 LYS H H 92 8.270 8.270 7.748 0.522 18547 509 1 1 . 1 1 103 103 PRO HA H 93 4.620 4.620 4.474 0.146 18547 510 1 1 . 1 1 103 103 PRO C C 93 176.700 176.700 176.354 0.346 18547 511 1 1 . 1 1 103 103 PRO CA C 93 62.400 62.400 62.508 -0.107 18547 512 1 1 . 1 1 103 103 PRO CB C 93 31.400 31.400 32.361 -0.961 18547 513 1 1 . 1 1 104 104 ASP N N 94 124.500 124.500 116.782 7.718 18547 514 1 1 . 1 1 104 104 ASP HA H 94 4.860 4.860 4.765 0.095 18547 515 1 1 . 1 1 104 104 ASP C C 94 177.100 177.100 176.181 0.919 18547 516 1 1 . 1 1 104 104 ASP CA C 94 55.900 55.900 54.370 1.530 18547 517 1 1 . 1 1 104 104 ASP CB C 94 40.500 40.500 41.966 -1.466 18547 518 1 1 . 1 1 104 104 ASP H H 94 8.850 8.850 8.461 0.389 18547 519 1 1 . 1 1 105 105 SER N N 95 118.600 118.600 113.165 5.435 18547 520 1 1 . 1 1 105 105 SER HA H 95 5.280 5.280 5.241 0.039 18547 521 1 1 . 1 1 105 105 SER C C 95 173.700 173.700 172.572 1.128 18547 522 1 1 . 1 1 105 105 SER CA C 95 57.900 57.900 57.125 0.775 18547 523 1 1 . 1 1 105 105 SER CB C 95 65.600 65.600 67.840 -2.240 18547 524 1 1 . 1 1 105 105 SER H H 95 9.260 9.260 8.258 1.002 18547 525 1 1 . 1 1 106 106 GLU N N 96 124.100 124.100 122.699 1.401 18547 526 1 1 . 1 1 106 106 GLU HA H 96 5.180 5.180 4.906 0.274 18547 527 1 1 . 1 1 106 106 GLU C C 96 172.400 172.400 175.330 -2.930 18547 528 1 1 . 1 1 106 106 GLU CA C 96 57.200 57.200 55.233 1.967 18547 529 1 1 . 1 1 106 106 GLU CB C 96 36.100 36.100 31.906 4.194 18547 530 1 1 . 1 1 106 106 GLU H H 96 8.620 8.620 8.414 0.206 18547 531 1 1 . 1 1 107 107 VAL N N 97 128.100 128.100 127.070 1.030 18547 532 1 1 . 1 1 107 107 VAL HA H 97 4.770 4.770 4.907 -0.137 18547 533 1 1 . 1 1 107 107 VAL C C 97 173.100 173.100 174.459 -1.359 18547 534 1 1 . 1 1 107 107 VAL CA C 97 60.100 60.100 60.683 -0.583 18547 535 1 1 . 1 1 107 107 VAL CB C 97 34.200 34.200 34.448 -0.248 18547 536 1 1 . 1 1 107 107 VAL H H 97 9.180 9.180 8.927 0.253 18547 537 1 1 . 1 1 108 108 GLU N N 98 126.200 126.200 122.505 3.695 18547 538 1 1 . 1 1 108 108 GLU HA H 98 5.580 5.580 5.005 0.575 18547 539 1 1 . 1 1 108 108 GLU C C 98 172.100 172.100 173.962 -1.862 18547 540 1 1 . 1 1 108 108 GLU CA C 98 54.200 54.200 54.303 -0.103 18547 541 1 1 . 1 1 108 108 GLU CB C 98 35.200 35.200 34.035 1.165 18547 542 1 1 . 1 1 108 108 GLU H H 98 9.300 9.300 8.683 0.617 18547 543 1 1 . 1 1 109 109 LEU N N 99 128.600 128.600 122.490 6.110 18547 544 1 1 . 1 1 109 109 LEU HA H 99 5.080 5.080 5.004 0.076 18547 545 1 1 . 1 1 109 109 LEU C C 99 175.100 175.100 174.603 0.497 18547 546 1 1 . 1 1 109 109 LEU CA C 99 52.700 52.700 53.661 -0.961 18547 547 1 1 . 1 1 109 109 LEU CB C 99 46.400 46.400 45.357 1.043 18547 548 1 1 . 1 1 109 109 LEU H H 99 9.330 9.330 8.408 0.922 18547 549 1 1 . 1 1 110 110 ARG N N 100 124.700 124.700 125.904 -1.204 18547 550 1 1 . 1 1 110 110 ARG HA H 100 5.390 5.390 5.138 0.252 18547 551 1 1 . 1 1 110 110 ARG C C 100 175.400 175.400 173.671 1.729 18547 552 1 1 . 1 1 110 110 ARG CA C 100 54.600 54.600 54.887 -0.287 18547 553 1 1 . 1 1 110 110 ARG CB C 100 34.100 34.100 34.629 -0.529 18547 554 1 1 . 1 1 110 110 ARG H H 100 9.430 9.430 8.818 0.612 18547 555 1 1 . 1 1 111 111 LEU N N 101 122.900 122.900 126.374 -3.474 18547 556 1 1 . 1 1 111 111 LEU HA H 101 5.620 5.620 5.320 0.300 18547 557 1 1 . 1 1 111 111 LEU C C 101 177.100 177.100 174.819 2.281 18547 558 1 1 . 1 1 111 111 LEU CA C 101 53.000 53.000 53.762 -0.762 18547 559 1 1 . 1 1 111 111 LEU CB C 101 44.900 44.900 45.929 -1.029 18547 560 1 1 . 1 1 111 111 LEU H H 101 9.120 9.120 8.855 0.265 18547 561 1 1 . 1 1 112 112 SER N N 102 113.800 113.800 117.048 -3.248 18547 562 1 1 . 1 1 112 112 SER HA H 102 4.690 4.690 4.688 0.002 18547 563 1 1 . 1 1 112 112 SER C C 102 172.700 172.700 173.224 -0.524 18547 564 1 1 . 1 1 112 112 SER CA C 102 57.000 57.000 56.477 0.523 18547 565 1 1 . 1 1 112 112 SER CB C 102 65.700 65.700 65.271 0.429 18547 566 1 1 . 1 1 112 112 SER H H 102 8.770 8.770 8.243 0.527 18547 567 1 1 . 1 1 113 113 GLU N N 103 123.400 123.400 127.395 -3.995 18547 568 1 1 . 1 1 113 113 GLU HA H 103 4.440 4.440 4.134 0.306 18547 569 1 1 . 1 1 113 113 GLU C C 103 176.600 176.600 176.056 0.544 18547 570 1 1 . 1 1 113 113 GLU CA C 103 57.500 57.500 57.110 0.390 18547 571 1 1 . 1 1 113 113 GLU CB C 103 30.200 30.200 30.247 -0.047 18547 572 1 1 . 1 1 113 113 GLU H H 103 9.200 9.200 8.838 0.362 18547 573 1 1 . 1 1 114 114 GLU N N 104 126.500 126.500 124.953 1.547 18547 574 1 1 . 1 1 114 114 GLU HA H 104 4.450 4.450 4.495 -0.045 18547 575 1 1 . 1 1 114 114 GLU C C 104 175.600 175.600 175.626 -0.026 18547 576 1 1 . 1 1 114 114 GLU CA C 104 55.700 55.700 55.804 -0.104 18547 577 1 1 . 1 1 114 114 GLU CB C 104 31.300 31.300 30.699 0.601 18547 578 1 1 . 1 1 114 114 GLU H H 104 8.110 8.110 8.257 -0.147 18547 579 1 1 . 1 1 115 115 GLY N N 105 118.000 118.000 114.632 3.368 18547 580 1 1 . 1 1 115 115 GLY C C 105 174.700 174.700 174.061 0.639 18547 581 1 1 . 1 1 115 115 GLY CA C 105 47.100 47.100 46.518 0.582 18547 582 1 1 . 1 1 115 115 GLY H H 105 9.030 9.030 8.457 0.573 18547 583 1 1 . 1 1 116 116 ASP N N 106 126.200 126.200 126.825 -0.625 18547 584 1 1 . 1 1 116 116 ASP HA H 106 4.750 4.750 4.773 -0.023 18547 585 1 1 . 1 1 116 116 ASP C C 106 175.600 175.600 175.341 0.259 18547 586 1 1 . 1 1 116 116 ASP CA C 106 54.300 54.300 53.532 0.768 18547 587 1 1 . 1 1 116 116 ASP CB C 106 40.800 40.800 40.781 0.019 18547 588 1 1 . 1 1 116 116 ASP H H 106 8.800 8.800 8.496 0.304 18547 589 1 1 . 1 1 117 117 GLY N N 107 109.500 109.500 105.959 3.541 18547 590 1 1 . 1 1 117 117 GLY C C 107 174.400 174.400 172.088 2.312 18547 591 1 1 . 1 1 117 117 GLY CA C 107 44.800 44.800 45.416 -0.616 18547 592 1 1 . 1 1 117 117 GLY H H 107 8.040 8.040 7.369 0.671 18547 593 1 1 . 1 1 118 118 THR N N 108 120.400 120.400 115.096 5.304 18547 594 1 1 . 1 1 118 118 THR HA H 108 4.970 4.970 4.811 0.159 18547 595 1 1 . 1 1 118 118 THR C C 108 173.000 173.000 172.778 0.222 18547 596 1 1 . 1 1 118 118 THR CA C 108 63.500 63.500 62.017 1.484 18547 597 1 1 . 1 1 118 118 THR CB C 108 73.000 73.000 72.235 0.765 18547 598 1 1 . 1 1 118 118 THR H H 108 9.010 9.010 8.580 0.430 18547 599 1 1 . 1 1 119 119 LEU N N 109 129.000 129.000 129.323 -0.323 18547 600 1 1 . 1 1 119 119 LEU HA H 109 4.790 4.790 4.508 0.282 18547 601 1 1 . 1 1 119 119 LEU C C 109 173.500 173.500 174.495 -0.995 18547 602 1 1 . 1 1 119 119 LEU CA C 109 54.300 54.300 54.299 0.001 18547 603 1 1 . 1 1 119 119 LEU CB C 109 42.900 42.900 42.750 0.150 18547 604 1 1 . 1 1 119 119 LEU H H 109 9.410 9.410 8.773 0.637 18547 605 1 1 . 1 1 120 120 LEU N N 110 132.200 132.200 130.121 2.079 18547 606 1 1 . 1 1 120 120 LEU HA H 110 4.820 4.820 4.811 0.009 18547 607 1 1 . 1 1 120 120 LEU C C 110 174.100 174.100 175.154 -1.054 18547 608 1 1 . 1 1 120 120 LEU CA C 110 54.900 54.900 54.547 0.353 18547 609 1 1 . 1 1 120 120 LEU CB C 110 45.300 45.300 43.776 1.524 18547 610 1 1 . 1 1 120 120 LEU H H 110 9.430 9.430 8.600 0.830 18547 611 1 1 . 1 1 121 121 GLU N N 111 125.800 125.800 125.983 -0.183 18547 612 1 1 . 1 1 121 121 GLU HA H 111 5.530 5.530 4.867 0.663 18547 613 1 1 . 1 1 121 121 GLU C C 111 173.500 173.500 174.626 -1.126 18547 614 1 1 . 1 1 121 121 GLU CA C 111 54.500 54.500 54.820 -0.320 18547 615 1 1 . 1 1 121 121 GLU CB C 111 33.100 33.100 31.547 1.553 18547 616 1 1 . 1 1 121 121 GLU H H 111 8.970 8.970 9.008 -0.038 18547 617 1 1 . 1 1 122 122 LEU N N 112 127.300 127.300 127.415 -0.115 18547 618 1 1 . 1 1 122 122 LEU HA H 112 5.030 5.030 5.104 -0.074 18547 619 1 1 . 1 1 122 122 LEU C C 112 173.700 173.700 174.202 -0.502 18547 620 1 1 . 1 1 122 122 LEU CA C 112 53.200 53.200 53.297 -0.097 18547 621 1 1 . 1 1 122 122 LEU CB C 112 45.400 45.400 45.288 0.112 18547 622 1 1 . 1 1 122 122 LEU H H 112 8.950 8.950 8.734 0.216 18547 623 1 1 . 1 1 123 123 GLU N N 113 127.900 127.900 127.422 0.478 18547 624 1 1 . 1 1 123 123 GLU HA H 113 5.750 5.750 5.288 0.462 18547 625 1 1 . 1 1 123 123 GLU C C 113 174.200 174.200 174.262 -0.062 18547 626 1 1 . 1 1 123 123 GLU CA C 113 52.900 52.900 53.960 -1.060 18547 627 1 1 . 1 1 123 123 GLU CB C 113 33.300 33.300 33.735 -0.435 18547 628 1 1 . 1 1 123 123 GLU H H 113 9.350 9.350 8.619 0.731 18547 629 1 1 . 1 1 124 124 HIS N N 114 128.200 128.200 125.735 2.465 18547 630 1 1 . 1 1 124 124 HIS HA H 114 5.240 5.240 4.746 0.494 18547 631 1 1 . 1 1 124 124 HIS C C 114 173.900 173.900 172.734 1.166 18547 632 1 1 . 1 1 124 124 HIS CA C 114 54.300 54.300 54.649 -0.349 18547 633 1 1 . 1 1 124 124 HIS CB C 114 34.600 34.600 33.284 1.316 18547 634 1 1 . 1 1 124 124 HIS H H 114 8.770 8.770 8.639 0.131 18547 635 1 1 . 1 1 125 125 ALA N N 115 128.600 128.600 131.484 -2.884 18547 636 1 1 . 1 1 125 125 ALA HA H 115 5.150 5.150 5.376 -0.226 18547 637 1 1 . 1 1 125 125 ALA C C 115 175.400 175.400 175.953 -0.553 18547 638 1 1 . 1 1 125 125 ALA CA C 115 50.100 50.100 50.302 -0.202 18547 639 1 1 . 1 1 125 125 ALA CB C 115 22.500 22.500 20.710 1.790 18547 640 1 1 . 1 1 125 125 ALA H H 115 9.360 9.360 8.265 1.095 18547 641 1 1 . 1 1 126 126 THR N N 116 115.800 115.800 119.970 -4.170 18547 642 1 1 . 1 1 126 126 THR HA H 116 4.960 4.960 4.965 -0.005 18547 643 1 1 . 1 1 126 126 THR C C 116 172.200 172.200 175.970 -3.770 18547 644 1 1 . 1 1 126 126 THR CA C 116 58.800 58.800 59.513 -0.713 18547 645 1 1 . 1 1 126 126 THR CB C 116 69.200 69.200 71.772 -2.572 18547 646 1 1 . 1 1 126 126 THR H H 116 8.760 8.760 8.146 0.614 18547 647 1 1 . 1 1 127 127 THR N N 117 116.000 116.000 116.833 -0.833 18547 648 1 1 . 1 1 127 127 THR HA H 117 4.390 4.390 4.279 0.111 18547 649 1 1 . 1 1 127 127 THR C C 117 174.400 174.400 175.003 -0.603 18547 650 1 1 . 1 1 127 127 THR CA C 117 62.900 62.900 64.007 -1.107 18547 651 1 1 . 1 1 127 127 THR CB C 117 68.800 68.800 68.708 0.092 18547 652 1 1 . 1 1 127 127 THR H H 117 8.460 8.460 8.986 -0.526 18547 653 1 1 . 1 1 128 128 SER N N 118 116.400 116.400 117.852 -1.452 18547 654 1 1 . 1 1 128 128 SER HA H 118 4.890 4.890 4.555 0.335 18547 655 1 1 . 1 1 128 128 SER C C 118 174.700 174.700 174.941 -0.241 18547 656 1 1 . 1 1 128 128 SER CA C 118 55.400 55.400 56.653 -1.253 18547 657 1 1 . 1 1 128 128 SER CB C 118 63.000 63.000 64.044 -1.044 18547 658 1 1 . 1 1 128 128 SER H H 118 7.730 7.730 7.610 0.120 18547 659 1 1 . 1 1 129 129 GLU N N 119 130.300 130.300 129.314 0.986 18547 660 1 1 . 1 1 129 129 GLU HA H 119 3.940 3.940 3.977 -0.037 18547 661 1 1 . 1 1 129 129 GLU C C 119 178.400 178.400 178.153 0.247 18547 662 1 1 . 1 1 129 129 GLU CA C 119 59.900 59.900 59.392 0.508 18547 663 1 1 . 1 1 129 129 GLU CB C 119 29.700 29.700 29.662 0.038 18547 664 1 1 . 1 1 129 129 GLU H H 119 9.000 9.000 9.153 -0.153 18547 665 1 1 . 1 1 130 130 GLN N N 120 117.300 117.300 118.335 -1.035 18547 666 1 1 . 1 1 130 130 GLN HA H 120 4.120 4.120 4.050 0.070 18547 667 1 1 . 1 1 130 130 GLN C C 120 177.900 177.900 178.449 -0.549 18547 668 1 1 . 1 1 130 130 GLN CA C 120 58.400 58.400 58.424 -0.024 18547 669 1 1 . 1 1 130 130 GLN CB C 120 28.000 28.000 28.547 -0.547 18547 670 1 1 . 1 1 130 130 GLN H H 120 8.410 8.410 8.090 0.320 18547 671 1 1 . 1 1 131 131 MET N N 121 118.300 118.300 119.846 -1.546 18547 672 1 1 . 1 1 131 131 MET HA H 121 4.240 4.240 4.124 0.116 18547 673 1 1 . 1 1 131 131 MET C C 121 176.400 176.400 177.837 -1.437 18547 674 1 1 . 1 1 131 131 MET CA C 121 57.300 57.300 58.538 -1.238 18547 675 1 1 . 1 1 131 131 MET CB C 121 32.400 32.400 32.649 -0.249 18547 676 1 1 . 1 1 131 131 MET H H 121 7.640 7.640 7.570 0.070 18547 677 1 1 . 1 1 132 132 LEU N N 122 118.700 118.700 119.583 -0.883 18547 678 1 1 . 1 1 132 132 LEU HA H 122 3.630 3.630 3.803 -0.173 18547 679 1 1 . 1 1 132 132 LEU C C 122 177.100 177.100 179.153 -2.053 18547 680 1 1 . 1 1 132 132 LEU CA C 122 58.300 58.300 57.715 0.585 18547 681 1 1 . 1 1 132 132 LEU CB C 122 41.900 41.900 41.478 0.422 18547 682 1 1 . 1 1 132 132 LEU H H 122 7.470 7.470 7.850 -0.380 18547 683 1 1 . 1 1 133 133 VAL N N 123 114.600 114.600 118.825 -4.225 18547 684 1 1 . 1 1 133 133 VAL HA H 123 3.360 3.360 3.594 -0.234 18547 685 1 1 . 1 1 133 133 VAL C C 123 176.700 176.700 177.723 -1.023 18547 686 1 1 . 1 1 133 133 VAL CA C 123 66.600 66.600 67.257 -0.657 18547 687 1 1 . 1 1 133 133 VAL CB C 123 31.800 31.800 31.515 0.285 18547 688 1 1 . 1 1 133 133 VAL H H 123 7.040 7.040 7.516 -0.476 18547 689 1 1 . 1 1 134 134 GLU N N 124 116.700 116.700 119.926 -3.226 18547 690 1 1 . 1 1 134 134 GLU HA H 124 3.900 3.900 3.905 -0.005 18547 691 1 1 . 1 1 134 134 GLU C C 124 180.700 180.700 178.822 1.878 18547 692 1 1 . 1 1 134 134 GLU CA C 124 59.300 59.300 59.529 -0.229 18547 693 1 1 . 1 1 134 134 GLU CB C 124 29.900 29.900 29.776 0.124 18547 694 1 1 . 1 1 134 134 GLU H H 124 7.200 7.200 7.511 -0.311 18547 695 1 1 . 1 1 135 135 VAL N N 125 114.700 114.700 116.071 -1.371 18547 696 1 1 . 1 1 135 135 VAL HA H 125 3.930 3.930 3.472 0.458 18547 697 1 1 . 1 1 135 135 VAL C C 125 177.900 177.900 177.617 0.283 18547 698 1 1 . 1 1 135 135 VAL CA C 125 63.800 63.800 65.470 -1.670 18547 699 1 1 . 1 1 135 135 VAL CB C 125 30.400 30.400 30.406 -0.006 18547 700 1 1 . 1 1 135 135 VAL H H 125 8.620 8.620 8.136 0.484 18547 701 1 1 . 1 1 136 136 GLY N N 126 112.200 112.200 107.708 4.492 18547 702 1 1 . 1 1 136 136 GLY C C 126 174.800 174.800 175.931 -1.131 18547 703 1 1 . 1 1 136 136 GLY CA C 126 47.200 47.200 46.618 0.582 18547 704 1 1 . 1 1 136 136 GLY H H 126 7.750 7.750 7.431 0.319 18547 705 1 1 . 1 1 137 137 VAL N N 127 119.100 119.100 122.784 -3.684 18547 706 1 1 . 1 1 137 137 VAL HA H 127 3.510 3.510 3.776 -0.266 18547 707 1 1 . 1 1 137 137 VAL C C 127 179.100 179.100 178.034 1.066 18547 708 1 1 . 1 1 137 137 VAL CA C 127 67.400 67.400 65.793 1.607 18547 709 1 1 . 1 1 137 137 VAL CB C 127 32.500 32.500 31.689 0.811 18547 710 1 1 . 1 1 137 137 VAL H H 127 7.680 7.680 7.264 0.416 18547 711 1 1 . 1 1 138 138 GLY N N 128 106.300 106.300 106.815 -0.515 18547 712 1 1 . 1 1 138 138 GLY C C 128 177.900 177.900 175.836 2.064 18547 713 1 1 . 1 1 138 138 GLY CA C 128 47.300 47.300 46.840 0.459 18547 714 1 1 . 1 1 138 138 GLY H H 128 8.210 8.210 7.976 0.234 18547 715 1 1 . 1 1 139 139 TRP N N 129 122.500 122.500 121.875 0.625 18547 716 1 1 . 1 1 139 139 TRP HA H 129 4.890 4.890 4.464 0.426 18547 717 1 1 . 1 1 139 139 TRP C C 129 179.100 179.100 178.356 0.744 18547 718 1 1 . 1 1 139 139 TRP CA C 129 59.800 59.800 59.537 0.263 18547 719 1 1 . 1 1 139 139 TRP CB C 129 30.100 30.100 29.778 0.322 18547 720 1 1 . 1 1 139 139 TRP H H 129 8.880 8.880 8.138 0.742 18547 721 1 1 . 1 1 140 140 GLU N N 130 119.000 119.000 118.714 0.286 18547 722 1 1 . 1 1 140 140 GLU HA H 130 4.020 4.020 4.074 -0.054 18547 723 1 1 . 1 1 140 140 GLU C C 130 179.300 179.300 179.117 0.183 18547 724 1 1 . 1 1 140 140 GLU CA C 130 62.900 62.900 59.246 3.654 18547 725 1 1 . 1 1 140 140 GLU CB C 130 30.600 30.600 29.439 1.161 18547 726 1 1 . 1 1 140 140 GLU H H 130 8.210 8.210 7.976 0.234 18547 727 1 1 . 1 1 141 141 MET N N 131 117.100 117.100 120.508 -3.408 18547 728 1 1 . 1 1 141 141 MET HA H 131 4.330 4.330 4.430 -0.100 18547 729 1 1 . 1 1 141 141 MET C C 131 178.500 178.500 177.479 1.021 18547 730 1 1 . 1 1 141 141 MET CA C 131 57.700 57.700 58.920 -1.220 18547 731 1 1 . 1 1 141 141 MET CB C 131 30.600 30.600 33.076 -2.476 18547 732 1 1 . 1 1 141 141 MET H H 131 8.210 8.210 8.269 -0.059 18547 733 1 1 . 1 1 142 142 ALA N N 132 121.400 121.400 123.067 -1.667 18547 734 1 1 . 1 1 142 142 ALA HA H 132 4.720 4.720 4.856 -0.136 18547 735 1 1 . 1 1 142 142 ALA C C 132 180.900 180.900 180.159 0.741 18547 736 1 1 . 1 1 142 142 ALA CA C 132 55.700 55.700 55.158 0.542 18547 737 1 1 . 1 1 142 142 ALA CB C 132 18.200 18.200 18.953 -0.753 18547 738 1 1 . 1 1 142 142 ALA H H 132 7.910 7.910 7.849 0.061 18547 739 1 1 . 1 1 143 143 LEU N N 133 117.200 117.200 116.890 0.310 18547 740 1 1 . 1 1 143 143 LEU HA H 133 4.150 4.150 4.247 -0.097 18547 741 1 1 . 1 1 143 143 LEU C C 133 180.300 180.300 179.281 1.019 18547 742 1 1 . 1 1 143 143 LEU CA C 133 57.300 57.300 57.109 0.191 18547 743 1 1 . 1 1 143 143 LEU CB C 133 40.600 40.600 40.367 0.233 18547 744 1 1 . 1 1 143 143 LEU H H 133 9.190 9.190 8.558 0.632 18547 745 1 1 . 1 1 144 144 ASP N N 134 122.600 122.600 122.566 0.034 18547 746 1 1 . 1 1 144 144 ASP HA H 134 4.580 4.580 4.423 0.157 18547 747 1 1 . 1 1 144 144 ASP C C 134 179.900 179.900 178.742 1.158 18547 748 1 1 . 1 1 144 144 ASP CA C 134 57.800 57.800 57.767 0.033 18547 749 1 1 . 1 1 144 144 ASP CB C 134 39.800 39.800 40.590 -0.790 18547 750 1 1 . 1 1 144 144 ASP H H 134 7.930 7.930 7.933 -0.003 18547 751 1 1 . 1 1 145 145 PHE N N 135 119.300 119.300 118.608 0.692 18547 752 1 1 . 1 1 145 145 PHE HA H 135 4.580 4.580 4.483 0.097 18547 753 1 1 . 1 1 145 145 PHE C C 135 178.000 178.000 178.467 -0.467 18547 754 1 1 . 1 1 145 145 PHE CA C 135 61.700 61.700 60.565 1.135 18547 755 1 1 . 1 1 145 145 PHE CB C 135 39.400 39.400 38.572 0.828 18547 756 1 1 . 1 1 145 145 PHE H H 135 7.690 7.690 7.685 0.005 18547 757 1 1 . 1 1 146 146 LEU N N 136 124.400 124.400 121.339 3.061 18547 758 1 1 . 1 1 146 146 LEU HA H 136 3.200 3.200 4.203 -1.003 18547 759 1 1 . 1 1 146 146 LEU C C 136 178.800 178.800 178.319 0.481 18547 760 1 1 . 1 1 146 146 LEU CA C 136 58.400 58.400 56.647 1.753 18547 761 1 1 . 1 1 146 146 LEU CB C 136 38.800 38.800 40.971 -2.171 18547 762 1 1 . 1 1 146 146 LEU H H 136 7.930 7.930 8.618 -0.688 18547 763 1 1 . 1 1 147 147 GLY N N 137 104.200 104.200 107.295 -3.095 18547 764 1 1 . 1 1 147 147 GLY C C 137 176.100 176.100 176.079 0.021 18547 765 1 1 . 1 1 147 147 GLY CA C 137 47.900 47.900 47.504 0.397 18547 766 1 1 . 1 1 147 147 GLY H H 137 8.340 8.340 8.091 0.249 18547 767 1 1 . 1 1 148 148 MET N N 138 119.300 119.300 120.857 -1.557 18547 768 1 1 . 1 1 148 148 MET HA H 138 4.090 4.090 4.254 -0.164 18547 769 1 1 . 1 1 148 148 MET C C 138 177.700 177.700 178.333 -0.633 18547 770 1 1 . 1 1 148 148 MET CA C 138 59.400 59.400 59.205 0.196 18547 771 1 1 . 1 1 148 148 MET CB C 138 34.500 34.500 32.741 1.759 18547 772 1 1 . 1 1 148 148 MET H H 138 7.550 7.550 7.876 -0.326 18547 773 1 1 . 1 1 149 149 PHE N N 139 120.400 120.400 119.860 0.540 18547 774 1 1 . 1 1 149 149 PHE HA H 139 4.380 4.380 4.331 0.049 18547 775 1 1 . 1 1 149 149 PHE C C 139 179.100 179.100 176.738 2.362 18547 776 1 1 . 1 1 149 149 PHE CA C 139 60.800 60.800 60.537 0.263 18547 777 1 1 . 1 1 149 149 PHE CB C 139 39.200 39.200 39.453 -0.253 18547 778 1 1 . 1 1 149 149 PHE H H 139 8.600 8.600 7.909 0.691 18547 779 1 1 . 1 1 150 150 ILE N N 140 121.300 121.300 117.839 3.461 18547 780 1 1 . 1 1 150 150 ILE HA H 140 3.420 3.420 3.615 -0.195 18547 781 1 1 . 1 1 150 150 ILE C C 140 177.500 177.500 176.656 0.844 18547 782 1 1 . 1 1 150 150 ILE CA C 140 63.100 63.100 63.045 0.055 18547 783 1 1 . 1 1 150 150 ILE CB C 140 37.100 37.100 38.028 -0.928 18547 784 1 1 . 1 1 150 150 ILE H H 140 8.780 8.780 8.022 0.758 18547 785 1 1 . 1 1 151 151 ARG N N 141 116.500 116.500 119.423 -2.923 18547 786 1 1 . 1 1 151 151 ARG HA H 141 4.220 4.220 4.501 -0.281 18547 787 1 1 . 1 1 151 151 ARG C C 141 176.700 176.700 174.903 1.797 18547 788 1 1 . 1 1 151 151 ARG CA C 141 57.500 57.500 55.388 2.112 18547 789 1 1 . 1 1 151 151 ARG CB C 141 31.500 31.500 31.431 0.069 18547 790 1 1 . 1 1 151 151 ARG H H 141 7.730 7.730 7.801 -0.071 18547 791 1 1 . 1 1 152 152 GLY N N 142 106.800 106.800 112.254 -5.454 18547 792 1 1 . 1 1 152 152 GLY C C 142 174.900 174.900 173.525 1.375 18547 793 1 1 . 1 1 152 152 GLY CA C 142 45.700 45.700 45.978 -0.278 18547 794 1 1 . 1 1 152 152 GLY H H 142 7.570 7.570 8.464 -0.894 18547 795 1 1 . 1 1 153 153 ASP N N 143 119.400 119.400 119.256 0.144 18547 796 1 1 . 1 1 153 153 ASP HA H 143 4.780 4.780 4.638 0.142 18547 797 1 1 . 1 1 153 153 ASP C C 143 175.400 175.400 173.671 1.729 18547 798 1 1 . 1 1 153 153 ASP CA C 143 54.200 54.200 55.075 -0.875 18547 799 1 1 . 1 1 153 153 ASP CB C 143 42.100 42.100 41.836 0.264 18547 800 1 1 . 1 1 153 153 ASP H H 143 8.290 8.290 8.260 0.030 18547 801 1 1 . 1 1 154 154 LEU N N 144 121.300 121.300 125.757 -4.457 18547 802 1 1 . 1 1 154 154 LEU HA H 144 4.810 4.810 4.880 -0.070 18547 803 1 1 . 1 1 154 154 LEU CA C 144 52.800 52.800 53.362 -0.562 18547 804 1 1 . 1 1 154 154 LEU CB C 144 42.500 42.500 42.856 -0.356 18547 805 1 1 . 1 1 154 154 LEU H H 144 8.010 8.010 8.426 -0.416 18547 806 1 1 . 1 1 155 155 PRO HA H 145 4.480 4.480 4.636 -0.156 18547 807 1 1 . 1 1 155 155 PRO C C 145 177.600 177.600 176.735 0.865 18547 808 1 1 . 1 1 155 155 PRO CA C 145 63.500 63.500 63.271 0.229 18547 809 1 1 . 1 1 155 155 PRO CB C 145 32.200 32.200 32.663 -0.463 18547 810 1 1 . 1 1 156 156 GLY N N 146 108.900 108.900 107.456 1.444 18547 811 1 1 . 1 1 156 156 GLY C C 146 174.300 174.300 174.224 0.076 18547 812 1 1 . 1 1 156 156 GLY CA C 146 45.100 45.100 44.928 0.172 18547 813 1 1 . 1 1 156 156 GLY H H 146 8.530 8.530 7.594 0.936 18547 814 1 1 . 1 1 157 157 GLY N N 147 108.800 108.800 110.982 -2.182 18547 815 1 1 . 1 1 157 157 GLY CA C 147 44.500 44.500 44.366 0.134 18547 816 1 1 . 1 1 157 157 GLY H H 147 8.080 8.080 8.308 -0.228 18547 817 1 1 . 1 1 158 158 PRO HA H 148 4.440 4.440 4.307 0.133 18547 818 1 1 . 1 1 158 158 PRO C C 148 176.800 176.800 176.073 0.727 18547 819 1 1 . 1 1 158 158 PRO CA C 148 63.000 63.000 64.139 -1.139 18547 820 1 1 . 1 1 158 158 PRO CB C 148 32.100 32.100 32.206 -0.106 18547 821 1 1 . 1 1 159 159 VAL N N 149 121.400 121.400 115.090 6.310 18547 822 1 1 . 1 1 159 159 VAL HA H 149 4.390 4.390 4.492 -0.102 18547 823 1 1 . 1 1 159 159 VAL CA C 149 59.800 59.800 58.454 1.346 18547 824 1 1 . 1 1 159 159 VAL CB C 149 32.600 32.600 31.643 0.957 18547 825 1 1 . 1 1 159 159 VAL H H 149 8.220 8.220 7.606 0.614 18547 826 1 1 . 1 1 160 160 PRO HA H 150 4.380 4.380 4.086 0.294 18547 827 1 1 . 1 1 160 160 PRO C C 150 177.200 177.200 176.525 0.675 18547 828 1 1 . 1 1 160 160 PRO CA C 150 63.300 63.300 64.377 -1.077 18547 829 1 1 . 1 1 160 160 PRO CB C 150 32.100 32.100 32.482 -0.382 18547 830 1 1 . 1 1 161 161 GLU N N 151 120.700 120.700 118.705 1.995 18547 831 1 1 . 1 1 161 161 GLU HA H 151 4.170 4.170 4.503 -0.333 18547 832 1 1 . 1 1 161 161 GLU CA C 151 57.400 57.400 56.350 1.050 18547 833 1 1 . 1 1 161 161 GLU CB C 151 29.900 29.900 29.870 0.030 18547 834 1 1 . 1 1 161 161 GLU H H 151 8.620 8.620 8.214 0.406 18547 835 1 1 . 1 1 162 162 ASP N N 152 119.900 119.900 121.501 -1.601 18547 836 1 1 . 1 1 162 162 ASP HA H 152 4.570 4.570 4.734 -0.164 18547 837 1 1 . 1 1 162 162 ASP C C 152 176.000 176.000 175.460 0.540 18547 838 1 1 . 1 1 162 162 ASP CA C 152 54.200 54.200 54.328 -0.128 18547 839 1 1 . 1 1 162 162 ASP CB C 152 41.000 41.000 40.771 0.229 18547 840 1 1 . 1 1 162 162 ASP H H 152 8.250 8.250 8.142 0.108 18547 841 1 1 . 1 1 163 163 ALA N N 153 124.000 124.000 123.242 0.758 18547 842 1 1 . 1 1 163 163 ALA HA H 153 4.270 4.270 4.477 -0.207 18547 843 1 1 . 1 1 163 163 ALA C C 153 177.400 177.400 176.283 1.117 18547 844 1 1 . 1 1 163 163 ALA CA C 153 52.700 52.700 52.259 0.441 18547 845 1 1 . 1 1 163 163 ALA CB C 153 19.200 19.200 20.134 -0.934 18547 846 1 1 . 1 1 163 163 ALA H H 153 8.040 8.040 8.454 -0.414 18547 847 1 1 . 1 1 164 164 ALA N N 154 122.600 122.600 121.282 1.318 18547 848 1 1 . 1 1 164 164 ALA HA H 154 4.260 4.260 4.547 -0.287 18547 849 1 1 . 1 1 164 164 ALA C C 154 177.900 177.900 175.799 2.101 18547 850 1 1 . 1 1 164 164 ALA CA C 154 52.600 52.600 51.964 0.636 18547 851 1 1 . 1 1 164 164 ALA CB C 154 19.300 19.300 19.530 -0.230 18547 852 1 1 . 1 1 164 164 ALA H H 154 8.190 8.190 7.982 0.208 18547 853 1 1 . 1 1 165 165 GLU N N 155 119.400 119.400 125.784 -6.384 18547 854 1 1 . 1 1 165 165 GLU HA H 155 4.220 4.220 4.360 -0.140 18547 855 1 1 . 1 1 165 165 GLU C C 155 176.200 176.200 177.142 -0.942 18547 856 1 1 . 1 1 165 165 GLU CA C 155 56.500 56.500 56.776 -0.276 18547 857 1 1 . 1 1 165 165 GLU CB C 155 30.300 30.300 30.338 -0.038 18547 858 1 1 . 1 1 165 165 GLU H H 155 8.190 8.190 8.607 -0.417 18547 859 1 1 . 1 1 166 166 GLU N N 156 121.000 121.000 120.350 0.650 18547 860 1 1 . 1 1 166 166 GLU HA H 156 4.240 4.240 3.971 0.269 18547 861 1 1 . 1 1 166 166 GLU C C 156 175.800 175.800 176.416 -0.616 18547 862 1 1 . 1 1 166 166 GLU CA C 156 56.300 56.300 58.748 -2.448 18547 863 1 1 . 1 1 166 166 GLU CB C 156 30.300 30.300 29.029 1.271 18547 864 1 1 . 1 1 166 166 GLU H H 156 8.230 8.230 8.937 -0.707 18547 865 1 1 . 1 1 167 167 PHE N N 157 121.400 121.400 121.031 0.369 18547 866 1 1 . 1 1 167 167 PHE HA H 157 4.590 4.590 4.740 -0.150 18547 867 1 1 . 1 1 167 167 PHE C C 157 175.100 175.100 173.777 1.323 18547 868 1 1 . 1 1 167 167 PHE CA C 157 57.700 57.700 58.012 -0.312 18547 869 1 1 . 1 1 167 167 PHE CB C 157 39.900 39.900 39.959 -0.059 18547 870 1 1 . 1 1 167 167 PHE H H 157 8.240 8.240 8.002 0.238 18547 871 1 1 . 1 1 168 168 GLU N N 158 124.400 124.400 127.167 -2.767 18547 872 1 1 . 1 1 168 168 GLU HA H 158 4.600 4.600 4.607 -0.007 18547 873 1 1 . 1 1 168 168 GLU CA C 158 53.700 53.700 52.429 1.271 18547 874 1 1 . 1 1 168 168 GLU CB C 158 30.400 30.400 30.622 -0.223 18547 875 1 1 . 1 1 168 168 GLU H H 158 8.130 8.130 8.306 -0.176 18547 876 1 1 . 1 1 169 169 PRO HA H 159 4.460 4.460 3.952 0.508 18547 877 1 1 . 1 1 169 169 PRO C C 159 176.200 176.200 175.579 0.621 18547 878 1 1 . 1 1 169 169 PRO CA C 159 62.800 62.800 63.791 -0.991 18547 879 1 1 . 1 1 169 169 PRO CB C 159 32.300 32.300 31.233 1.067 18547 880 1 1 . 1 1 170 170 SER N N 160 118.600 118.600 119.818 -1.218 18547 881 1 1 . 1 1 170 170 SER HA H 160 4.780 4.780 4.674 0.106 18547 882 1 1 . 1 1 170 170 SER CA C 160 56.200 56.200 55.670 0.530 18547 883 1 1 . 1 1 170 170 SER CB C 160 63.200 63.200 64.491 -1.291 18547 884 1 1 . 1 1 170 170 SER H H 160 8.290 8.290 7.665 0.625 18547 885 1 1 . 1 1 171 171 PRO HA H 161 4.350 4.350 4.171 0.179 18547 886 1 1 . 1 1 171 171 PRO C C 161 179.400 179.400 178.635 0.765 18547 887 1 1 . 1 1 171 171 PRO CA C 161 65.500 65.500 65.298 0.202 18547 888 1 1 . 1 1 171 171 PRO CB C 161 31.700 31.700 31.969 -0.269 18547 889 1 1 . 1 1 172 172 GLU N N 162 118.300 118.300 118.149 0.151 18547 890 1 1 . 1 1 172 172 GLU HA H 162 4.160 4.160 4.069 0.091 18547 891 1 1 . 1 1 172 172 GLU C C 162 178.300 178.300 178.844 -0.544 18547 892 1 1 . 1 1 172 172 GLU CA C 162 59.300 59.300 59.388 -0.088 18547 893 1 1 . 1 1 172 172 GLU CB C 162 29.400 29.400 29.117 0.283 18547 894 1 1 . 1 1 172 172 GLU H H 162 8.540 8.540 8.863 -0.323 18547 895 1 1 . 1 1 173 173 MET N N 163 119.400 119.400 117.727 1.673 18547 896 1 1 . 1 1 173 173 MET HA H 163 4.260 4.260 4.369 -0.109 18547 897 1 1 . 1 1 173 173 MET C C 163 179.200 179.200 178.861 0.339 18547 898 1 1 . 1 1 173 173 MET CA C 163 58.200 58.200 57.706 0.494 18547 899 1 1 . 1 1 173 173 MET CB C 163 32.500 32.500 31.651 0.849 18547 900 1 1 . 1 1 173 173 MET H H 163 7.830 7.830 7.953 -0.123 18547 901 1 1 . 1 1 174 174 MET N N 164 119.300 119.300 119.250 0.050 18547 902 1 1 . 1 1 174 174 MET HA H 164 4.260 4.260 4.166 0.094 18547 903 1 1 . 1 1 174 174 MET C C 164 178.600 178.600 178.619 -0.019 18547 904 1 1 . 1 1 174 174 MET CA C 164 58.200 58.200 59.935 -1.735 18547 905 1 1 . 1 1 174 174 MET CB C 164 31.900 31.900 32.558 -0.658 18547 906 1 1 . 1 1 174 174 MET H H 164 8.320 8.320 8.568 -0.248 18547 907 1 1 . 1 1 175 175 ARG N N 165 121.200 121.200 119.427 1.773 18547 908 1 1 . 1 1 175 175 ARG HA H 165 4.160 4.160 4.120 0.040 18547 909 1 1 . 1 1 175 175 ARG C C 165 178.800 178.800 178.649 0.151 18547 910 1 1 . 1 1 175 175 ARG CA C 165 59.400 59.400 59.362 0.038 18547 911 1 1 . 1 1 175 175 ARG CB C 165 29.900 29.900 29.529 0.371 18547 912 1 1 . 1 1 175 175 ARG H H 165 8.020 8.020 7.640 0.380 18547 913 1 1 . 1 1 176 176 ILE N N 166 120.500 120.500 120.063 0.437 18547 914 1 1 . 1 1 176 176 ILE HA H 166 3.920 3.920 3.724 0.196 18547 915 1 1 . 1 1 176 176 ILE C C 166 178.500 178.500 178.148 0.352 18547 916 1 1 . 1 1 176 176 ILE CA C 166 64.500 64.500 65.158 -0.658 18547 917 1 1 . 1 1 176 176 ILE CB C 166 37.900 37.900 37.664 0.236 18547 918 1 1 . 1 1 176 176 ILE H H 166 8.110 8.110 8.301 -0.191 18547 919 1 1 . 1 1 177 177 SER N N 167 116.300 116.300 116.270 0.030 18547 920 1 1 . 1 1 177 177 SER HA H 167 4.240 4.240 4.177 0.063 18547 921 1 1 . 1 1 177 177 SER C C 167 177.300 177.300 176.802 0.498 18547 922 1 1 . 1 1 177 177 SER CA C 167 62.500 62.500 61.632 0.868 18547 923 1 1 . 1 1 177 177 SER CB C 167 62.800 62.800 63.092 -0.292 18547 924 1 1 . 1 1 177 177 SER H H 167 8.290 8.290 7.890 0.400 18547 925 1 1 . 1 1 178 178 GLN N N 168 123.300 123.300 122.644 0.656 18547 926 1 1 . 1 1 178 178 GLN HA H 168 4.110 4.110 3.984 0.126 18547 927 1 1 . 1 1 178 178 GLN C C 168 178.600 178.600 178.555 0.045 18547 928 1 1 . 1 1 178 178 GLN CA C 168 59.200 59.200 59.212 -0.012 18547 929 1 1 . 1 1 178 178 GLN CB C 168 28.000 28.000 28.705 -0.705 18547 930 1 1 . 1 1 178 178 GLN H H 168 8.080 8.080 8.190 -0.110 18547 931 1 1 . 1 1 179 179 GLU N N 169 121.200 121.200 118.623 2.577 18547 932 1 1 . 1 1 179 179 GLU HA H 169 4.090 4.090 3.956 0.134 18547 933 1 1 . 1 1 179 179 GLU C C 169 180.500 180.500 179.392 1.108 18547 934 1 1 . 1 1 179 179 GLU CA C 169 59.500 59.500 59.352 0.148 18547 935 1 1 . 1 1 179 179 GLU CB C 169 29.700 29.700 28.987 0.713 18547 936 1 1 . 1 1 179 179 GLU H H 169 8.380 8.380 8.288 0.092 18547 937 1 1 . 1 1 180 180 ARG N N 170 120.800 120.800 117.769 3.031 18547 938 1 1 . 1 1 180 180 ARG HA H 170 4.010 4.010 4.173 -0.163 18547 939 1 1 . 1 1 180 180 ARG C C 170 178.100 178.100 179.102 -1.002 18547 940 1 1 . 1 1 180 180 ARG CA C 170 59.900 59.900 58.529 1.371 18547 941 1 1 . 1 1 180 180 ARG CB C 170 30.600 30.600 29.971 0.628 18547 942 1 1 . 1 1 180 180 ARG H H 170 8.670 8.670 7.861 0.809 18547 943 1 1 . 1 1 181 181 GLY N N 171 108.200 108.200 106.152 2.048 18547 944 1 1 . 1 1 181 181 GLY C C 171 176.600 176.600 176.517 0.083 18547 945 1 1 . 1 1 181 181 GLY CA C 171 47.800 47.800 46.251 1.549 18547 946 1 1 . 1 1 181 181 GLY H H 171 8.550 8.550 8.288 0.262 18547 947 1 1 . 1 1 182 182 GLU N N 172 121.900 121.900 122.487 -0.587 18547 948 1 1 . 1 1 182 182 GLU HA H 172 4.110 4.110 4.106 0.004 18547 949 1 1 . 1 1 182 182 GLU C C 172 179.300 179.300 178.594 0.706 18547 950 1 1 . 1 1 182 182 GLU CA C 172 59.300 59.300 58.998 0.302 18547 951 1 1 . 1 1 182 182 GLU CB C 172 29.300 29.300 29.117 0.183 18547 952 1 1 . 1 1 182 182 GLU H H 172 8.190 8.190 8.377 -0.187 18547 953 1 1 . 1 1 183 183 ALA N N 173 123.500 123.500 122.403 1.097 18547 954 1 1 . 1 1 183 183 ALA HA H 173 4.150 4.150 4.001 0.149 18547 955 1 1 . 1 1 183 183 ALA C C 173 181.500 181.500 179.513 1.987 18547 956 1 1 . 1 1 183 183 ALA CA C 173 55.000 55.000 54.887 0.113 18547 957 1 1 . 1 1 183 183 ALA CB C 173 17.100 17.100 17.945 -0.845 18547 958 1 1 . 1 1 183 183 ALA H H 173 7.800 7.800 7.518 0.282 18547 959 1 1 . 1 1 184 184 TRP N N 174 118.100 118.100 117.804 0.296 18547 960 1 1 . 1 1 184 184 TRP HA H 174 4.540 4.540 4.198 0.342 18547 961 1 1 . 1 1 184 184 TRP C C 174 178.500 178.500 178.423 0.077 18547 962 1 1 . 1 1 184 184 TRP CA C 174 60.600 60.600 59.817 0.783 18547 963 1 1 . 1 1 184 184 TRP CB C 174 30.800 30.800 29.175 1.625 18547 964 1 1 . 1 1 184 184 TRP H H 174 8.400 8.400 7.543 0.857 18547 965 1 1 . 1 1 185 185 ALA N N 175 121.700 121.700 122.214 -0.514 18547 966 1 1 . 1 1 185 185 ALA HA H 175 3.920 3.920 3.778 0.142 18547 967 1 1 . 1 1 185 185 ALA C C 175 179.600 179.600 178.885 0.715 18547 968 1 1 . 1 1 185 185 ALA CA C 175 55.600 55.600 54.677 0.923 18547 969 1 1 . 1 1 185 185 ALA CB C 175 17.900 17.900 17.708 0.192 18547 970 1 1 . 1 1 185 185 ALA H H 175 8.800 8.800 8.016 0.784 18547 971 1 1 . 1 1 186 186 ALA N N 176 119.000 119.000 121.270 -2.270 18547 972 1 1 . 1 1 186 186 ALA HA H 176 4.190 4.190 3.997 0.193 18547 973 1 1 . 1 1 186 186 ALA C C 176 180.300 180.300 179.713 0.587 18547 974 1 1 . 1 1 186 186 ALA CA C 176 54.800 54.800 55.041 -0.242 18547 975 1 1 . 1 1 186 186 ALA CB C 176 17.900 17.900 18.238 -0.338 18547 976 1 1 . 1 1 186 186 ALA H H 176 7.860 7.860 7.550 0.310 18547 977 1 1 . 1 1 187 187 LEU N N 177 118.500 118.500 116.893 1.607 18547 978 1 1 . 1 1 187 187 LEU HA H 177 4.210 4.210 3.960 0.250 18547 979 1 1 . 1 1 187 187 LEU C C 177 179.400 179.400 179.223 0.177 18547 980 1 1 . 1 1 187 187 LEU CA C 177 57.600 57.600 57.517 0.083 18547 981 1 1 . 1 1 187 187 LEU CB C 177 42.700 42.700 42.031 0.669 18547 982 1 1 . 1 1 187 187 LEU H H 177 7.460 7.460 7.987 -0.527 18547 983 1 1 . 1 1 188 188 VAL N N 178 118.500 118.500 118.620 -0.120 18547 984 1 1 . 1 1 188 188 VAL HA H 178 3.660 3.660 3.713 -0.053 18547 985 1 1 . 1 1 188 188 VAL C C 178 177.600 177.600 177.170 0.430 18547 986 1 1 . 1 1 188 188 VAL CA C 178 66.000 66.000 64.828 1.172 18547 987 1 1 . 1 1 188 188 VAL CB C 178 32.400 32.400 31.981 0.419 18547 988 1 1 . 1 1 188 188 VAL H H 178 8.640 8.640 7.440 1.200 18547 989 1 1 . 1 1 189 189 HIS N N 179 116.000 116.000 118.458 -2.458 18547 990 1 1 . 1 1 189 189 HIS HA H 179 4.780 4.780 4.754 0.026 18547 991 1 1 . 1 1 189 189 HIS C C 179 175.300 175.300 176.798 -1.498 18547 992 1 1 . 1 1 189 189 HIS CA C 179 56.200 56.200 58.022 -1.822 18547 993 1 1 . 1 1 189 189 HIS CB C 179 28.500 28.500 29.360 -0.860 18547 994 1 1 . 1 1 189 189 HIS H H 179 8.150 8.150 7.896 0.254 18547 995 1 1 . 1 1 190 190 SER N N 180 115.000 115.000 114.089 0.911 18547 996 1 1 . 1 1 190 190 SER HA H 180 4.480 4.480 4.505 -0.025 18547 997 1 1 . 1 1 190 190 SER C C 180 175.100 175.100 176.338 -1.238 18547 998 1 1 . 1 1 190 190 SER CA C 180 59.500 59.500 60.548 -1.048 18547 999 1 1 . 1 1 190 190 SER CB C 180 64.000 64.000 63.662 0.338 18547 1000 1 1 . 1 1 190 190 SER H H 180 7.820 7.820 7.642 0.178 18547 1001 1 1 . 1 1 191 191 GLY N N 181 111.100 111.100 110.110 0.990 18547 1002 1 1 . 1 1 191 191 GLY C C 181 173.400 173.400 174.744 -1.344 18547 1003 1 1 . 1 1 191 191 GLY CA C 181 45.500 45.500 45.569 -0.069 18547 1004 1 1 . 1 1 191 191 GLY H H 181 8.330 8.330 7.858 0.472 18547 1005 1 2 . 1 1 12 12 ALA N N 2 125.600 125.600 128.261 -2.661 18547 1006 1 2 . 1 1 12 12 ALA HA H 2 4.300 4.300 4.230 0.070 18547 1007 1 2 . 1 1 12 12 ALA C C 2 177.600 177.600 177.066 0.534 18547 1008 1 2 . 1 1 12 12 ALA CA C 2 52.600 52.600 52.417 0.182 18547 1009 1 2 . 1 1 12 12 ALA CB C 2 19.200 19.200 18.717 0.483 18547 1010 1 2 . 1 1 12 12 ALA H H 2 8.380 8.380 8.397 -0.017 18547 1011 1 2 . 1 1 13 13 SER N N 3 115.000 115.000 117.099 -2.099 18547 1012 1 2 . 1 1 13 13 SER HA H 3 4.390 4.390 4.390 0.000 18547 1013 1 2 . 1 1 13 13 SER C C 3 175.100 175.100 174.881 0.219 18547 1014 1 2 . 1 1 13 13 SER CA C 3 58.500 58.500 57.246 1.254 18547 1015 1 2 . 1 1 13 13 SER CB C 3 63.800 63.800 62.345 1.455 18547 1016 1 2 . 1 1 13 13 SER H H 3 8.250 8.250 8.397 -0.147 18547 1017 1 2 . 1 1 14 14 GLY N N 4 110.700 110.700 111.307 -0.607 18547 1018 1 2 . 1 1 14 14 GLY C C 4 174.000 174.000 173.989 0.011 18547 1019 1 2 . 1 1 14 14 GLY CA C 4 45.400 45.400 44.702 0.698 18547 1020 1 2 . 1 1 14 14 GLY H H 4 8.390 8.390 7.971 0.419 18547 1021 1 2 . 1 1 15 15 GLN N N 5 120.100 120.100 125.760 -5.660 18547 1022 1 2 . 1 1 15 15 GLN HA H 5 4.310 4.310 4.173 0.137 18547 1023 1 2 . 1 1 15 15 GLN C C 5 175.500 175.500 175.593 -0.093 18547 1024 1 2 . 1 1 15 15 GLN CA C 5 55.600 55.600 54.105 1.495 18547 1025 1 2 . 1 1 15 15 GLN CB C 5 29.700 29.700 26.745 2.955 18547 1026 1 2 . 1 1 15 15 GLN H H 5 8.190 8.190 8.319 -0.129 18547 1027 1 2 . 1 1 16 16 ALA N N 6 126.000 126.000 129.956 -3.956 18547 1028 1 2 . 1 1 16 16 ALA HA H 6 4.360 4.360 4.320 0.040 18547 1029 1 2 . 1 1 16 16 ALA C C 6 177.300 177.300 176.533 0.767 18547 1030 1 2 . 1 1 16 16 ALA CA C 6 52.300 52.300 51.359 0.941 18547 1031 1 2 . 1 1 16 16 ALA CB C 6 19.200 19.200 18.042 1.158 18547 1032 1 2 . 1 1 16 16 ALA H H 6 8.400 8.400 8.027 0.373 18547 1033 1 2 . 1 1 17 17 THR N N 7 119.200 119.200 121.108 -1.908 18547 1034 1 2 . 1 1 17 17 THR HA H 7 4.370 4.370 4.628 -0.258 18547 1035 1 2 . 1 1 17 17 THR C C 7 173.600 173.600 174.281 -0.681 18547 1036 1 2 . 1 1 17 17 THR CA C 7 63.200 63.200 63.216 -0.016 18547 1037 1 2 . 1 1 17 17 THR CB C 7 70.600 70.600 69.124 1.476 18547 1038 1 2 . 1 1 17 17 THR H H 7 8.180 8.180 7.837 0.343 18547 1039 1 2 . 1 1 18 18 GLU N N 8 127.500 127.500 128.651 -1.151 18547 1040 1 2 . 1 1 18 18 GLU HA H 8 4.540 4.540 4.580 -0.040 18547 1041 1 2 . 1 1 18 18 GLU C C 8 174.200 174.200 175.496 -1.296 18547 1042 1 2 . 1 1 18 18 GLU CA C 8 55.100 55.100 54.926 0.174 18547 1043 1 2 . 1 1 18 18 GLU CB C 8 31.900 31.900 31.599 0.301 18547 1044 1 2 . 1 1 18 18 GLU H H 8 8.810 8.810 8.438 0.372 18547 1045 1 2 . 1 1 19 19 ARG N N 9 122.100 122.100 125.462 -3.362 18547 1046 1 2 . 1 1 19 19 ARG HA H 9 5.060 5.060 4.270 0.790 18547 1047 1 2 . 1 1 19 19 ARG C C 9 175.000 175.000 175.567 -0.567 18547 1048 1 2 . 1 1 19 19 ARG CA C 9 54.800 54.800 56.999 -2.199 18547 1049 1 2 . 1 1 19 19 ARG CB C 9 31.600 31.600 30.454 1.146 18547 1050 1 2 . 1 1 19 19 ARG H H 9 8.070 8.070 8.745 -0.675 18547 1051 1 2 . 1 1 20 20 ALA N N 10 126.300 126.300 127.862 -1.562 18547 1052 1 2 . 1 1 20 20 ALA HA H 10 4.640 4.640 4.688 -0.048 18547 1053 1 2 . 1 1 20 20 ALA C C 10 173.800 173.800 175.040 -1.240 18547 1054 1 2 . 1 1 20 20 ALA CA C 10 51.100 51.100 51.546 -0.446 18547 1055 1 2 . 1 1 20 20 ALA CB C 10 22.800 22.800 22.199 0.601 18547 1056 1 2 . 1 1 20 20 ALA H H 10 9.390 9.390 8.701 0.689 18547 1057 1 2 . 1 1 21 21 LEU N N 11 117.500 117.500 120.100 -2.600 18547 1058 1 2 . 1 1 21 21 LEU HA H 11 5.790 5.790 5.446 0.344 18547 1059 1 2 . 1 1 21 21 LEU C C 11 178.100 178.100 175.719 2.381 18547 1060 1 2 . 1 1 21 21 LEU CA C 11 53.100 53.100 53.888 -0.788 18547 1061 1 2 . 1 1 21 21 LEU CB C 11 45.400 45.400 46.266 -0.866 18547 1062 1 2 . 1 1 21 21 LEU H H 11 8.280 8.280 8.288 -0.008 18547 1063 1 2 . 1 1 22 22 GLY N N 12 113.400 113.400 110.571 2.829 18547 1064 1 2 . 1 1 22 22 GLY C C 12 174.800 174.800 171.791 3.009 18547 1065 1 2 . 1 1 22 22 GLY CA C 12 44.500 44.500 45.709 -1.209 18547 1066 1 2 . 1 1 22 22 GLY H H 12 8.830 8.830 8.950 -0.120 18547 1067 1 2 . 1 1 23 23 ARG N N 13 119.600 119.600 118.045 1.555 18547 1068 1 2 . 1 1 23 23 ARG HA H 13 5.040 5.040 4.680 0.360 18547 1069 1 2 . 1 1 23 23 ARG C C 13 174.900 174.900 174.244 0.656 18547 1070 1 2 . 1 1 23 23 ARG CA C 13 55.800 55.800 55.035 0.765 18547 1071 1 2 . 1 1 23 23 ARG CB C 13 33.600 33.600 33.573 0.027 18547 1072 1 2 . 1 1 23 23 ARG H H 13 8.160 8.160 8.228 -0.068 18547 1073 1 2 . 1 1 24 24 ARG N N 14 121.900 121.900 121.497 0.403 18547 1074 1 2 . 1 1 24 24 ARG HA H 14 4.530 4.530 4.633 -0.103 18547 1075 1 2 . 1 1 24 24 ARG C C 14 174.000 174.000 174.373 -0.373 18547 1076 1 2 . 1 1 24 24 ARG CA C 14 55.200 55.200 55.208 -0.007 18547 1077 1 2 . 1 1 24 24 ARG CB C 14 34.700 34.700 33.261 1.439 18547 1078 1 2 . 1 1 24 24 ARG H H 14 8.780 8.780 8.725 0.055 18547 1079 1 2 . 1 1 25 25 THR N N 15 121.700 121.700 122.459 -0.759 18547 1080 1 2 . 1 1 25 25 THR HA H 15 4.420 4.420 4.433 -0.013 18547 1081 1 2 . 1 1 25 25 THR C C 15 173.700 173.700 174.434 -0.734 18547 1082 1 2 . 1 1 25 25 THR CA C 15 63.600 63.600 63.369 0.231 18547 1083 1 2 . 1 1 25 25 THR CB C 15 68.600 68.600 69.336 -0.736 18547 1084 1 2 . 1 1 25 25 THR H H 15 8.800 8.800 8.445 0.355 18547 1085 1 2 . 1 1 26 26 ILE N N 16 124.200 124.200 121.253 2.947 18547 1086 1 2 . 1 1 26 26 ILE HA H 16 4.940 4.940 4.915 0.025 18547 1087 1 2 . 1 1 26 26 ILE CA C 16 59.300 59.300 56.821 2.479 18547 1088 1 2 . 1 1 26 26 ILE CB C 16 38.200 38.200 39.946 -1.746 18547 1089 1 2 . 1 1 26 26 ILE H H 16 8.420 8.420 8.564 -0.144 18547 1090 1 2 . 1 1 27 27 PRO HA H 17 4.180 4.180 4.241 -0.061 18547 1091 1 2 . 1 1 27 27 PRO C C 17 178.100 178.100 176.775 1.325 18547 1092 1 2 . 1 1 27 27 PRO CA C 17 67.200 67.200 65.512 1.688 18547 1093 1 2 . 1 1 27 27 PRO CB C 17 30.700 30.700 31.273 -0.573 18547 1094 1 2 . 1 1 28 28 ALA N N 18 114.800 114.800 120.121 -5.321 18547 1095 1 2 . 1 1 28 28 ALA HA H 18 4.270 4.270 4.198 0.072 18547 1096 1 2 . 1 1 28 28 ALA C C 18 177.000 177.000 177.627 -0.627 18547 1097 1 2 . 1 1 28 28 ALA CA C 18 53.100 53.100 53.239 -0.139 18547 1098 1 2 . 1 1 28 28 ALA CB C 18 19.500 19.500 19.722 -0.222 18547 1099 1 2 . 1 1 28 28 ALA H H 18 8.060 8.060 8.153 -0.093 18547 1100 1 2 . 1 1 29 29 GLY N N 19 107.100 107.100 105.438 1.662 18547 1101 1 2 . 1 1 29 29 GLY C C 19 171.900 171.900 171.993 -0.093 18547 1102 1 2 . 1 1 29 29 GLY CA C 19 44.000 44.000 44.815 -0.815 18547 1103 1 2 . 1 1 29 29 GLY H H 19 8.140 8.140 7.457 0.683 18547 1104 1 2 . 1 1 30 30 GLU N N 20 120.000 120.000 120.821 -0.821 18547 1105 1 2 . 1 1 30 30 GLU HA H 20 4.320 4.320 4.725 -0.405 18547 1106 1 2 . 1 1 30 30 GLU C C 20 175.600 175.600 175.149 0.451 18547 1107 1 2 . 1 1 30 30 GLU CA C 20 57.300 57.300 56.251 1.049 18547 1108 1 2 . 1 1 30 30 GLU CB C 20 29.100 29.100 30.425 -1.325 18547 1109 1 2 . 1 1 30 30 GLU H H 20 8.380 8.380 8.565 -0.185 18547 1110 1 2 . 1 1 31 31 ALA N N 21 129.500 129.500 125.925 3.575 18547 1111 1 2 . 1 1 31 31 ALA HA H 21 4.610 4.610 4.731 -0.121 18547 1112 1 2 . 1 1 31 31 ALA C C 21 177.200 177.200 175.859 1.341 18547 1113 1 2 . 1 1 31 31 ALA CA C 21 51.200 51.200 51.054 0.146 18547 1114 1 2 . 1 1 31 31 ALA CB C 21 22.500 22.500 22.535 -0.035 18547 1115 1 2 . 1 1 31 31 ALA H H 21 8.660 8.660 8.116 0.544 18547 1116 1 2 . 1 1 32 32 ARG N N 22 120.400 120.400 119.188 1.212 18547 1117 1 2 . 1 1 32 32 ARG HA H 22 4.950 4.950 4.685 0.265 18547 1118 1 2 . 1 1 32 32 ARG C C 22 173.400 173.400 175.603 -2.203 18547 1119 1 2 . 1 1 32 32 ARG CA C 22 55.500 55.500 54.285 1.215 18547 1120 1 2 . 1 1 32 32 ARG CB C 22 32.500 32.500 32.589 -0.089 18547 1121 1 2 . 1 1 32 32 ARG H H 22 8.090 8.090 8.199 -0.109 18547 1122 1 2 . 1 1 33 33 SER N N 23 113.800 113.800 115.260 -1.460 18547 1123 1 2 . 1 1 33 33 SER HA H 23 5.560 5.560 5.495 0.065 18547 1124 1 2 . 1 1 33 33 SER C C 23 174.500 174.500 173.232 1.268 18547 1125 1 2 . 1 1 33 33 SER CA C 23 55.600 55.600 56.683 -1.083 18547 1126 1 2 . 1 1 33 33 SER CB C 23 67.300 67.300 65.492 1.808 18547 1127 1 2 . 1 1 33 33 SER H H 23 8.080 8.080 8.375 -0.295 18547 1128 1 2 . 1 1 34 34 ILE N N 24 112.700 112.700 122.983 -10.283 18547 1129 1 2 . 1 1 34 34 ILE HA H 24 4.950 4.950 4.556 0.394 18547 1130 1 2 . 1 1 34 34 ILE C C 24 175.400 175.400 174.208 1.192 18547 1131 1 2 . 1 1 34 34 ILE CA C 24 58.300 58.300 60.502 -2.203 18547 1132 1 2 . 1 1 34 34 ILE CB C 24 39.900 39.900 38.478 1.421 18547 1133 1 2 . 1 1 34 34 ILE H H 24 7.980 7.980 8.564 -0.584 18547 1134 1 2 . 1 1 35 35 ILE N N 25 121.800 121.800 127.072 -5.272 18547 1135 1 2 . 1 1 35 35 ILE HA H 25 4.960 4.960 5.002 -0.042 18547 1136 1 2 . 1 1 35 35 ILE C C 25 174.800 174.800 175.117 -0.317 18547 1137 1 2 . 1 1 35 35 ILE CA C 25 60.700 60.700 59.395 1.305 18547 1138 1 2 . 1 1 35 35 ILE CB C 25 41.300 41.300 39.396 1.904 18547 1139 1 2 . 1 1 35 35 ILE H H 25 8.960 8.960 8.158 0.802 18547 1140 1 2 . 1 1 36 36 ILE N N 26 127.900 127.900 128.474 -0.574 18547 1141 1 2 . 1 1 36 36 ILE HA H 26 4.770 4.770 4.730 0.040 18547 1142 1 2 . 1 1 36 36 ILE C C 26 175.000 175.000 175.409 -0.409 18547 1143 1 2 . 1 1 36 36 ILE CA C 26 59.900 59.900 60.452 -0.552 18547 1144 1 2 . 1 1 36 36 ILE CB C 26 42.100 42.100 38.016 4.085 18547 1145 1 2 . 1 1 36 36 ILE H H 26 9.210 9.210 8.197 1.013 18547 1146 1 2 . 1 1 37 37 ARG N N 27 124.100 124.100 127.586 -3.486 18547 1147 1 2 . 1 1 37 37 ARG HA H 27 5.850 5.850 5.483 0.367 18547 1148 1 2 . 1 1 37 37 ARG C C 27 176.200 176.200 175.719 0.481 18547 1149 1 2 . 1 1 37 37 ARG CA C 27 54.100 54.100 54.792 -0.692 18547 1150 1 2 . 1 1 37 37 ARG CB C 27 32.900 32.900 33.078 -0.177 18547 1151 1 2 . 1 1 37 37 ARG H H 27 8.670 8.670 8.664 0.006 18547 1152 1 2 . 1 1 38 38 GLN N N 28 122.900 122.900 119.461 3.439 18547 1153 1 2 . 1 1 38 38 GLN HA H 28 4.710 4.710 4.691 0.019 18547 1154 1 2 . 1 1 38 38 GLN C C 28 173.200 173.200 173.952 -0.752 18547 1155 1 2 . 1 1 38 38 GLN CA C 28 54.400 54.400 55.723 -1.323 18547 1156 1 2 . 1 1 38 38 GLN CB C 28 35.200 35.200 32.649 2.551 18547 1157 1 2 . 1 1 38 38 GLN H H 28 9.310 9.310 8.482 0.828 18547 1158 1 2 . 1 1 39 39 ARG N N 29 121.400 121.400 127.526 -6.126 18547 1159 1 2 . 1 1 39 39 ARG HA H 29 5.260 5.260 4.916 0.344 18547 1160 1 2 . 1 1 39 39 ARG C C 29 175.400 175.400 175.840 -0.440 18547 1161 1 2 . 1 1 39 39 ARG CA C 29 55.100 55.100 54.354 0.746 18547 1162 1 2 . 1 1 39 39 ARG CB C 29 32.500 32.500 30.173 2.327 18547 1163 1 2 . 1 1 39 39 ARG H H 29 8.510 8.510 8.122 0.388 18547 1164 1 2 . 1 1 40 40 TYR N N 30 120.000 120.000 124.985 -4.985 18547 1165 1 2 . 1 1 40 40 TYR HA H 30 4.600 4.600 4.408 0.192 18547 1166 1 2 . 1 1 40 40 TYR C C 30 175.600 175.600 174.672 0.928 18547 1167 1 2 . 1 1 40 40 TYR CA C 30 56.900 56.900 58.178 -1.278 18547 1168 1 2 . 1 1 40 40 TYR CB C 30 42.700 42.700 39.475 3.225 18547 1169 1 2 . 1 1 40 40 TYR H H 30 9.140 9.140 8.698 0.442 18547 1170 1 2 . 1 1 41 41 ASP N N 31 126.400 126.400 124.677 1.723 18547 1171 1 2 . 1 1 41 41 ASP HA H 31 4.880 4.880 4.876 0.004 18547 1172 1 2 . 1 1 41 41 ASP C C 31 174.500 174.500 174.784 -0.284 18547 1173 1 2 . 1 1 41 41 ASP CA C 31 53.200 53.200 53.340 -0.140 18547 1174 1 2 . 1 1 41 41 ASP CB C 31 39.200 39.200 40.242 -1.042 18547 1175 1 2 . 1 1 41 41 ASP H H 31 9.140 9.140 8.751 0.389 18547 1176 1 2 . 1 1 42 42 ALA N N 32 123.100 123.100 126.138 -3.038 18547 1177 1 2 . 1 1 42 42 ALA HA H 32 4.690 4.690 4.573 0.117 18547 1178 1 2 . 1 1 42 42 ALA CA C 32 50.100 50.100 50.892 -0.792 18547 1179 1 2 . 1 1 42 42 ALA CB C 32 20.200 20.200 20.274 -0.074 18547 1180 1 2 . 1 1 42 42 ALA H H 32 7.770 7.770 7.867 -0.097 18547 1181 1 2 . 1 1 43 43 PRO HA H 33 4.650 4.650 4.716 -0.066 18547 1182 1 2 . 1 1 43 43 PRO C C 33 178.100 178.100 177.736 0.364 18547 1183 1 2 . 1 1 43 43 PRO CA C 33 62.000 62.000 62.764 -0.764 18547 1184 1 2 . 1 1 43 43 PRO CB C 33 33.000 33.000 33.023 -0.023 18547 1185 1 2 . 1 1 44 44 VAL N N 34 123.500 123.500 122.115 1.385 18547 1186 1 2 . 1 1 44 44 VAL HA H 34 3.960 3.960 3.530 0.430 18547 1187 1 2 . 1 1 44 44 VAL C C 34 177.500 177.500 177.362 0.138 18547 1188 1 2 . 1 1 44 44 VAL CA C 34 66.000 66.000 66.825 -0.825 18547 1189 1 2 . 1 1 44 44 VAL CB C 34 32.000 32.000 31.442 0.558 18547 1190 1 2 . 1 1 44 44 VAL H H 34 8.570 8.570 8.209 0.361 18547 1191 1 2 . 1 1 45 45 ASP N N 35 116.200 116.200 118.896 -2.696 18547 1192 1 2 . 1 1 45 45 ASP HA H 35 4.290 4.290 4.272 0.018 18547 1193 1 2 . 1 1 45 45 ASP C C 35 178.800 178.800 178.673 0.127 18547 1194 1 2 . 1 1 45 45 ASP CA C 35 57.500 57.500 57.733 -0.233 18547 1195 1 2 . 1 1 45 45 ASP CB C 35 40.400 40.400 40.264 0.136 18547 1196 1 2 . 1 1 45 45 ASP H H 35 8.520 8.520 8.645 -0.125 18547 1197 1 2 . 1 1 46 46 GLU N N 36 120.100 120.100 118.760 1.340 18547 1198 1 2 . 1 1 46 46 GLU HA H 36 4.260 4.260 4.235 0.025 18547 1199 1 2 . 1 1 46 46 GLU C C 36 179.000 179.000 179.217 -0.217 18547 1200 1 2 . 1 1 46 46 GLU CA C 36 58.400 58.400 58.556 -0.155 18547 1201 1 2 . 1 1 46 46 GLU CB C 36 29.700 29.700 29.981 -0.281 18547 1202 1 2 . 1 1 46 46 GLU H H 36 7.360 7.360 7.693 -0.333 18547 1203 1 2 . 1 1 47 47 VAL N N 37 121.800 121.800 119.748 2.052 18547 1204 1 2 . 1 1 47 47 VAL HA H 37 3.370 3.370 3.680 -0.310 18547 1205 1 2 . 1 1 47 47 VAL C C 37 177.100 177.100 177.428 -0.328 18547 1206 1 2 . 1 1 47 47 VAL CA C 37 66.900 66.900 66.015 0.885 18547 1207 1 2 . 1 1 47 47 VAL CB C 37 31.000 31.000 31.043 -0.043 18547 1208 1 2 . 1 1 47 47 VAL H H 37 7.680 7.680 7.790 -0.110 18547 1209 1 2 . 1 1 48 48 TRP N N 38 119.800 119.800 122.329 -2.529 18547 1210 1 2 . 1 1 48 48 TRP HA H 38 3.990 3.990 4.437 -0.447 18547 1211 1 2 . 1 1 48 48 TRP C C 38 180.700 180.700 177.477 3.223 18547 1212 1 2 . 1 1 48 48 TRP CA C 38 60.900 60.900 60.207 0.693 18547 1213 1 2 . 1 1 48 48 TRP CB C 38 29.300 29.300 29.925 -0.625 18547 1214 1 2 . 1 1 48 48 TRP H H 38 9.160 9.160 8.902 0.258 18547 1215 1 2 . 1 1 49 49 SER N N 39 116.100 116.100 116.821 -0.721 18547 1216 1 2 . 1 1 49 49 SER HA H 39 4.010 4.010 4.453 -0.443 18547 1217 1 2 . 1 1 49 49 SER C C 39 175.700 175.700 176.741 -1.041 18547 1218 1 2 . 1 1 49 49 SER CA C 39 62.700 62.700 61.941 0.760 18547 1219 1 2 . 1 1 49 49 SER CB C 39 62.700 62.700 62.613 0.087 18547 1220 1 2 . 1 1 49 49 SER H H 39 8.230 8.230 7.897 0.333 18547 1221 1 2 . 1 1 50 50 ALA N N 40 122.300 122.300 123.692 -1.392 18547 1222 1 2 . 1 1 50 50 ALA HA H 40 4.020 4.020 4.304 -0.284 18547 1223 1 2 . 1 1 50 50 ALA C C 40 176.700 176.700 180.049 -3.349 18547 1224 1 2 . 1 1 50 50 ALA CA C 40 55.200 55.200 55.264 -0.064 18547 1225 1 2 . 1 1 50 50 ALA CB C 40 18.800 18.800 18.227 0.573 18547 1226 1 2 . 1 1 50 50 ALA H H 40 7.770 7.770 7.789 -0.019 18547 1227 1 2 . 1 1 51 51 CYS N N 41 109.400 109.400 116.409 -7.009 18547 1228 1 2 . 1 1 51 51 CYS HA H 41 4.510 4.510 4.395 0.115 18547 1229 1 2 . 1 1 51 51 CYS C C 41 172.200 172.200 176.032 -3.832 18547 1230 1 2 . 1 1 51 51 CYS CA C 41 61.100 61.100 62.171 -1.071 18547 1231 1 2 . 1 1 51 51 CYS CB C 41 29.800 29.800 27.370 2.430 18547 1232 1 2 . 1 1 51 51 CYS H H 41 7.080 7.080 8.102 -1.022 18547 1233 1 2 . 1 1 52 52 THR N N 42 100.100 100.100 112.611 -12.511 18547 1234 1 2 . 1 1 52 52 THR HA H 42 4.240 4.240 4.168 0.072 18547 1235 1 2 . 1 1 52 52 THR C C 42 173.500 173.500 174.467 -0.967 18547 1236 1 2 . 1 1 52 52 THR CA C 42 62.200 62.200 62.990 -0.790 18547 1237 1 2 . 1 1 52 52 THR CB C 42 71.800 71.800 69.640 2.160 18547 1238 1 2 . 1 1 52 52 THR H H 42 6.800 6.800 7.426 -0.626 18547 1239 1 2 . 1 1 53 53 ASP N N 43 123.000 123.000 124.972 -1.972 18547 1240 1 2 . 1 1 53 53 ASP HA H 43 5.080 5.080 4.796 0.284 18547 1241 1 2 . 1 1 53 53 ASP CA C 43 50.600 50.600 53.492 -2.892 18547 1242 1 2 . 1 1 53 53 ASP CB C 43 42.000 42.000 41.030 0.970 18547 1243 1 2 . 1 1 53 53 ASP H H 43 8.040 8.040 7.745 0.295 18547 1244 1 2 . 1 1 54 54 PRO HA H 44 3.960 3.960 4.023 -0.063 18547 1245 1 2 . 1 1 54 54 PRO C C 44 176.300 176.300 178.177 -1.877 18547 1246 1 2 . 1 1 54 54 PRO CA C 44 65.900 65.900 65.808 0.091 18547 1247 1 2 . 1 1 54 54 PRO CB C 44 32.700 32.700 32.054 0.646 18547 1248 1 2 . 1 1 55 55 ASN N N 45 112.700 112.700 114.228 -1.528 18547 1249 1 2 . 1 1 55 55 ASN HA H 45 4.520 4.520 4.508 0.012 18547 1250 1 2 . 1 1 55 55 ASN C C 45 175.900 175.900 176.693 -0.793 18547 1251 1 2 . 1 1 55 55 ASN CA C 45 55.100 55.100 55.348 -0.248 18547 1252 1 2 . 1 1 55 55 ASN CB C 45 38.900 38.900 38.546 0.354 18547 1253 1 2 . 1 1 55 55 ASN H H 45 8.160 8.160 8.642 -0.482 18547 1254 1 2 . 1 1 56 56 ARG N N 46 117.700 117.700 117.868 -0.168 18547 1255 1 2 . 1 1 56 56 ARG HA H 46 4.250 4.250 4.435 -0.185 18547 1256 1 2 . 1 1 56 56 ARG C C 46 177.100 177.100 178.596 -1.496 18547 1257 1 2 . 1 1 56 56 ARG CA C 46 58.400 58.400 57.231 1.169 18547 1258 1 2 . 1 1 56 56 ARG CB C 46 31.800 31.800 30.887 0.913 18547 1259 1 2 . 1 1 56 56 ARG H H 46 7.940 7.940 7.858 0.082 18547 1260 1 2 . 1 1 57 57 ILE N N 47 120.100 120.100 120.933 -0.833 18547 1261 1 2 . 1 1 57 57 ILE HA H 47 3.420 3.420 3.368 0.052 18547 1262 1 2 . 1 1 57 57 ILE C C 47 177.400 177.400 176.452 0.948 18547 1263 1 2 . 1 1 57 57 ILE CA C 47 64.400 64.400 64.627 -0.227 18547 1264 1 2 . 1 1 57 57 ILE CB C 47 39.500 39.500 37.591 1.909 18547 1265 1 2 . 1 1 57 57 ILE H H 47 8.610 8.610 7.913 0.697 18547 1266 1 2 . 1 1 58 58 ASN N N 48 112.100 112.100 115.540 -3.440 18547 1267 1 2 . 1 1 58 58 ASN HA H 48 3.780 3.780 4.245 -0.465 18547 1268 1 2 . 1 1 58 58 ASN C C 48 175.300 175.300 176.123 -0.823 18547 1269 1 2 . 1 1 58 58 ASN CA C 48 54.400 54.400 54.366 0.034 18547 1270 1 2 . 1 1 58 58 ASN CB C 48 38.200 38.200 37.697 0.503 18547 1271 1 2 . 1 1 58 58 ASN H H 48 7.440 7.440 7.820 -0.380 18547 1272 1 2 . 1 1 59 59 ARG N N 49 115.600 115.600 119.950 -4.350 18547 1273 1 2 . 1 1 59 59 ARG HA H 49 4.120 4.120 4.204 -0.084 18547 1274 1 2 . 1 1 59 59 ARG C C 49 174.700 174.700 176.656 -1.956 18547 1275 1 2 . 1 1 59 59 ARG CA C 49 55.900 55.900 57.622 -1.722 18547 1276 1 2 . 1 1 59 59 ARG CB C 49 29.900 29.900 30.528 -0.628 18547 1277 1 2 . 1 1 59 59 ARG H H 49 7.370 7.370 7.394 -0.024 18547 1278 1 2 . 1 1 60 60 TRP N N 50 112.500 112.500 115.576 -3.076 18547 1279 1 2 . 1 1 60 60 TRP HA H 50 4.860 4.860 4.548 0.312 18547 1280 1 2 . 1 1 60 60 TRP C C 50 173.400 173.400 175.168 -1.768 18547 1281 1 2 . 1 1 60 60 TRP CA C 50 55.800 55.800 56.910 -1.110 18547 1282 1 2 . 1 1 60 60 TRP CB C 50 31.500 31.500 29.992 1.508 18547 1283 1 2 . 1 1 60 60 TRP H H 50 6.860 6.860 7.131 -0.271 18547 1284 1 2 . 1 1 61 61 PHE N N 51 126.400 126.400 119.320 7.080 18547 1285 1 2 . 1 1 61 61 PHE HA H 51 4.690 4.690 4.589 0.101 18547 1286 1 2 . 1 1 61 61 PHE C C 51 173.000 173.000 173.643 -0.643 18547 1287 1 2 . 1 1 61 61 PHE CA C 51 55.000 55.000 57.032 -2.032 18547 1288 1 2 . 1 1 61 61 PHE CB C 51 37.600 37.600 40.899 -3.299 18547 1289 1 2 . 1 1 61 61 PHE H H 51 7.830 7.830 7.414 0.416 18547 1290 1 2 . 1 1 62 62 ILE N N 52 126.800 126.800 120.001 6.799 18547 1291 1 2 . 1 1 62 62 ILE HA H 52 3.760 3.760 4.125 -0.365 18547 1292 1 2 . 1 1 62 62 ILE C C 52 172.600 172.600 174.396 -1.796 18547 1293 1 2 . 1 1 62 62 ILE CA C 52 59.900 59.900 59.313 0.587 18547 1294 1 2 . 1 1 62 62 ILE CB C 52 41.600 41.600 41.148 0.452 18547 1295 1 2 . 1 1 62 62 ILE H H 52 6.010 6.010 7.572 -1.562 18547 1296 1 2 . 1 1 63 63 GLU N N 53 124.400 124.400 123.000 1.400 18547 1297 1 2 . 1 1 63 63 GLU HA H 53 3.850 3.850 4.320 -0.470 18547 1298 1 2 . 1 1 63 63 GLU CA C 53 54.800 54.800 53.861 0.939 18547 1299 1 2 . 1 1 63 63 GLU CB C 53 31.700 31.700 28.737 2.963 18547 1300 1 2 . 1 1 63 63 GLU H H 53 8.280 8.280 8.354 -0.074 18547 1301 1 2 . 1 1 64 64 PRO HA H 54 4.920 4.920 5.113 -0.193 18547 1302 1 2 . 1 1 64 64 PRO C C 54 175.500 175.500 176.229 -0.729 18547 1303 1 2 . 1 1 64 64 PRO CA C 54 62.000 62.000 61.558 0.442 18547 1304 1 2 . 1 1 64 64 PRO CB C 54 31.800 31.800 33.385 -1.585 18547 1305 1 2 . 1 1 65 65 LYS N N 55 120.200 120.200 123.408 -3.208 18547 1306 1 2 . 1 1 65 65 LYS HA H 55 4.780 4.780 4.669 0.111 18547 1307 1 2 . 1 1 65 65 LYS C C 55 176.000 176.000 175.178 0.822 18547 1308 1 2 . 1 1 65 65 LYS CA C 55 54.200 54.200 55.210 -1.010 18547 1309 1 2 . 1 1 65 65 LYS CB C 55 35.300 35.300 35.510 -0.210 18547 1310 1 2 . 1 1 65 65 LYS H H 55 8.370 8.370 8.938 -0.568 18547 1311 1 2 . 1 1 66 66 GLY N N 56 109.400 109.400 113.499 -4.099 18547 1312 1 2 . 1 1 66 66 GLY C C 56 171.400 171.400 173.651 -2.251 18547 1313 1 2 . 1 1 66 66 GLY CA C 56 45.400 45.400 45.330 0.071 18547 1314 1 2 . 1 1 66 66 GLY H H 56 8.640 8.640 8.175 0.465 18547 1315 1 2 . 1 1 67 67 ASP N N 57 123.800 123.800 121.931 1.869 18547 1316 1 2 . 1 1 67 67 ASP HA H 57 4.900 4.900 4.616 0.284 18547 1317 1 2 . 1 1 67 67 ASP C C 57 175.600 175.600 177.486 -1.886 18547 1318 1 2 . 1 1 67 67 ASP CA C 57 52.400 52.400 55.987 -3.587 18547 1319 1 2 . 1 1 67 67 ASP CB C 57 40.700 40.700 41.679 -0.979 18547 1320 1 2 . 1 1 67 67 ASP H H 57 7.790 7.790 8.347 -0.557 18547 1321 1 2 . 1 1 68 68 LEU N N 58 122.800 122.800 115.479 7.321 18547 1322 1 2 . 1 1 68 68 LEU HA H 58 4.270 4.270 3.969 0.301 18547 1323 1 2 . 1 1 68 68 LEU C C 58 173.700 173.700 175.300 -1.600 18547 1324 1 2 . 1 1 68 68 LEU CA C 58 54.500 54.500 55.613 -1.113 18547 1325 1 2 . 1 1 68 68 LEU CB C 58 38.300 38.300 40.624 -2.324 18547 1326 1 2 . 1 1 68 68 LEU H H 58 8.330 8.330 7.882 0.448 18547 1327 1 2 . 1 1 69 69 ARG N N 59 121.800 121.800 117.323 4.477 18547 1328 1 2 . 1 1 69 69 ARG HA H 59 4.710 4.710 4.727 -0.017 18547 1329 1 2 . 1 1 69 69 ARG CA C 59 54.100 54.100 53.247 0.853 18547 1330 1 2 . 1 1 69 69 ARG CB C 59 31.800 31.800 32.727 -0.927 18547 1331 1 2 . 1 1 69 69 ARG H H 59 8.120 8.120 7.813 0.307 18547 1332 1 2 . 1 1 70 70 GLU N N 60 122.800 122.800 122.314 0.486 18547 1333 1 2 . 1 1 70 70 GLU HA H 60 3.870 3.870 4.285 -0.415 18547 1334 1 2 . 1 1 70 70 GLU C C 60 177.200 177.200 177.501 -0.301 18547 1335 1 2 . 1 1 70 70 GLU CA C 60 60.000 60.000 56.888 3.112 18547 1336 1 2 . 1 1 70 70 GLU CB C 60 30.200 30.200 29.305 0.895 18547 1337 1 2 . 1 1 70 70 GLU H H 60 9.130 9.130 8.815 0.315 18547 1338 1 2 . 1 1 71 71 GLY N N 61 117.100 117.100 113.646 3.454 18547 1339 1 2 . 1 1 71 71 GLY C C 61 174.900 174.900 174.062 0.838 18547 1340 1 2 . 1 1 71 71 GLY CA C 61 45.600 45.600 44.733 0.867 18547 1341 1 2 . 1 1 71 71 GLY H H 61 8.710 8.710 8.770 -0.060 18547 1342 1 2 . 1 1 72 72 GLY N N 62 110.300 110.300 108.303 1.997 18547 1343 1 2 . 1 1 72 72 GLY C C 62 174.200 174.200 172.002 2.198 18547 1344 1 2 . 1 1 72 72 GLY CA C 62 43.400 43.400 43.763 -0.363 18547 1345 1 2 . 1 1 72 72 GLY H H 62 8.760 8.760 7.929 0.831 18547 1346 1 2 . 1 1 73 73 ASN N N 63 117.800 117.800 116.285 1.515 18547 1347 1 2 . 1 1 73 73 ASN HA H 63 5.490 5.490 5.742 -0.252 18547 1348 1 2 . 1 1 73 73 ASN C C 63 171.400 171.400 174.012 -2.612 18547 1349 1 2 . 1 1 73 73 ASN CA C 63 52.900 52.900 51.451 1.449 18547 1350 1 2 . 1 1 73 73 ASN CB C 63 41.500 41.500 42.363 -0.863 18547 1351 1 2 . 1 1 73 73 ASN H H 63 8.890 8.890 8.752 0.138 18547 1352 1 2 . 1 1 74 74 PHE N N 64 113.500 113.500 113.324 0.176 18547 1353 1 2 . 1 1 74 74 PHE HA H 64 5.500 5.500 5.015 0.485 18547 1354 1 2 . 1 1 74 74 PHE C C 64 173.200 173.200 172.855 0.345 18547 1355 1 2 . 1 1 74 74 PHE CA C 64 55.900 55.900 56.313 -0.413 18547 1356 1 2 . 1 1 74 74 PHE CB C 64 44.600 44.600 42.294 2.306 18547 1357 1 2 . 1 1 74 74 PHE H H 64 8.700 8.700 8.518 0.182 18547 1358 1 2 . 1 1 75 75 ALA N N 65 122.200 122.200 120.688 1.512 18547 1359 1 2 . 1 1 75 75 ALA HA H 65 4.350 4.350 4.984 -0.634 18547 1360 1 2 . 1 1 75 75 ALA C C 65 176.000 176.000 175.679 0.321 18547 1361 1 2 . 1 1 75 75 ALA CA C 65 52.500 52.500 50.416 2.084 18547 1362 1 2 . 1 1 75 75 ALA CB C 65 21.800 21.800 22.469 -0.669 18547 1363 1 2 . 1 1 75 75 ALA H H 65 8.690 8.690 8.344 0.346 18547 1364 1 2 . 1 1 76 76 LEU N N 66 123.800 123.800 123.602 0.198 18547 1365 1 2 . 1 1 76 76 LEU HA H 66 4.520 4.520 4.375 0.145 18547 1366 1 2 . 1 1 76 76 LEU C C 66 175.800 175.800 178.262 -2.462 18547 1367 1 2 . 1 1 76 76 LEU CA C 66 52.500 52.500 57.380 -4.880 18547 1368 1 2 . 1 1 76 76 LEU CB C 66 42.400 42.400 42.496 -0.096 18547 1369 1 2 . 1 1 76 76 LEU H H 66 8.350 8.350 8.244 0.106 18547 1370 1 2 . 1 1 77 77 GLN N N 67 127.400 127.400 116.395 11.005 18547 1371 1 2 . 1 1 77 77 GLN HA H 67 3.900 3.900 4.276 -0.376 18547 1372 1 2 . 1 1 77 77 GLN C C 67 176.600 176.600 176.128 0.472 18547 1373 1 2 . 1 1 77 77 GLN CA C 67 57.800 57.800 56.344 1.456 18547 1374 1 2 . 1 1 77 77 GLN CB C 67 28.000 28.000 29.596 -1.596 18547 1375 1 2 . 1 1 77 77 GLN H H 67 8.590 8.590 8.050 0.540 18547 1376 1 2 . 1 1 78 78 GLY N N 68 114.800 114.800 108.188 6.612 18547 1377 1 2 . 1 1 78 78 GLY C C 68 173.700 173.700 173.834 -0.134 18547 1378 1 2 . 1 1 78 78 GLY CA C 68 45.700 45.700 44.974 0.726 18547 1379 1 2 . 1 1 78 78 GLY H H 68 8.920 8.920 8.157 0.763 18547 1380 1 2 . 1 1 79 79 ASN N N 69 124.000 124.000 119.201 4.799 18547 1381 1 2 . 1 1 79 79 ASN HA H 69 4.600 4.600 4.783 -0.183 18547 1382 1 2 . 1 1 79 79 ASN C C 69 173.300 173.300 174.327 -1.027 18547 1383 1 2 . 1 1 79 79 ASN CA C 69 52.900 52.900 54.556 -1.656 18547 1384 1 2 . 1 1 79 79 ASN CB C 69 41.600 41.600 39.470 2.130 18547 1385 1 2 . 1 1 79 79 ASN H H 69 8.360 8.360 8.148 0.212 18547 1386 1 2 . 1 1 80 80 ALA N N 70 127.200 127.200 118.365 8.835 18547 1387 1 2 . 1 1 80 80 ALA HA H 70 4.170 4.170 4.375 -0.205 18547 1388 1 2 . 1 1 80 80 ALA C C 70 174.500 174.500 175.034 -0.534 18547 1389 1 2 . 1 1 80 80 ALA CA C 70 52.500 52.500 50.691 1.809 18547 1390 1 2 . 1 1 80 80 ALA CB C 70 18.600 18.600 21.279 -2.679 18547 1391 1 2 . 1 1 80 80 ALA H H 70 8.930 8.930 7.673 1.257 18547 1392 1 2 . 1 1 81 81 SER N N 71 111.000 111.000 113.883 -2.883 18547 1393 1 2 . 1 1 81 81 SER HA H 71 4.170 4.170 5.037 -0.867 18547 1394 1 2 . 1 1 81 81 SER C C 71 170.900 170.900 173.642 -2.742 18547 1395 1 2 . 1 1 81 81 SER CA C 71 56.300 56.300 55.656 0.644 18547 1396 1 2 . 1 1 81 81 SER CB C 71 66.600 66.600 66.083 0.517 18547 1397 1 2 . 1 1 81 81 SER H H 71 7.980 7.980 8.031 -0.051 18547 1398 1 2 . 1 1 82 82 GLY N N 72 102.700 102.700 108.277 -5.577 18547 1399 1 2 . 1 1 82 82 GLY C C 72 171.700 171.700 171.749 -0.049 18547 1400 1 2 . 1 1 82 82 GLY CA C 72 46.200 46.200 44.890 1.310 18547 1401 1 2 . 1 1 82 82 GLY H H 72 6.940 6.940 7.725 -0.785 18547 1402 1 2 . 1 1 83 83 ASP N N 73 117.900 117.900 119.406 -1.506 18547 1403 1 2 . 1 1 83 83 ASP HA H 73 5.430 5.430 5.191 0.239 18547 1404 1 2 . 1 1 83 83 ASP C C 73 176.100 176.100 175.630 0.470 18547 1405 1 2 . 1 1 83 83 ASP CA C 73 52.700 52.700 54.976 -2.276 18547 1406 1 2 . 1 1 83 83 ASP CB C 73 43.600 43.600 43.577 0.023 18547 1407 1 2 . 1 1 83 83 ASP H H 73 8.770 8.770 8.367 0.403 18547 1408 1 2 . 1 1 84 84 ILE N N 74 120.200 120.200 119.707 0.493 18547 1409 1 2 . 1 1 84 84 ILE HA H 74 4.530 4.530 4.403 0.127 18547 1410 1 2 . 1 1 84 84 ILE C C 74 175.600 175.600 176.227 -0.627 18547 1411 1 2 . 1 1 84 84 ILE CA C 74 61.700 61.700 60.367 1.333 18547 1412 1 2 . 1 1 84 84 ILE CB C 74 36.700 36.700 37.843 -1.143 18547 1413 1 2 . 1 1 84 84 ILE H H 74 8.060 8.060 8.630 -0.570 18547 1414 1 2 . 1 1 85 85 LEU N N 75 130.400 130.400 129.661 0.739 18547 1415 1 2 . 1 1 85 85 LEU HA H 75 4.330 4.330 4.369 -0.039 18547 1416 1 2 . 1 1 85 85 LEU C C 75 178.100 178.100 177.167 0.933 18547 1417 1 2 . 1 1 85 85 LEU CA C 75 57.000 57.000 56.818 0.182 18547 1418 1 2 . 1 1 85 85 LEU CB C 75 42.000 42.000 42.889 -0.889 18547 1419 1 2 . 1 1 85 85 LEU H H 75 8.710 8.710 8.539 0.171 18547 1420 1 2 . 1 1 86 86 ARG N N 76 115.700 115.700 118.670 -2.970 18547 1421 1 2 . 1 1 86 86 ARG HA H 76 4.840 4.840 4.857 -0.017 18547 1422 1 2 . 1 1 86 86 ARG C C 76 174.900 174.900 174.225 0.675 18547 1423 1 2 . 1 1 86 86 ARG CA C 76 54.700 54.700 55.898 -1.198 18547 1424 1 2 . 1 1 86 86 ARG CB C 76 33.900 33.900 32.497 1.403 18547 1425 1 2 . 1 1 86 86 ARG H H 76 8.130 8.130 8.029 0.101 18547 1426 1 2 . 1 1 87 87 CYS N N 77 127.100 127.100 126.391 0.709 18547 1427 1 2 . 1 1 87 87 CYS HA H 77 5.130 5.130 4.971 0.159 18547 1428 1 2 . 1 1 87 87 CYS C C 77 171.700 171.700 174.826 -3.126 18547 1429 1 2 . 1 1 87 87 CYS CA C 77 54.600 54.600 56.561 -1.961 18547 1430 1 2 . 1 1 87 87 CYS CB C 77 33.000 33.000 27.899 5.101 18547 1431 1 2 . 1 1 87 87 CYS H H 77 10.630 10.630 9.034 1.596 18547 1432 1 2 . 1 1 88 88 GLU N N 78 128.200 128.200 125.777 2.423 18547 1433 1 2 . 1 1 88 88 GLU HA H 78 4.950 4.950 4.717 0.233 18547 1434 1 2 . 1 1 88 88 GLU CA C 78 52.100 52.100 53.681 -1.581 18547 1435 1 2 . 1 1 88 88 GLU CB C 78 30.500 30.500 30.424 0.076 18547 1436 1 2 . 1 1 88 88 GLU H H 78 9.460 9.460 8.772 0.688 18547 1437 1 2 . 1 1 89 89 PRO HA H 79 2.780 2.780 4.065 -1.285 18547 1438 1 2 . 1 1 89 89 PRO CA C 79 60.500 60.500 61.166 -0.666 18547 1439 1 2 . 1 1 89 89 PRO CB C 79 31.600 31.600 31.545 0.055 18547 1440 1 2 . 1 1 90 90 PRO HA H 80 2.250 2.250 2.972 -0.722 18547 1441 1 2 . 1 1 90 90 PRO C C 80 171.400 171.400 175.982 -4.582 18547 1442 1 2 . 1 1 90 90 PRO CA C 80 63.700 63.700 61.156 2.544 18547 1443 1 2 . 1 1 90 90 PRO CB C 80 30.500 30.500 32.138 -1.638 18547 1444 1 2 . 1 1 91 91 ARG N N 81 113.700 113.700 118.508 -4.808 18547 1445 1 2 . 1 1 91 91 ARG HA H 81 4.700 4.700 4.051 0.649 18547 1446 1 2 . 1 1 91 91 ARG C C 81 176.500 176.500 176.137 0.363 18547 1447 1 2 . 1 1 91 91 ARG CA C 81 57.400 57.400 58.264 -0.864 18547 1448 1 2 . 1 1 91 91 ARG CB C 81 34.200 34.200 30.835 3.365 18547 1449 1 2 . 1 1 91 91 ARG H H 81 7.640 7.640 7.652 -0.012 18547 1450 1 2 . 1 1 92 92 ARG N N 82 121.000 121.000 114.275 6.725 18547 1451 1 2 . 1 1 92 92 ARG HA H 82 5.700 5.700 5.214 0.486 18547 1452 1 2 . 1 1 92 92 ARG C C 82 172.700 172.700 173.888 -1.188 18547 1453 1 2 . 1 1 92 92 ARG CA C 82 55.900 55.900 55.150 0.750 18547 1454 1 2 . 1 1 92 92 ARG CB C 82 34.100 34.100 33.593 0.507 18547 1455 1 2 . 1 1 92 92 ARG H H 82 7.710 7.710 7.730 -0.020 18547 1456 1 2 . 1 1 93 93 LEU N N 83 130.800 130.800 118.107 12.693 18547 1457 1 2 . 1 1 93 93 LEU HA H 83 5.250 5.250 5.419 -0.169 18547 1458 1 2 . 1 1 93 93 LEU C C 83 174.000 174.000 175.672 -1.672 18547 1459 1 2 . 1 1 93 93 LEU CA C 83 53.700 53.700 53.371 0.329 18547 1460 1 2 . 1 1 93 93 LEU CB C 83 47.100 47.100 43.953 3.147 18547 1461 1 2 . 1 1 93 93 LEU H H 83 9.080 9.080 8.409 0.671 18547 1462 1 2 . 1 1 94 94 THR N N 84 124.200 124.200 117.986 6.214 18547 1463 1 2 . 1 1 94 94 THR HA H 84 5.340 5.340 5.173 0.167 18547 1464 1 2 . 1 1 94 94 THR C C 84 174.100 174.100 173.649 0.451 18547 1465 1 2 . 1 1 94 94 THR CA C 84 62.700 62.700 62.296 0.404 18547 1466 1 2 . 1 1 94 94 THR CB C 84 69.600 69.600 70.430 -0.830 18547 1467 1 2 . 1 1 94 94 THR H H 84 9.310 9.310 8.525 0.785 18547 1468 1 2 . 1 1 95 95 ILE N N 85 121.600 121.600 122.591 -0.991 18547 1469 1 2 . 1 1 95 95 ILE HA H 85 5.630 5.630 4.930 0.700 18547 1470 1 2 . 1 1 95 95 ILE C C 85 175.000 175.000 173.270 1.730 18547 1471 1 2 . 1 1 95 95 ILE CA C 85 59.300 59.300 59.257 0.043 18547 1472 1 2 . 1 1 95 95 ILE CB C 85 40.900 40.900 42.535 -1.635 18547 1473 1 2 . 1 1 95 95 ILE H H 85 9.700 9.700 9.157 0.543 18547 1474 1 2 . 1 1 96 96 SER N N 86 117.900 117.900 118.498 -0.598 18547 1475 1 2 . 1 1 96 96 SER HA H 86 5.270 5.270 5.143 0.127 18547 1476 1 2 . 1 1 96 96 SER C C 86 172.200 172.200 173.822 -1.622 18547 1477 1 2 . 1 1 96 96 SER CA C 86 57.600 57.600 57.022 0.578 18547 1478 1 2 . 1 1 96 96 SER CB C 86 65.700 65.700 64.704 0.996 18547 1479 1 2 . 1 1 96 96 SER H H 86 9.290 9.290 8.447 0.843 18547 1480 1 2 . 1 1 97 97 TRP N N 87 120.000 120.000 129.157 -9.157 18547 1481 1 2 . 1 1 97 97 TRP HA H 87 5.130 5.130 4.950 0.180 18547 1482 1 2 . 1 1 97 97 TRP C C 87 175.500 175.500 173.598 1.902 18547 1483 1 2 . 1 1 97 97 TRP CA C 87 57.900 57.900 56.431 1.469 18547 1484 1 2 . 1 1 97 97 TRP CB C 87 31.500 31.500 31.959 -0.459 18547 1485 1 2 . 1 1 97 97 TRP H H 87 7.790 7.790 8.651 -0.861 18547 1486 1 2 . 1 1 98 98 VAL N N 88 132.200 132.200 129.972 2.228 18547 1487 1 2 . 1 1 98 98 VAL HA H 88 4.460 4.460 4.270 0.190 18547 1488 1 2 . 1 1 98 98 VAL C C 88 175.100 175.100 174.099 1.001 18547 1489 1 2 . 1 1 98 98 VAL CA C 88 62.000 62.000 61.330 0.670 18547 1490 1 2 . 1 1 98 98 VAL CB C 88 32.500 32.500 31.141 1.359 18547 1491 1 2 . 1 1 98 98 VAL H H 88 9.620 9.620 8.202 1.418 18547 1492 1 2 . 1 1 99 99 TYR N N 89 130.300 130.300 129.282 1.018 18547 1493 1 2 . 1 1 99 99 TYR HA H 89 4.440 4.440 4.580 -0.140 18547 1494 1 2 . 1 1 99 99 TYR C C 89 173.900 173.900 175.083 -1.183 18547 1495 1 2 . 1 1 99 99 TYR CA C 89 56.800 56.800 56.564 0.236 18547 1496 1 2 . 1 1 99 99 TYR CB C 89 42.100 42.100 41.072 1.028 18547 1497 1 2 . 1 1 99 99 TYR H H 89 9.670 9.670 8.398 1.272 18547 1498 1 2 . 1 1 100 100 GLU N N 90 127.100 127.100 126.539 0.561 18547 1499 1 2 . 1 1 100 100 GLU HA H 90 3.940 3.940 4.008 -0.068 18547 1500 1 2 . 1 1 100 100 GLU C C 90 176.700 176.700 176.726 -0.026 18547 1501 1 2 . 1 1 100 100 GLU CA C 90 58.300 58.300 57.879 0.421 18547 1502 1 2 . 1 1 100 100 GLU CB C 90 29.200 29.200 29.406 -0.206 18547 1503 1 2 . 1 1 100 100 GLU H H 90 8.080 8.080 8.496 -0.416 18547 1504 1 2 . 1 1 101 101 GLY N N 91 113.100 113.100 113.109 -0.009 18547 1505 1 2 . 1 1 101 101 GLY C C 91 173.900 173.900 173.956 -0.056 18547 1506 1 2 . 1 1 101 101 GLY CA C 91 45.200 45.200 45.167 0.033 18547 1507 1 2 . 1 1 101 101 GLY H H 91 8.850 8.850 8.725 0.125 18547 1508 1 2 . 1 1 102 102 LYS N N 92 120.100 120.100 120.535 -0.435 18547 1509 1 2 . 1 1 102 102 LYS HA H 92 4.990 4.990 4.865 0.125 18547 1510 1 2 . 1 1 102 102 LYS CA C 92 52.500 52.500 53.235 -0.735 18547 1511 1 2 . 1 1 102 102 LYS CB C 92 33.200 33.200 33.860 -0.660 18547 1512 1 2 . 1 1 102 102 LYS H H 92 8.270 8.270 7.519 0.751 18547 1513 1 2 . 1 1 103 103 PRO HA H 93 4.620 4.620 4.513 0.107 18547 1514 1 2 . 1 1 103 103 PRO C C 93 176.700 176.700 176.222 0.478 18547 1515 1 2 . 1 1 103 103 PRO CA C 93 62.400 62.400 62.291 0.109 18547 1516 1 2 . 1 1 103 103 PRO CB C 93 31.400 31.400 32.210 -0.810 18547 1517 1 2 . 1 1 104 104 ASP N N 94 124.500 124.500 121.453 3.047 18547 1518 1 2 . 1 1 104 104 ASP HA H 94 4.860 4.860 4.416 0.444 18547 1519 1 2 . 1 1 104 104 ASP C C 94 177.100 177.100 176.209 0.891 18547 1520 1 2 . 1 1 104 104 ASP CA C 94 55.900 55.900 54.625 1.275 18547 1521 1 2 . 1 1 104 104 ASP CB C 94 40.500 40.500 40.623 -0.123 18547 1522 1 2 . 1 1 104 104 ASP H H 94 8.850 8.850 8.504 0.346 18547 1523 1 2 . 1 1 105 105 SER N N 95 118.600 118.600 118.936 -0.336 18547 1524 1 2 . 1 1 105 105 SER HA H 95 5.280 5.280 4.947 0.333 18547 1525 1 2 . 1 1 105 105 SER C C 95 173.700 173.700 174.349 -0.649 18547 1526 1 2 . 1 1 105 105 SER CA C 95 57.900 57.900 57.898 0.002 18547 1527 1 2 . 1 1 105 105 SER CB C 95 65.600 65.600 65.231 0.369 18547 1528 1 2 . 1 1 105 105 SER H H 95 9.260 9.260 8.266 0.994 18547 1529 1 2 . 1 1 106 106 GLU N N 96 124.100 124.100 122.541 1.559 18547 1530 1 2 . 1 1 106 106 GLU HA H 96 5.180 5.180 4.866 0.314 18547 1531 1 2 . 1 1 106 106 GLU C C 96 172.400 172.400 175.042 -2.642 18547 1532 1 2 . 1 1 106 106 GLU CA C 96 57.200 57.200 54.863 2.337 18547 1533 1 2 . 1 1 106 106 GLU CB C 96 36.100 36.100 32.164 3.936 18547 1534 1 2 . 1 1 106 106 GLU H H 96 8.620 8.620 8.595 0.025 18547 1535 1 2 . 1 1 107 107 VAL N N 97 128.100 128.100 126.349 1.751 18547 1536 1 2 . 1 1 107 107 VAL HA H 97 4.770 4.770 4.986 -0.216 18547 1537 1 2 . 1 1 107 107 VAL C C 97 173.100 173.100 174.463 -1.363 18547 1538 1 2 . 1 1 107 107 VAL CA C 97 60.100 60.100 61.249 -1.149 18547 1539 1 2 . 1 1 107 107 VAL CB C 97 34.200 34.200 34.558 -0.358 18547 1540 1 2 . 1 1 107 107 VAL H H 97 9.180 9.180 8.822 0.358 18547 1541 1 2 . 1 1 108 108 GLU N N 98 126.200 126.200 127.147 -0.947 18547 1542 1 2 . 1 1 108 108 GLU HA H 98 5.580 5.580 5.252 0.328 18547 1543 1 2 . 1 1 108 108 GLU C C 98 172.100 172.100 174.799 -2.699 18547 1544 1 2 . 1 1 108 108 GLU CA C 98 54.200 54.200 54.620 -0.420 18547 1545 1 2 . 1 1 108 108 GLU CB C 98 35.200 35.200 32.633 2.567 18547 1546 1 2 . 1 1 108 108 GLU H H 98 9.300 9.300 8.828 0.472 18547 1547 1 2 . 1 1 109 109 LEU N N 99 128.600 128.600 127.914 0.686 18547 1548 1 2 . 1 1 109 109 LEU HA H 99 5.080 5.080 4.749 0.331 18547 1549 1 2 . 1 1 109 109 LEU C C 99 175.100 175.100 174.727 0.373 18547 1550 1 2 . 1 1 109 109 LEU CA C 99 52.700 52.700 53.903 -1.203 18547 1551 1 2 . 1 1 109 109 LEU CB C 99 46.400 46.400 43.966 2.434 18547 1552 1 2 . 1 1 109 109 LEU H H 99 9.330 9.330 8.147 1.183 18547 1553 1 2 . 1 1 110 110 ARG N N 100 124.700 124.700 127.845 -3.145 18547 1554 1 2 . 1 1 110 110 ARG HA H 100 5.390 5.390 4.735 0.655 18547 1555 1 2 . 1 1 110 110 ARG C C 100 175.400 175.400 174.317 1.083 18547 1556 1 2 . 1 1 110 110 ARG CA C 100 54.600 54.600 54.856 -0.256 18547 1557 1 2 . 1 1 110 110 ARG CB C 100 34.100 34.100 32.702 1.398 18547 1558 1 2 . 1 1 110 110 ARG H H 100 9.430 9.430 8.727 0.703 18547 1559 1 2 . 1 1 111 111 LEU N N 101 122.900 122.900 127.967 -5.067 18547 1560 1 2 . 1 1 111 111 LEU HA H 101 5.620 5.620 5.406 0.214 18547 1561 1 2 . 1 1 111 111 LEU C C 101 177.100 177.100 175.922 1.178 18547 1562 1 2 . 1 1 111 111 LEU CA C 101 53.000 53.000 53.751 -0.751 18547 1563 1 2 . 1 1 111 111 LEU CB C 101 44.900 44.900 44.706 0.195 18547 1564 1 2 . 1 1 111 111 LEU H H 101 9.120 9.120 8.066 1.054 18547 1565 1 2 . 1 1 112 112 SER N N 102 113.800 113.800 115.904 -2.104 18547 1566 1 2 . 1 1 112 112 SER HA H 102 4.690 4.690 4.744 -0.054 18547 1567 1 2 . 1 1 112 112 SER C C 102 172.700 172.700 172.483 0.217 18547 1568 1 2 . 1 1 112 112 SER CA C 102 57.000 57.000 57.186 -0.186 18547 1569 1 2 . 1 1 112 112 SER CB C 102 65.700 65.700 66.044 -0.344 18547 1570 1 2 . 1 1 112 112 SER H H 102 8.770 8.770 8.337 0.433 18547 1571 1 2 . 1 1 113 113 GLU N N 103 123.400 123.400 126.254 -2.854 18547 1572 1 2 . 1 1 113 113 GLU HA H 103 4.440 4.440 4.474 -0.034 18547 1573 1 2 . 1 1 113 113 GLU C C 103 176.600 176.600 176.382 0.218 18547 1574 1 2 . 1 1 113 113 GLU CA C 103 57.500 57.500 56.060 1.440 18547 1575 1 2 . 1 1 113 113 GLU CB C 103 30.200 30.200 30.069 0.131 18547 1576 1 2 . 1 1 113 113 GLU H H 103 9.200 9.200 8.631 0.569 18547 1577 1 2 . 1 1 114 114 GLU N N 104 126.500 126.500 127.983 -1.483 18547 1578 1 2 . 1 1 114 114 GLU HA H 104 4.450 4.450 4.583 -0.133 18547 1579 1 2 . 1 1 114 114 GLU C C 104 175.600 175.600 176.485 -0.885 18547 1580 1 2 . 1 1 114 114 GLU CA C 104 55.700 55.700 55.155 0.545 18547 1581 1 2 . 1 1 114 114 GLU CB C 104 31.300 31.300 29.382 1.918 18547 1582 1 2 . 1 1 114 114 GLU H H 104 8.110 8.110 8.649 -0.539 18547 1583 1 2 . 1 1 115 115 GLY N N 105 118.000 118.000 115.634 2.366 18547 1584 1 2 . 1 1 115 115 GLY C C 105 174.700 174.700 174.460 0.240 18547 1585 1 2 . 1 1 115 115 GLY CA C 105 47.100 47.100 46.447 0.653 18547 1586 1 2 . 1 1 115 115 GLY H H 105 9.030 9.030 8.153 0.877 18547 1587 1 2 . 1 1 116 116 ASP N N 106 126.200 126.200 126.595 -0.395 18547 1588 1 2 . 1 1 116 116 ASP HA H 106 4.750 4.750 4.839 -0.089 18547 1589 1 2 . 1 1 116 116 ASP C C 106 175.600 175.600 175.535 0.065 18547 1590 1 2 . 1 1 116 116 ASP CA C 106 54.300 54.300 53.864 0.436 18547 1591 1 2 . 1 1 116 116 ASP CB C 106 40.800 40.800 41.805 -1.005 18547 1592 1 2 . 1 1 116 116 ASP H H 106 8.800 8.800 8.304 0.496 18547 1593 1 2 . 1 1 117 117 GLY N N 107 109.500 109.500 106.861 2.639 18547 1594 1 2 . 1 1 117 117 GLY C C 107 174.400 174.400 172.946 1.454 18547 1595 1 2 . 1 1 117 117 GLY CA C 107 44.800 44.800 44.184 0.616 18547 1596 1 2 . 1 1 117 117 GLY H H 107 8.040 8.040 7.625 0.415 18547 1597 1 2 . 1 1 118 118 THR N N 108 120.400 120.400 116.562 3.838 18547 1598 1 2 . 1 1 118 118 THR HA H 108 4.970 4.970 5.215 -0.245 18547 1599 1 2 . 1 1 118 118 THR C C 108 173.000 173.000 173.105 -0.105 18547 1600 1 2 . 1 1 118 118 THR CA C 108 63.500 63.500 61.856 1.644 18547 1601 1 2 . 1 1 118 118 THR CB C 108 73.000 73.000 71.529 1.471 18547 1602 1 2 . 1 1 118 118 THR H H 108 9.010 9.010 8.660 0.350 18547 1603 1 2 . 1 1 119 119 LEU N N 109 129.000 129.000 130.665 -1.665 18547 1604 1 2 . 1 1 119 119 LEU HA H 109 4.790 4.790 4.660 0.130 18547 1605 1 2 . 1 1 119 119 LEU C C 109 173.500 173.500 174.671 -1.171 18547 1606 1 2 . 1 1 119 119 LEU CA C 109 54.300 54.300 54.341 -0.041 18547 1607 1 2 . 1 1 119 119 LEU CB C 109 42.900 42.900 42.456 0.444 18547 1608 1 2 . 1 1 119 119 LEU H H 109 9.410 9.410 8.478 0.932 18547 1609 1 2 . 1 1 120 120 LEU N N 110 132.200 132.200 130.279 1.921 18547 1610 1 2 . 1 1 120 120 LEU HA H 110 4.820 4.820 4.888 -0.068 18547 1611 1 2 . 1 1 120 120 LEU C C 110 174.100 174.100 175.210 -1.110 18547 1612 1 2 . 1 1 120 120 LEU CA C 110 54.900 54.900 54.303 0.597 18547 1613 1 2 . 1 1 120 120 LEU CB C 110 45.300 45.300 43.967 1.333 18547 1614 1 2 . 1 1 120 120 LEU H H 110 9.430 9.430 9.040 0.390 18547 1615 1 2 . 1 1 121 121 GLU N N 111 125.800 125.800 125.730 0.070 18547 1616 1 2 . 1 1 121 121 GLU HA H 111 5.530 5.530 4.797 0.733 18547 1617 1 2 . 1 1 121 121 GLU C C 111 173.500 173.500 174.744 -1.244 18547 1618 1 2 . 1 1 121 121 GLU CA C 111 54.500 54.500 54.815 -0.315 18547 1619 1 2 . 1 1 121 121 GLU CB C 111 33.100 33.100 32.136 0.964 18547 1620 1 2 . 1 1 121 121 GLU H H 111 8.970 8.970 8.715 0.255 18547 1621 1 2 . 1 1 122 122 LEU N N 112 127.300 127.300 128.063 -0.763 18547 1622 1 2 . 1 1 122 122 LEU HA H 112 5.030 5.030 4.447 0.583 18547 1623 1 2 . 1 1 122 122 LEU C C 112 173.700 173.700 174.378 -0.678 18547 1624 1 2 . 1 1 122 122 LEU CA C 112 53.200 53.200 54.146 -0.946 18547 1625 1 2 . 1 1 122 122 LEU CB C 112 45.400 45.400 44.173 1.227 18547 1626 1 2 . 1 1 122 122 LEU H H 112 8.950 8.950 8.743 0.207 18547 1627 1 2 . 1 1 123 123 GLU N N 113 127.900 127.900 128.443 -0.543 18547 1628 1 2 . 1 1 123 123 GLU HA H 113 5.750 5.750 4.867 0.883 18547 1629 1 2 . 1 1 123 123 GLU C C 113 174.200 174.200 174.486 -0.286 18547 1630 1 2 . 1 1 123 123 GLU CA C 113 52.900 52.900 54.591 -1.691 18547 1631 1 2 . 1 1 123 123 GLU CB C 113 33.300 33.300 30.839 2.461 18547 1632 1 2 . 1 1 123 123 GLU H H 113 9.350 9.350 8.429 0.921 18547 1633 1 2 . 1 1 124 124 HIS N N 114 128.200 128.200 128.290 -0.090 18547 1634 1 2 . 1 1 124 124 HIS HA H 114 5.240 5.240 5.317 -0.077 18547 1635 1 2 . 1 1 124 124 HIS C C 114 173.900 173.900 173.173 0.727 18547 1636 1 2 . 1 1 124 124 HIS CA C 114 54.300 54.300 53.911 0.389 18547 1637 1 2 . 1 1 124 124 HIS CB C 114 34.600 34.600 32.474 2.126 18547 1638 1 2 . 1 1 124 124 HIS H H 114 8.770 8.770 8.250 0.520 18547 1639 1 2 . 1 1 125 125 ALA N N 115 128.600 128.600 131.250 -2.650 18547 1640 1 2 . 1 1 125 125 ALA HA H 115 5.150 5.150 5.549 -0.399 18547 1641 1 2 . 1 1 125 125 ALA C C 115 175.400 175.400 175.667 -0.267 18547 1642 1 2 . 1 1 125 125 ALA CA C 115 50.100 50.100 50.283 -0.184 18547 1643 1 2 . 1 1 125 125 ALA CB C 115 22.500 22.500 21.002 1.498 18547 1644 1 2 . 1 1 125 125 ALA H H 115 9.360 9.360 8.865 0.495 18547 1645 1 2 . 1 1 126 126 THR N N 116 115.800 115.800 118.964 -3.164 18547 1646 1 2 . 1 1 126 126 THR HA H 116 4.960 4.960 4.887 0.073 18547 1647 1 2 . 1 1 126 126 THR C C 116 172.200 172.200 175.407 -3.207 18547 1648 1 2 . 1 1 126 126 THR CA C 116 58.800 58.800 59.175 -0.375 18547 1649 1 2 . 1 1 126 126 THR CB C 116 69.200 69.200 71.029 -1.829 18547 1650 1 2 . 1 1 126 126 THR H H 116 8.760 8.760 8.143 0.617 18547 1651 1 2 . 1 1 127 127 THR N N 117 116.000 116.000 119.236 -3.236 18547 1652 1 2 . 1 1 127 127 THR HA H 117 4.390 4.390 4.285 0.105 18547 1653 1 2 . 1 1 127 127 THR C C 117 174.400 174.400 175.106 -0.706 18547 1654 1 2 . 1 1 127 127 THR CA C 117 62.900 62.900 64.111 -1.211 18547 1655 1 2 . 1 1 127 127 THR CB C 117 68.800 68.800 69.230 -0.430 18547 1656 1 2 . 1 1 127 127 THR H H 117 8.460 8.460 8.820 -0.360 18547 1657 1 2 . 1 1 128 128 SER N N 118 116.400 116.400 116.941 -0.541 18547 1658 1 2 . 1 1 128 128 SER HA H 118 4.890 4.890 4.581 0.309 18547 1659 1 2 . 1 1 128 128 SER C C 118 174.700 174.700 174.565 0.135 18547 1660 1 2 . 1 1 128 128 SER CA C 118 55.400 55.400 56.510 -1.110 18547 1661 1 2 . 1 1 128 128 SER CB C 118 63.000 63.000 64.184 -1.184 18547 1662 1 2 . 1 1 128 128 SER H H 118 7.730 7.730 7.595 0.135 18547 1663 1 2 . 1 1 129 129 GLU N N 119 130.300 130.300 128.940 1.360 18547 1664 1 2 . 1 1 129 129 GLU HA H 119 3.940 3.940 4.074 -0.135 18547 1665 1 2 . 1 1 129 129 GLU C C 119 178.400 178.400 178.179 0.221 18547 1666 1 2 . 1 1 129 129 GLU CA C 119 59.900 59.900 59.145 0.755 18547 1667 1 2 . 1 1 129 129 GLU CB C 119 29.700 29.700 29.672 0.028 18547 1668 1 2 . 1 1 129 129 GLU H H 119 9.000 9.000 9.225 -0.225 18547 1669 1 2 . 1 1 130 130 GLN N N 120 117.300 117.300 118.678 -1.378 18547 1670 1 2 . 1 1 130 130 GLN HA H 120 4.120 4.120 4.084 0.036 18547 1671 1 2 . 1 1 130 130 GLN C C 120 177.900 177.900 178.491 -0.591 18547 1672 1 2 . 1 1 130 130 GLN CA C 120 58.400 58.400 58.507 -0.107 18547 1673 1 2 . 1 1 130 130 GLN CB C 120 28.000 28.000 28.641 -0.641 18547 1674 1 2 . 1 1 130 130 GLN H H 120 8.410 8.410 8.138 0.272 18547 1675 1 2 . 1 1 131 131 MET N N 121 118.300 118.300 119.960 -1.660 18547 1676 1 2 . 1 1 131 131 MET HA H 121 4.240 4.240 4.161 0.079 18547 1677 1 2 . 1 1 131 131 MET C C 121 176.400 176.400 177.901 -1.501 18547 1678 1 2 . 1 1 131 131 MET CA C 121 57.300 57.300 58.505 -1.205 18547 1679 1 2 . 1 1 131 131 MET CB C 121 32.400 32.400 32.656 -0.256 18547 1680 1 2 . 1 1 131 131 MET H H 121 7.640 7.640 7.705 -0.065 18547 1681 1 2 . 1 1 132 132 LEU N N 122 118.700 118.700 120.113 -1.413 18547 1682 1 2 . 1 1 132 132 LEU HA H 122 3.630 3.630 3.851 -0.221 18547 1683 1 2 . 1 1 132 132 LEU C C 122 177.100 177.100 179.252 -2.152 18547 1684 1 2 . 1 1 132 132 LEU CA C 122 58.300 58.300 57.849 0.451 18547 1685 1 2 . 1 1 132 132 LEU CB C 122 41.900 41.900 41.689 0.211 18547 1686 1 2 . 1 1 132 132 LEU H H 122 7.470 7.470 7.859 -0.389 18547 1687 1 2 . 1 1 133 133 VAL N N 123 114.600 114.600 118.280 -3.680 18547 1688 1 2 . 1 1 133 133 VAL HA H 123 3.360 3.360 3.614 -0.254 18547 1689 1 2 . 1 1 133 133 VAL C C 123 176.700 176.700 177.736 -1.036 18547 1690 1 2 . 1 1 133 133 VAL CA C 123 66.600 66.600 67.111 -0.511 18547 1691 1 2 . 1 1 133 133 VAL CB C 123 31.800 31.800 31.515 0.285 18547 1692 1 2 . 1 1 133 133 VAL H H 123 7.040 7.040 7.691 -0.650 18547 1693 1 2 . 1 1 134 134 GLU N N 124 116.700 116.700 120.227 -3.527 18547 1694 1 2 . 1 1 134 134 GLU HA H 124 3.900 3.900 4.043 -0.143 18547 1695 1 2 . 1 1 134 134 GLU C C 124 180.700 180.700 178.835 1.865 18547 1696 1 2 . 1 1 134 134 GLU CA C 124 59.300 59.300 59.703 -0.403 18547 1697 1 2 . 1 1 134 134 GLU CB C 124 29.900 29.900 29.813 0.087 18547 1698 1 2 . 1 1 134 134 GLU H H 124 7.200 7.200 7.570 -0.370 18547 1699 1 2 . 1 1 135 135 VAL N N 125 114.700 114.700 115.455 -0.755 18547 1700 1 2 . 1 1 135 135 VAL HA H 125 3.930 3.930 3.746 0.184 18547 1701 1 2 . 1 1 135 135 VAL C C 125 177.900 177.900 177.662 0.238 18547 1702 1 2 . 1 1 135 135 VAL CA C 125 63.800 63.800 64.633 -0.833 18547 1703 1 2 . 1 1 135 135 VAL CB C 125 30.400 30.400 30.568 -0.168 18547 1704 1 2 . 1 1 135 135 VAL H H 125 8.620 8.620 8.188 0.432 18547 1705 1 2 . 1 1 136 136 GLY N N 126 112.200 112.200 108.697 3.503 18547 1706 1 2 . 1 1 136 136 GLY C C 126 174.800 174.800 175.537 -0.737 18547 1707 1 2 . 1 1 136 136 GLY CA C 126 47.200 47.200 46.672 0.527 18547 1708 1 2 . 1 1 136 136 GLY H H 126 7.750 7.750 7.665 0.085 18547 1709 1 2 . 1 1 137 137 VAL N N 127 119.100 119.100 122.643 -3.543 18547 1710 1 2 . 1 1 137 137 VAL HA H 127 3.510 3.510 3.890 -0.380 18547 1711 1 2 . 1 1 137 137 VAL C C 127 179.100 179.100 177.930 1.170 18547 1712 1 2 . 1 1 137 137 VAL CA C 127 67.400 67.400 66.119 1.281 18547 1713 1 2 . 1 1 137 137 VAL CB C 127 32.500 32.500 31.533 0.967 18547 1714 1 2 . 1 1 137 137 VAL H H 127 7.680 7.680 7.304 0.376 18547 1715 1 2 . 1 1 138 138 GLY N N 128 106.300 106.300 107.087 -0.787 18547 1716 1 2 . 1 1 138 138 GLY C C 128 177.900 177.900 175.874 2.026 18547 1717 1 2 . 1 1 138 138 GLY CA C 128 47.300 47.300 47.020 0.279 18547 1718 1 2 . 1 1 138 138 GLY H H 128 8.210 8.210 7.949 0.261 18547 1719 1 2 . 1 1 139 139 TRP N N 129 122.500 122.500 121.219 1.281 18547 1720 1 2 . 1 1 139 139 TRP HA H 129 4.890 4.890 4.506 0.384 18547 1721 1 2 . 1 1 139 139 TRP C C 129 179.100 179.100 177.824 1.276 18547 1722 1 2 . 1 1 139 139 TRP CA C 129 59.800 59.800 58.937 0.863 18547 1723 1 2 . 1 1 139 139 TRP CB C 129 30.100 30.100 29.939 0.161 18547 1724 1 2 . 1 1 139 139 TRP H H 129 8.880 8.880 7.831 1.049 18547 1725 1 2 . 1 1 140 140 GLU N N 130 119.000 119.000 120.516 -1.516 18547 1726 1 2 . 1 1 140 140 GLU HA H 130 4.020 4.020 4.014 0.006 18547 1727 1 2 . 1 1 140 140 GLU C C 130 179.300 179.300 178.900 0.400 18547 1728 1 2 . 1 1 140 140 GLU CA C 130 62.900 62.900 59.308 3.592 18547 1729 1 2 . 1 1 140 140 GLU CB C 130 30.600 30.600 29.601 0.999 18547 1730 1 2 . 1 1 140 140 GLU H H 130 8.210 8.210 7.760 0.450 18547 1731 1 2 . 1 1 141 141 MET N N 131 117.100 117.100 119.003 -1.903 18547 1732 1 2 . 1 1 141 141 MET HA H 131 4.330 4.330 4.056 0.274 18547 1733 1 2 . 1 1 141 141 MET C C 131 178.500 178.500 177.953 0.547 18547 1734 1 2 . 1 1 141 141 MET CA C 131 57.700 57.700 59.130 -1.430 18547 1735 1 2 . 1 1 141 141 MET CB C 131 30.600 30.600 32.712 -2.112 18547 1736 1 2 . 1 1 141 141 MET H H 131 8.210 8.210 8.079 0.131 18547 1737 1 2 . 1 1 142 142 ALA N N 132 121.400 121.400 122.697 -1.297 18547 1738 1 2 . 1 1 142 142 ALA HA H 132 4.720 4.720 4.608 0.112 18547 1739 1 2 . 1 1 142 142 ALA C C 132 180.900 180.900 180.219 0.681 18547 1740 1 2 . 1 1 142 142 ALA CA C 132 55.700 55.700 55.232 0.468 18547 1741 1 2 . 1 1 142 142 ALA CB C 132 18.200 18.200 18.842 -0.642 18547 1742 1 2 . 1 1 142 142 ALA H H 132 7.910 7.910 7.862 0.048 18547 1743 1 2 . 1 1 143 143 LEU N N 133 117.200 117.200 117.109 0.091 18547 1744 1 2 . 1 1 143 143 LEU HA H 133 4.150 4.150 4.347 -0.197 18547 1745 1 2 . 1 1 143 143 LEU C C 133 180.300 180.300 179.191 1.109 18547 1746 1 2 . 1 1 143 143 LEU CA C 133 57.300 57.300 56.213 1.087 18547 1747 1 2 . 1 1 143 143 LEU CB C 133 40.600 40.600 40.655 -0.055 18547 1748 1 2 . 1 1 143 143 LEU H H 133 9.190 9.190 8.569 0.621 18547 1749 1 2 . 1 1 144 144 ASP N N 134 122.600 122.600 122.080 0.520 18547 1750 1 2 . 1 1 144 144 ASP HA H 134 4.580 4.580 4.365 0.215 18547 1751 1 2 . 1 1 144 144 ASP C C 134 179.900 179.900 178.333 1.567 18547 1752 1 2 . 1 1 144 144 ASP CA C 134 57.800 57.800 57.610 0.190 18547 1753 1 2 . 1 1 144 144 ASP CB C 134 39.800 39.800 40.831 -1.031 18547 1754 1 2 . 1 1 144 144 ASP H H 134 7.930 7.930 8.265 -0.335 18547 1755 1 2 . 1 1 145 145 PHE N N 135 119.300 119.300 118.053 1.247 18547 1756 1 2 . 1 1 145 145 PHE HA H 135 4.580 4.580 4.414 0.166 18547 1757 1 2 . 1 1 145 145 PHE C C 135 178.000 178.000 177.945 0.055 18547 1758 1 2 . 1 1 145 145 PHE CA C 135 61.700 61.700 60.958 0.742 18547 1759 1 2 . 1 1 145 145 PHE CB C 135 39.400 39.400 38.970 0.430 18547 1760 1 2 . 1 1 145 145 PHE H H 135 7.690 7.690 8.133 -0.443 18547 1761 1 2 . 1 1 146 146 LEU N N 136 124.400 124.400 121.606 2.794 18547 1762 1 2 . 1 1 146 146 LEU HA H 136 3.200 3.200 4.043 -0.843 18547 1763 1 2 . 1 1 146 146 LEU C C 136 178.800 178.800 178.421 0.379 18547 1764 1 2 . 1 1 146 146 LEU CA C 136 58.400 58.400 57.175 1.224 18547 1765 1 2 . 1 1 146 146 LEU CB C 136 38.800 38.800 40.958 -2.158 18547 1766 1 2 . 1 1 146 146 LEU H H 136 7.930 7.930 8.331 -0.401 18547 1767 1 2 . 1 1 147 147 GLY N N 137 104.200 104.200 107.033 -2.833 18547 1768 1 2 . 1 1 147 147 GLY C C 137 176.100 176.100 175.800 0.300 18547 1769 1 2 . 1 1 147 147 GLY CA C 137 47.900 47.900 47.220 0.680 18547 1770 1 2 . 1 1 147 147 GLY H H 137 8.340 8.340 8.136 0.204 18547 1771 1 2 . 1 1 148 148 MET N N 138 119.300 119.300 122.156 -2.856 18547 1772 1 2 . 1 1 148 148 MET HA H 138 4.090 4.090 4.145 -0.055 18547 1773 1 2 . 1 1 148 148 MET C C 138 177.700 177.700 177.660 0.040 18547 1774 1 2 . 1 1 148 148 MET CA C 138 59.400 59.400 58.960 0.440 18547 1775 1 2 . 1 1 148 148 MET CB C 138 34.500 34.500 32.848 1.652 18547 1776 1 2 . 1 1 148 148 MET H H 138 7.550 7.550 7.788 -0.238 18547 1777 1 2 . 1 1 149 149 PHE N N 139 120.400 120.400 121.091 -0.691 18547 1778 1 2 . 1 1 149 149 PHE HA H 139 4.380 4.380 4.464 -0.084 18547 1779 1 2 . 1 1 149 149 PHE C C 139 179.100 179.100 176.902 2.198 18547 1780 1 2 . 1 1 149 149 PHE CA C 139 60.800 60.800 61.288 -0.488 18547 1781 1 2 . 1 1 149 149 PHE CB C 139 39.200 39.200 39.220 -0.020 18547 1782 1 2 . 1 1 149 149 PHE H H 139 8.600 8.600 8.118 0.482 18547 1783 1 2 . 1 1 150 150 ILE N N 140 121.300 121.300 116.177 5.123 18547 1784 1 2 . 1 1 150 150 ILE HA H 140 3.420 3.420 3.639 -0.219 18547 1785 1 2 . 1 1 150 150 ILE C C 140 177.500 177.500 177.891 -0.391 18547 1786 1 2 . 1 1 150 150 ILE CA C 140 63.100 63.100 63.107 -0.007 18547 1787 1 2 . 1 1 150 150 ILE CB C 140 37.100 37.100 37.895 -0.795 18547 1788 1 2 . 1 1 150 150 ILE H H 140 8.780 8.780 8.014 0.766 18547 1789 1 2 . 1 1 151 151 ARG N N 141 116.500 116.500 119.132 -2.632 18547 1790 1 2 . 1 1 151 151 ARG HA H 141 4.220 4.220 4.141 0.079 18547 1791 1 2 . 1 1 151 151 ARG C C 141 176.700 176.700 176.960 -0.260 18547 1792 1 2 . 1 1 151 151 ARG CA C 141 57.500 57.500 58.074 -0.574 18547 1793 1 2 . 1 1 151 151 ARG CB C 141 31.500 31.500 31.352 0.148 18547 1794 1 2 . 1 1 151 151 ARG H H 141 7.730 7.730 7.993 -0.263 18547 1795 1 2 . 1 1 152 152 GLY N N 142 106.800 106.800 106.303 0.497 18547 1796 1 2 . 1 1 152 152 GLY C C 142 174.900 174.900 173.572 1.328 18547 1797 1 2 . 1 1 152 152 GLY CA C 142 45.700 45.700 45.001 0.699 18547 1798 1 2 . 1 1 152 152 GLY H H 142 7.570 7.570 8.033 -0.463 18547 1799 1 2 . 1 1 153 153 ASP N N 143 119.400 119.400 121.571 -2.171 18547 1800 1 2 . 1 1 153 153 ASP HA H 143 4.780 4.780 5.034 -0.254 18547 1801 1 2 . 1 1 153 153 ASP C C 143 175.400 175.400 174.847 0.553 18547 1802 1 2 . 1 1 153 153 ASP CA C 143 54.200 54.200 53.402 0.798 18547 1803 1 2 . 1 1 153 153 ASP CB C 143 42.100 42.100 44.282 -2.182 18547 1804 1 2 . 1 1 153 153 ASP H H 143 8.290 8.290 7.981 0.309 18547 1805 1 2 . 1 1 154 154 LEU N N 144 121.300 121.300 121.697 -0.397 18547 1806 1 2 . 1 1 154 154 LEU HA H 144 4.810 4.810 4.953 -0.143 18547 1807 1 2 . 1 1 154 154 LEU CA C 144 52.800 52.800 53.489 -0.689 18547 1808 1 2 . 1 1 154 154 LEU CB C 144 42.500 42.500 43.693 -1.193 18547 1809 1 2 . 1 1 154 154 LEU H H 144 8.010 8.010 8.571 -0.561 18547 1810 1 2 . 1 1 155 155 PRO HA H 145 4.480 4.480 4.931 -0.451 18547 1811 1 2 . 1 1 155 155 PRO C C 145 177.600 177.600 177.264 0.336 18547 1812 1 2 . 1 1 155 155 PRO CA C 145 63.500 63.500 61.765 1.735 18547 1813 1 2 . 1 1 155 155 PRO CB C 145 32.200 32.200 33.337 -1.137 18547 1814 1 2 . 1 1 156 156 GLY N N 146 108.900 108.900 108.535 0.365 18547 1815 1 2 . 1 1 156 156 GLY C C 146 174.300 174.300 175.024 -0.724 18547 1816 1 2 . 1 1 156 156 GLY CA C 146 45.100 45.100 44.679 0.421 18547 1817 1 2 . 1 1 156 156 GLY H H 146 8.530 8.530 8.439 0.091 18547 1818 1 2 . 1 1 157 157 GLY N N 147 108.800 108.800 112.257 -3.457 18547 1819 1 2 . 1 1 157 157 GLY CA C 147 44.500 44.500 46.333 -1.833 18547 1820 1 2 . 1 1 157 157 GLY H H 147 8.080 8.080 7.884 0.196 18547 1821 1 2 . 1 1 158 158 PRO HA H 148 4.440 4.440 4.342 0.098 18547 1822 1 2 . 1 1 158 158 PRO C C 148 176.800 176.800 176.878 -0.078 18547 1823 1 2 . 1 1 158 158 PRO CA C 148 63.000 63.000 63.971 -0.971 18547 1824 1 2 . 1 1 158 158 PRO CB C 148 32.100 32.100 31.752 0.348 18547 1825 1 2 . 1 1 159 159 VAL N N 149 121.400 121.400 113.924 7.476 18547 1826 1 2 . 1 1 159 159 VAL HA H 149 4.390 4.390 4.423 -0.033 18547 1827 1 2 . 1 1 159 159 VAL CA C 149 59.800 59.800 59.711 0.089 18547 1828 1 2 . 1 1 159 159 VAL CB C 149 32.600 32.600 31.616 0.984 18547 1829 1 2 . 1 1 159 159 VAL H H 149 8.220 8.220 7.710 0.510 18547 1830 1 2 . 1 1 160 160 PRO HA H 150 4.380 4.380 4.540 -0.160 18547 1831 1 2 . 1 1 160 160 PRO C C 150 177.200 177.200 177.404 -0.204 18547 1832 1 2 . 1 1 160 160 PRO CA C 150 63.300 63.300 63.995 -0.695 18547 1833 1 2 . 1 1 160 160 PRO CB C 150 32.100 32.100 32.259 -0.159 18547 1834 1 2 . 1 1 161 161 GLU N N 151 120.700 120.700 120.124 0.576 18547 1835 1 2 . 1 1 161 161 GLU HA H 151 4.170 4.170 4.180 -0.010 18547 1836 1 2 . 1 1 161 161 GLU CA C 151 57.400 57.400 58.141 -0.741 18547 1837 1 2 . 1 1 161 161 GLU CB C 151 29.900 29.900 29.591 0.309 18547 1838 1 2 . 1 1 161 161 GLU H H 151 8.620 8.620 8.472 0.148 18547 1839 1 2 . 1 1 162 162 ASP N N 152 119.900 119.900 114.822 5.078 18547 1840 1 2 . 1 1 162 162 ASP HA H 152 4.570 4.570 4.570 0.000 18547 1841 1 2 . 1 1 162 162 ASP C C 152 176.000 176.000 175.095 0.905 18547 1842 1 2 . 1 1 162 162 ASP CA C 152 54.200 54.200 54.774 -0.574 18547 1843 1 2 . 1 1 162 162 ASP CB C 152 41.000 41.000 42.183 -1.183 18547 1844 1 2 . 1 1 162 162 ASP H H 152 8.250 8.250 8.216 0.034 18547 1845 1 2 . 1 1 163 163 ALA N N 153 124.000 124.000 121.910 2.090 18547 1846 1 2 . 1 1 163 163 ALA HA H 153 4.270 4.270 4.164 0.106 18547 1847 1 2 . 1 1 163 163 ALA C C 153 177.400 177.400 176.353 1.047 18547 1848 1 2 . 1 1 163 163 ALA CA C 153 52.700 52.700 52.854 -0.154 18547 1849 1 2 . 1 1 163 163 ALA CB C 153 19.200 19.200 17.003 2.197 18547 1850 1 2 . 1 1 163 163 ALA H H 153 8.040 8.040 8.213 -0.173 18547 1851 1 2 . 1 1 164 164 ALA N N 154 122.600 122.600 122.240 0.360 18547 1852 1 2 . 1 1 164 164 ALA HA H 154 4.260 4.260 4.221 0.039 18547 1853 1 2 . 1 1 164 164 ALA C C 154 177.900 177.900 177.054 0.846 18547 1854 1 2 . 1 1 164 164 ALA CA C 154 52.600 52.600 53.486 -0.886 18547 1855 1 2 . 1 1 164 164 ALA CB C 154 19.300 19.300 20.165 -0.865 18547 1856 1 2 . 1 1 164 164 ALA H H 154 8.190 8.190 7.935 0.255 18547 1857 1 2 . 1 1 165 165 GLU N N 155 119.400 119.400 117.518 1.882 18547 1858 1 2 . 1 1 165 165 GLU HA H 155 4.220 4.220 4.493 -0.273 18547 1859 1 2 . 1 1 165 165 GLU C C 155 176.200 176.200 175.749 0.451 18547 1860 1 2 . 1 1 165 165 GLU CA C 155 56.500 56.500 55.659 0.841 18547 1861 1 2 . 1 1 165 165 GLU CB C 155 30.300 30.300 31.837 -1.536 18547 1862 1 2 . 1 1 165 165 GLU H H 155 8.190 8.190 8.048 0.142 18547 1863 1 2 . 1 1 166 166 GLU N N 156 121.000 121.000 119.956 1.044 18547 1864 1 2 . 1 1 166 166 GLU HA H 156 4.240 4.240 4.028 0.212 18547 1865 1 2 . 1 1 166 166 GLU C C 156 175.800 175.800 175.961 -0.161 18547 1866 1 2 . 1 1 166 166 GLU CA C 156 56.300 56.300 58.635 -2.335 18547 1867 1 2 . 1 1 166 166 GLU CB C 156 30.300 30.300 29.830 0.470 18547 1868 1 2 . 1 1 166 166 GLU H H 156 8.230 8.230 8.871 -0.641 18547 1869 1 2 . 1 1 167 167 PHE N N 157 121.400 121.400 120.724 0.676 18547 1870 1 2 . 1 1 167 167 PHE HA H 157 4.590 4.590 4.686 -0.096 18547 1871 1 2 . 1 1 167 167 PHE C C 157 175.100 175.100 173.683 1.417 18547 1872 1 2 . 1 1 167 167 PHE CA C 157 57.700 57.700 58.361 -0.661 18547 1873 1 2 . 1 1 167 167 PHE CB C 157 39.900 39.900 40.232 -0.332 18547 1874 1 2 . 1 1 167 167 PHE H H 157 8.240 8.240 8.192 0.048 18547 1875 1 2 . 1 1 168 168 GLU N N 158 124.400 124.400 128.150 -3.750 18547 1876 1 2 . 1 1 168 168 GLU HA H 158 4.600 4.600 4.562 0.038 18547 1877 1 2 . 1 1 168 168 GLU CA C 158 53.700 53.700 52.496 1.204 18547 1878 1 2 . 1 1 168 168 GLU CB C 158 30.400 30.400 30.579 -0.179 18547 1879 1 2 . 1 1 168 168 GLU H H 158 8.130 8.130 8.190 -0.060 18547 1880 1 2 . 1 1 169 169 PRO HA H 159 4.460 4.460 4.086 0.374 18547 1881 1 2 . 1 1 169 169 PRO C C 159 176.200 176.200 175.808 0.392 18547 1882 1 2 . 1 1 169 169 PRO CA C 159 62.800 62.800 63.370 -0.570 18547 1883 1 2 . 1 1 169 169 PRO CB C 159 32.300 32.300 31.222 1.078 18547 1884 1 2 . 1 1 170 170 SER N N 160 118.600 118.600 119.325 -0.725 18547 1885 1 2 . 1 1 170 170 SER HA H 160 4.780 4.780 4.730 0.050 18547 1886 1 2 . 1 1 170 170 SER CA C 160 56.200 56.200 55.889 0.311 18547 1887 1 2 . 1 1 170 170 SER CB C 160 63.200 63.200 64.613 -1.413 18547 1888 1 2 . 1 1 170 170 SER H H 160 8.290 8.290 7.579 0.711 18547 1889 1 2 . 1 1 171 171 PRO HA H 161 4.350 4.350 4.259 0.091 18547 1890 1 2 . 1 1 171 171 PRO C C 161 179.400 179.400 178.261 1.139 18547 1891 1 2 . 1 1 171 171 PRO CA C 161 65.500 65.500 65.601 -0.101 18547 1892 1 2 . 1 1 171 171 PRO CB C 161 31.700 31.700 32.104 -0.404 18547 1893 1 2 . 1 1 172 172 GLU N N 162 118.300 118.300 118.018 0.282 18547 1894 1 2 . 1 1 172 172 GLU HA H 162 4.160 4.160 4.132 0.028 18547 1895 1 2 . 1 1 172 172 GLU C C 162 178.300 178.300 178.564 -0.264 18547 1896 1 2 . 1 1 172 172 GLU CA C 162 59.300 59.300 58.981 0.319 18547 1897 1 2 . 1 1 172 172 GLU CB C 162 29.400 29.400 29.142 0.258 18547 1898 1 2 . 1 1 172 172 GLU H H 162 8.540 8.540 8.126 0.414 18547 1899 1 2 . 1 1 173 173 MET N N 163 119.400 119.400 118.922 0.478 18547 1900 1 2 . 1 1 173 173 MET HA H 163 4.260 4.260 4.267 -0.007 18547 1901 1 2 . 1 1 173 173 MET C C 163 179.200 179.200 178.482 0.718 18547 1902 1 2 . 1 1 173 173 MET CA C 163 58.200 58.200 57.503 0.697 18547 1903 1 2 . 1 1 173 173 MET CB C 163 32.500 32.500 32.324 0.176 18547 1904 1 2 . 1 1 173 173 MET H H 163 7.830 7.830 7.554 0.276 18547 1905 1 2 . 1 1 174 174 MET N N 164 119.300 119.300 117.377 1.923 18547 1906 1 2 . 1 1 174 174 MET HA H 164 4.260 4.260 4.404 -0.144 18547 1907 1 2 . 1 1 174 174 MET C C 164 178.600 178.600 178.226 0.374 18547 1908 1 2 . 1 1 174 174 MET CA C 164 58.200 58.200 57.925 0.276 18547 1909 1 2 . 1 1 174 174 MET CB C 164 31.900 31.900 31.507 0.393 18547 1910 1 2 . 1 1 174 174 MET H H 164 8.320 8.320 8.130 0.190 18547 1911 1 2 . 1 1 175 175 ARG N N 165 121.200 121.200 120.457 0.743 18547 1912 1 2 . 1 1 175 175 ARG HA H 165 4.160 4.160 4.062 0.098 18547 1913 1 2 . 1 1 175 175 ARG C C 165 178.800 178.800 178.378 0.422 18547 1914 1 2 . 1 1 175 175 ARG CA C 165 59.400 59.400 59.812 -0.412 18547 1915 1 2 . 1 1 175 175 ARG CB C 165 29.900 29.900 30.349 -0.449 18547 1916 1 2 . 1 1 175 175 ARG H H 165 8.020 8.020 7.541 0.479 18547 1917 1 2 . 1 1 176 176 ILE N N 166 120.500 120.500 119.359 1.141 18547 1918 1 2 . 1 1 176 176 ILE HA H 166 3.920 3.920 3.918 0.002 18547 1919 1 2 . 1 1 176 176 ILE C C 166 178.500 178.500 177.307 1.193 18547 1920 1 2 . 1 1 176 176 ILE CA C 166 64.500 64.500 63.946 0.554 18547 1921 1 2 . 1 1 176 176 ILE CB C 166 37.900 37.900 38.117 -0.217 18547 1922 1 2 . 1 1 176 176 ILE H H 166 8.110 8.110 8.084 0.026 18547 1923 1 2 . 1 1 177 177 SER N N 167 116.300 116.300 116.513 -0.213 18547 1924 1 2 . 1 1 177 177 SER HA H 167 4.240 4.240 4.221 0.019 18547 1925 1 2 . 1 1 177 177 SER C C 167 177.300 177.300 177.031 0.269 18547 1926 1 2 . 1 1 177 177 SER CA C 167 62.500 62.500 61.521 0.979 18547 1927 1 2 . 1 1 177 177 SER CB C 167 62.800 62.800 63.142 -0.342 18547 1928 1 2 . 1 1 177 177 SER H H 167 8.290 8.290 7.919 0.371 18547 1929 1 2 . 1 1 178 178 GLN N N 168 123.300 123.300 121.954 1.346 18547 1930 1 2 . 1 1 178 178 GLN HA H 168 4.110 4.110 4.049 0.061 18547 1931 1 2 . 1 1 178 178 GLN C C 168 178.600 178.600 178.181 0.419 18547 1932 1 2 . 1 1 178 178 GLN CA C 168 59.200 59.200 58.537 0.663 18547 1933 1 2 . 1 1 178 178 GLN CB C 168 28.000 28.000 27.946 0.054 18547 1934 1 2 . 1 1 178 178 GLN H H 168 8.080 8.080 8.073 0.007 18547 1935 1 2 . 1 1 179 179 GLU N N 169 121.200 121.200 119.126 2.074 18547 1936 1 2 . 1 1 179 179 GLU HA H 169 4.090 4.090 3.934 0.156 18547 1937 1 2 . 1 1 179 179 GLU C C 169 180.500 180.500 179.336 1.164 18547 1938 1 2 . 1 1 179 179 GLU CA C 169 59.500 59.500 59.596 -0.096 18547 1939 1 2 . 1 1 179 179 GLU CB C 169 29.700 29.700 29.430 0.270 18547 1940 1 2 . 1 1 179 179 GLU H H 169 8.380 8.380 8.127 0.253 18547 1941 1 2 . 1 1 180 180 ARG N N 170 120.800 120.800 117.977 2.823 18547 1942 1 2 . 1 1 180 180 ARG HA H 170 4.010 4.010 4.218 -0.208 18547 1943 1 2 . 1 1 180 180 ARG C C 170 178.100 178.100 179.067 -0.967 18547 1944 1 2 . 1 1 180 180 ARG CA C 170 59.900 59.900 59.056 0.844 18547 1945 1 2 . 1 1 180 180 ARG CB C 170 30.600 30.600 29.959 0.641 18547 1946 1 2 . 1 1 180 180 ARG H H 170 8.670 8.670 8.019 0.651 18547 1947 1 2 . 1 1 181 181 GLY N N 171 108.200 108.200 105.663 2.537 18547 1948 1 2 . 1 1 181 181 GLY C C 171 176.600 176.600 176.508 0.092 18547 1949 1 2 . 1 1 181 181 GLY CA C 171 47.800 47.800 46.466 1.334 18547 1950 1 2 . 1 1 181 181 GLY H H 171 8.550 8.550 8.003 0.547 18547 1951 1 2 . 1 1 182 182 GLU N N 172 121.900 121.900 122.254 -0.354 18547 1952 1 2 . 1 1 182 182 GLU HA H 172 4.110 4.110 4.185 -0.075 18547 1953 1 2 . 1 1 182 182 GLU C C 172 179.300 179.300 178.496 0.804 18547 1954 1 2 . 1 1 182 182 GLU CA C 172 59.300 59.300 58.575 0.725 18547 1955 1 2 . 1 1 182 182 GLU CB C 172 29.300 29.300 29.651 -0.351 18547 1956 1 2 . 1 1 182 182 GLU H H 172 8.190 8.190 8.573 -0.383 18547 1957 1 2 . 1 1 183 183 ALA N N 173 123.500 123.500 123.219 0.281 18547 1958 1 2 . 1 1 183 183 ALA HA H 173 4.150 4.150 4.034 0.116 18547 1959 1 2 . 1 1 183 183 ALA C C 173 181.500 181.500 179.203 2.297 18547 1960 1 2 . 1 1 183 183 ALA CA C 173 55.000 55.000 54.822 0.179 18547 1961 1 2 . 1 1 183 183 ALA CB C 173 17.100 17.100 18.011 -0.911 18547 1962 1 2 . 1 1 183 183 ALA H H 173 7.800 7.800 7.513 0.287 18547 1963 1 2 . 1 1 184 184 TRP N N 174 118.100 118.100 118.587 -0.487 18547 1964 1 2 . 1 1 184 184 TRP HA H 174 4.540 4.540 4.254 0.286 18547 1965 1 2 . 1 1 184 184 TRP C C 174 178.500 178.500 178.132 0.368 18547 1966 1 2 . 1 1 184 184 TRP CA C 174 60.600 60.600 59.731 0.869 18547 1967 1 2 . 1 1 184 184 TRP CB C 174 30.800 30.800 29.155 1.645 18547 1968 1 2 . 1 1 184 184 TRP H H 174 8.400 8.400 7.741 0.659 18547 1969 1 2 . 1 1 185 185 ALA N N 175 121.700 121.700 122.175 -0.475 18547 1970 1 2 . 1 1 185 185 ALA HA H 175 3.920 3.920 3.714 0.206 18547 1971 1 2 . 1 1 185 185 ALA C C 175 179.600 179.600 178.545 1.055 18547 1972 1 2 . 1 1 185 185 ALA CA C 175 55.600 55.600 54.571 1.029 18547 1973 1 2 . 1 1 185 185 ALA CB C 175 17.900 17.900 17.756 0.143 18547 1974 1 2 . 1 1 185 185 ALA H H 175 8.800 8.800 7.721 1.079 18547 1975 1 2 . 1 1 186 186 ALA N N 176 119.000 119.000 121.430 -2.430 18547 1976 1 2 . 1 1 186 186 ALA HA H 176 4.190 4.190 3.966 0.224 18547 1977 1 2 . 1 1 186 186 ALA C C 176 180.300 180.300 179.926 0.374 18547 1978 1 2 . 1 1 186 186 ALA CA C 176 54.800 54.800 54.818 -0.018 18547 1979 1 2 . 1 1 186 186 ALA CB C 176 17.900 17.900 18.274 -0.374 18547 1980 1 2 . 1 1 186 186 ALA H H 176 7.860 7.860 7.465 0.395 18547 1981 1 2 . 1 1 187 187 LEU N N 177 118.500 118.500 118.030 0.470 18547 1982 1 2 . 1 1 187 187 LEU HA H 177 4.210 4.210 4.016 0.194 18547 1983 1 2 . 1 1 187 187 LEU C C 177 179.400 179.400 178.486 0.914 18547 1984 1 2 . 1 1 187 187 LEU CA C 177 57.600 57.600 57.325 0.274 18547 1985 1 2 . 1 1 187 187 LEU CB C 177 42.700 42.700 42.129 0.571 18547 1986 1 2 . 1 1 187 187 LEU H H 177 7.460 7.460 7.723 -0.263 18547 1987 1 2 . 1 1 188 188 VAL N N 178 118.500 118.500 116.578 1.922 18547 1988 1 2 . 1 1 188 188 VAL HA H 178 3.660 3.660 3.881 -0.221 18547 1989 1 2 . 1 1 188 188 VAL C C 178 177.600 177.600 178.536 -0.936 18547 1990 1 2 . 1 1 188 188 VAL CA C 178 66.000 66.000 63.622 2.378 18547 1991 1 2 . 1 1 188 188 VAL CB C 178 32.400 32.400 32.097 0.303 18547 1992 1 2 . 1 1 188 188 VAL H H 178 8.640 8.640 7.465 1.175 18547 1993 1 2 . 1 1 189 189 HIS N N 179 116.000 116.000 119.403 -3.403 18547 1994 1 2 . 1 1 189 189 HIS HA H 179 4.780 4.780 4.498 0.282 18547 1995 1 2 . 1 1 189 189 HIS C C 179 175.300 175.300 175.883 -0.583 18547 1996 1 2 . 1 1 189 189 HIS CA C 179 56.200 56.200 57.865 -1.665 18547 1997 1 2 . 1 1 189 189 HIS CB C 179 28.500 28.500 29.892 -1.391 18547 1998 1 2 . 1 1 189 189 HIS H H 179 8.150 8.150 7.753 0.397 18547 1999 1 2 . 1 1 190 190 SER N N 180 115.000 115.000 112.050 2.950 18547 2000 1 2 . 1 1 190 190 SER HA H 180 4.480 4.480 4.588 -0.108 18547 2001 1 2 . 1 1 190 190 SER C C 180 175.100 175.100 175.328 -0.228 18547 2002 1 2 . 1 1 190 190 SER CA C 180 59.500 59.500 58.213 1.287 18547 2003 1 2 . 1 1 190 190 SER CB C 180 64.000 64.000 63.296 0.704 18547 2004 1 2 . 1 1 190 190 SER H H 180 7.820 7.820 7.607 0.213 18547 2005 1 2 . 1 1 191 191 GLY N N 181 111.100 111.100 110.017 1.083 18547 2006 1 2 . 1 1 191 191 GLY C C 181 173.400 173.400 174.256 -0.856 18547 2007 1 2 . 1 1 191 191 GLY CA C 181 45.500 45.500 46.200 -0.700 18547 2008 1 2 . 1 1 191 191 GLY H H 181 8.330 8.330 7.679 0.651 18547 2009 1 3 . 1 1 12 12 ALA N N 2 125.600 125.600 127.902 -2.302 18547 2010 1 3 . 1 1 12 12 ALA HA H 2 4.300 4.300 4.749 -0.449 18547 2011 1 3 . 1 1 12 12 ALA C C 2 177.600 177.600 177.030 0.570 18547 2012 1 3 . 1 1 12 12 ALA CA C 2 52.600 52.600 52.006 0.594 18547 2013 1 3 . 1 1 12 12 ALA CB C 2 19.200 19.200 19.500 -0.300 18547 2014 1 3 . 1 1 12 12 ALA H H 2 8.380 8.380 8.708 -0.328 18547 2015 1 3 . 1 1 13 13 SER N N 3 115.000 115.000 117.179 -2.179 18547 2016 1 3 . 1 1 13 13 SER HA H 3 4.390 4.390 4.568 -0.178 18547 2017 1 3 . 1 1 13 13 SER C C 3 175.100 175.100 173.588 1.512 18547 2018 1 3 . 1 1 13 13 SER CA C 3 58.500 58.500 58.837 -0.337 18547 2019 1 3 . 1 1 13 13 SER CB C 3 63.800 63.800 66.095 -2.295 18547 2020 1 3 . 1 1 13 13 SER H H 3 8.250 8.250 8.881 -0.631 18547 2021 1 3 . 1 1 14 14 GLY N N 4 110.700 110.700 109.186 1.514 18547 2022 1 3 . 1 1 14 14 GLY C C 4 174.000 174.000 172.106 1.894 18547 2023 1 3 . 1 1 14 14 GLY CA C 4 45.400 45.400 45.605 -0.205 18547 2024 1 3 . 1 1 14 14 GLY H H 4 8.390 8.390 7.934 0.456 18547 2025 1 3 . 1 1 15 15 GLN N N 5 120.100 120.100 116.583 3.517 18547 2026 1 3 . 1 1 15 15 GLN HA H 5 4.310 4.310 4.372 -0.062 18547 2027 1 3 . 1 1 15 15 GLN C C 5 175.500 175.500 174.883 0.617 18547 2028 1 3 . 1 1 15 15 GLN CA C 5 55.600 55.600 53.580 2.020 18547 2029 1 3 . 1 1 15 15 GLN CB C 5 29.700 29.700 27.319 2.381 18547 2030 1 3 . 1 1 15 15 GLN H H 5 8.190 8.190 7.913 0.277 18547 2031 1 3 . 1 1 16 16 ALA N N 6 126.000 126.000 125.343 0.657 18547 2032 1 3 . 1 1 16 16 ALA HA H 6 4.360 4.360 4.429 -0.069 18547 2033 1 3 . 1 1 16 16 ALA C C 6 177.300 177.300 176.307 0.993 18547 2034 1 3 . 1 1 16 16 ALA CA C 6 52.300 52.300 51.347 0.953 18547 2035 1 3 . 1 1 16 16 ALA CB C 6 19.200 19.200 17.680 1.520 18547 2036 1 3 . 1 1 16 16 ALA H H 6 8.400 8.400 7.821 0.579 18547 2037 1 3 . 1 1 17 17 THR N N 7 119.200 119.200 120.562 -1.362 18547 2038 1 3 . 1 1 17 17 THR HA H 7 4.370 4.370 4.924 -0.554 18547 2039 1 3 . 1 1 17 17 THR C C 7 173.600 173.600 173.960 -0.360 18547 2040 1 3 . 1 1 17 17 THR CA C 7 63.200 63.200 62.670 0.530 18547 2041 1 3 . 1 1 17 17 THR CB C 7 70.600 70.600 69.418 1.182 18547 2042 1 3 . 1 1 17 17 THR H H 7 8.180 8.180 7.796 0.384 18547 2043 1 3 . 1 1 18 18 GLU N N 8 127.500 127.500 128.368 -0.868 18547 2044 1 3 . 1 1 18 18 GLU HA H 8 4.540 4.540 4.639 -0.099 18547 2045 1 3 . 1 1 18 18 GLU C C 8 174.200 174.200 175.576 -1.376 18547 2046 1 3 . 1 1 18 18 GLU CA C 8 55.100 55.100 54.185 0.914 18547 2047 1 3 . 1 1 18 18 GLU CB C 8 31.900 31.900 31.705 0.195 18547 2048 1 3 . 1 1 18 18 GLU H H 8 8.810 8.810 8.703 0.107 18547 2049 1 3 . 1 1 19 19 ARG N N 9 122.100 122.100 123.344 -1.244 18547 2050 1 3 . 1 1 19 19 ARG HA H 9 5.060 5.060 4.819 0.241 18547 2051 1 3 . 1 1 19 19 ARG C C 9 175.000 175.000 175.600 -0.600 18547 2052 1 3 . 1 1 19 19 ARG CA C 9 54.800 54.800 54.476 0.324 18547 2053 1 3 . 1 1 19 19 ARG CB C 9 31.600 31.600 30.253 1.347 18547 2054 1 3 . 1 1 19 19 ARG H H 9 8.070 8.070 8.642 -0.572 18547 2055 1 3 . 1 1 20 20 ALA N N 10 126.300 126.300 122.186 4.114 18547 2056 1 3 . 1 1 20 20 ALA HA H 10 4.640 4.640 4.591 0.049 18547 2057 1 3 . 1 1 20 20 ALA C C 10 173.800 173.800 174.967 -1.167 18547 2058 1 3 . 1 1 20 20 ALA CA C 10 51.100 51.100 51.772 -0.672 18547 2059 1 3 . 1 1 20 20 ALA CB C 10 22.800 22.800 21.545 1.255 18547 2060 1 3 . 1 1 20 20 ALA H H 10 9.390 9.390 8.373 1.016 18547 2061 1 3 . 1 1 21 21 LEU N N 11 117.500 117.500 119.862 -2.362 18547 2062 1 3 . 1 1 21 21 LEU HA H 11 5.790 5.790 5.384 0.406 18547 2063 1 3 . 1 1 21 21 LEU C C 11 178.100 178.100 175.589 2.511 18547 2064 1 3 . 1 1 21 21 LEU CA C 11 53.100 53.100 53.747 -0.647 18547 2065 1 3 . 1 1 21 21 LEU CB C 11 45.400 45.400 46.294 -0.894 18547 2066 1 3 . 1 1 21 21 LEU H H 11 8.280 8.280 8.303 -0.023 18547 2067 1 3 . 1 1 22 22 GLY N N 12 113.400 113.400 109.677 3.723 18547 2068 1 3 . 1 1 22 22 GLY C C 12 174.800 174.800 172.047 2.753 18547 2069 1 3 . 1 1 22 22 GLY CA C 12 44.500 44.500 45.776 -1.276 18547 2070 1 3 . 1 1 22 22 GLY H H 12 8.830 8.830 8.961 -0.131 18547 2071 1 3 . 1 1 23 23 ARG N N 13 119.600 119.600 118.153 1.447 18547 2072 1 3 . 1 1 23 23 ARG HA H 13 5.040 5.040 4.591 0.449 18547 2073 1 3 . 1 1 23 23 ARG C C 13 174.900 174.900 174.260 0.640 18547 2074 1 3 . 1 1 23 23 ARG CA C 13 55.800 55.800 55.219 0.581 18547 2075 1 3 . 1 1 23 23 ARG CB C 13 33.600 33.600 33.399 0.201 18547 2076 1 3 . 1 1 23 23 ARG H H 13 8.160 8.160 8.267 -0.107 18547 2077 1 3 . 1 1 24 24 ARG N N 14 121.900 121.900 118.032 3.868 18547 2078 1 3 . 1 1 24 24 ARG HA H 14 4.530 4.530 4.603 -0.073 18547 2079 1 3 . 1 1 24 24 ARG C C 14 174.000 174.000 174.241 -0.241 18547 2080 1 3 . 1 1 24 24 ARG CA C 14 55.200 55.200 55.281 -0.081 18547 2081 1 3 . 1 1 24 24 ARG CB C 14 34.700 34.700 32.728 1.972 18547 2082 1 3 . 1 1 24 24 ARG H H 14 8.780 8.780 8.688 0.092 18547 2083 1 3 . 1 1 25 25 THR N N 15 121.700 121.700 118.151 3.549 18547 2084 1 3 . 1 1 25 25 THR HA H 15 4.420 4.420 4.768 -0.348 18547 2085 1 3 . 1 1 25 25 THR C C 15 173.700 173.700 174.356 -0.656 18547 2086 1 3 . 1 1 25 25 THR CA C 15 63.600 63.600 62.194 1.406 18547 2087 1 3 . 1 1 25 25 THR CB C 15 68.600 68.600 69.665 -1.065 18547 2088 1 3 . 1 1 25 25 THR H H 15 8.800 8.800 8.404 0.396 18547 2089 1 3 . 1 1 26 26 ILE N N 16 124.200 124.200 120.395 3.805 18547 2090 1 3 . 1 1 26 26 ILE HA H 16 4.940 4.940 4.860 0.080 18547 2091 1 3 . 1 1 26 26 ILE CA C 16 59.300 59.300 57.369 1.931 18547 2092 1 3 . 1 1 26 26 ILE CB C 16 38.200 38.200 38.725 -0.525 18547 2093 1 3 . 1 1 26 26 ILE H H 16 8.420 8.420 8.628 -0.208 18547 2094 1 3 . 1 1 27 27 PRO HA H 17 4.180 4.180 4.188 -0.008 18547 2095 1 3 . 1 1 27 27 PRO C C 17 178.100 178.100 177.348 0.752 18547 2096 1 3 . 1 1 27 27 PRO CA C 17 67.200 67.200 65.542 1.658 18547 2097 1 3 . 1 1 27 27 PRO CB C 17 30.700 30.700 31.346 -0.646 18547 2098 1 3 . 1 1 28 28 ALA N N 18 114.800 114.800 119.403 -4.603 18547 2099 1 3 . 1 1 28 28 ALA HA H 18 4.270 4.270 4.232 0.038 18547 2100 1 3 . 1 1 28 28 ALA C C 18 177.000 177.000 177.705 -0.705 18547 2101 1 3 . 1 1 28 28 ALA CA C 18 53.100 53.100 53.217 -0.117 18547 2102 1 3 . 1 1 28 28 ALA CB C 18 19.500 19.500 19.344 0.156 18547 2103 1 3 . 1 1 28 28 ALA H H 18 8.060 8.060 8.389 -0.329 18547 2104 1 3 . 1 1 29 29 GLY N N 19 107.100 107.100 105.302 1.798 18547 2105 1 3 . 1 1 29 29 GLY C C 19 171.900 171.900 171.944 -0.044 18547 2106 1 3 . 1 1 29 29 GLY CA C 19 44.000 44.000 44.674 -0.674 18547 2107 1 3 . 1 1 29 29 GLY H H 19 8.140 8.140 7.543 0.597 18547 2108 1 3 . 1 1 30 30 GLU N N 20 120.000 120.000 119.805 0.195 18547 2109 1 3 . 1 1 30 30 GLU HA H 20 4.320 4.320 4.306 0.014 18547 2110 1 3 . 1 1 30 30 GLU C C 20 175.600 175.600 174.726 0.874 18547 2111 1 3 . 1 1 30 30 GLU CA C 20 57.300 57.300 56.297 1.003 18547 2112 1 3 . 1 1 30 30 GLU CB C 20 29.100 29.100 30.283 -1.183 18547 2113 1 3 . 1 1 30 30 GLU H H 20 8.380 8.380 8.504 -0.124 18547 2114 1 3 . 1 1 31 31 ALA N N 21 129.500 129.500 125.378 4.122 18547 2115 1 3 . 1 1 31 31 ALA HA H 21 4.610 4.610 4.693 -0.083 18547 2116 1 3 . 1 1 31 31 ALA C C 21 177.200 177.200 175.916 1.284 18547 2117 1 3 . 1 1 31 31 ALA CA C 21 51.200 51.200 51.004 0.196 18547 2118 1 3 . 1 1 31 31 ALA CB C 21 22.500 22.500 22.720 -0.220 18547 2119 1 3 . 1 1 31 31 ALA H H 21 8.660 8.660 8.304 0.356 18547 2120 1 3 . 1 1 32 32 ARG N N 22 120.400 120.400 118.719 1.681 18547 2121 1 3 . 1 1 32 32 ARG HA H 22 4.950 4.950 4.703 0.247 18547 2122 1 3 . 1 1 32 32 ARG C C 22 173.400 173.400 175.742 -2.342 18547 2123 1 3 . 1 1 32 32 ARG CA C 22 55.500 55.500 54.114 1.385 18547 2124 1 3 . 1 1 32 32 ARG CB C 22 32.500 32.500 32.182 0.318 18547 2125 1 3 . 1 1 32 32 ARG H H 22 8.090 8.090 8.152 -0.062 18547 2126 1 3 . 1 1 33 33 SER N N 23 113.800 113.800 114.738 -0.938 18547 2127 1 3 . 1 1 33 33 SER HA H 23 5.560 5.560 5.430 0.130 18547 2128 1 3 . 1 1 33 33 SER C C 23 174.500 174.500 173.845 0.655 18547 2129 1 3 . 1 1 33 33 SER CA C 23 55.600 55.600 56.734 -1.134 18547 2130 1 3 . 1 1 33 33 SER CB C 23 67.300 67.300 65.579 1.721 18547 2131 1 3 . 1 1 33 33 SER H H 23 8.080 8.080 8.447 -0.367 18547 2132 1 3 . 1 1 34 34 ILE N N 24 112.700 112.700 120.313 -7.613 18547 2133 1 3 . 1 1 34 34 ILE HA H 24 4.950 4.950 4.576 0.374 18547 2134 1 3 . 1 1 34 34 ILE C C 24 175.400 175.400 174.682 0.718 18547 2135 1 3 . 1 1 34 34 ILE CA C 24 58.300 58.300 60.674 -2.374 18547 2136 1 3 . 1 1 34 34 ILE CB C 24 39.900 39.900 38.475 1.425 18547 2137 1 3 . 1 1 34 34 ILE H H 24 7.980 7.980 8.391 -0.411 18547 2138 1 3 . 1 1 35 35 ILE N N 25 121.800 121.800 127.765 -5.965 18547 2139 1 3 . 1 1 35 35 ILE HA H 25 4.960 4.960 4.998 -0.038 18547 2140 1 3 . 1 1 35 35 ILE C C 25 174.800 174.800 175.142 -0.342 18547 2141 1 3 . 1 1 35 35 ILE CA C 25 60.700 60.700 59.495 1.206 18547 2142 1 3 . 1 1 35 35 ILE CB C 25 41.300 41.300 40.076 1.224 18547 2143 1 3 . 1 1 35 35 ILE H H 25 8.960 8.960 8.194 0.766 18547 2144 1 3 . 1 1 36 36 ILE N N 26 127.900 127.900 127.714 0.186 18547 2145 1 3 . 1 1 36 36 ILE HA H 26 4.770 4.770 4.518 0.252 18547 2146 1 3 . 1 1 36 36 ILE C C 26 175.000 175.000 174.973 0.027 18547 2147 1 3 . 1 1 36 36 ILE CA C 26 59.900 59.900 60.419 -0.519 18547 2148 1 3 . 1 1 36 36 ILE CB C 26 42.100 42.100 38.400 3.700 18547 2149 1 3 . 1 1 36 36 ILE H H 26 9.210 9.210 8.592 0.618 18547 2150 1 3 . 1 1 37 37 ARG N N 27 124.100 124.100 127.362 -3.262 18547 2151 1 3 . 1 1 37 37 ARG HA H 27 5.850 5.850 5.396 0.454 18547 2152 1 3 . 1 1 37 37 ARG C C 27 176.200 176.200 175.711 0.489 18547 2153 1 3 . 1 1 37 37 ARG CA C 27 54.100 54.100 54.840 -0.740 18547 2154 1 3 . 1 1 37 37 ARG CB C 27 32.900 32.900 32.382 0.518 18547 2155 1 3 . 1 1 37 37 ARG H H 27 8.670 8.670 8.647 0.023 18547 2156 1 3 . 1 1 38 38 GLN N N 28 122.900 122.900 121.298 1.602 18547 2157 1 3 . 1 1 38 38 GLN HA H 28 4.710 4.710 5.048 -0.338 18547 2158 1 3 . 1 1 38 38 GLN C C 28 173.200 173.200 174.346 -1.146 18547 2159 1 3 . 1 1 38 38 GLN CA C 28 54.400 54.400 54.679 -0.279 18547 2160 1 3 . 1 1 38 38 GLN CB C 28 35.200 35.200 32.551 2.649 18547 2161 1 3 . 1 1 38 38 GLN H H 28 9.310 9.310 8.595 0.715 18547 2162 1 3 . 1 1 39 39 ARG N N 29 121.400 121.400 124.331 -2.931 18547 2163 1 3 . 1 1 39 39 ARG HA H 29 5.260 5.260 5.038 0.222 18547 2164 1 3 . 1 1 39 39 ARG C C 29 175.400 175.400 175.456 -0.056 18547 2165 1 3 . 1 1 39 39 ARG CA C 29 55.100 55.100 54.371 0.729 18547 2166 1 3 . 1 1 39 39 ARG CB C 29 32.500 32.500 30.924 1.576 18547 2167 1 3 . 1 1 39 39 ARG H H 29 8.510 8.510 7.997 0.513 18547 2168 1 3 . 1 1 40 40 TYR N N 30 120.000 120.000 126.460 -6.460 18547 2169 1 3 . 1 1 40 40 TYR HA H 30 4.600 4.600 4.459 0.141 18547 2170 1 3 . 1 1 40 40 TYR C C 30 175.600 175.600 175.832 -0.232 18547 2171 1 3 . 1 1 40 40 TYR CA C 30 56.900 56.900 57.582 -0.682 18547 2172 1 3 . 1 1 40 40 TYR CB C 30 42.700 42.700 39.816 2.884 18547 2173 1 3 . 1 1 40 40 TYR H H 30 9.140 9.140 8.952 0.188 18547 2174 1 3 . 1 1 41 41 ASP N N 31 126.400 126.400 121.959 4.441 18547 2175 1 3 . 1 1 41 41 ASP HA H 31 4.880 4.880 4.793 0.087 18547 2176 1 3 . 1 1 41 41 ASP C C 31 174.500 174.500 174.569 -0.069 18547 2177 1 3 . 1 1 41 41 ASP CA C 31 53.200 53.200 53.617 -0.417 18547 2178 1 3 . 1 1 41 41 ASP CB C 31 39.200 39.200 41.183 -1.983 18547 2179 1 3 . 1 1 41 41 ASP H H 31 9.140 9.140 8.302 0.838 18547 2180 1 3 . 1 1 42 42 ALA N N 32 123.100 123.100 121.151 1.949 18547 2181 1 3 . 1 1 42 42 ALA HA H 32 4.690 4.690 4.714 -0.024 18547 2182 1 3 . 1 1 42 42 ALA CA C 32 50.100 50.100 49.132 0.968 18547 2183 1 3 . 1 1 42 42 ALA CB C 32 20.200 20.200 20.508 -0.308 18547 2184 1 3 . 1 1 42 42 ALA H H 32 7.770 7.770 7.477 0.293 18547 2185 1 3 . 1 1 43 43 PRO HA H 33 4.650 4.650 4.441 0.209 18547 2186 1 3 . 1 1 43 43 PRO C C 33 178.100 178.100 177.492 0.608 18547 2187 1 3 . 1 1 43 43 PRO CA C 33 62.000 62.000 62.793 -0.793 18547 2188 1 3 . 1 1 43 43 PRO CB C 33 33.000 33.000 32.405 0.595 18547 2189 1 3 . 1 1 44 44 VAL N N 34 123.500 123.500 121.107 2.393 18547 2190 1 3 . 1 1 44 44 VAL HA H 34 3.960 3.960 3.663 0.297 18547 2191 1 3 . 1 1 44 44 VAL C C 34 177.500 177.500 177.569 -0.069 18547 2192 1 3 . 1 1 44 44 VAL CA C 34 66.000 66.000 66.901 -0.901 18547 2193 1 3 . 1 1 44 44 VAL CB C 34 32.000 32.000 31.769 0.231 18547 2194 1 3 . 1 1 44 44 VAL H H 34 8.570 8.570 8.723 -0.153 18547 2195 1 3 . 1 1 45 45 ASP N N 35 116.200 116.200 119.388 -3.188 18547 2196 1 3 . 1 1 45 45 ASP HA H 35 4.290 4.290 4.224 0.066 18547 2197 1 3 . 1 1 45 45 ASP C C 35 178.800 178.800 178.566 0.234 18547 2198 1 3 . 1 1 45 45 ASP CA C 35 57.500 57.500 58.174 -0.674 18547 2199 1 3 . 1 1 45 45 ASP CB C 35 40.400 40.400 39.881 0.519 18547 2200 1 3 . 1 1 45 45 ASP H H 35 8.520 8.520 8.856 -0.336 18547 2201 1 3 . 1 1 46 46 GLU N N 36 120.100 120.100 120.177 -0.077 18547 2202 1 3 . 1 1 46 46 GLU HA H 36 4.260 4.260 4.138 0.122 18547 2203 1 3 . 1 1 46 46 GLU C C 36 179.000 179.000 179.267 -0.267 18547 2204 1 3 . 1 1 46 46 GLU CA C 36 58.400 58.400 59.168 -0.768 18547 2205 1 3 . 1 1 46 46 GLU CB C 36 29.700 29.700 29.474 0.226 18547 2206 1 3 . 1 1 46 46 GLU H H 36 7.360 7.360 8.146 -0.786 18547 2207 1 3 . 1 1 47 47 VAL N N 37 121.800 121.800 119.869 1.931 18547 2208 1 3 . 1 1 47 47 VAL HA H 37 3.370 3.370 3.494 -0.124 18547 2209 1 3 . 1 1 47 47 VAL C C 37 177.100 177.100 177.837 -0.737 18547 2210 1 3 . 1 1 47 47 VAL CA C 37 66.900 66.900 66.383 0.517 18547 2211 1 3 . 1 1 47 47 VAL CB C 37 31.000 31.000 31.359 -0.359 18547 2212 1 3 . 1 1 47 47 VAL H H 37 7.680 7.680 7.819 -0.139 18547 2213 1 3 . 1 1 48 48 TRP N N 38 119.800 119.800 121.054 -1.254 18547 2214 1 3 . 1 1 48 48 TRP HA H 38 3.990 3.990 4.305 -0.315 18547 2215 1 3 . 1 1 48 48 TRP C C 38 180.700 180.700 177.940 2.760 18547 2216 1 3 . 1 1 48 48 TRP CA C 38 60.900 60.900 60.644 0.256 18547 2217 1 3 . 1 1 48 48 TRP CB C 38 29.300 29.300 29.620 -0.320 18547 2218 1 3 . 1 1 48 48 TRP H H 38 9.160 9.160 8.783 0.377 18547 2219 1 3 . 1 1 49 49 SER N N 39 116.100 116.100 114.984 1.116 18547 2220 1 3 . 1 1 49 49 SER HA H 39 4.010 4.010 4.279 -0.269 18547 2221 1 3 . 1 1 49 49 SER C C 39 175.700 175.700 176.364 -0.664 18547 2222 1 3 . 1 1 49 49 SER CA C 39 62.700 62.700 61.497 1.203 18547 2223 1 3 . 1 1 49 49 SER CB C 39 62.700 62.700 62.856 -0.156 18547 2224 1 3 . 1 1 49 49 SER H H 39 8.230 8.230 7.941 0.289 18547 2225 1 3 . 1 1 50 50 ALA N N 40 122.300 122.300 124.836 -2.536 18547 2226 1 3 . 1 1 50 50 ALA HA H 40 4.020 4.020 4.403 -0.383 18547 2227 1 3 . 1 1 50 50 ALA C C 40 176.700 176.700 178.992 -2.292 18547 2228 1 3 . 1 1 50 50 ALA CA C 40 55.200 55.200 54.937 0.263 18547 2229 1 3 . 1 1 50 50 ALA CB C 40 18.800 18.800 18.614 0.186 18547 2230 1 3 . 1 1 50 50 ALA H H 40 7.770 7.770 7.548 0.222 18547 2231 1 3 . 1 1 51 51 CYS N N 41 109.400 109.400 114.449 -5.049 18547 2232 1 3 . 1 1 51 51 CYS HA H 41 4.510 4.510 4.565 -0.055 18547 2233 1 3 . 1 1 51 51 CYS C C 41 172.200 172.200 176.495 -4.295 18547 2234 1 3 . 1 1 51 51 CYS CA C 41 61.100 61.100 60.707 0.393 18547 2235 1 3 . 1 1 51 51 CYS CB C 41 29.800 29.800 27.033 2.767 18547 2236 1 3 . 1 1 51 51 CYS H H 41 7.080 7.080 8.143 -1.063 18547 2237 1 3 . 1 1 52 52 THR N N 42 100.100 100.100 111.795 -11.695 18547 2238 1 3 . 1 1 52 52 THR HA H 42 4.240 4.240 4.192 0.048 18547 2239 1 3 . 1 1 52 52 THR C C 42 173.500 173.500 174.809 -1.309 18547 2240 1 3 . 1 1 52 52 THR CA C 42 62.200 62.200 62.743 -0.543 18547 2241 1 3 . 1 1 52 52 THR CB C 42 71.800 71.800 69.801 1.999 18547 2242 1 3 . 1 1 52 52 THR H H 42 6.800 6.800 7.549 -0.749 18547 2243 1 3 . 1 1 53 53 ASP N N 43 123.000 123.000 123.431 -0.431 18547 2244 1 3 . 1 1 53 53 ASP HA H 43 5.080 5.080 4.937 0.143 18547 2245 1 3 . 1 1 53 53 ASP CA C 43 50.600 50.600 51.342 -0.742 18547 2246 1 3 . 1 1 53 53 ASP CB C 43 42.000 42.000 43.047 -1.046 18547 2247 1 3 . 1 1 53 53 ASP H H 43 8.040 8.040 7.483 0.557 18547 2248 1 3 . 1 1 54 54 PRO HA H 44 3.960 3.960 4.220 -0.260 18547 2249 1 3 . 1 1 54 54 PRO C C 44 176.300 176.300 177.738 -1.438 18547 2250 1 3 . 1 1 54 54 PRO CA C 44 65.900 65.900 64.721 1.179 18547 2251 1 3 . 1 1 54 54 PRO CB C 44 32.700 32.700 32.326 0.374 18547 2252 1 3 . 1 1 55 55 ASN N N 45 112.700 112.700 116.368 -3.668 18547 2253 1 3 . 1 1 55 55 ASN HA H 45 4.520 4.520 4.596 -0.076 18547 2254 1 3 . 1 1 55 55 ASN C C 45 175.900 175.900 177.087 -1.187 18547 2255 1 3 . 1 1 55 55 ASN CA C 45 55.100 55.100 55.665 -0.565 18547 2256 1 3 . 1 1 55 55 ASN CB C 45 38.900 38.900 37.980 0.920 18547 2257 1 3 . 1 1 55 55 ASN H H 45 8.160 8.160 8.033 0.127 18547 2258 1 3 . 1 1 56 56 ARG N N 46 117.700 117.700 118.505 -0.805 18547 2259 1 3 . 1 1 56 56 ARG HA H 46 4.250 4.250 4.315 -0.065 18547 2260 1 3 . 1 1 56 56 ARG C C 46 177.100 177.100 178.317 -1.217 18547 2261 1 3 . 1 1 56 56 ARG CA C 46 58.400 58.400 58.324 0.076 18547 2262 1 3 . 1 1 56 56 ARG CB C 46 31.800 31.800 30.743 1.057 18547 2263 1 3 . 1 1 56 56 ARG H H 46 7.940 7.940 7.840 0.100 18547 2264 1 3 . 1 1 57 57 ILE N N 47 120.100 120.100 120.035 0.065 18547 2265 1 3 . 1 1 57 57 ILE HA H 47 3.420 3.420 3.424 -0.004 18547 2266 1 3 . 1 1 57 57 ILE C C 47 177.400 177.400 176.239 1.161 18547 2267 1 3 . 1 1 57 57 ILE CA C 47 64.400 64.400 64.626 -0.226 18547 2268 1 3 . 1 1 57 57 ILE CB C 47 39.500 39.500 37.762 1.738 18547 2269 1 3 . 1 1 57 57 ILE H H 47 8.610 8.610 7.528 1.082 18547 2270 1 3 . 1 1 58 58 ASN N N 48 112.100 112.100 114.822 -2.722 18547 2271 1 3 . 1 1 58 58 ASN HA H 48 3.780 3.780 4.399 -0.619 18547 2272 1 3 . 1 1 58 58 ASN C C 48 175.300 175.300 175.987 -0.687 18547 2273 1 3 . 1 1 58 58 ASN CA C 48 54.400 54.400 53.895 0.505 18547 2274 1 3 . 1 1 58 58 ASN CB C 48 38.200 38.200 38.196 0.004 18547 2275 1 3 . 1 1 58 58 ASN H H 48 7.440 7.440 7.785 -0.345 18547 2276 1 3 . 1 1 59 59 ARG N N 49 115.600 115.600 119.884 -4.284 18547 2277 1 3 . 1 1 59 59 ARG HA H 49 4.120 4.120 4.163 -0.043 18547 2278 1 3 . 1 1 59 59 ARG C C 49 174.700 174.700 176.556 -1.856 18547 2279 1 3 . 1 1 59 59 ARG CA C 49 55.900 55.900 58.080 -2.180 18547 2280 1 3 . 1 1 59 59 ARG CB C 49 29.900 29.900 30.380 -0.480 18547 2281 1 3 . 1 1 59 59 ARG H H 49 7.370 7.370 7.286 0.084 18547 2282 1 3 . 1 1 60 60 TRP N N 50 112.500 112.500 112.947 -0.447 18547 2283 1 3 . 1 1 60 60 TRP HA H 50 4.860 4.860 4.876 -0.016 18547 2284 1 3 . 1 1 60 60 TRP C C 50 173.400 173.400 174.626 -1.226 18547 2285 1 3 . 1 1 60 60 TRP CA C 50 55.800 55.800 56.003 -0.203 18547 2286 1 3 . 1 1 60 60 TRP CB C 50 31.500 31.500 31.401 0.099 18547 2287 1 3 . 1 1 60 60 TRP H H 50 6.860 6.860 7.056 -0.196 18547 2288 1 3 . 1 1 61 61 PHE N N 51 126.400 126.400 118.853 7.547 18547 2289 1 3 . 1 1 61 61 PHE HA H 51 4.690 4.690 4.766 -0.076 18547 2290 1 3 . 1 1 61 61 PHE C C 51 173.000 173.000 174.224 -1.224 18547 2291 1 3 . 1 1 61 61 PHE CA C 51 55.000 55.000 56.120 -1.120 18547 2292 1 3 . 1 1 61 61 PHE CB C 51 37.600 37.600 41.397 -3.797 18547 2293 1 3 . 1 1 61 61 PHE H H 51 7.830 7.830 7.342 0.488 18547 2294 1 3 . 1 1 62 62 ILE N N 52 126.800 126.800 120.048 6.752 18547 2295 1 3 . 1 1 62 62 ILE HA H 52 3.760 3.760 3.941 -0.181 18547 2296 1 3 . 1 1 62 62 ILE C C 52 172.600 172.600 174.433 -1.833 18547 2297 1 3 . 1 1 62 62 ILE CA C 52 59.900 59.900 60.556 -0.656 18547 2298 1 3 . 1 1 62 62 ILE CB C 52 41.600 41.600 38.464 3.136 18547 2299 1 3 . 1 1 62 62 ILE H H 52 6.010 6.010 6.772 -0.762 18547 2300 1 3 . 1 1 63 63 GLU N N 53 124.400 124.400 121.347 3.053 18547 2301 1 3 . 1 1 63 63 GLU HA H 53 3.850 3.850 4.545 -0.695 18547 2302 1 3 . 1 1 63 63 GLU CA C 53 54.800 54.800 52.627 2.173 18547 2303 1 3 . 1 1 63 63 GLU CB C 53 31.700 31.700 31.215 0.485 18547 2304 1 3 . 1 1 63 63 GLU H H 53 8.280 8.280 8.263 0.017 18547 2305 1 3 . 1 1 64 64 PRO HA H 54 4.920 4.920 4.536 0.384 18547 2306 1 3 . 1 1 64 64 PRO C C 54 175.500 175.500 175.859 -0.359 18547 2307 1 3 . 1 1 64 64 PRO CA C 54 62.000 62.000 62.964 -0.964 18547 2308 1 3 . 1 1 64 64 PRO CB C 54 31.800 31.800 31.089 0.711 18547 2309 1 3 . 1 1 65 65 LYS N N 55 120.200 120.200 125.570 -5.370 18547 2310 1 3 . 1 1 65 65 LYS HA H 55 4.780 4.780 4.310 0.470 18547 2311 1 3 . 1 1 65 65 LYS C C 55 176.000 176.000 175.934 0.066 18547 2312 1 3 . 1 1 65 65 LYS CA C 55 54.200 54.200 55.867 -1.667 18547 2313 1 3 . 1 1 65 65 LYS CB C 55 35.300 35.300 33.203 2.097 18547 2314 1 3 . 1 1 65 65 LYS H H 55 8.370 8.370 8.047 0.323 18547 2315 1 3 . 1 1 66 66 GLY N N 56 109.400 109.400 111.371 -1.971 18547 2316 1 3 . 1 1 66 66 GLY C C 56 171.400 171.400 173.321 -1.921 18547 2317 1 3 . 1 1 66 66 GLY CA C 56 45.400 45.400 45.461 -0.061 18547 2318 1 3 . 1 1 66 66 GLY H H 56 8.640 8.640 7.754 0.886 18547 2319 1 3 . 1 1 67 67 ASP N N 57 123.800 123.800 121.399 2.401 18547 2320 1 3 . 1 1 67 67 ASP HA H 57 4.900 4.900 4.630 0.270 18547 2321 1 3 . 1 1 67 67 ASP C C 57 175.600 175.600 176.904 -1.304 18547 2322 1 3 . 1 1 67 67 ASP CA C 57 52.400 52.400 54.984 -2.584 18547 2323 1 3 . 1 1 67 67 ASP CB C 57 40.700 40.700 41.584 -0.884 18547 2324 1 3 . 1 1 67 67 ASP H H 57 7.790 7.790 8.392 -0.602 18547 2325 1 3 . 1 1 68 68 LEU N N 58 122.800 122.800 118.107 4.693 18547 2326 1 3 . 1 1 68 68 LEU HA H 58 4.270 4.270 4.091 0.179 18547 2327 1 3 . 1 1 68 68 LEU C C 58 173.700 173.700 176.300 -2.600 18547 2328 1 3 . 1 1 68 68 LEU CA C 58 54.500 54.500 55.697 -1.197 18547 2329 1 3 . 1 1 68 68 LEU CB C 58 38.300 38.300 41.486 -3.187 18547 2330 1 3 . 1 1 68 68 LEU H H 58 8.330 8.330 8.118 0.212 18547 2331 1 3 . 1 1 69 69 ARG N N 59 121.800 121.800 113.470 8.330 18547 2332 1 3 . 1 1 69 69 ARG HA H 59 4.710 4.710 3.949 0.761 18547 2333 1 3 . 1 1 69 69 ARG CA C 59 54.100 54.100 56.390 -2.290 18547 2334 1 3 . 1 1 69 69 ARG CB C 59 31.800 31.800 29.907 1.893 18547 2335 1 3 . 1 1 69 69 ARG H H 59 8.120 8.120 8.626 -0.506 18547 2336 1 3 . 1 1 70 70 GLU N N 60 122.800 122.800 122.806 -0.006 18547 2337 1 3 . 1 1 70 70 GLU HA H 60 3.870 3.870 3.993 -0.123 18547 2338 1 3 . 1 1 70 70 GLU C C 60 177.200 177.200 177.620 -0.420 18547 2339 1 3 . 1 1 70 70 GLU CA C 60 60.000 60.000 58.048 1.952 18547 2340 1 3 . 1 1 70 70 GLU CB C 60 30.200 30.200 29.837 0.363 18547 2341 1 3 . 1 1 70 70 GLU H H 60 9.130 9.130 8.591 0.539 18547 2342 1 3 . 1 1 71 71 GLY N N 61 117.100 117.100 114.624 2.476 18547 2343 1 3 . 1 1 71 71 GLY C C 61 174.900 174.900 174.166 0.734 18547 2344 1 3 . 1 1 71 71 GLY CA C 61 45.600 45.600 44.759 0.841 18547 2345 1 3 . 1 1 71 71 GLY H H 61 8.710 8.710 8.407 0.303 18547 2346 1 3 . 1 1 72 72 GLY N N 62 110.300 110.300 109.622 0.678 18547 2347 1 3 . 1 1 72 72 GLY C C 62 174.200 174.200 172.556 1.644 18547 2348 1 3 . 1 1 72 72 GLY CA C 62 43.400 43.400 43.485 -0.085 18547 2349 1 3 . 1 1 72 72 GLY H H 62 8.760 8.760 8.595 0.165 18547 2350 1 3 . 1 1 73 73 ASN N N 63 117.800 117.800 117.012 0.788 18547 2351 1 3 . 1 1 73 73 ASN HA H 63 5.490 5.490 4.919 0.571 18547 2352 1 3 . 1 1 73 73 ASN C C 63 171.400 171.400 173.102 -1.702 18547 2353 1 3 . 1 1 73 73 ASN CA C 63 52.900 52.900 52.478 0.422 18547 2354 1 3 . 1 1 73 73 ASN CB C 63 41.500 41.500 41.245 0.255 18547 2355 1 3 . 1 1 73 73 ASN H H 63 8.890 8.890 8.131 0.759 18547 2356 1 3 . 1 1 74 74 PHE N N 64 113.500 113.500 114.611 -1.111 18547 2357 1 3 . 1 1 74 74 PHE HA H 64 5.500 5.500 5.004 0.496 18547 2358 1 3 . 1 1 74 74 PHE C C 64 173.200 173.200 172.690 0.510 18547 2359 1 3 . 1 1 74 74 PHE CA C 64 55.900 55.900 55.997 -0.097 18547 2360 1 3 . 1 1 74 74 PHE CB C 64 44.600 44.600 42.443 2.157 18547 2361 1 3 . 1 1 74 74 PHE H H 64 8.700 8.700 8.552 0.148 18547 2362 1 3 . 1 1 75 75 ALA N N 65 122.200 122.200 124.444 -2.244 18547 2363 1 3 . 1 1 75 75 ALA HA H 65 4.350 4.350 4.817 -0.467 18547 2364 1 3 . 1 1 75 75 ALA C C 65 176.000 176.000 175.630 0.370 18547 2365 1 3 . 1 1 75 75 ALA CA C 65 52.500 52.500 51.122 1.378 18547 2366 1 3 . 1 1 75 75 ALA CB C 65 21.800 21.800 21.277 0.523 18547 2367 1 3 . 1 1 75 75 ALA H H 65 8.690 8.690 8.399 0.291 18547 2368 1 3 . 1 1 76 76 LEU N N 66 123.800 123.800 124.560 -0.760 18547 2369 1 3 . 1 1 76 76 LEU HA H 66 4.520 4.520 4.607 -0.087 18547 2370 1 3 . 1 1 76 76 LEU C C 66 175.800 175.800 177.183 -1.383 18547 2371 1 3 . 1 1 76 76 LEU CA C 66 52.500 52.500 53.970 -1.470 18547 2372 1 3 . 1 1 76 76 LEU CB C 66 42.400 42.400 42.996 -0.596 18547 2373 1 3 . 1 1 76 76 LEU H H 66 8.350 8.350 8.263 0.087 18547 2374 1 3 . 1 1 77 77 GLN N N 67 127.400 127.400 122.224 5.176 18547 2375 1 3 . 1 1 77 77 GLN HA H 67 3.900 3.900 4.092 -0.192 18547 2376 1 3 . 1 1 77 77 GLN C C 67 176.600 176.600 177.010 -0.410 18547 2377 1 3 . 1 1 77 77 GLN CA C 67 57.800 57.800 56.421 1.379 18547 2378 1 3 . 1 1 77 77 GLN CB C 67 28.000 28.000 28.446 -0.446 18547 2379 1 3 . 1 1 77 77 GLN H H 67 8.590 8.590 8.692 -0.102 18547 2380 1 3 . 1 1 78 78 GLY N N 68 114.800 114.800 114.408 0.392 18547 2381 1 3 . 1 1 78 78 GLY C C 68 173.700 173.700 173.508 0.192 18547 2382 1 3 . 1 1 78 78 GLY CA C 68 45.700 45.700 45.459 0.241 18547 2383 1 3 . 1 1 78 78 GLY H H 68 8.920 8.920 8.757 0.163 18547 2384 1 3 . 1 1 79 79 ASN N N 69 124.000 124.000 116.580 7.420 18547 2385 1 3 . 1 1 79 79 ASN HA H 69 4.600 4.600 4.329 0.271 18547 2386 1 3 . 1 1 79 79 ASN C C 69 173.300 173.300 172.243 1.057 18547 2387 1 3 . 1 1 79 79 ASN CA C 69 52.900 52.900 53.427 -0.527 18547 2388 1 3 . 1 1 79 79 ASN CB C 69 41.600 41.600 39.544 2.056 18547 2389 1 3 . 1 1 79 79 ASN H H 69 8.360 8.360 7.870 0.490 18547 2390 1 3 . 1 1 80 80 ALA N N 70 127.200 127.200 120.156 7.044 18547 2391 1 3 . 1 1 80 80 ALA HA H 70 4.170 4.170 4.326 -0.156 18547 2392 1 3 . 1 1 80 80 ALA C C 70 174.500 174.500 174.631 -0.131 18547 2393 1 3 . 1 1 80 80 ALA CA C 70 52.500 52.500 50.814 1.686 18547 2394 1 3 . 1 1 80 80 ALA CB C 70 18.600 18.600 21.246 -2.646 18547 2395 1 3 . 1 1 80 80 ALA H H 70 8.930 8.930 7.470 1.460 18547 2396 1 3 . 1 1 81 81 SER N N 71 111.000 111.000 114.717 -3.717 18547 2397 1 3 . 1 1 81 81 SER HA H 71 4.170 4.170 5.058 -0.888 18547 2398 1 3 . 1 1 81 81 SER C C 71 170.900 170.900 173.519 -2.619 18547 2399 1 3 . 1 1 81 81 SER CA C 71 56.300 56.300 56.386 -0.087 18547 2400 1 3 . 1 1 81 81 SER CB C 71 66.600 66.600 66.431 0.169 18547 2401 1 3 . 1 1 81 81 SER H H 71 7.980 7.980 8.246 -0.266 18547 2402 1 3 . 1 1 82 82 GLY N N 72 102.700 102.700 109.190 -6.490 18547 2403 1 3 . 1 1 82 82 GLY C C 72 171.700 171.700 171.569 0.131 18547 2404 1 3 . 1 1 82 82 GLY CA C 72 46.200 46.200 45.465 0.735 18547 2405 1 3 . 1 1 82 82 GLY H H 72 6.940 6.940 7.905 -0.965 18547 2406 1 3 . 1 1 83 83 ASP N N 73 117.900 117.900 117.229 0.671 18547 2407 1 3 . 1 1 83 83 ASP HA H 73 5.430 5.430 5.476 -0.046 18547 2408 1 3 . 1 1 83 83 ASP C C 73 176.100 176.100 175.540 0.560 18547 2409 1 3 . 1 1 83 83 ASP CA C 73 52.700 52.700 51.875 0.825 18547 2410 1 3 . 1 1 83 83 ASP CB C 73 43.600 43.600 44.549 -0.949 18547 2411 1 3 . 1 1 83 83 ASP H H 73 8.770 8.770 8.743 0.027 18547 2412 1 3 . 1 1 84 84 ILE N N 74 120.200 120.200 119.486 0.714 18547 2413 1 3 . 1 1 84 84 ILE HA H 74 4.530 4.530 4.385 0.145 18547 2414 1 3 . 1 1 84 84 ILE C C 74 175.600 175.600 177.094 -1.494 18547 2415 1 3 . 1 1 84 84 ILE CA C 74 61.700 61.700 59.153 2.547 18547 2416 1 3 . 1 1 84 84 ILE CB C 74 36.700 36.700 35.763 0.937 18547 2417 1 3 . 1 1 84 84 ILE H H 74 8.060 8.060 8.243 -0.183 18547 2418 1 3 . 1 1 85 85 LEU N N 75 130.400 130.400 128.292 2.108 18547 2419 1 3 . 1 1 85 85 LEU HA H 75 4.330 4.330 4.242 0.088 18547 2420 1 3 . 1 1 85 85 LEU C C 75 178.100 178.100 177.390 0.710 18547 2421 1 3 . 1 1 85 85 LEU CA C 75 57.000 57.000 57.244 -0.244 18547 2422 1 3 . 1 1 85 85 LEU CB C 75 42.000 42.000 42.595 -0.595 18547 2423 1 3 . 1 1 85 85 LEU H H 75 8.710 8.710 8.229 0.481 18547 2424 1 3 . 1 1 86 86 ARG N N 76 115.700 115.700 116.532 -0.832 18547 2425 1 3 . 1 1 86 86 ARG HA H 76 4.840 4.840 4.500 0.340 18547 2426 1 3 . 1 1 86 86 ARG C C 76 174.900 174.900 173.631 1.269 18547 2427 1 3 . 1 1 86 86 ARG CA C 76 54.700 54.700 55.782 -1.082 18547 2428 1 3 . 1 1 86 86 ARG CB C 76 33.900 33.900 33.475 0.425 18547 2429 1 3 . 1 1 86 86 ARG H H 76 8.130 8.130 7.927 0.203 18547 2430 1 3 . 1 1 87 87 CYS N N 77 127.100 127.100 122.536 4.564 18547 2431 1 3 . 1 1 87 87 CYS HA H 77 5.130 5.130 5.383 -0.253 18547 2432 1 3 . 1 1 87 87 CYS C C 77 171.700 171.700 174.472 -2.772 18547 2433 1 3 . 1 1 87 87 CYS CA C 77 54.600 54.600 55.519 -0.919 18547 2434 1 3 . 1 1 87 87 CYS CB C 77 33.000 33.000 29.281 3.719 18547 2435 1 3 . 1 1 87 87 CYS H H 77 10.630 10.630 8.725 1.905 18547 2436 1 3 . 1 1 88 88 GLU N N 78 128.200 128.200 125.352 2.848 18547 2437 1 3 . 1 1 88 88 GLU HA H 78 4.950 4.950 4.794 0.156 18547 2438 1 3 . 1 1 88 88 GLU CA C 78 52.100 52.100 53.230 -1.130 18547 2439 1 3 . 1 1 88 88 GLU CB C 78 30.500 30.500 29.314 1.186 18547 2440 1 3 . 1 1 88 88 GLU H H 78 9.460 9.460 8.564 0.896 18547 2441 1 3 . 1 1 89 89 PRO HA H 79 2.780 2.780 3.747 -0.967 18547 2442 1 3 . 1 1 89 89 PRO CA C 79 60.500 60.500 61.142 -0.642 18547 2443 1 3 . 1 1 89 89 PRO CB C 79 31.600 31.600 31.357 0.243 18547 2444 1 3 . 1 1 90 90 PRO HA H 80 2.250 2.250 2.959 -0.709 18547 2445 1 3 . 1 1 90 90 PRO C C 80 171.400 171.400 175.970 -4.570 18547 2446 1 3 . 1 1 90 90 PRO CA C 80 63.700 63.700 61.512 2.188 18547 2447 1 3 . 1 1 90 90 PRO CB C 80 30.500 30.500 32.002 -1.502 18547 2448 1 3 . 1 1 91 91 ARG N N 81 113.700 113.700 117.781 -4.081 18547 2449 1 3 . 1 1 91 91 ARG HA H 81 4.700 4.700 4.112 0.588 18547 2450 1 3 . 1 1 91 91 ARG C C 81 176.500 176.500 176.089 0.411 18547 2451 1 3 . 1 1 91 91 ARG CA C 81 57.400 57.400 57.436 -0.036 18547 2452 1 3 . 1 1 91 91 ARG CB C 81 34.200 34.200 31.021 3.179 18547 2453 1 3 . 1 1 91 91 ARG H H 81 7.640 7.640 7.684 -0.044 18547 2454 1 3 . 1 1 92 92 ARG N N 82 121.000 121.000 114.176 6.824 18547 2455 1 3 . 1 1 92 92 ARG HA H 82 5.700 5.700 5.441 0.259 18547 2456 1 3 . 1 1 92 92 ARG C C 82 172.700 172.700 173.852 -1.152 18547 2457 1 3 . 1 1 92 92 ARG CA C 82 55.900 55.900 54.982 0.918 18547 2458 1 3 . 1 1 92 92 ARG CB C 82 34.100 34.100 33.952 0.148 18547 2459 1 3 . 1 1 92 92 ARG H H 82 7.710 7.710 7.662 0.048 18547 2460 1 3 . 1 1 93 93 LEU N N 83 130.800 130.800 123.329 7.471 18547 2461 1 3 . 1 1 93 93 LEU HA H 83 5.250 5.250 5.029 0.221 18547 2462 1 3 . 1 1 93 93 LEU C C 83 174.000 174.000 175.310 -1.310 18547 2463 1 3 . 1 1 93 93 LEU CA C 83 53.700 53.700 54.042 -0.342 18547 2464 1 3 . 1 1 93 93 LEU CB C 83 47.100 47.100 45.143 1.957 18547 2465 1 3 . 1 1 93 93 LEU H H 83 9.080 9.080 9.081 -0.001 18547 2466 1 3 . 1 1 94 94 THR N N 84 124.200 124.200 122.784 1.416 18547 2467 1 3 . 1 1 94 94 THR HA H 84 5.340 5.340 5.131 0.209 18547 2468 1 3 . 1 1 94 94 THR C C 84 174.100 174.100 173.525 0.575 18547 2469 1 3 . 1 1 94 94 THR CA C 84 62.700 62.700 62.133 0.568 18547 2470 1 3 . 1 1 94 94 THR CB C 84 69.600 69.600 70.276 -0.676 18547 2471 1 3 . 1 1 94 94 THR H H 84 9.310 9.310 8.706 0.604 18547 2472 1 3 . 1 1 95 95 ILE N N 85 121.600 121.600 121.872 -0.272 18547 2473 1 3 . 1 1 95 95 ILE HA H 85 5.630 5.630 5.109 0.521 18547 2474 1 3 . 1 1 95 95 ILE C C 85 175.000 175.000 173.807 1.193 18547 2475 1 3 . 1 1 95 95 ILE CA C 85 59.300 59.300 59.173 0.127 18547 2476 1 3 . 1 1 95 95 ILE CB C 85 40.900 40.900 42.644 -1.744 18547 2477 1 3 . 1 1 95 95 ILE H H 85 9.700 9.700 8.559 1.141 18547 2478 1 3 . 1 1 96 96 SER N N 86 117.900 117.900 117.168 0.732 18547 2479 1 3 . 1 1 96 96 SER HA H 86 5.270 5.270 4.972 0.298 18547 2480 1 3 . 1 1 96 96 SER C C 86 172.200 172.200 174.247 -2.047 18547 2481 1 3 . 1 1 96 96 SER CA C 86 57.600 57.600 57.740 -0.140 18547 2482 1 3 . 1 1 96 96 SER CB C 86 65.700 65.700 64.859 0.841 18547 2483 1 3 . 1 1 96 96 SER H H 86 9.290 9.290 8.616 0.674 18547 2484 1 3 . 1 1 97 97 TRP N N 87 120.000 120.000 125.692 -5.692 18547 2485 1 3 . 1 1 97 97 TRP HA H 87 5.130 5.130 5.179 -0.049 18547 2486 1 3 . 1 1 97 97 TRP C C 87 175.500 175.500 173.514 1.986 18547 2487 1 3 . 1 1 97 97 TRP CA C 87 57.900 57.900 56.804 1.096 18547 2488 1 3 . 1 1 97 97 TRP CB C 87 31.500 31.500 32.059 -0.559 18547 2489 1 3 . 1 1 97 97 TRP H H 87 7.790 7.790 8.931 -1.141 18547 2490 1 3 . 1 1 98 98 VAL N N 88 132.200 132.200 129.951 2.249 18547 2491 1 3 . 1 1 98 98 VAL HA H 88 4.460 4.460 4.428 0.032 18547 2492 1 3 . 1 1 98 98 VAL C C 88 175.100 175.100 174.620 0.480 18547 2493 1 3 . 1 1 98 98 VAL CA C 88 62.000 62.000 60.189 1.811 18547 2494 1 3 . 1 1 98 98 VAL CB C 88 32.500 32.500 31.417 1.083 18547 2495 1 3 . 1 1 98 98 VAL H H 88 9.620 9.620 8.264 1.356 18547 2496 1 3 . 1 1 99 99 TYR N N 89 130.300 130.300 129.277 1.023 18547 2497 1 3 . 1 1 99 99 TYR HA H 89 4.440 4.440 4.283 0.157 18547 2498 1 3 . 1 1 99 99 TYR C C 89 173.900 173.900 175.361 -1.461 18547 2499 1 3 . 1 1 99 99 TYR CA C 89 56.800 56.800 57.852 -1.052 18547 2500 1 3 . 1 1 99 99 TYR CB C 89 42.100 42.100 40.057 2.043 18547 2501 1 3 . 1 1 99 99 TYR H H 89 9.670 9.670 8.814 0.856 18547 2502 1 3 . 1 1 100 100 GLU N N 90 127.100 127.100 125.721 1.379 18547 2503 1 3 . 1 1 100 100 GLU HA H 90 3.940 3.940 4.018 -0.078 18547 2504 1 3 . 1 1 100 100 GLU C C 90 176.700 176.700 176.988 -0.288 18547 2505 1 3 . 1 1 100 100 GLU CA C 90 58.300 58.300 58.034 0.266 18547 2506 1 3 . 1 1 100 100 GLU CB C 90 29.200 29.200 29.222 -0.022 18547 2507 1 3 . 1 1 100 100 GLU H H 90 8.080 8.080 7.787 0.293 18547 2508 1 3 . 1 1 101 101 GLY N N 91 113.100 113.100 113.974 -0.874 18547 2509 1 3 . 1 1 101 101 GLY C C 91 173.900 173.900 173.910 -0.010 18547 2510 1 3 . 1 1 101 101 GLY CA C 91 45.200 45.200 45.269 -0.069 18547 2511 1 3 . 1 1 101 101 GLY H H 91 8.850 8.850 8.770 0.080 18547 2512 1 3 . 1 1 102 102 LYS N N 92 120.100 120.100 121.180 -1.080 18547 2513 1 3 . 1 1 102 102 LYS HA H 92 4.990 4.990 4.901 0.089 18547 2514 1 3 . 1 1 102 102 LYS CA C 92 52.500 52.500 53.001 -0.501 18547 2515 1 3 . 1 1 102 102 LYS CB C 92 33.200 33.200 33.919 -0.719 18547 2516 1 3 . 1 1 102 102 LYS H H 92 8.270 8.270 7.844 0.426 18547 2517 1 3 . 1 1 103 103 PRO HA H 93 4.620 4.620 4.453 0.167 18547 2518 1 3 . 1 1 103 103 PRO C C 93 176.700 176.700 176.256 0.444 18547 2519 1 3 . 1 1 103 103 PRO CA C 93 62.400 62.400 62.475 -0.075 18547 2520 1 3 . 1 1 103 103 PRO CB C 93 31.400 31.400 32.370 -0.970 18547 2521 1 3 . 1 1 104 104 ASP N N 94 124.500 124.500 120.114 4.386 18547 2522 1 3 . 1 1 104 104 ASP HA H 94 4.860 4.860 4.567 0.293 18547 2523 1 3 . 1 1 104 104 ASP C C 94 177.100 177.100 176.358 0.742 18547 2524 1 3 . 1 1 104 104 ASP CA C 94 55.900 55.900 55.028 0.872 18547 2525 1 3 . 1 1 104 104 ASP CB C 94 40.500 40.500 40.865 -0.365 18547 2526 1 3 . 1 1 104 104 ASP H H 94 8.850 8.850 8.597 0.253 18547 2527 1 3 . 1 1 105 105 SER N N 95 118.600 118.600 122.295 -3.695 18547 2528 1 3 . 1 1 105 105 SER HA H 95 5.280 5.280 4.972 0.308 18547 2529 1 3 . 1 1 105 105 SER C C 95 173.700 173.700 173.521 0.179 18547 2530 1 3 . 1 1 105 105 SER CA C 95 57.900 57.900 57.427 0.473 18547 2531 1 3 . 1 1 105 105 SER CB C 95 65.600 65.600 66.297 -0.697 18547 2532 1 3 . 1 1 105 105 SER H H 95 9.260 9.260 8.566 0.694 18547 2533 1 3 . 1 1 106 106 GLU N N 96 124.100 124.100 121.276 2.824 18547 2534 1 3 . 1 1 106 106 GLU HA H 96 5.180 5.180 5.105 0.075 18547 2535 1 3 . 1 1 106 106 GLU C C 96 172.400 172.400 174.240 -1.840 18547 2536 1 3 . 1 1 106 106 GLU CA C 96 57.200 57.200 55.419 1.782 18547 2537 1 3 . 1 1 106 106 GLU CB C 96 36.100 36.100 33.435 2.665 18547 2538 1 3 . 1 1 106 106 GLU H H 96 8.620 8.620 8.296 0.324 18547 2539 1 3 . 1 1 107 107 VAL N N 97 128.100 128.100 126.788 1.312 18547 2540 1 3 . 1 1 107 107 VAL HA H 97 4.770 4.770 4.496 0.274 18547 2541 1 3 . 1 1 107 107 VAL C C 97 173.100 173.100 174.872 -1.772 18547 2542 1 3 . 1 1 107 107 VAL CA C 97 60.100 60.100 60.439 -0.339 18547 2543 1 3 . 1 1 107 107 VAL CB C 97 34.200 34.200 32.713 1.487 18547 2544 1 3 . 1 1 107 107 VAL H H 97 9.180 9.180 8.811 0.369 18547 2545 1 3 . 1 1 108 108 GLU N N 98 126.200 126.200 127.008 -0.808 18547 2546 1 3 . 1 1 108 108 GLU HA H 98 5.580 5.580 5.014 0.566 18547 2547 1 3 . 1 1 108 108 GLU C C 98 172.100 172.100 175.228 -3.128 18547 2548 1 3 . 1 1 108 108 GLU CA C 98 54.200 54.200 54.572 -0.372 18547 2549 1 3 . 1 1 108 108 GLU CB C 98 35.200 35.200 31.595 3.605 18547 2550 1 3 . 1 1 108 108 GLU H H 98 9.300 9.300 8.761 0.539 18547 2551 1 3 . 1 1 109 109 LEU N N 99 128.600 128.600 126.278 2.322 18547 2552 1 3 . 1 1 109 109 LEU HA H 99 5.080 5.080 4.591 0.489 18547 2553 1 3 . 1 1 109 109 LEU C C 99 175.100 175.100 174.257 0.843 18547 2554 1 3 . 1 1 109 109 LEU CA C 99 52.700 52.700 54.202 -1.502 18547 2555 1 3 . 1 1 109 109 LEU CB C 99 46.400 46.400 45.230 1.170 18547 2556 1 3 . 1 1 109 109 LEU H H 99 9.330 9.330 8.649 0.681 18547 2557 1 3 . 1 1 110 110 ARG N N 100 124.700 124.700 127.791 -3.091 18547 2558 1 3 . 1 1 110 110 ARG HA H 100 5.390 5.390 4.844 0.546 18547 2559 1 3 . 1 1 110 110 ARG C C 100 175.400 175.400 174.012 1.388 18547 2560 1 3 . 1 1 110 110 ARG CA C 100 54.600 54.600 54.944 -0.344 18547 2561 1 3 . 1 1 110 110 ARG CB C 100 34.100 34.100 33.472 0.628 18547 2562 1 3 . 1 1 110 110 ARG H H 100 9.430 9.430 8.334 1.096 18547 2563 1 3 . 1 1 111 111 LEU N N 101 122.900 122.900 127.328 -4.428 18547 2564 1 3 . 1 1 111 111 LEU HA H 101 5.620 5.620 5.426 0.194 18547 2565 1 3 . 1 1 111 111 LEU C C 101 177.100 177.100 175.221 1.879 18547 2566 1 3 . 1 1 111 111 LEU CA C 101 53.000 53.000 53.590 -0.590 18547 2567 1 3 . 1 1 111 111 LEU CB C 101 44.900 44.900 45.235 -0.335 18547 2568 1 3 . 1 1 111 111 LEU H H 101 9.120 9.120 8.430 0.690 18547 2569 1 3 . 1 1 112 112 SER N N 102 113.800 113.800 115.674 -1.874 18547 2570 1 3 . 1 1 112 112 SER HA H 102 4.690 4.690 4.705 -0.015 18547 2571 1 3 . 1 1 112 112 SER C C 102 172.700 172.700 172.739 -0.039 18547 2572 1 3 . 1 1 112 112 SER CA C 102 57.000 57.000 57.546 -0.546 18547 2573 1 3 . 1 1 112 112 SER CB C 102 65.700 65.700 65.289 0.411 18547 2574 1 3 . 1 1 112 112 SER H H 102 8.770 8.770 8.778 -0.008 18547 2575 1 3 . 1 1 113 113 GLU N N 103 123.400 123.400 128.111 -4.711 18547 2576 1 3 . 1 1 113 113 GLU HA H 103 4.440 4.440 4.615 -0.175 18547 2577 1 3 . 1 1 113 113 GLU C C 103 176.600 176.600 176.090 0.510 18547 2578 1 3 . 1 1 113 113 GLU CA C 103 57.500 57.500 56.259 1.241 18547 2579 1 3 . 1 1 113 113 GLU CB C 103 30.200 30.200 30.414 -0.214 18547 2580 1 3 . 1 1 113 113 GLU H H 103 9.200 9.200 8.605 0.595 18547 2581 1 3 . 1 1 114 114 GLU N N 104 126.500 126.500 127.407 -0.907 18547 2582 1 3 . 1 1 114 114 GLU HA H 104 4.450 4.450 4.588 -0.138 18547 2583 1 3 . 1 1 114 114 GLU C C 104 175.600 175.600 175.707 -0.107 18547 2584 1 3 . 1 1 114 114 GLU CA C 104 55.700 55.700 55.110 0.590 18547 2585 1 3 . 1 1 114 114 GLU CB C 104 31.300 31.300 31.889 -0.589 18547 2586 1 3 . 1 1 114 114 GLU H H 104 8.110 8.110 8.419 -0.309 18547 2587 1 3 . 1 1 115 115 GLY N N 105 118.000 118.000 113.496 4.504 18547 2588 1 3 . 1 1 115 115 GLY C C 105 174.700 174.700 174.076 0.624 18547 2589 1 3 . 1 1 115 115 GLY CA C 105 47.100 47.100 45.219 1.881 18547 2590 1 3 . 1 1 115 115 GLY H H 105 9.030 9.030 8.693 0.337 18547 2591 1 3 . 1 1 116 116 ASP N N 106 126.200 126.200 127.143 -0.943 18547 2592 1 3 . 1 1 116 116 ASP HA H 106 4.750 4.750 4.798 -0.048 18547 2593 1 3 . 1 1 116 116 ASP C C 106 175.600 175.600 174.996 0.604 18547 2594 1 3 . 1 1 116 116 ASP CA C 106 54.300 54.300 53.702 0.598 18547 2595 1 3 . 1 1 116 116 ASP CB C 106 40.800 40.800 39.900 0.900 18547 2596 1 3 . 1 1 116 116 ASP H H 106 8.800 8.800 8.424 0.376 18547 2597 1 3 . 1 1 117 117 GLY N N 107 109.500 109.500 108.165 1.335 18547 2598 1 3 . 1 1 117 117 GLY C C 107 174.400 174.400 172.000 2.400 18547 2599 1 3 . 1 1 117 117 GLY CA C 107 44.800 44.800 45.574 -0.774 18547 2600 1 3 . 1 1 117 117 GLY H H 107 8.040 8.040 8.007 0.033 18547 2601 1 3 . 1 1 118 118 THR N N 108 120.400 120.400 115.536 4.864 18547 2602 1 3 . 1 1 118 118 THR HA H 108 4.970 4.970 4.847 0.123 18547 2603 1 3 . 1 1 118 118 THR C C 108 173.000 173.000 172.520 0.480 18547 2604 1 3 . 1 1 118 118 THR CA C 108 63.500 63.500 61.895 1.605 18547 2605 1 3 . 1 1 118 118 THR CB C 108 73.000 73.000 72.484 0.517 18547 2606 1 3 . 1 1 118 118 THR H H 108 9.010 9.010 8.416 0.594 18547 2607 1 3 . 1 1 119 119 LEU N N 109 129.000 129.000 128.365 0.635 18547 2608 1 3 . 1 1 119 119 LEU HA H 109 4.790 4.790 5.216 -0.426 18547 2609 1 3 . 1 1 119 119 LEU C C 109 173.500 173.500 174.560 -1.060 18547 2610 1 3 . 1 1 119 119 LEU CA C 109 54.300 54.300 53.425 0.875 18547 2611 1 3 . 1 1 119 119 LEU CB C 109 42.900 42.900 43.912 -1.012 18547 2612 1 3 . 1 1 119 119 LEU H H 109 9.410 9.410 8.920 0.490 18547 2613 1 3 . 1 1 120 120 LEU N N 110 132.200 132.200 129.747 2.453 18547 2614 1 3 . 1 1 120 120 LEU HA H 110 4.820 4.820 5.216 -0.397 18547 2615 1 3 . 1 1 120 120 LEU C C 110 174.100 174.100 175.243 -1.143 18547 2616 1 3 . 1 1 120 120 LEU CA C 110 54.900 54.900 53.826 1.074 18547 2617 1 3 . 1 1 120 120 LEU CB C 110 45.300 45.300 44.550 0.750 18547 2618 1 3 . 1 1 120 120 LEU H H 110 9.430 9.430 8.890 0.540 18547 2619 1 3 . 1 1 121 121 GLU N N 111 125.800 125.800 125.484 0.316 18547 2620 1 3 . 1 1 121 121 GLU HA H 111 5.530 5.530 4.969 0.561 18547 2621 1 3 . 1 1 121 121 GLU C C 111 173.500 173.500 174.904 -1.404 18547 2622 1 3 . 1 1 121 121 GLU CA C 111 54.500 54.500 54.730 -0.230 18547 2623 1 3 . 1 1 121 121 GLU CB C 111 33.100 33.100 32.003 1.097 18547 2624 1 3 . 1 1 121 121 GLU H H 111 8.970 8.970 8.886 0.084 18547 2625 1 3 . 1 1 122 122 LEU N N 112 127.300 127.300 127.885 -0.585 18547 2626 1 3 . 1 1 122 122 LEU HA H 112 5.030 5.030 4.783 0.247 18547 2627 1 3 . 1 1 122 122 LEU C C 112 173.700 173.700 174.586 -0.886 18547 2628 1 3 . 1 1 122 122 LEU CA C 112 53.200 53.200 53.674 -0.474 18547 2629 1 3 . 1 1 122 122 LEU CB C 112 45.400 45.400 44.248 1.152 18547 2630 1 3 . 1 1 122 122 LEU H H 112 8.950 8.950 8.454 0.496 18547 2631 1 3 . 1 1 123 123 GLU N N 113 127.900 127.900 128.896 -0.996 18547 2632 1 3 . 1 1 123 123 GLU HA H 113 5.750 5.750 5.125 0.625 18547 2633 1 3 . 1 1 123 123 GLU C C 113 174.200 174.200 174.626 -0.426 18547 2634 1 3 . 1 1 123 123 GLU CA C 113 52.900 52.900 54.338 -1.438 18547 2635 1 3 . 1 1 123 123 GLU CB C 113 33.300 33.300 31.780 1.520 18547 2636 1 3 . 1 1 123 123 GLU H H 113 9.350 9.350 8.528 0.822 18547 2637 1 3 . 1 1 124 124 HIS N N 114 128.200 128.200 128.538 -0.338 18547 2638 1 3 . 1 1 124 124 HIS HA H 114 5.240 5.240 5.210 0.030 18547 2639 1 3 . 1 1 124 124 HIS C C 114 173.900 173.900 173.405 0.495 18547 2640 1 3 . 1 1 124 124 HIS CA C 114 54.300 54.300 54.582 -0.282 18547 2641 1 3 . 1 1 124 124 HIS CB C 114 34.600 34.600 31.845 2.755 18547 2642 1 3 . 1 1 124 124 HIS H H 114 8.770 8.770 8.418 0.352 18547 2643 1 3 . 1 1 125 125 ALA N N 115 128.600 128.600 131.729 -3.129 18547 2644 1 3 . 1 1 125 125 ALA HA H 115 5.150 5.150 5.627 -0.477 18547 2645 1 3 . 1 1 125 125 ALA C C 115 175.400 175.400 175.943 -0.543 18547 2646 1 3 . 1 1 125 125 ALA CA C 115 50.100 50.100 50.227 -0.128 18547 2647 1 3 . 1 1 125 125 ALA CB C 115 22.500 22.500 20.446 2.054 18547 2648 1 3 . 1 1 125 125 ALA H H 115 9.360 9.360 8.838 0.522 18547 2649 1 3 . 1 1 126 126 THR N N 116 115.800 115.800 118.453 -2.653 18547 2650 1 3 . 1 1 126 126 THR HA H 116 4.960 4.960 4.821 0.139 18547 2651 1 3 . 1 1 126 126 THR C C 116 172.200 172.200 174.899 -2.699 18547 2652 1 3 . 1 1 126 126 THR CA C 116 58.800 58.800 60.075 -1.275 18547 2653 1 3 . 1 1 126 126 THR CB C 116 69.200 69.200 72.050 -2.850 18547 2654 1 3 . 1 1 126 126 THR H H 116 8.760 8.760 8.071 0.689 18547 2655 1 3 . 1 1 127 127 THR N N 117 116.000 116.000 115.825 0.175 18547 2656 1 3 . 1 1 127 127 THR HA H 117 4.390 4.390 4.367 0.023 18547 2657 1 3 . 1 1 127 127 THR C C 117 174.400 174.400 175.224 -0.824 18547 2658 1 3 . 1 1 127 127 THR CA C 117 62.900 62.900 62.741 0.159 18547 2659 1 3 . 1 1 127 127 THR CB C 117 68.800 68.800 69.070 -0.270 18547 2660 1 3 . 1 1 127 127 THR H H 117 8.460 8.460 8.709 -0.249 18547 2661 1 3 . 1 1 128 128 SER N N 118 116.400 116.400 118.047 -1.647 18547 2662 1 3 . 1 1 128 128 SER HA H 118 4.890 4.890 4.483 0.407 18547 2663 1 3 . 1 1 128 128 SER C C 118 174.700 174.700 174.916 -0.216 18547 2664 1 3 . 1 1 128 128 SER CA C 118 55.400 55.400 57.093 -1.693 18547 2665 1 3 . 1 1 128 128 SER CB C 118 63.000 63.000 63.683 -0.683 18547 2666 1 3 . 1 1 128 128 SER H H 118 7.730 7.730 7.537 0.193 18547 2667 1 3 . 1 1 129 129 GLU N N 119 130.300 130.300 129.144 1.156 18547 2668 1 3 . 1 1 129 129 GLU HA H 119 3.940 3.940 3.919 0.021 18547 2669 1 3 . 1 1 129 129 GLU C C 119 178.400 178.400 178.127 0.273 18547 2670 1 3 . 1 1 129 129 GLU CA C 119 59.900 59.900 59.489 0.411 18547 2671 1 3 . 1 1 129 129 GLU CB C 119 29.700 29.700 29.614 0.086 18547 2672 1 3 . 1 1 129 129 GLU H H 119 9.000 9.000 9.067 -0.067 18547 2673 1 3 . 1 1 130 130 GLN N N 120 117.300 117.300 118.434 -1.134 18547 2674 1 3 . 1 1 130 130 GLN HA H 120 4.120 4.120 4.017 0.103 18547 2675 1 3 . 1 1 130 130 GLN C C 120 177.900 177.900 178.504 -0.604 18547 2676 1 3 . 1 1 130 130 GLN CA C 120 58.400 58.400 58.402 -0.002 18547 2677 1 3 . 1 1 130 130 GLN CB C 120 28.000 28.000 28.506 -0.506 18547 2678 1 3 . 1 1 130 130 GLN H H 120 8.410 8.410 8.087 0.323 18547 2679 1 3 . 1 1 131 131 MET N N 121 118.300 118.300 119.799 -1.499 18547 2680 1 3 . 1 1 131 131 MET HA H 121 4.240 4.240 4.235 0.005 18547 2681 1 3 . 1 1 131 131 MET C C 121 176.400 176.400 178.148 -1.748 18547 2682 1 3 . 1 1 131 131 MET CA C 121 57.300 57.300 58.255 -0.955 18547 2683 1 3 . 1 1 131 131 MET CB C 121 32.400 32.400 32.599 -0.199 18547 2684 1 3 . 1 1 131 131 MET H H 121 7.640 7.640 7.661 -0.021 18547 2685 1 3 . 1 1 132 132 LEU N N 122 118.700 118.700 120.282 -1.582 18547 2686 1 3 . 1 1 132 132 LEU HA H 122 3.630 3.630 3.840 -0.210 18547 2687 1 3 . 1 1 132 132 LEU C C 122 177.100 177.100 179.155 -2.055 18547 2688 1 3 . 1 1 132 132 LEU CA C 122 58.300 58.300 57.910 0.390 18547 2689 1 3 . 1 1 132 132 LEU CB C 122 41.900 41.900 41.757 0.144 18547 2690 1 3 . 1 1 132 132 LEU H H 122 7.470 7.470 7.956 -0.486 18547 2691 1 3 . 1 1 133 133 VAL N N 123 114.600 114.600 118.487 -3.887 18547 2692 1 3 . 1 1 133 133 VAL HA H 123 3.360 3.360 3.507 -0.147 18547 2693 1 3 . 1 1 133 133 VAL C C 123 176.700 176.700 177.653 -0.953 18547 2694 1 3 . 1 1 133 133 VAL CA C 123 66.600 66.600 66.741 -0.141 18547 2695 1 3 . 1 1 133 133 VAL CB C 123 31.800 31.800 31.520 0.279 18547 2696 1 3 . 1 1 133 133 VAL H H 123 7.040 7.040 7.498 -0.458 18547 2697 1 3 . 1 1 134 134 GLU N N 124 116.700 116.700 120.054 -3.354 18547 2698 1 3 . 1 1 134 134 GLU HA H 124 3.900 3.900 3.936 -0.036 18547 2699 1 3 . 1 1 134 134 GLU C C 124 180.700 180.700 178.780 1.920 18547 2700 1 3 . 1 1 134 134 GLU CA C 124 59.300 59.300 59.859 -0.559 18547 2701 1 3 . 1 1 134 134 GLU CB C 124 29.900 29.900 29.699 0.201 18547 2702 1 3 . 1 1 134 134 GLU H H 124 7.200 7.200 7.597 -0.397 18547 2703 1 3 . 1 1 135 135 VAL N N 125 114.700 114.700 115.234 -0.534 18547 2704 1 3 . 1 1 135 135 VAL HA H 125 3.930 3.930 3.658 0.272 18547 2705 1 3 . 1 1 135 135 VAL C C 125 177.900 177.900 177.939 -0.039 18547 2706 1 3 . 1 1 135 135 VAL CA C 125 63.800 63.800 65.225 -1.425 18547 2707 1 3 . 1 1 135 135 VAL CB C 125 30.400 30.400 30.119 0.281 18547 2708 1 3 . 1 1 135 135 VAL H H 125 8.620 8.620 8.102 0.518 18547 2709 1 3 . 1 1 136 136 GLY N N 126 112.200 112.200 108.719 3.481 18547 2710 1 3 . 1 1 136 136 GLY C C 126 174.800 174.800 175.834 -1.034 18547 2711 1 3 . 1 1 136 136 GLY CA C 126 47.200 47.200 46.482 0.718 18547 2712 1 3 . 1 1 136 136 GLY H H 126 7.750 7.750 7.577 0.173 18547 2713 1 3 . 1 1 137 137 VAL N N 127 119.100 119.100 122.480 -3.380 18547 2714 1 3 . 1 1 137 137 VAL HA H 127 3.510 3.510 3.931 -0.421 18547 2715 1 3 . 1 1 137 137 VAL C C 127 179.100 179.100 178.144 0.956 18547 2716 1 3 . 1 1 137 137 VAL CA C 127 67.400 67.400 65.260 2.140 18547 2717 1 3 . 1 1 137 137 VAL CB C 127 32.500 32.500 31.179 1.321 18547 2718 1 3 . 1 1 137 137 VAL H H 127 7.680 7.680 7.174 0.506 18547 2719 1 3 . 1 1 138 138 GLY N N 128 106.300 106.300 107.088 -0.788 18547 2720 1 3 . 1 1 138 138 GLY C C 128 177.900 177.900 176.049 1.851 18547 2721 1 3 . 1 1 138 138 GLY CA C 128 47.300 47.300 47.083 0.217 18547 2722 1 3 . 1 1 138 138 GLY H H 128 8.210 8.210 8.089 0.121 18547 2723 1 3 . 1 1 139 139 TRP N N 129 122.500 122.500 121.685 0.815 18547 2724 1 3 . 1 1 139 139 TRP HA H 129 4.890 4.890 4.217 0.673 18547 2725 1 3 . 1 1 139 139 TRP C C 129 179.100 179.100 178.046 1.054 18547 2726 1 3 . 1 1 139 139 TRP CA C 129 59.800 59.800 59.700 0.100 18547 2727 1 3 . 1 1 139 139 TRP CB C 129 30.100 30.100 29.556 0.544 18547 2728 1 3 . 1 1 139 139 TRP H H 129 8.880 8.880 7.903 0.977 18547 2729 1 3 . 1 1 140 140 GLU N N 130 119.000 119.000 119.639 -0.639 18547 2730 1 3 . 1 1 140 140 GLU HA H 130 4.020 4.020 4.007 0.013 18547 2731 1 3 . 1 1 140 140 GLU C C 130 179.300 179.300 179.282 0.018 18547 2732 1 3 . 1 1 140 140 GLU CA C 130 62.900 62.900 59.433 3.467 18547 2733 1 3 . 1 1 140 140 GLU CB C 130 30.600 30.600 29.603 0.997 18547 2734 1 3 . 1 1 140 140 GLU H H 130 8.210 8.210 7.726 0.484 18547 2735 1 3 . 1 1 141 141 MET N N 131 117.100 117.100 117.820 -0.720 18547 2736 1 3 . 1 1 141 141 MET HA H 131 4.330 4.330 4.598 -0.268 18547 2737 1 3 . 1 1 141 141 MET C C 131 178.500 178.500 179.095 -0.595 18547 2738 1 3 . 1 1 141 141 MET CA C 131 57.700 57.700 58.069 -0.369 18547 2739 1 3 . 1 1 141 141 MET CB C 131 30.600 30.600 31.578 -0.978 18547 2740 1 3 . 1 1 141 141 MET H H 131 8.210 8.210 8.359 -0.149 18547 2741 1 3 . 1 1 142 142 ALA N N 132 121.400 121.400 123.181 -1.781 18547 2742 1 3 . 1 1 142 142 ALA HA H 132 4.720 4.720 4.460 0.260 18547 2743 1 3 . 1 1 142 142 ALA C C 132 180.900 180.900 180.123 0.777 18547 2744 1 3 . 1 1 142 142 ALA CA C 132 55.700 55.700 55.200 0.500 18547 2745 1 3 . 1 1 142 142 ALA CB C 132 18.200 18.200 18.186 0.014 18547 2746 1 3 . 1 1 142 142 ALA H H 132 7.910 7.910 7.667 0.243 18547 2747 1 3 . 1 1 143 143 LEU N N 133 117.200 117.200 116.698 0.502 18547 2748 1 3 . 1 1 143 143 LEU HA H 133 4.150 4.150 4.222 -0.072 18547 2749 1 3 . 1 1 143 143 LEU C C 133 180.300 180.300 179.200 1.100 18547 2750 1 3 . 1 1 143 143 LEU CA C 133 57.300 57.300 56.401 0.899 18547 2751 1 3 . 1 1 143 143 LEU CB C 133 40.600 40.600 40.136 0.464 18547 2752 1 3 . 1 1 143 143 LEU H H 133 9.190 9.190 8.224 0.966 18547 2753 1 3 . 1 1 144 144 ASP N N 134 122.600 122.600 122.509 0.091 18547 2754 1 3 . 1 1 144 144 ASP HA H 134 4.580 4.580 4.389 0.191 18547 2755 1 3 . 1 1 144 144 ASP C C 134 179.900 179.900 178.808 1.092 18547 2756 1 3 . 1 1 144 144 ASP CA C 134 57.800 57.800 57.678 0.122 18547 2757 1 3 . 1 1 144 144 ASP CB C 134 39.800 39.800 40.522 -0.722 18547 2758 1 3 . 1 1 144 144 ASP H H 134 7.930 7.930 8.164 -0.234 18547 2759 1 3 . 1 1 145 145 PHE N N 135 119.300 119.300 118.500 0.800 18547 2760 1 3 . 1 1 145 145 PHE HA H 135 4.580 4.580 4.455 0.125 18547 2761 1 3 . 1 1 145 145 PHE C C 135 178.000 178.000 178.107 -0.107 18547 2762 1 3 . 1 1 145 145 PHE CA C 135 61.700 61.700 61.088 0.612 18547 2763 1 3 . 1 1 145 145 PHE CB C 135 39.400 39.400 39.155 0.245 18547 2764 1 3 . 1 1 145 145 PHE H H 135 7.690 7.690 8.069 -0.379 18547 2765 1 3 . 1 1 146 146 LEU N N 136 124.400 124.400 121.918 2.482 18547 2766 1 3 . 1 1 146 146 LEU HA H 136 3.200 3.200 3.360 -0.160 18547 2767 1 3 . 1 1 146 146 LEU C C 136 178.800 178.800 178.125 0.675 18547 2768 1 3 . 1 1 146 146 LEU CA C 136 58.400 58.400 56.773 1.627 18547 2769 1 3 . 1 1 146 146 LEU CB C 136 38.800 38.800 40.745 -1.945 18547 2770 1 3 . 1 1 146 146 LEU H H 136 7.930 7.930 8.433 -0.503 18547 2771 1 3 . 1 1 147 147 GLY N N 137 104.200 104.200 106.929 -2.729 18547 2772 1 3 . 1 1 147 147 GLY C C 137 176.100 176.100 176.320 -0.220 18547 2773 1 3 . 1 1 147 147 GLY CA C 137 47.900 47.900 47.533 0.367 18547 2774 1 3 . 1 1 147 147 GLY H H 137 8.340 8.340 7.909 0.431 18547 2775 1 3 . 1 1 148 148 MET N N 138 119.300 119.300 120.515 -1.215 18547 2776 1 3 . 1 1 148 148 MET HA H 138 4.090 4.090 4.267 -0.177 18547 2777 1 3 . 1 1 148 148 MET C C 138 177.700 177.700 178.657 -0.957 18547 2778 1 3 . 1 1 148 148 MET CA C 138 59.400 59.400 56.982 2.418 18547 2779 1 3 . 1 1 148 148 MET CB C 138 34.500 34.500 31.746 2.754 18547 2780 1 3 . 1 1 148 148 MET H H 138 7.550 7.550 7.959 -0.409 18547 2781 1 3 . 1 1 149 149 PHE N N 139 120.400 120.400 120.883 -0.483 18547 2782 1 3 . 1 1 149 149 PHE HA H 139 4.380 4.380 4.315 0.065 18547 2783 1 3 . 1 1 149 149 PHE C C 139 179.100 179.100 177.074 2.026 18547 2784 1 3 . 1 1 149 149 PHE CA C 139 60.800 60.800 60.781 0.019 18547 2785 1 3 . 1 1 149 149 PHE CB C 139 39.200 39.200 39.026 0.174 18547 2786 1 3 . 1 1 149 149 PHE H H 139 8.600 8.600 7.892 0.708 18547 2787 1 3 . 1 1 150 150 ILE N N 140 121.300 121.300 118.009 3.291 18547 2788 1 3 . 1 1 150 150 ILE HA H 140 3.420 3.420 3.543 -0.123 18547 2789 1 3 . 1 1 150 150 ILE C C 140 177.500 177.500 176.582 0.918 18547 2790 1 3 . 1 1 150 150 ILE CA C 140 63.100 63.100 63.739 -0.639 18547 2791 1 3 . 1 1 150 150 ILE CB C 140 37.100 37.100 38.858 -1.758 18547 2792 1 3 . 1 1 150 150 ILE H H 140 8.780 8.780 7.928 0.852 18547 2793 1 3 . 1 1 151 151 ARG N N 141 116.500 116.500 119.164 -2.664 18547 2794 1 3 . 1 1 151 151 ARG HA H 141 4.220 4.220 4.466 -0.246 18547 2795 1 3 . 1 1 151 151 ARG C C 141 176.700 176.700 174.453 2.247 18547 2796 1 3 . 1 1 151 151 ARG CA C 141 57.500 57.500 55.994 1.506 18547 2797 1 3 . 1 1 151 151 ARG CB C 141 31.500 31.500 31.104 0.396 18547 2798 1 3 . 1 1 151 151 ARG H H 141 7.730 7.730 7.975 -0.245 18547 2799 1 3 . 1 1 152 152 GLY N N 142 106.800 106.800 109.084 -2.284 18547 2800 1 3 . 1 1 152 152 GLY C C 142 174.900 174.900 173.435 1.465 18547 2801 1 3 . 1 1 152 152 GLY CA C 142 45.700 45.700 45.714 -0.014 18547 2802 1 3 . 1 1 152 152 GLY H H 142 7.570 7.570 7.965 -0.395 18547 2803 1 3 . 1 1 153 153 ASP N N 143 119.400 119.400 118.926 0.474 18547 2804 1 3 . 1 1 153 153 ASP HA H 143 4.780 4.780 4.302 0.478 18547 2805 1 3 . 1 1 153 153 ASP C C 143 175.400 175.400 175.329 0.071 18547 2806 1 3 . 1 1 153 153 ASP CA C 143 54.200 54.200 54.998 -0.798 18547 2807 1 3 . 1 1 153 153 ASP CB C 143 42.100 42.100 39.833 2.268 18547 2808 1 3 . 1 1 153 153 ASP H H 143 8.290 8.290 7.818 0.472 18547 2809 1 3 . 1 1 154 154 LEU N N 144 121.300 121.300 124.213 -2.913 18547 2810 1 3 . 1 1 154 154 LEU HA H 144 4.810 4.810 4.763 0.047 18547 2811 1 3 . 1 1 154 154 LEU CA C 144 52.800 52.800 53.201 -0.401 18547 2812 1 3 . 1 1 154 154 LEU CB C 144 42.500 42.500 42.778 -0.278 18547 2813 1 3 . 1 1 154 154 LEU H H 144 8.010 8.010 8.386 -0.376 18547 2814 1 3 . 1 1 155 155 PRO HA H 145 4.480 4.480 4.546 -0.066 18547 2815 1 3 . 1 1 155 155 PRO C C 145 177.600 177.600 176.433 1.167 18547 2816 1 3 . 1 1 155 155 PRO CA C 145 63.500 63.500 62.966 0.534 18547 2817 1 3 . 1 1 155 155 PRO CB C 145 32.200 32.200 31.138 1.062 18547 2818 1 3 . 1 1 156 156 GLY N N 146 108.900 108.900 112.729 -3.829 18547 2819 1 3 . 1 1 156 156 GLY C C 146 174.300 174.300 173.785 0.515 18547 2820 1 3 . 1 1 156 156 GLY CA C 146 45.100 45.100 45.088 0.012 18547 2821 1 3 . 1 1 156 156 GLY H H 146 8.530 8.530 8.343 0.187 18547 2822 1 3 . 1 1 157 157 GLY N N 147 108.800 108.800 113.403 -4.603 18547 2823 1 3 . 1 1 157 157 GLY CA C 147 44.500 44.500 46.034 -1.534 18547 2824 1 3 . 1 1 157 157 GLY H H 147 8.080 8.080 7.563 0.517 18547 2825 1 3 . 1 1 158 158 PRO HA H 148 4.440 4.440 4.453 -0.013 18547 2826 1 3 . 1 1 158 158 PRO C C 148 176.800 176.800 176.567 0.233 18547 2827 1 3 . 1 1 158 158 PRO CA C 148 63.000 63.000 63.364 -0.364 18547 2828 1 3 . 1 1 158 158 PRO CB C 148 32.100 32.100 32.051 0.049 18547 2829 1 3 . 1 1 159 159 VAL N N 149 121.400 121.400 116.870 4.530 18547 2830 1 3 . 1 1 159 159 VAL HA H 149 4.390 4.390 3.833 0.557 18547 2831 1 3 . 1 1 159 159 VAL CA C 149 59.800 59.800 61.814 -2.014 18547 2832 1 3 . 1 1 159 159 VAL CB C 149 32.600 32.600 31.390 1.210 18547 2833 1 3 . 1 1 159 159 VAL H H 149 8.220 8.220 7.635 0.585 18547 2834 1 3 . 1 1 160 160 PRO HA H 150 4.380 4.380 4.317 0.063 18547 2835 1 3 . 1 1 160 160 PRO C C 150 177.200 177.200 177.144 0.056 18547 2836 1 3 . 1 1 160 160 PRO CA C 150 63.300 63.300 65.321 -2.021 18547 2837 1 3 . 1 1 160 160 PRO CB C 150 32.100 32.100 32.053 0.047 18547 2838 1 3 . 1 1 161 161 GLU N N 151 120.700 120.700 116.960 3.740 18547 2839 1 3 . 1 1 161 161 GLU HA H 151 4.170 4.170 4.276 -0.106 18547 2840 1 3 . 1 1 161 161 GLU CA C 151 57.400 57.400 56.956 0.445 18547 2841 1 3 . 1 1 161 161 GLU CB C 151 29.900 29.900 29.590 0.310 18547 2842 1 3 . 1 1 161 161 GLU H H 151 8.620 8.620 8.542 0.078 18547 2843 1 3 . 1 1 162 162 ASP N N 152 119.900 119.900 119.548 0.352 18547 2844 1 3 . 1 1 162 162 ASP HA H 152 4.570 4.570 4.231 0.339 18547 2845 1 3 . 1 1 162 162 ASP C C 152 176.000 176.000 175.478 0.522 18547 2846 1 3 . 1 1 162 162 ASP CA C 152 54.200 54.200 55.044 -0.844 18547 2847 1 3 . 1 1 162 162 ASP CB C 152 41.000 41.000 40.011 0.989 18547 2848 1 3 . 1 1 162 162 ASP H H 152 8.250 8.250 8.274 -0.024 18547 2849 1 3 . 1 1 163 163 ALA N N 153 124.000 124.000 117.594 6.406 18547 2850 1 3 . 1 1 163 163 ALA HA H 153 4.270 4.270 3.975 0.295 18547 2851 1 3 . 1 1 163 163 ALA C C 153 177.400 177.400 176.906 0.494 18547 2852 1 3 . 1 1 163 163 ALA CA C 153 52.700 52.700 52.616 0.084 18547 2853 1 3 . 1 1 163 163 ALA CB C 153 19.200 19.200 17.993 1.207 18547 2854 1 3 . 1 1 163 163 ALA H H 153 8.040 8.040 7.880 0.160 18547 2855 1 3 . 1 1 164 164 ALA N N 154 122.600 122.600 121.735 0.865 18547 2856 1 3 . 1 1 164 164 ALA HA H 154 4.260 4.260 4.458 -0.198 18547 2857 1 3 . 1 1 164 164 ALA C C 154 177.900 177.900 176.926 0.974 18547 2858 1 3 . 1 1 164 164 ALA CA C 154 52.600 52.600 50.872 1.728 18547 2859 1 3 . 1 1 164 164 ALA CB C 154 19.300 19.300 20.161 -0.861 18547 2860 1 3 . 1 1 164 164 ALA H H 154 8.190 8.190 7.749 0.441 18547 2861 1 3 . 1 1 165 165 GLU N N 155 119.400 119.400 118.822 0.578 18547 2862 1 3 . 1 1 165 165 GLU HA H 155 4.220 4.220 4.435 -0.215 18547 2863 1 3 . 1 1 165 165 GLU C C 155 176.200 176.200 175.759 0.441 18547 2864 1 3 . 1 1 165 165 GLU CA C 155 56.500 56.500 56.097 0.403 18547 2865 1 3 . 1 1 165 165 GLU CB C 155 30.300 30.300 28.573 1.727 18547 2866 1 3 . 1 1 165 165 GLU H H 155 8.190 8.190 8.633 -0.443 18547 2867 1 3 . 1 1 166 166 GLU N N 156 121.000 121.000 123.275 -2.275 18547 2868 1 3 . 1 1 166 166 GLU HA H 156 4.240 4.240 4.380 -0.140 18547 2869 1 3 . 1 1 166 166 GLU C C 156 175.800 175.800 175.383 0.417 18547 2870 1 3 . 1 1 166 166 GLU CA C 156 56.300 56.300 54.450 1.850 18547 2871 1 3 . 1 1 166 166 GLU CB C 156 30.300 30.300 28.494 1.806 18547 2872 1 3 . 1 1 166 166 GLU H H 156 8.230 8.230 8.177 0.053 18547 2873 1 3 . 1 1 167 167 PHE N N 157 121.400 121.400 121.436 -0.036 18547 2874 1 3 . 1 1 167 167 PHE HA H 157 4.590 4.590 4.582 0.008 18547 2875 1 3 . 1 1 167 167 PHE C C 157 175.100 175.100 175.452 -0.352 18547 2876 1 3 . 1 1 167 167 PHE CA C 157 57.700 57.700 57.053 0.647 18547 2877 1 3 . 1 1 167 167 PHE CB C 157 39.900 39.900 37.882 2.018 18547 2878 1 3 . 1 1 167 167 PHE H H 157 8.240 8.240 7.918 0.322 18547 2879 1 3 . 1 1 168 168 GLU N N 158 124.400 124.400 124.608 -0.208 18547 2880 1 3 . 1 1 168 168 GLU HA H 158 4.600 4.600 4.692 -0.092 18547 2881 1 3 . 1 1 168 168 GLU CA C 158 53.700 53.700 53.035 0.665 18547 2882 1 3 . 1 1 168 168 GLU CB C 158 30.400 30.400 30.698 -0.298 18547 2883 1 3 . 1 1 168 168 GLU H H 158 8.130 8.130 8.001 0.129 18547 2884 1 3 . 1 1 169 169 PRO HA H 159 4.460 4.460 4.635 -0.175 18547 2885 1 3 . 1 1 169 169 PRO C C 159 176.200 176.200 175.938 0.262 18547 2886 1 3 . 1 1 169 169 PRO CA C 159 62.800 62.800 62.506 0.294 18547 2887 1 3 . 1 1 169 169 PRO CB C 159 32.300 32.300 31.261 1.039 18547 2888 1 3 . 1 1 170 170 SER N N 160 118.600 118.600 118.913 -0.313 18547 2889 1 3 . 1 1 170 170 SER HA H 160 4.780 4.780 4.605 0.175 18547 2890 1 3 . 1 1 170 170 SER CA C 160 56.200 56.200 56.999 -0.799 18547 2891 1 3 . 1 1 170 170 SER CB C 160 63.200 63.200 63.341 -0.141 18547 2892 1 3 . 1 1 170 170 SER H H 160 8.290 8.290 7.729 0.561 18547 2893 1 3 . 1 1 171 171 PRO HA H 161 4.350 4.350 4.279 0.071 18547 2894 1 3 . 1 1 171 171 PRO C C 161 179.400 179.400 179.171 0.229 18547 2895 1 3 . 1 1 171 171 PRO CA C 161 65.500 65.500 65.374 0.126 18547 2896 1 3 . 1 1 171 171 PRO CB C 161 31.700 31.700 31.995 -0.295 18547 2897 1 3 . 1 1 172 172 GLU N N 162 118.300 118.300 119.446 -1.146 18547 2898 1 3 . 1 1 172 172 GLU HA H 162 4.160 4.160 4.095 0.065 18547 2899 1 3 . 1 1 172 172 GLU C C 162 178.300 178.300 178.644 -0.344 18547 2900 1 3 . 1 1 172 172 GLU CA C 162 59.300 59.300 59.674 -0.374 18547 2901 1 3 . 1 1 172 172 GLU CB C 162 29.400 29.400 29.336 0.064 18547 2902 1 3 . 1 1 172 172 GLU H H 162 8.540 8.540 8.540 0.000 18547 2903 1 3 . 1 1 173 173 MET N N 163 119.400 119.400 119.319 0.081 18547 2904 1 3 . 1 1 173 173 MET HA H 163 4.260 4.260 4.230 0.030 18547 2905 1 3 . 1 1 173 173 MET C C 163 179.200 179.200 178.532 0.668 18547 2906 1 3 . 1 1 173 173 MET CA C 163 58.200 58.200 57.809 0.391 18547 2907 1 3 . 1 1 173 173 MET CB C 163 32.500 32.500 32.246 0.254 18547 2908 1 3 . 1 1 173 173 MET H H 163 7.830 7.830 7.729 0.101 18547 2909 1 3 . 1 1 174 174 MET N N 164 119.300 119.300 119.073 0.227 18547 2910 1 3 . 1 1 174 174 MET HA H 164 4.260 4.260 4.078 0.182 18547 2911 1 3 . 1 1 174 174 MET C C 164 178.600 178.600 178.435 0.165 18547 2912 1 3 . 1 1 174 174 MET CA C 164 58.200 58.200 59.765 -1.565 18547 2913 1 3 . 1 1 174 174 MET CB C 164 31.900 31.900 32.383 -0.482 18547 2914 1 3 . 1 1 174 174 MET H H 164 8.320 8.320 8.530 -0.210 18547 2915 1 3 . 1 1 175 175 ARG N N 165 121.200 121.200 119.908 1.292 18547 2916 1 3 . 1 1 175 175 ARG HA H 165 4.160 4.160 3.989 0.171 18547 2917 1 3 . 1 1 175 175 ARG C C 165 178.800 178.800 178.668 0.132 18547 2918 1 3 . 1 1 175 175 ARG CA C 165 59.400 59.400 59.558 -0.158 18547 2919 1 3 . 1 1 175 175 ARG CB C 165 29.900 29.900 30.246 -0.346 18547 2920 1 3 . 1 1 175 175 ARG H H 165 8.020 8.020 7.641 0.379 18547 2921 1 3 . 1 1 176 176 ILE N N 166 120.500 120.500 118.991 1.509 18547 2922 1 3 . 1 1 176 176 ILE HA H 166 3.920 3.920 3.633 0.287 18547 2923 1 3 . 1 1 176 176 ILE C C 166 178.500 178.500 178.095 0.405 18547 2924 1 3 . 1 1 176 176 ILE CA C 166 64.500 64.500 65.501 -1.001 18547 2925 1 3 . 1 1 176 176 ILE CB C 166 37.900 37.900 37.715 0.186 18547 2926 1 3 . 1 1 176 176 ILE H H 166 8.110 8.110 8.614 -0.504 18547 2927 1 3 . 1 1 177 177 SER N N 167 116.300 116.300 115.557 0.743 18547 2928 1 3 . 1 1 177 177 SER HA H 167 4.240 4.240 4.189 0.051 18547 2929 1 3 . 1 1 177 177 SER C C 167 177.300 177.300 177.055 0.245 18547 2930 1 3 . 1 1 177 177 SER CA C 167 62.500 62.500 61.810 0.690 18547 2931 1 3 . 1 1 177 177 SER CB C 167 62.800 62.800 62.656 0.144 18547 2932 1 3 . 1 1 177 177 SER H H 167 8.290 8.290 7.850 0.440 18547 2933 1 3 . 1 1 178 178 GLN N N 168 123.300 123.300 122.454 0.846 18547 2934 1 3 . 1 1 178 178 GLN HA H 168 4.110 4.110 4.017 0.093 18547 2935 1 3 . 1 1 178 178 GLN C C 168 178.600 178.600 178.552 0.048 18547 2936 1 3 . 1 1 178 178 GLN CA C 168 59.200 59.200 58.964 0.236 18547 2937 1 3 . 1 1 178 178 GLN CB C 168 28.000 28.000 28.554 -0.554 18547 2938 1 3 . 1 1 178 178 GLN H H 168 8.080 8.080 7.976 0.104 18547 2939 1 3 . 1 1 179 179 GLU N N 169 121.200 121.200 118.188 3.012 18547 2940 1 3 . 1 1 179 179 GLU HA H 169 4.090 4.090 3.981 0.109 18547 2941 1 3 . 1 1 179 179 GLU C C 169 180.500 180.500 179.467 1.033 18547 2942 1 3 . 1 1 179 179 GLU CA C 169 59.500 59.500 59.291 0.209 18547 2943 1 3 . 1 1 179 179 GLU CB C 169 29.700 29.700 28.933 0.767 18547 2944 1 3 . 1 1 179 179 GLU H H 169 8.380 8.380 8.152 0.228 18547 2945 1 3 . 1 1 180 180 ARG N N 170 120.800 120.800 117.674 3.126 18547 2946 1 3 . 1 1 180 180 ARG HA H 170 4.010 4.010 4.165 -0.155 18547 2947 1 3 . 1 1 180 180 ARG C C 170 178.100 178.100 178.864 -0.764 18547 2948 1 3 . 1 1 180 180 ARG CA C 170 59.900 59.900 58.901 0.999 18547 2949 1 3 . 1 1 180 180 ARG CB C 170 30.600 30.600 30.019 0.581 18547 2950 1 3 . 1 1 180 180 ARG H H 170 8.670 8.670 8.247 0.423 18547 2951 1 3 . 1 1 181 181 GLY N N 171 108.200 108.200 106.304 1.896 18547 2952 1 3 . 1 1 181 181 GLY C C 171 176.600 176.600 176.016 0.584 18547 2953 1 3 . 1 1 181 181 GLY CA C 171 47.800 47.800 46.241 1.559 18547 2954 1 3 . 1 1 181 181 GLY H H 171 8.550 8.550 8.018 0.532 18547 2955 1 3 . 1 1 182 182 GLU N N 172 121.900 121.900 122.052 -0.152 18547 2956 1 3 . 1 1 182 182 GLU HA H 172 4.110 4.110 4.231 -0.121 18547 2957 1 3 . 1 1 182 182 GLU C C 172 179.300 179.300 178.165 1.135 18547 2958 1 3 . 1 1 182 182 GLU CA C 172 59.300 59.300 58.431 0.869 18547 2959 1 3 . 1 1 182 182 GLU CB C 172 29.300 29.300 29.584 -0.284 18547 2960 1 3 . 1 1 182 182 GLU H H 172 8.190 8.190 8.517 -0.327 18547 2961 1 3 . 1 1 183 183 ALA N N 173 123.500 123.500 123.070 0.430 18547 2962 1 3 . 1 1 183 183 ALA HA H 173 4.150 4.150 4.060 0.090 18547 2963 1 3 . 1 1 183 183 ALA C C 173 181.500 181.500 179.430 2.070 18547 2964 1 3 . 1 1 183 183 ALA CA C 173 55.000 55.000 54.849 0.151 18547 2965 1 3 . 1 1 183 183 ALA CB C 173 17.100 17.100 17.942 -0.841 18547 2966 1 3 . 1 1 183 183 ALA H H 173 7.800 7.800 7.551 0.249 18547 2967 1 3 . 1 1 184 184 TRP N N 174 118.100 118.100 117.726 0.374 18547 2968 1 3 . 1 1 184 184 TRP HA H 174 4.540 4.540 4.295 0.245 18547 2969 1 3 . 1 1 184 184 TRP C C 174 178.500 178.500 178.348 0.152 18547 2970 1 3 . 1 1 184 184 TRP CA C 174 60.600 60.600 59.733 0.866 18547 2971 1 3 . 1 1 184 184 TRP CB C 174 30.800 30.800 29.222 1.578 18547 2972 1 3 . 1 1 184 184 TRP H H 174 8.400 8.400 7.858 0.542 18547 2973 1 3 . 1 1 185 185 ALA N N 175 121.700 121.700 122.711 -1.011 18547 2974 1 3 . 1 1 185 185 ALA HA H 175 3.920 3.920 3.983 -0.063 18547 2975 1 3 . 1 1 185 185 ALA C C 175 179.600 179.600 179.108 0.492 18547 2976 1 3 . 1 1 185 185 ALA CA C 175 55.600 55.600 54.954 0.646 18547 2977 1 3 . 1 1 185 185 ALA CB C 175 17.900 17.900 17.740 0.160 18547 2978 1 3 . 1 1 185 185 ALA H H 175 8.800 8.800 7.790 1.010 18547 2979 1 3 . 1 1 186 186 ALA N N 176 119.000 119.000 121.514 -2.514 18547 2980 1 3 . 1 1 186 186 ALA HA H 176 4.190 4.190 4.051 0.139 18547 2981 1 3 . 1 1 186 186 ALA C C 176 180.300 180.300 180.054 0.246 18547 2982 1 3 . 1 1 186 186 ALA CA C 176 54.800 54.800 54.992 -0.192 18547 2983 1 3 . 1 1 186 186 ALA CB C 176 17.900 17.900 18.226 -0.326 18547 2984 1 3 . 1 1 186 186 ALA H H 176 7.860 7.860 7.646 0.214 18547 2985 1 3 . 1 1 187 187 LEU N N 177 118.500 118.500 118.098 0.402 18547 2986 1 3 . 1 1 187 187 LEU HA H 177 4.210 4.210 4.035 0.175 18547 2987 1 3 . 1 1 187 187 LEU C C 177 179.400 179.400 179.482 -0.082 18547 2988 1 3 . 1 1 187 187 LEU CA C 177 57.600 57.600 57.456 0.144 18547 2989 1 3 . 1 1 187 187 LEU CB C 177 42.700 42.700 41.924 0.776 18547 2990 1 3 . 1 1 187 187 LEU H H 177 7.460 7.460 8.031 -0.571 18547 2991 1 3 . 1 1 188 188 VAL N N 178 118.500 118.500 119.447 -0.947 18547 2992 1 3 . 1 1 188 188 VAL HA H 178 3.660 3.660 3.655 0.005 18547 2993 1 3 . 1 1 188 188 VAL C C 178 177.600 177.600 176.924 0.676 18547 2994 1 3 . 1 1 188 188 VAL CA C 178 66.000 66.000 65.107 0.893 18547 2995 1 3 . 1 1 188 188 VAL CB C 178 32.400 32.400 31.837 0.563 18547 2996 1 3 . 1 1 188 188 VAL H H 178 8.640 8.640 7.844 0.796 18547 2997 1 3 . 1 1 189 189 HIS N N 179 116.000 116.000 117.713 -1.713 18547 2998 1 3 . 1 1 189 189 HIS HA H 179 4.780 4.780 4.893 -0.113 18547 2999 1 3 . 1 1 189 189 HIS C C 179 175.300 175.300 176.578 -1.278 18547 3000 1 3 . 1 1 189 189 HIS CA C 179 56.200 56.200 57.498 -1.298 18547 3001 1 3 . 1 1 189 189 HIS CB C 179 28.500 28.500 29.433 -0.933 18547 3002 1 3 . 1 1 189 189 HIS H H 179 8.150 8.150 7.922 0.228 18547 3003 1 3 . 1 1 190 190 SER N N 180 115.000 115.000 114.497 0.503 18547 3004 1 3 . 1 1 190 190 SER HA H 180 4.480 4.480 4.488 -0.008 18547 3005 1 3 . 1 1 190 190 SER C C 180 175.100 175.100 176.059 -0.959 18547 3006 1 3 . 1 1 190 190 SER CA C 180 59.500 59.500 59.392 0.108 18547 3007 1 3 . 1 1 190 190 SER CB C 180 64.000 64.000 63.864 0.136 18547 3008 1 3 . 1 1 190 190 SER H H 180 7.820 7.820 7.914 -0.094 18547 3009 1 3 . 1 1 191 191 GLY N N 181 111.100 111.100 109.218 1.882 18547 3010 1 3 . 1 1 191 191 GLY C C 181 173.400 173.400 174.253 -0.853 18547 3011 1 3 . 1 1 191 191 GLY CA C 181 45.500 45.500 45.563 -0.063 18547 3012 1 3 . 1 1 191 191 GLY H H 181 8.330 8.330 7.739 0.591 18547 3013 1 4 . 1 1 12 12 ALA N N 2 125.600 125.600 124.280 1.320 18547 3014 1 4 . 1 1 12 12 ALA HA H 2 4.300 4.300 4.081 0.219 18547 3015 1 4 . 1 1 12 12 ALA C C 2 177.600 177.600 176.002 1.598 18547 3016 1 4 . 1 1 12 12 ALA CA C 2 52.600 52.600 52.729 -0.129 18547 3017 1 4 . 1 1 12 12 ALA CB C 2 19.200 19.200 18.753 0.447 18547 3018 1 4 . 1 1 12 12 ALA H H 2 8.380 8.380 8.413 -0.033 18547 3019 1 4 . 1 1 13 13 SER N N 3 115.000 115.000 118.747 -3.747 18547 3020 1 4 . 1 1 13 13 SER HA H 3 4.390 4.390 4.538 -0.148 18547 3021 1 4 . 1 1 13 13 SER C C 3 175.100 175.100 174.773 0.327 18547 3022 1 4 . 1 1 13 13 SER CA C 3 58.500 58.500 58.377 0.123 18547 3023 1 4 . 1 1 13 13 SER CB C 3 63.800 63.800 64.556 -0.756 18547 3024 1 4 . 1 1 13 13 SER H H 3 8.250 8.250 8.172 0.078 18547 3025 1 4 . 1 1 14 14 GLY N N 4 110.700 110.700 111.771 -1.071 18547 3026 1 4 . 1 1 14 14 GLY C C 4 174.000 174.000 174.087 -0.087 18547 3027 1 4 . 1 1 14 14 GLY CA C 4 45.400 45.400 44.941 0.459 18547 3028 1 4 . 1 1 14 14 GLY H H 4 8.390 8.390 8.663 -0.273 18547 3029 1 4 . 1 1 15 15 GLN N N 5 120.100 120.100 119.043 1.057 18547 3030 1 4 . 1 1 15 15 GLN HA H 5 4.310 4.310 3.766 0.544 18547 3031 1 4 . 1 1 15 15 GLN C C 5 175.500 175.500 175.050 0.450 18547 3032 1 4 . 1 1 15 15 GLN CA C 5 55.600 55.600 55.920 -0.320 18547 3033 1 4 . 1 1 15 15 GLN CB C 5 29.700 29.700 26.074 3.626 18547 3034 1 4 . 1 1 15 15 GLN H H 5 8.190 8.190 7.854 0.336 18547 3035 1 4 . 1 1 16 16 ALA N N 6 126.000 126.000 125.085 0.915 18547 3036 1 4 . 1 1 16 16 ALA HA H 6 4.360 4.360 4.343 0.017 18547 3037 1 4 . 1 1 16 16 ALA C C 6 177.300 177.300 176.281 1.019 18547 3038 1 4 . 1 1 16 16 ALA CA C 6 52.300 52.300 51.474 0.826 18547 3039 1 4 . 1 1 16 16 ALA CB C 6 19.200 19.200 18.482 0.718 18547 3040 1 4 . 1 1 16 16 ALA H H 6 8.400 8.400 8.231 0.169 18547 3041 1 4 . 1 1 17 17 THR N N 7 119.200 119.200 119.691 -0.491 18547 3042 1 4 . 1 1 17 17 THR HA H 7 4.370 4.370 4.869 -0.499 18547 3043 1 4 . 1 1 17 17 THR C C 7 173.600 173.600 174.455 -0.855 18547 3044 1 4 . 1 1 17 17 THR CA C 7 63.200 63.200 62.413 0.787 18547 3045 1 4 . 1 1 17 17 THR CB C 7 70.600 70.600 69.783 0.817 18547 3046 1 4 . 1 1 17 17 THR H H 7 8.180 8.180 7.747 0.433 18547 3047 1 4 . 1 1 18 18 GLU N N 8 127.500 127.500 128.054 -0.554 18547 3048 1 4 . 1 1 18 18 GLU HA H 8 4.540 4.540 4.580 -0.040 18547 3049 1 4 . 1 1 18 18 GLU C C 8 174.200 174.200 175.375 -1.175 18547 3050 1 4 . 1 1 18 18 GLU CA C 8 55.100 55.100 55.071 0.029 18547 3051 1 4 . 1 1 18 18 GLU CB C 8 31.900 31.900 31.584 0.316 18547 3052 1 4 . 1 1 18 18 GLU H H 8 8.810 8.810 8.213 0.597 18547 3053 1 4 . 1 1 19 19 ARG N N 9 122.100 122.100 125.401 -3.301 18547 3054 1 4 . 1 1 19 19 ARG HA H 9 5.060 5.060 4.831 0.229 18547 3055 1 4 . 1 1 19 19 ARG C C 9 175.000 175.000 175.606 -0.606 18547 3056 1 4 . 1 1 19 19 ARG CA C 9 54.800 54.800 56.360 -1.560 18547 3057 1 4 . 1 1 19 19 ARG CB C 9 31.600 31.600 30.874 0.726 18547 3058 1 4 . 1 1 19 19 ARG H H 9 8.070 8.070 8.724 -0.654 18547 3059 1 4 . 1 1 20 20 ALA N N 10 126.300 126.300 127.417 -1.117 18547 3060 1 4 . 1 1 20 20 ALA HA H 10 4.640 4.640 4.670 -0.030 18547 3061 1 4 . 1 1 20 20 ALA C C 10 173.800 173.800 174.982 -1.182 18547 3062 1 4 . 1 1 20 20 ALA CA C 10 51.100 51.100 51.419 -0.319 18547 3063 1 4 . 1 1 20 20 ALA CB C 10 22.800 22.800 22.064 0.735 18547 3064 1 4 . 1 1 20 20 ALA H H 10 9.390 9.390 8.823 0.567 18547 3065 1 4 . 1 1 21 21 LEU N N 11 117.500 117.500 119.337 -1.837 18547 3066 1 4 . 1 1 21 21 LEU HA H 11 5.790 5.790 5.486 0.304 18547 3067 1 4 . 1 1 21 21 LEU C C 11 178.100 178.100 175.978 2.122 18547 3068 1 4 . 1 1 21 21 LEU CA C 11 53.100 53.100 53.997 -0.897 18547 3069 1 4 . 1 1 21 21 LEU CB C 11 45.400 45.400 46.994 -1.594 18547 3070 1 4 . 1 1 21 21 LEU H H 11 8.280 8.280 8.317 -0.037 18547 3071 1 4 . 1 1 22 22 GLY N N 12 113.400 113.400 110.370 3.030 18547 3072 1 4 . 1 1 22 22 GLY C C 12 174.800 174.800 172.261 2.539 18547 3073 1 4 . 1 1 22 22 GLY CA C 12 44.500 44.500 44.863 -0.363 18547 3074 1 4 . 1 1 22 22 GLY H H 12 8.830 8.830 9.040 -0.210 18547 3075 1 4 . 1 1 23 23 ARG N N 13 119.600 119.600 118.478 1.122 18547 3076 1 4 . 1 1 23 23 ARG HA H 13 5.040 5.040 4.635 0.405 18547 3077 1 4 . 1 1 23 23 ARG C C 13 174.900 174.900 175.463 -0.563 18547 3078 1 4 . 1 1 23 23 ARG CA C 13 55.800 55.800 54.684 1.116 18547 3079 1 4 . 1 1 23 23 ARG CB C 13 33.600 33.600 32.289 1.311 18547 3080 1 4 . 1 1 23 23 ARG H H 13 8.160 8.160 8.387 -0.227 18547 3081 1 4 . 1 1 24 24 ARG N N 14 121.900 121.900 122.269 -0.369 18547 3082 1 4 . 1 1 24 24 ARG HA H 14 4.530 4.530 4.639 -0.109 18547 3083 1 4 . 1 1 24 24 ARG C C 14 174.000 174.000 174.597 -0.597 18547 3084 1 4 . 1 1 24 24 ARG CA C 14 55.200 55.200 55.686 -0.486 18547 3085 1 4 . 1 1 24 24 ARG CB C 14 34.700 34.700 33.901 0.799 18547 3086 1 4 . 1 1 24 24 ARG H H 14 8.780 8.780 8.670 0.110 18547 3087 1 4 . 1 1 25 25 THR N N 15 121.700 121.700 119.486 2.214 18547 3088 1 4 . 1 1 25 25 THR HA H 15 4.420 4.420 4.747 -0.327 18547 3089 1 4 . 1 1 25 25 THR C C 15 173.700 173.700 173.816 -0.116 18547 3090 1 4 . 1 1 25 25 THR CA C 15 63.600 63.600 61.610 1.990 18547 3091 1 4 . 1 1 25 25 THR CB C 15 68.600 68.600 69.776 -1.176 18547 3092 1 4 . 1 1 25 25 THR H H 15 8.800 8.800 8.274 0.526 18547 3093 1 4 . 1 1 26 26 ILE N N 16 124.200 124.200 121.072 3.128 18547 3094 1 4 . 1 1 26 26 ILE HA H 16 4.940 4.940 4.857 0.083 18547 3095 1 4 . 1 1 26 26 ILE CA C 16 59.300 59.300 57.291 2.009 18547 3096 1 4 . 1 1 26 26 ILE CB C 16 38.200 38.200 39.151 -0.951 18547 3097 1 4 . 1 1 26 26 ILE H H 16 8.420 8.420 8.275 0.145 18547 3098 1 4 . 1 1 27 27 PRO HA H 17 4.180 4.180 4.220 -0.040 18547 3099 1 4 . 1 1 27 27 PRO C C 17 178.100 178.100 176.966 1.134 18547 3100 1 4 . 1 1 27 27 PRO CA C 17 67.200 67.200 65.390 1.810 18547 3101 1 4 . 1 1 27 27 PRO CB C 17 30.700 30.700 31.387 -0.687 18547 3102 1 4 . 1 1 28 28 ALA N N 18 114.800 114.800 119.349 -4.549 18547 3103 1 4 . 1 1 28 28 ALA HA H 18 4.270 4.270 4.296 -0.026 18547 3104 1 4 . 1 1 28 28 ALA C C 18 177.000 177.000 177.523 -0.523 18547 3105 1 4 . 1 1 28 28 ALA CA C 18 53.100 53.100 53.049 0.051 18547 3106 1 4 . 1 1 28 28 ALA CB C 18 19.500 19.500 19.594 -0.094 18547 3107 1 4 . 1 1 28 28 ALA H H 18 8.060 8.060 8.333 -0.273 18547 3108 1 4 . 1 1 29 29 GLY N N 19 107.100 107.100 105.517 1.583 18547 3109 1 4 . 1 1 29 29 GLY C C 19 171.900 171.900 172.061 -0.161 18547 3110 1 4 . 1 1 29 29 GLY CA C 19 44.000 44.000 44.706 -0.706 18547 3111 1 4 . 1 1 29 29 GLY H H 19 8.140 8.140 7.443 0.697 18547 3112 1 4 . 1 1 30 30 GLU N N 20 120.000 120.000 121.368 -1.368 18547 3113 1 4 . 1 1 30 30 GLU HA H 20 4.320 4.320 4.394 -0.074 18547 3114 1 4 . 1 1 30 30 GLU C C 20 175.600 175.600 175.525 0.075 18547 3115 1 4 . 1 1 30 30 GLU CA C 20 57.300 57.300 57.129 0.171 18547 3116 1 4 . 1 1 30 30 GLU CB C 20 29.100 29.100 29.949 -0.849 18547 3117 1 4 . 1 1 30 30 GLU H H 20 8.380 8.380 8.516 -0.136 18547 3118 1 4 . 1 1 31 31 ALA N N 21 129.500 129.500 128.149 1.351 18547 3119 1 4 . 1 1 31 31 ALA HA H 21 4.610 4.610 4.809 -0.199 18547 3120 1 4 . 1 1 31 31 ALA C C 21 177.200 177.200 175.530 1.670 18547 3121 1 4 . 1 1 31 31 ALA CA C 21 51.200 51.200 50.706 0.494 18547 3122 1 4 . 1 1 31 31 ALA CB C 21 22.500 22.500 23.036 -0.536 18547 3123 1 4 . 1 1 31 31 ALA H H 21 8.660 8.660 8.614 0.046 18547 3124 1 4 . 1 1 32 32 ARG N N 22 120.400 120.400 117.343 3.057 18547 3125 1 4 . 1 1 32 32 ARG HA H 22 4.950 4.950 4.769 0.181 18547 3126 1 4 . 1 1 32 32 ARG C C 22 173.400 173.400 174.720 -1.320 18547 3127 1 4 . 1 1 32 32 ARG CA C 22 55.500 55.500 54.721 0.779 18547 3128 1 4 . 1 1 32 32 ARG CB C 22 32.500 32.500 34.862 -2.362 18547 3129 1 4 . 1 1 32 32 ARG H H 22 8.090 8.090 8.169 -0.079 18547 3130 1 4 . 1 1 33 33 SER N N 23 113.800 113.800 114.056 -0.256 18547 3131 1 4 . 1 1 33 33 SER HA H 23 5.560 5.560 5.532 0.028 18547 3132 1 4 . 1 1 33 33 SER C C 23 174.500 174.500 173.665 0.835 18547 3133 1 4 . 1 1 33 33 SER CA C 23 55.600 55.600 57.169 -1.569 18547 3134 1 4 . 1 1 33 33 SER CB C 23 67.300 67.300 66.276 1.024 18547 3135 1 4 . 1 1 33 33 SER H H 23 8.080 8.080 8.549 -0.469 18547 3136 1 4 . 1 1 34 34 ILE N N 24 112.700 112.700 120.492 -7.792 18547 3137 1 4 . 1 1 34 34 ILE HA H 24 4.950 4.950 4.568 0.382 18547 3138 1 4 . 1 1 34 34 ILE C C 24 175.400 175.400 174.465 0.935 18547 3139 1 4 . 1 1 34 34 ILE CA C 24 58.300 58.300 60.657 -2.357 18547 3140 1 4 . 1 1 34 34 ILE CB C 24 39.900 39.900 38.784 1.116 18547 3141 1 4 . 1 1 34 34 ILE H H 24 7.980 7.980 8.645 -0.665 18547 3142 1 4 . 1 1 35 35 ILE N N 25 121.800 121.800 127.219 -5.419 18547 3143 1 4 . 1 1 35 35 ILE HA H 25 4.960 4.960 5.099 -0.139 18547 3144 1 4 . 1 1 35 35 ILE C C 25 174.800 174.800 175.182 -0.382 18547 3145 1 4 . 1 1 35 35 ILE CA C 25 60.700 60.700 59.333 1.367 18547 3146 1 4 . 1 1 35 35 ILE CB C 25 41.300 41.300 39.327 1.973 18547 3147 1 4 . 1 1 35 35 ILE H H 25 8.960 8.960 8.260 0.700 18547 3148 1 4 . 1 1 36 36 ILE N N 26 127.900 127.900 128.644 -0.744 18547 3149 1 4 . 1 1 36 36 ILE HA H 26 4.770 4.770 4.672 0.098 18547 3150 1 4 . 1 1 36 36 ILE C C 26 175.000 175.000 175.134 -0.134 18547 3151 1 4 . 1 1 36 36 ILE CA C 26 59.900 59.900 60.346 -0.446 18547 3152 1 4 . 1 1 36 36 ILE CB C 26 42.100 42.100 38.297 3.803 18547 3153 1 4 . 1 1 36 36 ILE H H 26 9.210 9.210 8.442 0.768 18547 3154 1 4 . 1 1 37 37 ARG N N 27 124.100 124.100 127.709 -3.609 18547 3155 1 4 . 1 1 37 37 ARG HA H 27 5.850 5.850 5.151 0.699 18547 3156 1 4 . 1 1 37 37 ARG C C 27 176.200 176.200 175.120 1.080 18547 3157 1 4 . 1 1 37 37 ARG CA C 27 54.100 54.100 55.157 -1.057 18547 3158 1 4 . 1 1 37 37 ARG CB C 27 32.900 32.900 33.050 -0.150 18547 3159 1 4 . 1 1 37 37 ARG H H 27 8.670 8.670 8.509 0.161 18547 3160 1 4 . 1 1 38 38 GLN N N 28 122.900 122.900 118.737 4.163 18547 3161 1 4 . 1 1 38 38 GLN HA H 28 4.710 4.710 4.822 -0.112 18547 3162 1 4 . 1 1 38 38 GLN C C 28 173.200 173.200 173.899 -0.699 18547 3163 1 4 . 1 1 38 38 GLN CA C 28 54.400 54.400 55.634 -1.234 18547 3164 1 4 . 1 1 38 38 GLN CB C 28 35.200 35.200 32.344 2.856 18547 3165 1 4 . 1 1 38 38 GLN H H 28 9.310 9.310 8.290 1.020 18547 3166 1 4 . 1 1 39 39 ARG N N 29 121.400 121.400 127.348 -5.948 18547 3167 1 4 . 1 1 39 39 ARG HA H 29 5.260 5.260 4.721 0.539 18547 3168 1 4 . 1 1 39 39 ARG C C 29 175.400 175.400 175.414 -0.014 18547 3169 1 4 . 1 1 39 39 ARG CA C 29 55.100 55.100 54.214 0.886 18547 3170 1 4 . 1 1 39 39 ARG CB C 29 32.500 32.500 30.096 2.404 18547 3171 1 4 . 1 1 39 39 ARG H H 29 8.510 8.510 8.082 0.428 18547 3172 1 4 . 1 1 40 40 TYR N N 30 120.000 120.000 123.902 -3.902 18547 3173 1 4 . 1 1 40 40 TYR HA H 30 4.600 4.600 4.500 0.100 18547 3174 1 4 . 1 1 40 40 TYR C C 30 175.600 175.600 175.770 -0.170 18547 3175 1 4 . 1 1 40 40 TYR CA C 30 56.900 56.900 58.127 -1.228 18547 3176 1 4 . 1 1 40 40 TYR CB C 30 42.700 42.700 39.970 2.730 18547 3177 1 4 . 1 1 40 40 TYR H H 30 9.140 9.140 8.734 0.406 18547 3178 1 4 . 1 1 41 41 ASP N N 31 126.400 126.400 123.546 2.854 18547 3179 1 4 . 1 1 41 41 ASP HA H 31 4.880 4.880 5.229 -0.349 18547 3180 1 4 . 1 1 41 41 ASP C C 31 174.500 174.500 174.781 -0.281 18547 3181 1 4 . 1 1 41 41 ASP CA C 31 53.200 53.200 53.650 -0.450 18547 3182 1 4 . 1 1 41 41 ASP CB C 31 39.200 39.200 40.581 -1.381 18547 3183 1 4 . 1 1 41 41 ASP H H 31 9.140 9.140 8.973 0.167 18547 3184 1 4 . 1 1 42 42 ALA N N 32 123.100 123.100 126.023 -2.923 18547 3185 1 4 . 1 1 42 42 ALA HA H 32 4.690 4.690 4.639 0.051 18547 3186 1 4 . 1 1 42 42 ALA CA C 32 50.100 50.100 51.262 -1.162 18547 3187 1 4 . 1 1 42 42 ALA CB C 32 20.200 20.200 20.681 -0.481 18547 3188 1 4 . 1 1 42 42 ALA H H 32 7.770 7.770 8.037 -0.267 18547 3189 1 4 . 1 1 43 43 PRO HA H 33 4.650 4.650 4.465 0.185 18547 3190 1 4 . 1 1 43 43 PRO C C 33 178.100 178.100 177.351 0.749 18547 3191 1 4 . 1 1 43 43 PRO CA C 33 62.000 62.000 63.061 -1.061 18547 3192 1 4 . 1 1 43 43 PRO CB C 33 33.000 33.000 32.157 0.843 18547 3193 1 4 . 1 1 44 44 VAL N N 34 123.500 123.500 124.444 -0.944 18547 3194 1 4 . 1 1 44 44 VAL HA H 34 3.960 3.960 3.566 0.394 18547 3195 1 4 . 1 1 44 44 VAL C C 34 177.500 177.500 177.480 0.020 18547 3196 1 4 . 1 1 44 44 VAL CA C 34 66.000 66.000 66.995 -0.995 18547 3197 1 4 . 1 1 44 44 VAL CB C 34 32.000 32.000 31.510 0.490 18547 3198 1 4 . 1 1 44 44 VAL H H 34 8.570 8.570 8.501 0.069 18547 3199 1 4 . 1 1 45 45 ASP N N 35 116.200 116.200 118.607 -2.407 18547 3200 1 4 . 1 1 45 45 ASP HA H 35 4.290 4.290 4.315 -0.025 18547 3201 1 4 . 1 1 45 45 ASP C C 35 178.800 178.800 178.748 0.052 18547 3202 1 4 . 1 1 45 45 ASP CA C 35 57.500 57.500 57.770 -0.270 18547 3203 1 4 . 1 1 45 45 ASP CB C 35 40.400 40.400 40.395 0.005 18547 3204 1 4 . 1 1 45 45 ASP H H 35 8.520 8.520 8.805 -0.285 18547 3205 1 4 . 1 1 46 46 GLU N N 36 120.100 120.100 118.979 1.121 18547 3206 1 4 . 1 1 46 46 GLU HA H 36 4.260 4.260 4.222 0.038 18547 3207 1 4 . 1 1 46 46 GLU C C 36 179.000 179.000 179.054 -0.054 18547 3208 1 4 . 1 1 46 46 GLU CA C 36 58.400 58.400 58.298 0.102 18547 3209 1 4 . 1 1 46 46 GLU CB C 36 29.700 29.700 29.842 -0.142 18547 3210 1 4 . 1 1 46 46 GLU H H 36 7.360 7.360 7.650 -0.290 18547 3211 1 4 . 1 1 47 47 VAL N N 37 121.800 121.800 120.734 1.066 18547 3212 1 4 . 1 1 47 47 VAL HA H 37 3.370 3.370 3.630 -0.260 18547 3213 1 4 . 1 1 47 47 VAL C C 37 177.100 177.100 177.380 -0.280 18547 3214 1 4 . 1 1 47 47 VAL CA C 37 66.900 66.900 66.968 -0.068 18547 3215 1 4 . 1 1 47 47 VAL CB C 37 31.000 31.000 31.646 -0.646 18547 3216 1 4 . 1 1 47 47 VAL H H 37 7.680 7.680 7.998 -0.318 18547 3217 1 4 . 1 1 48 48 TRP N N 38 119.800 119.800 121.212 -1.412 18547 3218 1 4 . 1 1 48 48 TRP HA H 38 3.990 3.990 4.331 -0.341 18547 3219 1 4 . 1 1 48 48 TRP C C 38 180.700 180.700 177.915 2.785 18547 3220 1 4 . 1 1 48 48 TRP CA C 38 60.900 60.900 60.036 0.864 18547 3221 1 4 . 1 1 48 48 TRP CB C 38 29.300 29.300 29.605 -0.305 18547 3222 1 4 . 1 1 48 48 TRP H H 38 9.160 9.160 8.812 0.348 18547 3223 1 4 . 1 1 49 49 SER N N 39 116.100 116.100 116.123 -0.023 18547 3224 1 4 . 1 1 49 49 SER HA H 39 4.010 4.010 4.152 -0.142 18547 3225 1 4 . 1 1 49 49 SER C C 39 175.700 175.700 176.400 -0.700 18547 3226 1 4 . 1 1 49 49 SER CA C 39 62.700 62.700 61.987 0.713 18547 3227 1 4 . 1 1 49 49 SER CB C 39 62.700 62.700 63.000 -0.300 18547 3228 1 4 . 1 1 49 49 SER H H 39 8.230 8.230 7.845 0.385 18547 3229 1 4 . 1 1 50 50 ALA N N 40 122.300 122.300 122.823 -0.523 18547 3230 1 4 . 1 1 50 50 ALA HA H 40 4.020 4.020 4.375 -0.355 18547 3231 1 4 . 1 1 50 50 ALA C C 40 176.700 176.700 179.811 -3.111 18547 3232 1 4 . 1 1 50 50 ALA CA C 40 55.200 55.200 54.987 0.213 18547 3233 1 4 . 1 1 50 50 ALA CB C 40 18.800 18.800 18.315 0.485 18547 3234 1 4 . 1 1 50 50 ALA H H 40 7.770 7.770 7.768 0.002 18547 3235 1 4 . 1 1 51 51 CYS N N 41 109.400 109.400 115.722 -6.322 18547 3236 1 4 . 1 1 51 51 CYS HA H 41 4.510 4.510 4.731 -0.221 18547 3237 1 4 . 1 1 51 51 CYS C C 41 172.200 172.200 176.104 -3.904 18547 3238 1 4 . 1 1 51 51 CYS CA C 41 61.100 61.100 61.206 -0.106 18547 3239 1 4 . 1 1 51 51 CYS CB C 41 29.800 29.800 27.038 2.762 18547 3240 1 4 . 1 1 51 51 CYS H H 41 7.080 7.080 8.087 -1.007 18547 3241 1 4 . 1 1 52 52 THR N N 42 100.100 100.100 112.218 -12.118 18547 3242 1 4 . 1 1 52 52 THR HA H 42 4.240 4.240 4.203 0.037 18547 3243 1 4 . 1 1 52 52 THR C C 42 173.500 173.500 174.560 -1.060 18547 3244 1 4 . 1 1 52 52 THR CA C 42 62.200 62.200 62.588 -0.388 18547 3245 1 4 . 1 1 52 52 THR CB C 42 71.800 71.800 69.942 1.858 18547 3246 1 4 . 1 1 52 52 THR H H 42 6.800 6.800 7.400 -0.600 18547 3247 1 4 . 1 1 53 53 ASP N N 43 123.000 123.000 124.565 -1.565 18547 3248 1 4 . 1 1 53 53 ASP HA H 43 5.080 5.080 4.915 0.166 18547 3249 1 4 . 1 1 53 53 ASP CA C 43 50.600 50.600 52.074 -1.474 18547 3250 1 4 . 1 1 53 53 ASP CB C 43 42.000 42.000 43.144 -1.144 18547 3251 1 4 . 1 1 53 53 ASP H H 43 8.040 8.040 7.721 0.319 18547 3252 1 4 . 1 1 54 54 PRO HA H 44 3.960 3.960 4.094 -0.134 18547 3253 1 4 . 1 1 54 54 PRO C C 44 176.300 176.300 178.166 -1.866 18547 3254 1 4 . 1 1 54 54 PRO CA C 44 65.900 65.900 65.478 0.422 18547 3255 1 4 . 1 1 54 54 PRO CB C 44 32.700 32.700 32.068 0.632 18547 3256 1 4 . 1 1 55 55 ASN N N 45 112.700 112.700 114.824 -2.124 18547 3257 1 4 . 1 1 55 55 ASN HA H 45 4.520 4.520 4.412 0.108 18547 3258 1 4 . 1 1 55 55 ASN C C 45 175.900 175.900 176.872 -0.972 18547 3259 1 4 . 1 1 55 55 ASN CA C 45 55.100 55.100 55.701 -0.601 18547 3260 1 4 . 1 1 55 55 ASN CB C 45 38.900 38.900 38.315 0.585 18547 3261 1 4 . 1 1 55 55 ASN H H 45 8.160 8.160 8.293 -0.133 18547 3262 1 4 . 1 1 56 56 ARG N N 46 117.700 117.700 117.745 -0.045 18547 3263 1 4 . 1 1 56 56 ARG HA H 46 4.250 4.250 4.347 -0.097 18547 3264 1 4 . 1 1 56 56 ARG C C 46 177.100 177.100 178.571 -1.471 18547 3265 1 4 . 1 1 56 56 ARG CA C 46 58.400 58.400 57.995 0.405 18547 3266 1 4 . 1 1 56 56 ARG CB C 46 31.800 31.800 30.568 1.232 18547 3267 1 4 . 1 1 56 56 ARG H H 46 7.940 7.940 7.864 0.076 18547 3268 1 4 . 1 1 57 57 ILE N N 47 120.100 120.100 119.961 0.139 18547 3269 1 4 . 1 1 57 57 ILE HA H 47 3.420 3.420 3.955 -0.535 18547 3270 1 4 . 1 1 57 57 ILE C C 47 177.400 177.400 176.844 0.556 18547 3271 1 4 . 1 1 57 57 ILE CA C 47 64.400 64.400 64.465 -0.065 18547 3272 1 4 . 1 1 57 57 ILE CB C 47 39.500 39.500 38.340 1.160 18547 3273 1 4 . 1 1 57 57 ILE H H 47 8.610 8.610 7.990 0.620 18547 3274 1 4 . 1 1 58 58 ASN N N 48 112.100 112.100 115.543 -3.443 18547 3275 1 4 . 1 1 58 58 ASN HA H 48 3.780 3.780 4.526 -0.746 18547 3276 1 4 . 1 1 58 58 ASN C C 48 175.300 175.300 175.998 -0.698 18547 3277 1 4 . 1 1 58 58 ASN CA C 48 54.400 54.400 54.086 0.314 18547 3278 1 4 . 1 1 58 58 ASN CB C 48 38.200 38.200 38.193 0.007 18547 3279 1 4 . 1 1 58 58 ASN H H 48 7.440 7.440 7.921 -0.481 18547 3280 1 4 . 1 1 59 59 ARG N N 49 115.600 115.600 117.737 -2.137 18547 3281 1 4 . 1 1 59 59 ARG HA H 49 4.120 4.120 4.159 -0.039 18547 3282 1 4 . 1 1 59 59 ARG C C 49 174.700 174.700 176.108 -1.408 18547 3283 1 4 . 1 1 59 59 ARG CA C 49 55.900 55.900 56.485 -0.585 18547 3284 1 4 . 1 1 59 59 ARG CB C 49 29.900 29.900 29.506 0.394 18547 3285 1 4 . 1 1 59 59 ARG H H 49 7.370 7.370 7.385 -0.015 18547 3286 1 4 . 1 1 60 60 TRP N N 50 112.500 112.500 115.111 -2.611 18547 3287 1 4 . 1 1 60 60 TRP HA H 50 4.860 4.860 4.809 0.051 18547 3288 1 4 . 1 1 60 60 TRP C C 50 173.400 173.400 173.998 -0.598 18547 3289 1 4 . 1 1 60 60 TRP CA C 50 55.800 55.800 56.582 -0.782 18547 3290 1 4 . 1 1 60 60 TRP CB C 50 31.500 31.500 31.233 0.267 18547 3291 1 4 . 1 1 60 60 TRP H H 50 6.860 6.860 7.353 -0.493 18547 3292 1 4 . 1 1 61 61 PHE N N 51 126.400 126.400 119.022 7.378 18547 3293 1 4 . 1 1 61 61 PHE HA H 51 4.690 4.690 4.637 0.053 18547 3294 1 4 . 1 1 61 61 PHE C C 51 173.000 173.000 173.854 -0.854 18547 3295 1 4 . 1 1 61 61 PHE CA C 51 55.000 55.000 55.905 -0.905 18547 3296 1 4 . 1 1 61 61 PHE CB C 51 37.600 37.600 41.483 -3.883 18547 3297 1 4 . 1 1 61 61 PHE H H 51 7.830 7.830 7.573 0.257 18547 3298 1 4 . 1 1 62 62 ILE N N 52 126.800 126.800 120.782 6.018 18547 3299 1 4 . 1 1 62 62 ILE HA H 52 3.760 3.760 3.994 -0.234 18547 3300 1 4 . 1 1 62 62 ILE C C 52 172.600 172.600 174.946 -2.346 18547 3301 1 4 . 1 1 62 62 ILE CA C 52 59.900 59.900 59.781 0.119 18547 3302 1 4 . 1 1 62 62 ILE CB C 52 41.600 41.600 38.738 2.862 18547 3303 1 4 . 1 1 62 62 ILE H H 52 6.010 6.010 7.337 -1.327 18547 3304 1 4 . 1 1 63 63 GLU N N 53 124.400 124.400 125.864 -1.464 18547 3305 1 4 . 1 1 63 63 GLU HA H 53 3.850 3.850 4.201 -0.351 18547 3306 1 4 . 1 1 63 63 GLU CA C 53 54.800 54.800 54.254 0.546 18547 3307 1 4 . 1 1 63 63 GLU CB C 53 31.700 31.700 30.293 1.407 18547 3308 1 4 . 1 1 63 63 GLU H H 53 8.280 8.280 8.404 -0.124 18547 3309 1 4 . 1 1 64 64 PRO HA H 54 4.920 4.920 4.719 0.201 18547 3310 1 4 . 1 1 64 64 PRO C C 54 175.500 175.500 176.145 -0.645 18547 3311 1 4 . 1 1 64 64 PRO CA C 54 62.000 62.000 62.270 -0.270 18547 3312 1 4 . 1 1 64 64 PRO CB C 54 31.800 31.800 33.087 -1.287 18547 3313 1 4 . 1 1 65 65 LYS N N 55 120.200 120.200 122.812 -2.612 18547 3314 1 4 . 1 1 65 65 LYS HA H 55 4.780 4.780 4.579 0.201 18547 3315 1 4 . 1 1 65 65 LYS C C 55 176.000 176.000 175.004 0.996 18547 3316 1 4 . 1 1 65 65 LYS CA C 55 54.200 54.200 55.287 -1.087 18547 3317 1 4 . 1 1 65 65 LYS CB C 55 35.300 35.300 35.617 -0.317 18547 3318 1 4 . 1 1 65 65 LYS H H 55 8.370 8.370 8.828 -0.458 18547 3319 1 4 . 1 1 66 66 GLY N N 56 109.400 109.400 113.805 -4.405 18547 3320 1 4 . 1 1 66 66 GLY C C 56 171.400 171.400 173.449 -2.049 18547 3321 1 4 . 1 1 66 66 GLY CA C 56 45.400 45.400 45.252 0.148 18547 3322 1 4 . 1 1 66 66 GLY H H 56 8.640 8.640 7.948 0.692 18547 3323 1 4 . 1 1 67 67 ASP N N 57 123.800 123.800 121.110 2.690 18547 3324 1 4 . 1 1 67 67 ASP HA H 57 4.900 4.900 4.545 0.355 18547 3325 1 4 . 1 1 67 67 ASP C C 57 175.600 175.600 177.596 -1.996 18547 3326 1 4 . 1 1 67 67 ASP CA C 57 52.400 52.400 55.135 -2.735 18547 3327 1 4 . 1 1 67 67 ASP CB C 57 40.700 40.700 41.409 -0.709 18547 3328 1 4 . 1 1 67 67 ASP H H 57 7.790 7.790 8.407 -0.617 18547 3329 1 4 . 1 1 68 68 LEU N N 58 122.800 122.800 116.706 6.094 18547 3330 1 4 . 1 1 68 68 LEU HA H 58 4.270 4.270 3.985 0.285 18547 3331 1 4 . 1 1 68 68 LEU C C 58 173.700 173.700 176.491 -2.791 18547 3332 1 4 . 1 1 68 68 LEU CA C 58 54.500 54.500 56.121 -1.621 18547 3333 1 4 . 1 1 68 68 LEU CB C 58 38.300 38.300 40.479 -2.179 18547 3334 1 4 . 1 1 68 68 LEU H H 58 8.330 8.330 8.008 0.322 18547 3335 1 4 . 1 1 69 69 ARG N N 59 121.800 121.800 117.888 3.912 18547 3336 1 4 . 1 1 69 69 ARG HA H 59 4.710 4.710 4.653 0.057 18547 3337 1 4 . 1 1 69 69 ARG CA C 59 54.100 54.100 53.407 0.693 18547 3338 1 4 . 1 1 69 69 ARG CB C 59 31.800 31.800 32.039 -0.239 18547 3339 1 4 . 1 1 69 69 ARG H H 59 8.120 8.120 7.645 0.475 18547 3340 1 4 . 1 1 70 70 GLU N N 60 122.800 122.800 120.355 2.445 18547 3341 1 4 . 1 1 70 70 GLU HA H 60 3.870 3.870 3.950 -0.080 18547 3342 1 4 . 1 1 70 70 GLU C C 60 177.200 177.200 177.502 -0.302 18547 3343 1 4 . 1 1 70 70 GLU CA C 60 60.000 60.000 58.189 1.811 18547 3344 1 4 . 1 1 70 70 GLU CB C 60 30.200 30.200 29.253 0.947 18547 3345 1 4 . 1 1 70 70 GLU H H 60 9.130 9.130 8.730 0.400 18547 3346 1 4 . 1 1 71 71 GLY N N 61 117.100 117.100 113.409 3.691 18547 3347 1 4 . 1 1 71 71 GLY C C 61 174.900 174.900 174.311 0.589 18547 3348 1 4 . 1 1 71 71 GLY CA C 61 45.600 45.600 44.906 0.694 18547 3349 1 4 . 1 1 71 71 GLY H H 61 8.710 8.710 8.520 0.190 18547 3350 1 4 . 1 1 72 72 GLY N N 62 110.300 110.300 108.031 2.269 18547 3351 1 4 . 1 1 72 72 GLY C C 62 174.200 174.200 172.540 1.660 18547 3352 1 4 . 1 1 72 72 GLY CA C 62 43.400 43.400 43.319 0.081 18547 3353 1 4 . 1 1 72 72 GLY H H 62 8.760 8.760 8.104 0.656 18547 3354 1 4 . 1 1 73 73 ASN N N 63 117.800 117.800 115.910 1.890 18547 3355 1 4 . 1 1 73 73 ASN HA H 63 5.490 5.490 5.640 -0.150 18547 3356 1 4 . 1 1 73 73 ASN C C 63 171.400 171.400 174.262 -2.862 18547 3357 1 4 . 1 1 73 73 ASN CA C 63 52.900 52.900 52.126 0.775 18547 3358 1 4 . 1 1 73 73 ASN CB C 63 41.500 41.500 42.103 -0.603 18547 3359 1 4 . 1 1 73 73 ASN H H 63 8.890 8.890 8.329 0.561 18547 3360 1 4 . 1 1 74 74 PHE N N 64 113.500 113.500 115.061 -1.561 18547 3361 1 4 . 1 1 74 74 PHE HA H 64 5.500 5.500 4.923 0.577 18547 3362 1 4 . 1 1 74 74 PHE C C 64 173.200 173.200 172.702 0.498 18547 3363 1 4 . 1 1 74 74 PHE CA C 64 55.900 55.900 56.169 -0.269 18547 3364 1 4 . 1 1 74 74 PHE CB C 64 44.600 44.600 42.626 1.974 18547 3365 1 4 . 1 1 74 74 PHE H H 64 8.700 8.700 8.629 0.071 18547 3366 1 4 . 1 1 75 75 ALA N N 65 122.200 122.200 123.572 -1.372 18547 3367 1 4 . 1 1 75 75 ALA HA H 65 4.350 4.350 4.497 -0.147 18547 3368 1 4 . 1 1 75 75 ALA C C 65 176.000 176.000 175.110 0.890 18547 3369 1 4 . 1 1 75 75 ALA CA C 65 52.500 52.500 51.400 1.100 18547 3370 1 4 . 1 1 75 75 ALA CB C 65 21.800 21.800 21.119 0.680 18547 3371 1 4 . 1 1 75 75 ALA H H 65 8.690 8.690 8.694 -0.004 18547 3372 1 4 . 1 1 76 76 LEU N N 66 123.800 123.800 125.180 -1.380 18547 3373 1 4 . 1 1 76 76 LEU HA H 66 4.520 4.520 4.532 -0.012 18547 3374 1 4 . 1 1 76 76 LEU C C 66 175.800 175.800 176.716 -0.916 18547 3375 1 4 . 1 1 76 76 LEU CA C 66 52.500 52.500 53.517 -1.017 18547 3376 1 4 . 1 1 76 76 LEU CB C 66 42.400 42.400 43.206 -0.806 18547 3377 1 4 . 1 1 76 76 LEU H H 66 8.350 8.350 8.674 -0.324 18547 3378 1 4 . 1 1 77 77 GLN N N 67 127.400 127.400 125.547 1.853 18547 3379 1 4 . 1 1 77 77 GLN HA H 67 3.900 3.900 4.091 -0.191 18547 3380 1 4 . 1 1 77 77 GLN C C 67 176.600 176.600 176.585 0.015 18547 3381 1 4 . 1 1 77 77 GLN CA C 67 57.800 57.800 56.562 1.238 18547 3382 1 4 . 1 1 77 77 GLN CB C 67 28.000 28.000 28.363 -0.363 18547 3383 1 4 . 1 1 77 77 GLN H H 67 8.590 8.590 8.064 0.526 18547 3384 1 4 . 1 1 78 78 GLY N N 68 114.800 114.800 116.852 -2.052 18547 3385 1 4 . 1 1 78 78 GLY C C 68 173.700 173.700 173.309 0.391 18547 3386 1 4 . 1 1 78 78 GLY CA C 68 45.700 45.700 45.358 0.343 18547 3387 1 4 . 1 1 78 78 GLY H H 68 8.920 8.920 8.668 0.252 18547 3388 1 4 . 1 1 79 79 ASN N N 69 124.000 124.000 117.007 6.993 18547 3389 1 4 . 1 1 79 79 ASN HA H 69 4.600 4.600 4.850 -0.250 18547 3390 1 4 . 1 1 79 79 ASN C C 69 173.300 173.300 173.001 0.299 18547 3391 1 4 . 1 1 79 79 ASN CA C 69 52.900 52.900 53.389 -0.489 18547 3392 1 4 . 1 1 79 79 ASN CB C 69 41.600 41.600 40.099 1.501 18547 3393 1 4 . 1 1 79 79 ASN H H 69 8.360 8.360 7.767 0.593 18547 3394 1 4 . 1 1 80 80 ALA N N 70 127.200 127.200 120.538 6.662 18547 3395 1 4 . 1 1 80 80 ALA HA H 70 4.170 4.170 4.557 -0.387 18547 3396 1 4 . 1 1 80 80 ALA C C 70 174.500 174.500 174.816 -0.316 18547 3397 1 4 . 1 1 80 80 ALA CA C 70 52.500 52.500 51.058 1.442 18547 3398 1 4 . 1 1 80 80 ALA CB C 70 18.600 18.600 21.446 -2.846 18547 3399 1 4 . 1 1 80 80 ALA H H 70 8.930 8.930 7.871 1.059 18547 3400 1 4 . 1 1 81 81 SER N N 71 111.000 111.000 114.325 -3.325 18547 3401 1 4 . 1 1 81 81 SER HA H 71 4.170 4.170 5.056 -0.886 18547 3402 1 4 . 1 1 81 81 SER C C 71 170.900 170.900 173.656 -2.756 18547 3403 1 4 . 1 1 81 81 SER CA C 71 56.300 56.300 56.413 -0.113 18547 3404 1 4 . 1 1 81 81 SER CB C 71 66.600 66.600 66.344 0.256 18547 3405 1 4 . 1 1 81 81 SER H H 71 7.980 7.980 8.076 -0.096 18547 3406 1 4 . 1 1 82 82 GLY N N 72 102.700 102.700 109.979 -7.279 18547 3407 1 4 . 1 1 82 82 GLY C C 72 171.700 171.700 171.569 0.131 18547 3408 1 4 . 1 1 82 82 GLY CA C 72 46.200 46.200 45.436 0.764 18547 3409 1 4 . 1 1 82 82 GLY H H 72 6.940 6.940 7.896 -0.956 18547 3410 1 4 . 1 1 83 83 ASP N N 73 117.900 117.900 119.176 -1.276 18547 3411 1 4 . 1 1 83 83 ASP HA H 73 5.430 5.430 5.532 -0.102 18547 3412 1 4 . 1 1 83 83 ASP C C 73 176.100 176.100 175.708 0.392 18547 3413 1 4 . 1 1 83 83 ASP CA C 73 52.700 52.700 53.210 -0.510 18547 3414 1 4 . 1 1 83 83 ASP CB C 73 43.600 43.600 45.249 -1.649 18547 3415 1 4 . 1 1 83 83 ASP H H 73 8.770 8.770 8.142 0.628 18547 3416 1 4 . 1 1 84 84 ILE N N 74 120.200 120.200 120.912 -0.712 18547 3417 1 4 . 1 1 84 84 ILE HA H 74 4.530 4.530 4.373 0.157 18547 3418 1 4 . 1 1 84 84 ILE C C 74 175.600 175.600 176.542 -0.942 18547 3419 1 4 . 1 1 84 84 ILE CA C 74 61.700 61.700 60.285 1.415 18547 3420 1 4 . 1 1 84 84 ILE CB C 74 36.700 36.700 37.609 -0.909 18547 3421 1 4 . 1 1 84 84 ILE H H 74 8.060 8.060 8.553 -0.493 18547 3422 1 4 . 1 1 85 85 LEU N N 75 130.400 130.400 129.867 0.533 18547 3423 1 4 . 1 1 85 85 LEU HA H 75 4.330 4.330 4.256 0.074 18547 3424 1 4 . 1 1 85 85 LEU C C 75 178.100 178.100 176.977 1.123 18547 3425 1 4 . 1 1 85 85 LEU CA C 75 57.000 57.000 57.309 -0.309 18547 3426 1 4 . 1 1 85 85 LEU CB C 75 42.000 42.000 42.321 -0.321 18547 3427 1 4 . 1 1 85 85 LEU H H 75 8.710 8.710 8.564 0.146 18547 3428 1 4 . 1 1 86 86 ARG N N 76 115.700 115.700 113.896 1.804 18547 3429 1 4 . 1 1 86 86 ARG HA H 76 4.840 4.840 4.502 0.338 18547 3430 1 4 . 1 1 86 86 ARG C C 76 174.900 174.900 172.956 1.944 18547 3431 1 4 . 1 1 86 86 ARG CA C 76 54.700 54.700 54.644 0.056 18547 3432 1 4 . 1 1 86 86 ARG CB C 76 33.900 33.900 31.957 1.943 18547 3433 1 4 . 1 1 86 86 ARG H H 76 8.130 8.130 8.096 0.034 18547 3434 1 4 . 1 1 87 87 CYS N N 77 127.100 127.100 118.845 8.255 18547 3435 1 4 . 1 1 87 87 CYS HA H 77 5.130 5.130 5.330 -0.200 18547 3436 1 4 . 1 1 87 87 CYS C C 77 171.700 171.700 173.682 -1.982 18547 3437 1 4 . 1 1 87 87 CYS CA C 77 54.600 54.600 57.249 -2.649 18547 3438 1 4 . 1 1 87 87 CYS CB C 77 33.000 33.000 30.363 2.637 18547 3439 1 4 . 1 1 87 87 CYS H H 77 10.630 10.630 8.729 1.901 18547 3440 1 4 . 1 1 88 88 GLU N N 78 128.200 128.200 125.132 3.068 18547 3441 1 4 . 1 1 88 88 GLU HA H 78 4.950 4.950 4.856 0.094 18547 3442 1 4 . 1 1 88 88 GLU CA C 78 52.100 52.100 52.717 -0.617 18547 3443 1 4 . 1 1 88 88 GLU CB C 78 30.500 30.500 32.461 -1.961 18547 3444 1 4 . 1 1 88 88 GLU H H 78 9.460 9.460 9.110 0.350 18547 3445 1 4 . 1 1 89 89 PRO HA H 79 2.780 2.780 3.461 -0.681 18547 3446 1 4 . 1 1 89 89 PRO CA C 79 60.500 60.500 61.249 -0.749 18547 3447 1 4 . 1 1 89 89 PRO CB C 79 31.600 31.600 31.053 0.547 18547 3448 1 4 . 1 1 90 90 PRO HA H 80 2.250 2.250 3.084 -0.834 18547 3449 1 4 . 1 1 90 90 PRO C C 80 171.400 171.400 176.497 -5.097 18547 3450 1 4 . 1 1 90 90 PRO CA C 80 63.700 63.700 61.437 2.263 18547 3451 1 4 . 1 1 90 90 PRO CB C 80 30.500 30.500 31.849 -1.349 18547 3452 1 4 . 1 1 91 91 ARG N N 81 113.700 113.700 119.386 -5.686 18547 3453 1 4 . 1 1 91 91 ARG HA H 81 4.700 4.700 4.092 0.608 18547 3454 1 4 . 1 1 91 91 ARG C C 81 176.500 176.500 176.725 -0.225 18547 3455 1 4 . 1 1 91 91 ARG CA C 81 57.400 57.400 58.517 -1.117 18547 3456 1 4 . 1 1 91 91 ARG CB C 81 34.200 34.200 30.625 3.575 18547 3457 1 4 . 1 1 91 91 ARG H H 81 7.640 7.640 7.550 0.090 18547 3458 1 4 . 1 1 92 92 ARG N N 82 121.000 121.000 115.171 5.829 18547 3459 1 4 . 1 1 92 92 ARG HA H 82 5.700 5.700 5.460 0.240 18547 3460 1 4 . 1 1 92 92 ARG C C 82 172.700 172.700 174.555 -1.855 18547 3461 1 4 . 1 1 92 92 ARG CA C 82 55.900 55.900 54.659 1.241 18547 3462 1 4 . 1 1 92 92 ARG CB C 82 34.100 34.100 35.128 -1.028 18547 3463 1 4 . 1 1 92 92 ARG H H 82 7.710 7.710 7.717 -0.007 18547 3464 1 4 . 1 1 93 93 LEU N N 83 130.800 130.800 122.723 8.077 18547 3465 1 4 . 1 1 93 93 LEU HA H 83 5.250 5.250 5.021 0.229 18547 3466 1 4 . 1 1 93 93 LEU C C 83 174.000 174.000 174.256 -0.256 18547 3467 1 4 . 1 1 93 93 LEU CA C 83 53.700 53.700 54.593 -0.893 18547 3468 1 4 . 1 1 93 93 LEU CB C 83 47.100 47.100 46.356 0.744 18547 3469 1 4 . 1 1 93 93 LEU H H 83 9.080 9.080 8.804 0.276 18547 3470 1 4 . 1 1 94 94 THR N N 84 124.200 124.200 122.480 1.720 18547 3471 1 4 . 1 1 94 94 THR HA H 84 5.340 5.340 5.313 0.027 18547 3472 1 4 . 1 1 94 94 THR C C 84 174.100 174.100 173.534 0.566 18547 3473 1 4 . 1 1 94 94 THR CA C 84 62.700 62.700 61.899 0.801 18547 3474 1 4 . 1 1 94 94 THR CB C 84 69.600 69.600 70.916 -1.317 18547 3475 1 4 . 1 1 94 94 THR H H 84 9.310 9.310 8.985 0.325 18547 3476 1 4 . 1 1 95 95 ILE N N 85 121.600 121.600 121.673 -0.073 18547 3477 1 4 . 1 1 95 95 ILE HA H 85 5.630 5.630 5.105 0.525 18547 3478 1 4 . 1 1 95 95 ILE C C 85 175.000 175.000 173.702 1.298 18547 3479 1 4 . 1 1 95 95 ILE CA C 85 59.300 59.300 59.233 0.067 18547 3480 1 4 . 1 1 95 95 ILE CB C 85 40.900 40.900 42.499 -1.599 18547 3481 1 4 . 1 1 95 95 ILE H H 85 9.700 9.700 9.248 0.452 18547 3482 1 4 . 1 1 96 96 SER N N 86 117.900 117.900 117.484 0.416 18547 3483 1 4 . 1 1 96 96 SER HA H 86 5.270 5.270 5.488 -0.218 18547 3484 1 4 . 1 1 96 96 SER C C 86 172.200 172.200 174.251 -2.051 18547 3485 1 4 . 1 1 96 96 SER CA C 86 57.600 57.600 57.116 0.484 18547 3486 1 4 . 1 1 96 96 SER CB C 86 65.700 65.700 65.401 0.299 18547 3487 1 4 . 1 1 96 96 SER H H 86 9.290 9.290 8.579 0.711 18547 3488 1 4 . 1 1 97 97 TRP N N 87 120.000 120.000 124.123 -4.123 18547 3489 1 4 . 1 1 97 97 TRP HA H 87 5.130 5.130 5.121 0.009 18547 3490 1 4 . 1 1 97 97 TRP C C 87 175.500 175.500 173.330 2.170 18547 3491 1 4 . 1 1 97 97 TRP CA C 87 57.900 57.900 57.071 0.829 18547 3492 1 4 . 1 1 97 97 TRP CB C 87 31.500 31.500 32.848 -1.348 18547 3493 1 4 . 1 1 97 97 TRP H H 87 7.790 7.790 8.944 -1.154 18547 3494 1 4 . 1 1 98 98 VAL N N 88 132.200 132.200 129.668 2.532 18547 3495 1 4 . 1 1 98 98 VAL HA H 88 4.460 4.460 4.381 0.079 18547 3496 1 4 . 1 1 98 98 VAL C C 88 175.100 175.100 173.938 1.162 18547 3497 1 4 . 1 1 98 98 VAL CA C 88 62.000 62.000 61.176 0.824 18547 3498 1 4 . 1 1 98 98 VAL CB C 88 32.500 32.500 31.960 0.540 18547 3499 1 4 . 1 1 98 98 VAL H H 88 9.620 9.620 8.355 1.265 18547 3500 1 4 . 1 1 99 99 TYR N N 89 130.300 130.300 130.514 -0.214 18547 3501 1 4 . 1 1 99 99 TYR HA H 89 4.440 4.440 4.658 -0.218 18547 3502 1 4 . 1 1 99 99 TYR C C 89 173.900 173.900 175.694 -1.794 18547 3503 1 4 . 1 1 99 99 TYR CA C 89 56.800 56.800 56.586 0.214 18547 3504 1 4 . 1 1 99 99 TYR CB C 89 42.100 42.100 38.436 3.664 18547 3505 1 4 . 1 1 99 99 TYR H H 89 9.670 9.670 8.876 0.794 18547 3506 1 4 . 1 1 100 100 GLU N N 90 127.100 127.100 125.840 1.260 18547 3507 1 4 . 1 1 100 100 GLU HA H 90 3.940 3.940 3.708 0.232 18547 3508 1 4 . 1 1 100 100 GLU C C 90 176.700 176.700 176.175 0.525 18547 3509 1 4 . 1 1 100 100 GLU CA C 90 58.300 58.300 58.188 0.112 18547 3510 1 4 . 1 1 100 100 GLU CB C 90 29.200 29.200 27.882 1.318 18547 3511 1 4 . 1 1 100 100 GLU H H 90 8.080 8.080 8.560 -0.480 18547 3512 1 4 . 1 1 101 101 GLY N N 91 113.100 113.100 109.737 3.363 18547 3513 1 4 . 1 1 101 101 GLY C C 91 173.900 173.900 173.696 0.204 18547 3514 1 4 . 1 1 101 101 GLY CA C 91 45.200 45.200 45.063 0.137 18547 3515 1 4 . 1 1 101 101 GLY H H 91 8.850 8.850 8.059 0.791 18547 3516 1 4 . 1 1 102 102 LYS N N 92 120.100 120.100 121.132 -1.032 18547 3517 1 4 . 1 1 102 102 LYS HA H 92 4.990 4.990 4.989 0.001 18547 3518 1 4 . 1 1 102 102 LYS CA C 92 52.500 52.500 53.003 -0.503 18547 3519 1 4 . 1 1 102 102 LYS CB C 92 33.200 33.200 33.546 -0.346 18547 3520 1 4 . 1 1 102 102 LYS H H 92 8.270 8.270 7.735 0.535 18547 3521 1 4 . 1 1 103 103 PRO HA H 93 4.620 4.620 4.467 0.153 18547 3522 1 4 . 1 1 103 103 PRO C C 93 176.700 176.700 176.289 0.411 18547 3523 1 4 . 1 1 103 103 PRO CA C 93 62.400 62.400 62.441 -0.041 18547 3524 1 4 . 1 1 103 103 PRO CB C 93 31.400 31.400 32.409 -1.009 18547 3525 1 4 . 1 1 104 104 ASP N N 94 124.500 124.500 120.491 4.009 18547 3526 1 4 . 1 1 104 104 ASP HA H 94 4.860 4.860 4.721 0.139 18547 3527 1 4 . 1 1 104 104 ASP C C 94 177.100 177.100 176.792 0.308 18547 3528 1 4 . 1 1 104 104 ASP CA C 94 55.900 55.900 54.845 1.055 18547 3529 1 4 . 1 1 104 104 ASP CB C 94 40.500 40.500 40.989 -0.489 18547 3530 1 4 . 1 1 104 104 ASP H H 94 8.850 8.850 8.598 0.252 18547 3531 1 4 . 1 1 105 105 SER N N 95 118.600 118.600 122.899 -4.299 18547 3532 1 4 . 1 1 105 105 SER HA H 95 5.280 5.280 4.785 0.495 18547 3533 1 4 . 1 1 105 105 SER C C 95 173.700 173.700 173.496 0.204 18547 3534 1 4 . 1 1 105 105 SER CA C 95 57.900 57.900 58.224 -0.324 18547 3535 1 4 . 1 1 105 105 SER CB C 95 65.600 65.600 65.065 0.535 18547 3536 1 4 . 1 1 105 105 SER H H 95 9.260 9.260 8.620 0.640 18547 3537 1 4 . 1 1 106 106 GLU N N 96 124.100 124.100 123.946 0.154 18547 3538 1 4 . 1 1 106 106 GLU HA H 96 5.180 5.180 4.884 0.296 18547 3539 1 4 . 1 1 106 106 GLU C C 96 172.400 172.400 175.400 -3.000 18547 3540 1 4 . 1 1 106 106 GLU CA C 96 57.200 57.200 55.013 2.187 18547 3541 1 4 . 1 1 106 106 GLU CB C 96 36.100 36.100 31.359 4.741 18547 3542 1 4 . 1 1 106 106 GLU H H 96 8.620 8.620 8.584 0.036 18547 3543 1 4 . 1 1 107 107 VAL N N 97 128.100 128.100 127.460 0.640 18547 3544 1 4 . 1 1 107 107 VAL HA H 97 4.770 4.770 4.773 -0.003 18547 3545 1 4 . 1 1 107 107 VAL C C 97 173.100 173.100 174.506 -1.406 18547 3546 1 4 . 1 1 107 107 VAL CA C 97 60.100 60.100 60.736 -0.636 18547 3547 1 4 . 1 1 107 107 VAL CB C 97 34.200 34.200 33.739 0.462 18547 3548 1 4 . 1 1 107 107 VAL H H 97 9.180 9.180 8.910 0.270 18547 3549 1 4 . 1 1 108 108 GLU N N 98 126.200 126.200 123.183 3.017 18547 3550 1 4 . 1 1 108 108 GLU HA H 98 5.580 5.580 5.549 0.031 18547 3551 1 4 . 1 1 108 108 GLU C C 98 172.100 172.100 174.185 -2.085 18547 3552 1 4 . 1 1 108 108 GLU CA C 98 54.200 54.200 53.962 0.238 18547 3553 1 4 . 1 1 108 108 GLU CB C 98 35.200 35.200 34.185 1.015 18547 3554 1 4 . 1 1 108 108 GLU H H 98 9.300 9.300 8.596 0.704 18547 3555 1 4 . 1 1 109 109 LEU N N 99 128.600 128.600 121.336 7.264 18547 3556 1 4 . 1 1 109 109 LEU HA H 99 5.080 5.080 5.183 -0.103 18547 3557 1 4 . 1 1 109 109 LEU C C 99 175.100 175.100 174.222 0.878 18547 3558 1 4 . 1 1 109 109 LEU CA C 99 52.700 52.700 53.975 -1.275 18547 3559 1 4 . 1 1 109 109 LEU CB C 99 46.400 46.400 46.827 -0.427 18547 3560 1 4 . 1 1 109 109 LEU H H 99 9.330 9.330 8.870 0.460 18547 3561 1 4 . 1 1 110 110 ARG N N 100 124.700 124.700 125.579 -0.879 18547 3562 1 4 . 1 1 110 110 ARG HA H 100 5.390 5.390 5.099 0.291 18547 3563 1 4 . 1 1 110 110 ARG C C 100 175.400 175.400 174.225 1.175 18547 3564 1 4 . 1 1 110 110 ARG CA C 100 54.600 54.600 54.353 0.247 18547 3565 1 4 . 1 1 110 110 ARG CB C 100 34.100 34.100 32.604 1.496 18547 3566 1 4 . 1 1 110 110 ARG H H 100 9.430 9.430 8.224 1.206 18547 3567 1 4 . 1 1 111 111 LEU N N 101 122.900 122.900 127.842 -4.942 18547 3568 1 4 . 1 1 111 111 LEU HA H 101 5.620 5.620 5.400 0.220 18547 3569 1 4 . 1 1 111 111 LEU C C 101 177.100 177.100 175.288 1.812 18547 3570 1 4 . 1 1 111 111 LEU CA C 101 53.000 53.000 53.746 -0.746 18547 3571 1 4 . 1 1 111 111 LEU CB C 101 44.900 44.900 45.353 -0.453 18547 3572 1 4 . 1 1 111 111 LEU H H 101 9.120 9.120 8.391 0.729 18547 3573 1 4 . 1 1 112 112 SER N N 102 113.800 113.800 116.737 -2.937 18547 3574 1 4 . 1 1 112 112 SER HA H 102 4.690 4.690 4.582 0.108 18547 3575 1 4 . 1 1 112 112 SER C C 102 172.700 172.700 172.573 0.127 18547 3576 1 4 . 1 1 112 112 SER CA C 102 57.000 57.000 56.688 0.312 18547 3577 1 4 . 1 1 112 112 SER CB C 102 65.700 65.700 66.023 -0.323 18547 3578 1 4 . 1 1 112 112 SER H H 102 8.770 8.770 8.338 0.432 18547 3579 1 4 . 1 1 113 113 GLU N N 103 123.400 123.400 127.157 -3.757 18547 3580 1 4 . 1 1 113 113 GLU HA H 103 4.440 4.440 4.606 -0.166 18547 3581 1 4 . 1 1 113 113 GLU C C 103 176.600 176.600 176.314 0.286 18547 3582 1 4 . 1 1 113 113 GLU CA C 103 57.500 57.500 55.973 1.527 18547 3583 1 4 . 1 1 113 113 GLU CB C 103 30.200 30.200 29.802 0.398 18547 3584 1 4 . 1 1 113 113 GLU H H 103 9.200 9.200 8.714 0.486 18547 3585 1 4 . 1 1 114 114 GLU N N 104 126.500 126.500 126.757 -0.257 18547 3586 1 4 . 1 1 114 114 GLU HA H 104 4.450 4.450 4.478 -0.028 18547 3587 1 4 . 1 1 114 114 GLU C C 104 175.600 175.600 176.452 -0.852 18547 3588 1 4 . 1 1 114 114 GLU CA C 104 55.700 55.700 55.131 0.569 18547 3589 1 4 . 1 1 114 114 GLU CB C 104 31.300 31.300 27.946 3.354 18547 3590 1 4 . 1 1 114 114 GLU H H 104 8.110 8.110 7.973 0.137 18547 3591 1 4 . 1 1 115 115 GLY N N 105 118.000 118.000 114.051 3.949 18547 3592 1 4 . 1 1 115 115 GLY C C 105 174.700 174.700 174.691 0.009 18547 3593 1 4 . 1 1 115 115 GLY CA C 105 47.100 47.100 45.805 1.295 18547 3594 1 4 . 1 1 115 115 GLY H H 105 9.030 9.030 8.049 0.981 18547 3595 1 4 . 1 1 116 116 ASP N N 106 126.200 126.200 127.053 -0.853 18547 3596 1 4 . 1 1 116 116 ASP HA H 106 4.750 4.750 4.677 0.073 18547 3597 1 4 . 1 1 116 116 ASP C C 106 175.600 175.600 175.176 0.424 18547 3598 1 4 . 1 1 116 116 ASP CA C 106 54.300 54.300 54.171 0.129 18547 3599 1 4 . 1 1 116 116 ASP CB C 106 40.800 40.800 41.029 -0.229 18547 3600 1 4 . 1 1 116 116 ASP H H 106 8.800 8.800 8.500 0.300 18547 3601 1 4 . 1 1 117 117 GLY N N 107 109.500 109.500 107.098 2.402 18547 3602 1 4 . 1 1 117 117 GLY C C 107 174.400 174.400 173.239 1.161 18547 3603 1 4 . 1 1 117 117 GLY CA C 107 44.800 44.800 44.379 0.421 18547 3604 1 4 . 1 1 117 117 GLY H H 107 8.040 8.040 7.450 0.590 18547 3605 1 4 . 1 1 118 118 THR N N 108 120.400 120.400 117.451 2.949 18547 3606 1 4 . 1 1 118 118 THR HA H 108 4.970 4.970 4.942 0.028 18547 3607 1 4 . 1 1 118 118 THR C C 108 173.000 173.000 173.197 -0.197 18547 3608 1 4 . 1 1 118 118 THR CA C 108 63.500 63.500 61.937 1.563 18547 3609 1 4 . 1 1 118 118 THR CB C 108 73.000 73.000 71.047 1.953 18547 3610 1 4 . 1 1 118 118 THR H H 108 9.010 9.010 8.591 0.419 18547 3611 1 4 . 1 1 119 119 LEU N N 109 129.000 129.000 131.121 -2.121 18547 3612 1 4 . 1 1 119 119 LEU HA H 109 4.790 4.790 5.024 -0.234 18547 3613 1 4 . 1 1 119 119 LEU C C 109 173.500 173.500 174.618 -1.118 18547 3614 1 4 . 1 1 119 119 LEU CA C 109 54.300 54.300 53.926 0.374 18547 3615 1 4 . 1 1 119 119 LEU CB C 109 42.900 42.900 42.464 0.436 18547 3616 1 4 . 1 1 119 119 LEU H H 109 9.410 9.410 8.579 0.831 18547 3617 1 4 . 1 1 120 120 LEU N N 110 132.200 132.200 130.296 1.904 18547 3618 1 4 . 1 1 120 120 LEU HA H 110 4.820 4.820 5.188 -0.368 18547 3619 1 4 . 1 1 120 120 LEU C C 110 174.100 174.100 175.029 -0.929 18547 3620 1 4 . 1 1 120 120 LEU CA C 110 54.900 54.900 53.908 0.992 18547 3621 1 4 . 1 1 120 120 LEU CB C 110 45.300 45.300 43.997 1.303 18547 3622 1 4 . 1 1 120 120 LEU H H 110 9.430 9.430 8.900 0.530 18547 3623 1 4 . 1 1 121 121 GLU N N 111 125.800 125.800 124.623 1.177 18547 3624 1 4 . 1 1 121 121 GLU HA H 111 5.530 5.530 4.553 0.977 18547 3625 1 4 . 1 1 121 121 GLU C C 111 173.500 173.500 174.749 -1.249 18547 3626 1 4 . 1 1 121 121 GLU CA C 111 54.500 54.500 54.923 -0.423 18547 3627 1 4 . 1 1 121 121 GLU CB C 111 33.100 33.100 31.714 1.386 18547 3628 1 4 . 1 1 121 121 GLU H H 111 8.970 8.970 8.559 0.411 18547 3629 1 4 . 1 1 122 122 LEU N N 112 127.300 127.300 128.041 -0.741 18547 3630 1 4 . 1 1 122 122 LEU HA H 112 5.030 5.030 4.923 0.107 18547 3631 1 4 . 1 1 122 122 LEU C C 112 173.700 173.700 174.855 -1.155 18547 3632 1 4 . 1 1 122 122 LEU CA C 112 53.200 53.200 53.587 -0.387 18547 3633 1 4 . 1 1 122 122 LEU CB C 112 45.400 45.400 44.987 0.413 18547 3634 1 4 . 1 1 122 122 LEU H H 112 8.950 8.950 8.590 0.360 18547 3635 1 4 . 1 1 123 123 GLU N N 113 127.900 127.900 127.089 0.811 18547 3636 1 4 . 1 1 123 123 GLU HA H 113 5.750 5.750 5.137 0.613 18547 3637 1 4 . 1 1 123 123 GLU C C 113 174.200 174.200 174.997 -0.797 18547 3638 1 4 . 1 1 123 123 GLU CA C 113 52.900 52.900 54.452 -1.552 18547 3639 1 4 . 1 1 123 123 GLU CB C 113 33.300 33.300 31.381 1.919 18547 3640 1 4 . 1 1 123 123 GLU H H 113 9.350 9.350 8.796 0.555 18547 3641 1 4 . 1 1 124 124 HIS N N 114 128.200 128.200 125.877 2.323 18547 3642 1 4 . 1 1 124 124 HIS HA H 114 5.240 5.240 4.453 0.787 18547 3643 1 4 . 1 1 124 124 HIS C C 114 173.900 173.900 173.121 0.779 18547 3644 1 4 . 1 1 124 124 HIS CA C 114 54.300 54.300 54.685 -0.385 18547 3645 1 4 . 1 1 124 124 HIS CB C 114 34.600 34.600 31.037 3.563 18547 3646 1 4 . 1 1 124 124 HIS H H 114 8.770 8.770 8.115 0.655 18547 3647 1 4 . 1 1 125 125 ALA N N 115 128.600 128.600 131.404 -2.804 18547 3648 1 4 . 1 1 125 125 ALA HA H 115 5.150 5.150 5.256 -0.106 18547 3649 1 4 . 1 1 125 125 ALA C C 115 175.400 175.400 175.928 -0.528 18547 3650 1 4 . 1 1 125 125 ALA CA C 115 50.100 50.100 50.360 -0.260 18547 3651 1 4 . 1 1 125 125 ALA CB C 115 22.500 22.500 20.264 2.236 18547 3652 1 4 . 1 1 125 125 ALA H H 115 9.360 9.360 8.429 0.931 18547 3653 1 4 . 1 1 126 126 THR N N 116 115.800 115.800 118.209 -2.409 18547 3654 1 4 . 1 1 126 126 THR HA H 116 4.960 4.960 4.906 0.054 18547 3655 1 4 . 1 1 126 126 THR C C 116 172.200 172.200 175.513 -3.313 18547 3656 1 4 . 1 1 126 126 THR CA C 116 58.800 58.800 60.099 -1.299 18547 3657 1 4 . 1 1 126 126 THR CB C 116 69.200 69.200 72.150 -2.950 18547 3658 1 4 . 1 1 126 126 THR H H 116 8.760 8.760 8.096 0.664 18547 3659 1 4 . 1 1 127 127 THR N N 117 116.000 116.000 121.165 -5.165 18547 3660 1 4 . 1 1 127 127 THR HA H 117 4.390 4.390 4.389 0.001 18547 3661 1 4 . 1 1 127 127 THR C C 117 174.400 174.400 174.777 -0.377 18547 3662 1 4 . 1 1 127 127 THR CA C 117 62.900 62.900 65.286 -2.386 18547 3663 1 4 . 1 1 127 127 THR CB C 117 68.800 68.800 69.054 -0.254 18547 3664 1 4 . 1 1 127 127 THR H H 117 8.460 8.460 8.624 -0.164 18547 3665 1 4 . 1 1 128 128 SER N N 118 116.400 116.400 116.091 0.309 18547 3666 1 4 . 1 1 128 128 SER HA H 118 4.890 4.890 4.593 0.297 18547 3667 1 4 . 1 1 128 128 SER C C 118 174.700 174.700 174.838 -0.138 18547 3668 1 4 . 1 1 128 128 SER CA C 118 55.400 55.400 56.245 -0.844 18547 3669 1 4 . 1 1 128 128 SER CB C 118 63.000 63.000 64.448 -1.448 18547 3670 1 4 . 1 1 128 128 SER H H 118 7.730 7.730 7.493 0.237 18547 3671 1 4 . 1 1 129 129 GLU N N 119 130.300 130.300 128.756 1.544 18547 3672 1 4 . 1 1 129 129 GLU HA H 119 3.940 3.940 3.996 -0.056 18547 3673 1 4 . 1 1 129 129 GLU C C 119 178.400 178.400 178.150 0.250 18547 3674 1 4 . 1 1 129 129 GLU CA C 119 59.900 59.900 59.817 0.083 18547 3675 1 4 . 1 1 129 129 GLU CB C 119 29.700 29.700 29.695 0.005 18547 3676 1 4 . 1 1 129 129 GLU H H 119 9.000 9.000 9.228 -0.228 18547 3677 1 4 . 1 1 130 130 GLN N N 120 117.300 117.300 118.707 -1.407 18547 3678 1 4 . 1 1 130 130 GLN HA H 120 4.120 4.120 4.142 -0.022 18547 3679 1 4 . 1 1 130 130 GLN C C 120 177.900 177.900 178.310 -0.410 18547 3680 1 4 . 1 1 130 130 GLN CA C 120 58.400 58.400 58.659 -0.259 18547 3681 1 4 . 1 1 130 130 GLN CB C 120 28.000 28.000 28.663 -0.662 18547 3682 1 4 . 1 1 130 130 GLN H H 120 8.410 8.410 7.805 0.605 18547 3683 1 4 . 1 1 131 131 MET N N 121 118.300 118.300 119.659 -1.359 18547 3684 1 4 . 1 1 131 131 MET HA H 121 4.240 4.240 4.267 -0.027 18547 3685 1 4 . 1 1 131 131 MET C C 121 176.400 176.400 178.115 -1.715 18547 3686 1 4 . 1 1 131 131 MET CA C 121 57.300 57.300 58.620 -1.320 18547 3687 1 4 . 1 1 131 131 MET CB C 121 32.400 32.400 32.621 -0.221 18547 3688 1 4 . 1 1 131 131 MET H H 121 7.640 7.640 7.733 -0.093 18547 3689 1 4 . 1 1 132 132 LEU N N 122 118.700 118.700 120.198 -1.498 18547 3690 1 4 . 1 1 132 132 LEU HA H 122 3.630 3.630 3.851 -0.221 18547 3691 1 4 . 1 1 132 132 LEU C C 122 177.100 177.100 179.251 -2.151 18547 3692 1 4 . 1 1 132 132 LEU CA C 122 58.300 58.300 57.883 0.417 18547 3693 1 4 . 1 1 132 132 LEU CB C 122 41.900 41.900 41.654 0.247 18547 3694 1 4 . 1 1 132 132 LEU H H 122 7.470 7.470 7.834 -0.364 18547 3695 1 4 . 1 1 133 133 VAL N N 123 114.600 114.600 118.304 -3.704 18547 3696 1 4 . 1 1 133 133 VAL HA H 123 3.360 3.360 3.643 -0.283 18547 3697 1 4 . 1 1 133 133 VAL C C 123 176.700 176.700 178.030 -1.330 18547 3698 1 4 . 1 1 133 133 VAL CA C 123 66.600 66.600 66.872 -0.272 18547 3699 1 4 . 1 1 133 133 VAL CB C 123 31.800 31.800 31.510 0.290 18547 3700 1 4 . 1 1 133 133 VAL H H 123 7.040 7.040 7.731 -0.691 18547 3701 1 4 . 1 1 134 134 GLU N N 124 116.700 116.700 120.445 -3.745 18547 3702 1 4 . 1 1 134 134 GLU HA H 124 3.900 3.900 3.974 -0.074 18547 3703 1 4 . 1 1 134 134 GLU C C 124 180.700 180.700 178.859 1.841 18547 3704 1 4 . 1 1 134 134 GLU CA C 124 59.300 59.300 59.329 -0.029 18547 3705 1 4 . 1 1 134 134 GLU CB C 124 29.900 29.900 29.578 0.322 18547 3706 1 4 . 1 1 134 134 GLU H H 124 7.200 7.200 7.779 -0.579 18547 3707 1 4 . 1 1 135 135 VAL N N 125 114.700 114.700 114.559 0.141 18547 3708 1 4 . 1 1 135 135 VAL HA H 125 3.930 3.930 3.923 0.007 18547 3709 1 4 . 1 1 135 135 VAL C C 125 177.900 177.900 177.846 0.054 18547 3710 1 4 . 1 1 135 135 VAL CA C 125 63.800 63.800 64.565 -0.765 18547 3711 1 4 . 1 1 135 135 VAL CB C 125 30.400 30.400 30.262 0.138 18547 3712 1 4 . 1 1 135 135 VAL H H 125 8.620 8.620 8.238 0.382 18547 3713 1 4 . 1 1 136 136 GLY N N 126 112.200 112.200 109.457 2.743 18547 3714 1 4 . 1 1 136 136 GLY C C 126 174.800 174.800 175.655 -0.855 18547 3715 1 4 . 1 1 136 136 GLY CA C 126 47.200 47.200 46.750 0.450 18547 3716 1 4 . 1 1 136 136 GLY H H 126 7.750 7.750 7.760 -0.010 18547 3717 1 4 . 1 1 137 137 VAL N N 127 119.100 119.100 122.109 -3.009 18547 3718 1 4 . 1 1 137 137 VAL HA H 127 3.510 3.510 3.858 -0.348 18547 3719 1 4 . 1 1 137 137 VAL C C 127 179.100 179.100 177.835 1.265 18547 3720 1 4 . 1 1 137 137 VAL CA C 127 67.400 67.400 66.288 1.112 18547 3721 1 4 . 1 1 137 137 VAL CB C 127 32.500 32.500 31.566 0.934 18547 3722 1 4 . 1 1 137 137 VAL H H 127 7.680 7.680 7.331 0.349 18547 3723 1 4 . 1 1 138 138 GLY N N 128 106.300 106.300 107.442 -1.142 18547 3724 1 4 . 1 1 138 138 GLY C C 128 177.900 177.900 175.879 2.021 18547 3725 1 4 . 1 1 138 138 GLY CA C 128 47.300 47.300 47.127 0.173 18547 3726 1 4 . 1 1 138 138 GLY H H 128 8.210 8.210 7.697 0.513 18547 3727 1 4 . 1 1 139 139 TRP N N 129 122.500 122.500 120.863 1.637 18547 3728 1 4 . 1 1 139 139 TRP HA H 129 4.890 4.890 4.652 0.238 18547 3729 1 4 . 1 1 139 139 TRP C C 129 179.100 179.100 178.306 0.794 18547 3730 1 4 . 1 1 139 139 TRP CA C 129 59.800 59.800 59.095 0.705 18547 3731 1 4 . 1 1 139 139 TRP CB C 129 30.100 30.100 29.815 0.285 18547 3732 1 4 . 1 1 139 139 TRP H H 129 8.880 8.880 7.948 0.932 18547 3733 1 4 . 1 1 140 140 GLU N N 130 119.000 119.000 120.324 -1.324 18547 3734 1 4 . 1 1 140 140 GLU HA H 130 4.020 4.020 4.109 -0.089 18547 3735 1 4 . 1 1 140 140 GLU C C 130 179.300 179.300 179.197 0.103 18547 3736 1 4 . 1 1 140 140 GLU CA C 130 62.900 62.900 59.513 3.387 18547 3737 1 4 . 1 1 140 140 GLU CB C 130 30.600 30.600 29.328 1.272 18547 3738 1 4 . 1 1 140 140 GLU H H 130 8.210 8.210 7.810 0.400 18547 3739 1 4 . 1 1 141 141 MET N N 131 117.100 117.100 117.973 -0.873 18547 3740 1 4 . 1 1 141 141 MET HA H 131 4.330 4.330 4.138 0.192 18547 3741 1 4 . 1 1 141 141 MET C C 131 178.500 178.500 178.381 0.119 18547 3742 1 4 . 1 1 141 141 MET CA C 131 57.700 57.700 58.941 -1.241 18547 3743 1 4 . 1 1 141 141 MET CB C 131 30.600 30.600 32.488 -1.888 18547 3744 1 4 . 1 1 141 141 MET H H 131 8.210 8.210 7.931 0.279 18547 3745 1 4 . 1 1 142 142 ALA N N 132 121.400 121.400 124.391 -2.991 18547 3746 1 4 . 1 1 142 142 ALA HA H 132 4.720 4.720 4.659 0.061 18547 3747 1 4 . 1 1 142 142 ALA C C 132 180.900 180.900 179.924 0.976 18547 3748 1 4 . 1 1 142 142 ALA CA C 132 55.700 55.700 55.349 0.351 18547 3749 1 4 . 1 1 142 142 ALA CB C 132 18.200 18.200 18.873 -0.673 18547 3750 1 4 . 1 1 142 142 ALA H H 132 7.910 7.910 7.893 0.017 18547 3751 1 4 . 1 1 143 143 LEU N N 133 117.200 117.200 117.391 -0.191 18547 3752 1 4 . 1 1 143 143 LEU HA H 133 4.150 4.150 4.367 -0.217 18547 3753 1 4 . 1 1 143 143 LEU C C 133 180.300 180.300 179.304 0.996 18547 3754 1 4 . 1 1 143 143 LEU CA C 133 57.300 57.300 56.538 0.762 18547 3755 1 4 . 1 1 143 143 LEU CB C 133 40.600 40.600 40.589 0.011 18547 3756 1 4 . 1 1 143 143 LEU H H 133 9.190 9.190 8.479 0.711 18547 3757 1 4 . 1 1 144 144 ASP N N 134 122.600 122.600 122.422 0.178 18547 3758 1 4 . 1 1 144 144 ASP HA H 134 4.580 4.580 4.331 0.249 18547 3759 1 4 . 1 1 144 144 ASP C C 134 179.900 179.900 178.274 1.626 18547 3760 1 4 . 1 1 144 144 ASP CA C 134 57.800 57.800 57.812 -0.012 18547 3761 1 4 . 1 1 144 144 ASP CB C 134 39.800 39.800 40.879 -1.079 18547 3762 1 4 . 1 1 144 144 ASP H H 134 7.930 7.930 8.126 -0.196 18547 3763 1 4 . 1 1 145 145 PHE N N 135 119.300 119.300 117.763 1.537 18547 3764 1 4 . 1 1 145 145 PHE HA H 135 4.580 4.580 4.374 0.206 18547 3765 1 4 . 1 1 145 145 PHE C C 135 178.000 178.000 178.148 -0.148 18547 3766 1 4 . 1 1 145 145 PHE CA C 135 61.700 61.700 61.075 0.625 18547 3767 1 4 . 1 1 145 145 PHE CB C 135 39.400 39.400 38.849 0.551 18547 3768 1 4 . 1 1 145 145 PHE H H 135 7.690 7.690 8.128 -0.438 18547 3769 1 4 . 1 1 146 146 LEU N N 136 124.400 124.400 121.962 2.438 18547 3770 1 4 . 1 1 146 146 LEU HA H 136 3.200 3.200 3.966 -0.766 18547 3771 1 4 . 1 1 146 146 LEU C C 136 178.800 178.800 178.426 0.374 18547 3772 1 4 . 1 1 146 146 LEU CA C 136 58.400 58.400 57.625 0.775 18547 3773 1 4 . 1 1 146 146 LEU CB C 136 38.800 38.800 40.959 -2.159 18547 3774 1 4 . 1 1 146 146 LEU H H 136 7.930 7.930 8.642 -0.712 18547 3775 1 4 . 1 1 147 147 GLY N N 137 104.200 104.200 106.882 -2.682 18547 3776 1 4 . 1 1 147 147 GLY C C 137 176.100 176.100 176.521 -0.421 18547 3777 1 4 . 1 1 147 147 GLY CA C 137 47.900 47.900 47.511 0.389 18547 3778 1 4 . 1 1 147 147 GLY H H 137 8.340 8.340 8.067 0.273 18547 3779 1 4 . 1 1 148 148 MET N N 138 119.300 119.300 120.878 -1.578 18547 3780 1 4 . 1 1 148 148 MET HA H 138 4.090 4.090 4.403 -0.313 18547 3781 1 4 . 1 1 148 148 MET C C 138 177.700 177.700 178.395 -0.695 18547 3782 1 4 . 1 1 148 148 MET CA C 138 59.400 59.400 57.093 2.307 18547 3783 1 4 . 1 1 148 148 MET CB C 138 34.500 34.500 31.777 2.723 18547 3784 1 4 . 1 1 148 148 MET H H 138 7.550 7.550 8.194 -0.644 18547 3785 1 4 . 1 1 149 149 PHE N N 139 120.400 120.400 122.072 -1.672 18547 3786 1 4 . 1 1 149 149 PHE HA H 139 4.380 4.380 4.259 0.121 18547 3787 1 4 . 1 1 149 149 PHE C C 139 179.100 179.100 177.562 1.538 18547 3788 1 4 . 1 1 149 149 PHE CA C 139 60.800 60.800 61.386 -0.586 18547 3789 1 4 . 1 1 149 149 PHE CB C 139 39.200 39.200 39.109 0.091 18547 3790 1 4 . 1 1 149 149 PHE H H 139 8.600 8.600 8.306 0.294 18547 3791 1 4 . 1 1 150 150 ILE N N 140 121.300 121.300 117.484 3.816 18547 3792 1 4 . 1 1 150 150 ILE HA H 140 3.420 3.420 3.384 0.036 18547 3793 1 4 . 1 1 150 150 ILE C C 140 177.500 177.500 177.439 0.061 18547 3794 1 4 . 1 1 150 150 ILE CA C 140 63.100 63.100 63.778 -0.678 18547 3795 1 4 . 1 1 150 150 ILE CB C 140 37.100 37.100 37.675 -0.575 18547 3796 1 4 . 1 1 150 150 ILE H H 140 8.780 8.780 7.991 0.789 18547 3797 1 4 . 1 1 151 151 ARG N N 141 116.500 116.500 118.480 -1.980 18547 3798 1 4 . 1 1 151 151 ARG HA H 141 4.220 4.220 4.044 0.176 18547 3799 1 4 . 1 1 151 151 ARG C C 141 176.700 176.700 177.092 -0.392 18547 3800 1 4 . 1 1 151 151 ARG CA C 141 57.500 57.500 57.741 -0.241 18547 3801 1 4 . 1 1 151 151 ARG CB C 141 31.500 31.500 31.307 0.193 18547 3802 1 4 . 1 1 151 151 ARG H H 141 7.730 7.730 7.795 -0.065 18547 3803 1 4 . 1 1 152 152 GLY N N 142 106.800 106.800 105.240 1.560 18547 3804 1 4 . 1 1 152 152 GLY C C 142 174.900 174.900 174.371 0.529 18547 3805 1 4 . 1 1 152 152 GLY CA C 142 45.700 45.700 44.618 1.082 18547 3806 1 4 . 1 1 152 152 GLY H H 142 7.570 7.570 8.174 -0.604 18547 3807 1 4 . 1 1 153 153 ASP N N 143 119.400 119.400 124.518 -5.118 18547 3808 1 4 . 1 1 153 153 ASP HA H 143 4.780 4.780 4.862 -0.082 18547 3809 1 4 . 1 1 153 153 ASP C C 143 175.400 175.400 174.939 0.461 18547 3810 1 4 . 1 1 153 153 ASP CA C 143 54.200 54.200 54.208 -0.007 18547 3811 1 4 . 1 1 153 153 ASP CB C 143 42.100 42.100 40.360 1.740 18547 3812 1 4 . 1 1 153 153 ASP H H 143 8.290 8.290 7.950 0.340 18547 3813 1 4 . 1 1 154 154 LEU N N 144 121.300 121.300 125.550 -4.250 18547 3814 1 4 . 1 1 154 154 LEU HA H 144 4.810 4.810 4.798 0.012 18547 3815 1 4 . 1 1 154 154 LEU CA C 144 52.800 52.800 52.603 0.197 18547 3816 1 4 . 1 1 154 154 LEU CB C 144 42.500 42.500 43.834 -1.334 18547 3817 1 4 . 1 1 154 154 LEU H H 144 8.010 8.010 7.637 0.373 18547 3818 1 4 . 1 1 155 155 PRO HA H 145 4.480 4.480 4.722 -0.242 18547 3819 1 4 . 1 1 155 155 PRO C C 145 177.600 177.600 177.373 0.227 18547 3820 1 4 . 1 1 155 155 PRO CA C 145 63.500 63.500 62.294 1.206 18547 3821 1 4 . 1 1 155 155 PRO CB C 145 32.200 32.200 32.898 -0.698 18547 3822 1 4 . 1 1 156 156 GLY N N 146 108.900 108.900 108.251 0.649 18547 3823 1 4 . 1 1 156 156 GLY C C 146 174.300 174.300 174.249 0.051 18547 3824 1 4 . 1 1 156 156 GLY CA C 146 45.100 45.100 44.803 0.297 18547 3825 1 4 . 1 1 156 156 GLY H H 146 8.530 8.530 8.474 0.056 18547 3826 1 4 . 1 1 157 157 GLY N N 147 108.800 108.800 110.547 -1.747 18547 3827 1 4 . 1 1 157 157 GLY CA C 147 44.500 44.500 43.774 0.726 18547 3828 1 4 . 1 1 157 157 GLY H H 147 8.080 8.080 7.637 0.443 18547 3829 1 4 . 1 1 158 158 PRO HA H 148 4.440 4.440 4.395 0.045 18547 3830 1 4 . 1 1 158 158 PRO C C 148 176.800 176.800 176.854 -0.054 18547 3831 1 4 . 1 1 158 158 PRO CA C 148 63.000 63.000 62.894 0.106 18547 3832 1 4 . 1 1 158 158 PRO CB C 148 32.100 32.100 32.218 -0.118 18547 3833 1 4 . 1 1 159 159 VAL N N 149 121.400 121.400 122.636 -1.236 18547 3834 1 4 . 1 1 159 159 VAL HA H 149 4.390 4.390 4.257 0.133 18547 3835 1 4 . 1 1 159 159 VAL CA C 149 59.800 59.800 60.108 -0.308 18547 3836 1 4 . 1 1 159 159 VAL CB C 149 32.600 32.600 31.977 0.623 18547 3837 1 4 . 1 1 159 159 VAL H H 149 8.220 8.220 7.986 0.234 18547 3838 1 4 . 1 1 160 160 PRO HA H 150 4.380 4.380 4.261 0.119 18547 3839 1 4 . 1 1 160 160 PRO C C 150 177.200 177.200 177.066 0.134 18547 3840 1 4 . 1 1 160 160 PRO CA C 150 63.300 63.300 64.849 -1.549 18547 3841 1 4 . 1 1 160 160 PRO CB C 150 32.100 32.100 32.078 0.022 18547 3842 1 4 . 1 1 161 161 GLU N N 151 120.700 120.700 116.368 4.332 18547 3843 1 4 . 1 1 161 161 GLU HA H 151 4.170 4.170 4.236 -0.066 18547 3844 1 4 . 1 1 161 161 GLU CA C 151 57.400 57.400 56.619 0.781 18547 3845 1 4 . 1 1 161 161 GLU CB C 151 29.900 29.900 29.959 -0.059 18547 3846 1 4 . 1 1 161 161 GLU H H 151 8.620 8.620 7.777 0.843 18547 3847 1 4 . 1 1 162 162 ASP N N 152 119.900 119.900 119.581 0.319 18547 3848 1 4 . 1 1 162 162 ASP HA H 152 4.570 4.570 4.255 0.315 18547 3849 1 4 . 1 1 162 162 ASP C C 152 176.000 176.000 174.068 1.932 18547 3850 1 4 . 1 1 162 162 ASP CA C 152 54.200 54.200 54.935 -0.735 18547 3851 1 4 . 1 1 162 162 ASP CB C 152 41.000 41.000 39.771 1.229 18547 3852 1 4 . 1 1 162 162 ASP H H 152 8.250 8.250 8.335 -0.085 18547 3853 1 4 . 1 1 163 163 ALA N N 153 124.000 124.000 125.349 -1.349 18547 3854 1 4 . 1 1 163 163 ALA HA H 153 4.270 4.270 4.567 -0.297 18547 3855 1 4 . 1 1 163 163 ALA C C 153 177.400 177.400 175.805 1.595 18547 3856 1 4 . 1 1 163 163 ALA CA C 153 52.700 52.700 51.453 1.247 18547 3857 1 4 . 1 1 163 163 ALA CB C 153 19.200 19.200 20.473 -1.273 18547 3858 1 4 . 1 1 163 163 ALA H H 153 8.040 8.040 8.172 -0.132 18547 3859 1 4 . 1 1 164 164 ALA N N 154 122.600 122.600 126.580 -3.980 18547 3860 1 4 . 1 1 164 164 ALA HA H 154 4.260 4.260 4.171 0.089 18547 3861 1 4 . 1 1 164 164 ALA C C 154 177.900 177.900 177.025 0.875 18547 3862 1 4 . 1 1 164 164 ALA CA C 154 52.600 52.600 52.622 -0.022 18547 3863 1 4 . 1 1 164 164 ALA CB C 154 19.300 19.300 18.332 0.968 18547 3864 1 4 . 1 1 164 164 ALA H H 154 8.190 8.190 8.571 -0.381 18547 3865 1 4 . 1 1 165 165 GLU N N 155 119.400 119.400 124.399 -4.999 18547 3866 1 4 . 1 1 165 165 GLU HA H 155 4.220 4.220 4.494 -0.274 18547 3867 1 4 . 1 1 165 165 GLU C C 155 176.200 176.200 176.765 -0.565 18547 3868 1 4 . 1 1 165 165 GLU CA C 155 56.500 56.500 55.375 1.125 18547 3869 1 4 . 1 1 165 165 GLU CB C 155 30.300 30.300 31.817 -1.517 18547 3870 1 4 . 1 1 165 165 GLU H H 155 8.190 8.190 8.070 0.120 18547 3871 1 4 . 1 1 166 166 GLU N N 156 121.000 121.000 125.267 -4.267 18547 3872 1 4 . 1 1 166 166 GLU HA H 156 4.240 4.240 3.997 0.243 18547 3873 1 4 . 1 1 166 166 GLU C C 156 175.800 175.800 176.692 -0.892 18547 3874 1 4 . 1 1 166 166 GLU CA C 156 56.300 56.300 58.597 -2.297 18547 3875 1 4 . 1 1 166 166 GLU CB C 156 30.300 30.300 29.692 0.608 18547 3876 1 4 . 1 1 166 166 GLU H H 156 8.230 8.230 8.996 -0.766 18547 3877 1 4 . 1 1 167 167 PHE N N 157 121.400 121.400 113.862 7.538 18547 3878 1 4 . 1 1 167 167 PHE HA H 157 4.590 4.590 4.856 -0.266 18547 3879 1 4 . 1 1 167 167 PHE C C 157 175.100 175.100 175.592 -0.492 18547 3880 1 4 . 1 1 167 167 PHE CA C 157 57.700 57.700 55.213 2.487 18547 3881 1 4 . 1 1 167 167 PHE CB C 157 39.900 39.900 37.988 1.912 18547 3882 1 4 . 1 1 167 167 PHE H H 157 8.240 8.240 7.690 0.550 18547 3883 1 4 . 1 1 168 168 GLU N N 158 124.400 124.400 123.117 1.283 18547 3884 1 4 . 1 1 168 168 GLU HA H 158 4.600 4.600 4.122 0.478 18547 3885 1 4 . 1 1 168 168 GLU CA C 158 53.700 53.700 54.953 -1.254 18547 3886 1 4 . 1 1 168 168 GLU CB C 158 30.400 30.400 29.933 0.467 18547 3887 1 4 . 1 1 168 168 GLU H H 158 8.130 8.130 7.660 0.470 18547 3888 1 4 . 1 1 169 169 PRO HA H 159 4.460 4.460 4.563 -0.103 18547 3889 1 4 . 1 1 169 169 PRO C C 159 176.200 176.200 175.719 0.481 18547 3890 1 4 . 1 1 169 169 PRO CA C 159 62.800 62.800 63.243 -0.443 18547 3891 1 4 . 1 1 169 169 PRO CB C 159 32.300 32.300 31.777 0.523 18547 3892 1 4 . 1 1 170 170 SER N N 160 118.600 118.600 115.666 2.934 18547 3893 1 4 . 1 1 170 170 SER HA H 160 4.780 4.780 4.870 -0.090 18547 3894 1 4 . 1 1 170 170 SER CA C 160 56.200 56.200 55.038 1.162 18547 3895 1 4 . 1 1 170 170 SER CB C 160 63.200 63.200 64.234 -1.034 18547 3896 1 4 . 1 1 170 170 SER H H 160 8.290 8.290 7.470 0.820 18547 3897 1 4 . 1 1 171 171 PRO HA H 161 4.350 4.350 4.140 0.210 18547 3898 1 4 . 1 1 171 171 PRO C C 161 179.400 179.400 178.896 0.504 18547 3899 1 4 . 1 1 171 171 PRO CA C 161 65.500 65.500 65.472 0.028 18547 3900 1 4 . 1 1 171 171 PRO CB C 161 31.700 31.700 32.022 -0.321 18547 3901 1 4 . 1 1 172 172 GLU N N 162 118.300 118.300 118.566 -0.266 18547 3902 1 4 . 1 1 172 172 GLU HA H 162 4.160 4.160 4.099 0.061 18547 3903 1 4 . 1 1 172 172 GLU C C 162 178.300 178.300 178.608 -0.308 18547 3904 1 4 . 1 1 172 172 GLU CA C 162 59.300 59.300 59.724 -0.424 18547 3905 1 4 . 1 1 172 172 GLU CB C 162 29.400 29.400 29.338 0.062 18547 3906 1 4 . 1 1 172 172 GLU H H 162 8.540 8.540 8.588 -0.048 18547 3907 1 4 . 1 1 173 173 MET N N 163 119.400 119.400 119.465 -0.065 18547 3908 1 4 . 1 1 173 173 MET HA H 163 4.260 4.260 4.266 -0.006 18547 3909 1 4 . 1 1 173 173 MET C C 163 179.200 179.200 178.436 0.764 18547 3910 1 4 . 1 1 173 173 MET CA C 163 58.200 58.200 57.985 0.215 18547 3911 1 4 . 1 1 173 173 MET CB C 163 32.500 32.500 32.309 0.191 18547 3912 1 4 . 1 1 173 173 MET H H 163 7.830 7.830 7.809 0.021 18547 3913 1 4 . 1 1 174 174 MET N N 164 119.300 119.300 118.960 0.340 18547 3914 1 4 . 1 1 174 174 MET HA H 164 4.260 4.260 4.156 0.104 18547 3915 1 4 . 1 1 174 174 MET C C 164 178.600 178.600 178.213 0.387 18547 3916 1 4 . 1 1 174 174 MET CA C 164 58.200 58.200 58.358 -0.158 18547 3917 1 4 . 1 1 174 174 MET CB C 164 31.900 31.900 31.758 0.142 18547 3918 1 4 . 1 1 174 174 MET H H 164 8.320 8.320 8.111 0.209 18547 3919 1 4 . 1 1 175 175 ARG N N 165 121.200 121.200 119.928 1.272 18547 3920 1 4 . 1 1 175 175 ARG HA H 165 4.160 4.160 4.117 0.043 18547 3921 1 4 . 1 1 175 175 ARG C C 165 178.800 178.800 178.723 0.077 18547 3922 1 4 . 1 1 175 175 ARG CA C 165 59.400 59.400 58.779 0.621 18547 3923 1 4 . 1 1 175 175 ARG CB C 165 29.900 29.900 29.672 0.228 18547 3924 1 4 . 1 1 175 175 ARG H H 165 8.020 8.020 7.714 0.306 18547 3925 1 4 . 1 1 176 176 ILE N N 166 120.500 120.500 118.927 1.573 18547 3926 1 4 . 1 1 176 176 ILE HA H 166 3.920 3.920 3.679 0.241 18547 3927 1 4 . 1 1 176 176 ILE C C 166 178.500 178.500 178.170 0.330 18547 3928 1 4 . 1 1 176 176 ILE CA C 166 64.500 64.500 64.952 -0.452 18547 3929 1 4 . 1 1 176 176 ILE CB C 166 37.900 37.900 37.525 0.375 18547 3930 1 4 . 1 1 176 176 ILE H H 166 8.110 8.110 8.400 -0.290 18547 3931 1 4 . 1 1 177 177 SER N N 167 116.300 116.300 115.262 1.038 18547 3932 1 4 . 1 1 177 177 SER HA H 167 4.240 4.240 4.133 0.107 18547 3933 1 4 . 1 1 177 177 SER C C 167 177.300 177.300 176.335 0.965 18547 3934 1 4 . 1 1 177 177 SER CA C 167 62.500 62.500 62.023 0.478 18547 3935 1 4 . 1 1 177 177 SER CB C 167 62.800 62.800 63.197 -0.397 18547 3936 1 4 . 1 1 177 177 SER H H 167 8.290 8.290 7.883 0.407 18547 3937 1 4 . 1 1 178 178 GLN N N 168 123.300 123.300 120.731 2.569 18547 3938 1 4 . 1 1 178 178 GLN HA H 168 4.110 4.110 3.989 0.121 18547 3939 1 4 . 1 1 178 178 GLN C C 168 178.600 178.600 178.237 0.363 18547 3940 1 4 . 1 1 178 178 GLN CA C 168 59.200 59.200 58.627 0.573 18547 3941 1 4 . 1 1 178 178 GLN CB C 168 28.000 28.000 28.125 -0.124 18547 3942 1 4 . 1 1 178 178 GLN H H 168 8.080 8.080 7.715 0.365 18547 3943 1 4 . 1 1 179 179 GLU N N 169 121.200 121.200 120.165 1.035 18547 3944 1 4 . 1 1 179 179 GLU HA H 169 4.090 4.090 3.951 0.139 18547 3945 1 4 . 1 1 179 179 GLU C C 169 180.500 180.500 179.451 1.049 18547 3946 1 4 . 1 1 179 179 GLU CA C 169 59.500 59.500 59.101 0.399 18547 3947 1 4 . 1 1 179 179 GLU CB C 169 29.700 29.700 28.981 0.719 18547 3948 1 4 . 1 1 179 179 GLU H H 169 8.380 8.380 7.988 0.392 18547 3949 1 4 . 1 1 180 180 ARG N N 170 120.800 120.800 119.613 1.187 18547 3950 1 4 . 1 1 180 180 ARG HA H 170 4.010 4.010 4.190 -0.180 18547 3951 1 4 . 1 1 180 180 ARG C C 170 178.100 178.100 178.855 -0.755 18547 3952 1 4 . 1 1 180 180 ARG CA C 170 59.900 59.900 58.415 1.485 18547 3953 1 4 . 1 1 180 180 ARG CB C 170 30.600 30.600 30.021 0.579 18547 3954 1 4 . 1 1 180 180 ARG H H 170 8.670 8.670 8.062 0.608 18547 3955 1 4 . 1 1 181 181 GLY N N 171 108.200 108.200 106.632 1.568 18547 3956 1 4 . 1 1 181 181 GLY C C 171 176.600 176.600 176.536 0.064 18547 3957 1 4 . 1 1 181 181 GLY CA C 171 47.800 47.800 46.834 0.966 18547 3958 1 4 . 1 1 181 181 GLY H H 171 8.550 8.550 8.084 0.466 18547 3959 1 4 . 1 1 182 182 GLU N N 172 121.900 121.900 121.702 0.198 18547 3960 1 4 . 1 1 182 182 GLU HA H 172 4.110 4.110 4.209 -0.099 18547 3961 1 4 . 1 1 182 182 GLU C C 172 179.300 179.300 178.675 0.625 18547 3962 1 4 . 1 1 182 182 GLU CA C 172 59.300 59.300 58.498 0.802 18547 3963 1 4 . 1 1 182 182 GLU CB C 172 29.300 29.300 29.113 0.187 18547 3964 1 4 . 1 1 182 182 GLU H H 172 8.190 8.190 8.476 -0.286 18547 3965 1 4 . 1 1 183 183 ALA N N 173 123.500 123.500 122.973 0.527 18547 3966 1 4 . 1 1 183 183 ALA HA H 173 4.150 4.150 4.071 0.079 18547 3967 1 4 . 1 1 183 183 ALA C C 173 181.500 181.500 179.397 2.103 18547 3968 1 4 . 1 1 183 183 ALA CA C 173 55.000 55.000 54.874 0.126 18547 3969 1 4 . 1 1 183 183 ALA CB C 173 17.100 17.100 18.054 -0.954 18547 3970 1 4 . 1 1 183 183 ALA H H 173 7.800 7.800 7.523 0.277 18547 3971 1 4 . 1 1 184 184 TRP N N 174 118.100 118.100 119.035 -0.935 18547 3972 1 4 . 1 1 184 184 TRP HA H 174 4.540 4.540 4.252 0.288 18547 3973 1 4 . 1 1 184 184 TRP C C 174 178.500 178.500 178.137 0.363 18547 3974 1 4 . 1 1 184 184 TRP CA C 174 60.600 60.600 59.981 0.619 18547 3975 1 4 . 1 1 184 184 TRP CB C 174 30.800 30.800 29.213 1.587 18547 3976 1 4 . 1 1 184 184 TRP H H 174 8.400 8.400 7.738 0.662 18547 3977 1 4 . 1 1 185 185 ALA N N 175 121.700 121.700 122.067 -0.367 18547 3978 1 4 . 1 1 185 185 ALA HA H 175 3.920 3.920 3.784 0.136 18547 3979 1 4 . 1 1 185 185 ALA C C 175 179.600 179.600 178.507 1.093 18547 3980 1 4 . 1 1 185 185 ALA CA C 175 55.600 55.600 54.597 1.003 18547 3981 1 4 . 1 1 185 185 ALA CB C 175 17.900 17.900 17.799 0.101 18547 3982 1 4 . 1 1 185 185 ALA H H 175 8.800 8.800 7.956 0.844 18547 3983 1 4 . 1 1 186 186 ALA N N 176 119.000 119.000 121.565 -2.565 18547 3984 1 4 . 1 1 186 186 ALA HA H 176 4.190 4.190 3.982 0.208 18547 3985 1 4 . 1 1 186 186 ALA C C 176 180.300 180.300 179.609 0.691 18547 3986 1 4 . 1 1 186 186 ALA CA C 176 54.800 54.800 54.900 -0.100 18547 3987 1 4 . 1 1 186 186 ALA CB C 176 17.900 17.900 18.197 -0.297 18547 3988 1 4 . 1 1 186 186 ALA H H 176 7.860 7.860 7.506 0.354 18547 3989 1 4 . 1 1 187 187 LEU N N 177 118.500 118.500 118.097 0.403 18547 3990 1 4 . 1 1 187 187 LEU HA H 177 4.210 4.210 3.954 0.256 18547 3991 1 4 . 1 1 187 187 LEU C C 177 179.400 179.400 179.232 0.168 18547 3992 1 4 . 1 1 187 187 LEU CA C 177 57.600 57.600 57.663 -0.063 18547 3993 1 4 . 1 1 187 187 LEU CB C 177 42.700 42.700 41.930 0.770 18547 3994 1 4 . 1 1 187 187 LEU H H 177 7.460 7.460 7.640 -0.180 18547 3995 1 4 . 1 1 188 188 VAL N N 178 118.500 118.500 118.868 -0.368 18547 3996 1 4 . 1 1 188 188 VAL HA H 178 3.660 3.660 3.696 -0.036 18547 3997 1 4 . 1 1 188 188 VAL C C 178 177.600 177.600 177.898 -0.298 18547 3998 1 4 . 1 1 188 188 VAL CA C 178 66.000 66.000 65.254 0.746 18547 3999 1 4 . 1 1 188 188 VAL CB C 178 32.400 32.400 31.861 0.539 18547 4000 1 4 . 1 1 188 188 VAL H H 178 8.640 8.640 7.619 1.021 18547 4001 1 4 . 1 1 189 189 HIS N N 179 116.000 116.000 119.457 -3.457 18547 4002 1 4 . 1 1 189 189 HIS HA H 179 4.780 4.780 4.460 0.320 18547 4003 1 4 . 1 1 189 189 HIS C C 179 175.300 175.300 176.896 -1.596 18547 4004 1 4 . 1 1 189 189 HIS CA C 179 56.200 56.200 58.416 -2.216 18547 4005 1 4 . 1 1 189 189 HIS CB C 179 28.500 28.500 29.818 -1.318 18547 4006 1 4 . 1 1 189 189 HIS H H 179 8.150 8.150 7.963 0.187 18547 4007 1 4 . 1 1 190 190 SER N N 180 115.000 115.000 113.397 1.603 18547 4008 1 4 . 1 1 190 190 SER HA H 180 4.480 4.480 4.439 0.041 18547 4009 1 4 . 1 1 190 190 SER C C 180 175.100 175.100 175.225 -0.125 18547 4010 1 4 . 1 1 190 190 SER CA C 180 59.500 59.500 59.235 0.265 18547 4011 1 4 . 1 1 190 190 SER CB C 180 64.000 64.000 63.893 0.107 18547 4012 1 4 . 1 1 190 190 SER H H 180 7.820 7.820 7.814 0.006 18547 4013 1 4 . 1 1 191 191 GLY N N 181 111.100 111.100 108.357 2.743 18547 4014 1 4 . 1 1 191 191 GLY C C 181 173.400 173.400 173.587 -0.187 18547 4015 1 4 . 1 1 191 191 GLY CA C 181 45.500 45.500 45.977 -0.477 18547 4016 1 4 . 1 1 191 191 GLY H H 181 8.330 8.330 8.095 0.235 18547 4017 1 5 . 1 1 12 12 ALA N N 2 125.600 125.600 123.391 2.209 18547 4018 1 5 . 1 1 12 12 ALA HA H 2 4.300 4.300 4.736 -0.436 18547 4019 1 5 . 1 1 12 12 ALA C C 2 177.600 177.600 175.260 2.340 18547 4020 1 5 . 1 1 12 12 ALA CA C 2 52.600 52.600 52.458 0.142 18547 4021 1 5 . 1 1 12 12 ALA CB C 2 19.200 19.200 21.047 -1.847 18547 4022 1 5 . 1 1 12 12 ALA H H 2 8.380 8.380 8.488 -0.108 18547 4023 1 5 . 1 1 13 13 SER N N 3 115.000 115.000 113.979 1.021 18547 4024 1 5 . 1 1 13 13 SER HA H 3 4.390 4.390 4.658 -0.268 18547 4025 1 5 . 1 1 13 13 SER C C 3 175.100 175.100 174.578 0.522 18547 4026 1 5 . 1 1 13 13 SER CA C 3 58.500 58.500 57.695 0.805 18547 4027 1 5 . 1 1 13 13 SER CB C 3 63.800 63.800 63.053 0.747 18547 4028 1 5 . 1 1 13 13 SER H H 3 8.250 8.250 8.336 -0.086 18547 4029 1 5 . 1 1 14 14 GLY N N 4 110.700 110.700 111.656 -0.956 18547 4030 1 5 . 1 1 14 14 GLY C C 4 174.000 174.000 173.685 0.315 18547 4031 1 5 . 1 1 14 14 GLY CA C 4 45.400 45.400 44.754 0.646 18547 4032 1 5 . 1 1 14 14 GLY H H 4 8.390 8.390 8.409 -0.019 18547 4033 1 5 . 1 1 15 15 GLN N N 5 120.100 120.100 121.191 -1.091 18547 4034 1 5 . 1 1 15 15 GLN HA H 5 4.310 4.310 4.367 -0.057 18547 4035 1 5 . 1 1 15 15 GLN C C 5 175.500 175.500 174.870 0.630 18547 4036 1 5 . 1 1 15 15 GLN CA C 5 55.600 55.600 54.561 1.039 18547 4037 1 5 . 1 1 15 15 GLN CB C 5 29.700 29.700 27.837 1.863 18547 4038 1 5 . 1 1 15 15 GLN H H 5 8.190 8.190 7.727 0.463 18547 4039 1 5 . 1 1 16 16 ALA N N 6 126.000 126.000 127.593 -1.593 18547 4040 1 5 . 1 1 16 16 ALA HA H 6 4.360 4.360 4.609 -0.249 18547 4041 1 5 . 1 1 16 16 ALA C C 6 177.300 177.300 175.766 1.534 18547 4042 1 5 . 1 1 16 16 ALA CA C 6 52.300 52.300 51.411 0.889 18547 4043 1 5 . 1 1 16 16 ALA CB C 6 19.200 19.200 20.295 -1.095 18547 4044 1 5 . 1 1 16 16 ALA H H 6 8.400 8.400 8.308 0.092 18547 4045 1 5 . 1 1 17 17 THR N N 7 119.200 119.200 117.243 1.957 18547 4046 1 5 . 1 1 17 17 THR HA H 7 4.370 4.370 4.679 -0.309 18547 4047 1 5 . 1 1 17 17 THR C C 7 173.600 173.600 174.036 -0.436 18547 4048 1 5 . 1 1 17 17 THR CA C 7 63.200 63.200 61.501 1.699 18547 4049 1 5 . 1 1 17 17 THR CB C 7 70.600 70.600 69.903 0.697 18547 4050 1 5 . 1 1 17 17 THR H H 7 8.180 8.180 8.004 0.176 18547 4051 1 5 . 1 1 18 18 GLU N N 8 127.500 127.500 128.451 -0.951 18547 4052 1 5 . 1 1 18 18 GLU HA H 8 4.540 4.540 4.629 -0.089 18547 4053 1 5 . 1 1 18 18 GLU C C 8 174.200 174.200 175.020 -0.820 18547 4054 1 5 . 1 1 18 18 GLU CA C 8 55.100 55.100 55.280 -0.180 18547 4055 1 5 . 1 1 18 18 GLU CB C 8 31.900 31.900 31.337 0.563 18547 4056 1 5 . 1 1 18 18 GLU H H 8 8.810 8.810 8.443 0.367 18547 4057 1 5 . 1 1 19 19 ARG N N 9 122.100 122.100 124.690 -2.590 18547 4058 1 5 . 1 1 19 19 ARG HA H 9 5.060 5.060 5.008 0.052 18547 4059 1 5 . 1 1 19 19 ARG C C 9 175.000 175.000 175.976 -0.976 18547 4060 1 5 . 1 1 19 19 ARG CA C 9 54.800 54.800 56.077 -1.277 18547 4061 1 5 . 1 1 19 19 ARG CB C 9 31.600 31.600 30.907 0.693 18547 4062 1 5 . 1 1 19 19 ARG H H 9 8.070 8.070 8.734 -0.664 18547 4063 1 5 . 1 1 20 20 ALA N N 10 126.300 126.300 124.920 1.380 18547 4064 1 5 . 1 1 20 20 ALA HA H 10 4.640 4.640 4.626 0.014 18547 4065 1 5 . 1 1 20 20 ALA C C 10 173.800 173.800 174.871 -1.071 18547 4066 1 5 . 1 1 20 20 ALA CA C 10 51.100 51.100 51.583 -0.483 18547 4067 1 5 . 1 1 20 20 ALA CB C 10 22.800 22.800 21.796 1.004 18547 4068 1 5 . 1 1 20 20 ALA H H 10 9.390 9.390 8.771 0.619 18547 4069 1 5 . 1 1 21 21 LEU N N 11 117.500 117.500 119.917 -2.417 18547 4070 1 5 . 1 1 21 21 LEU HA H 11 5.790 5.790 5.490 0.300 18547 4071 1 5 . 1 1 21 21 LEU C C 11 178.100 178.100 175.555 2.545 18547 4072 1 5 . 1 1 21 21 LEU CA C 11 53.100 53.100 53.740 -0.640 18547 4073 1 5 . 1 1 21 21 LEU CB C 11 45.400 45.400 46.113 -0.713 18547 4074 1 5 . 1 1 21 21 LEU H H 11 8.280 8.280 8.261 0.019 18547 4075 1 5 . 1 1 22 22 GLY N N 12 113.400 113.400 109.901 3.499 18547 4076 1 5 . 1 1 22 22 GLY C C 12 174.800 174.800 172.151 2.649 18547 4077 1 5 . 1 1 22 22 GLY CA C 12 44.500 44.500 45.451 -0.951 18547 4078 1 5 . 1 1 22 22 GLY H H 12 8.830 8.830 8.811 0.019 18547 4079 1 5 . 1 1 23 23 ARG N N 13 119.600 119.600 120.564 -0.964 18547 4080 1 5 . 1 1 23 23 ARG HA H 13 5.040 5.040 4.774 0.266 18547 4081 1 5 . 1 1 23 23 ARG C C 13 174.900 174.900 174.779 0.121 18547 4082 1 5 . 1 1 23 23 ARG CA C 13 55.800 55.800 55.638 0.162 18547 4083 1 5 . 1 1 23 23 ARG CB C 13 33.600 33.600 32.877 0.723 18547 4084 1 5 . 1 1 23 23 ARG H H 13 8.160 8.160 8.411 -0.251 18547 4085 1 5 . 1 1 24 24 ARG N N 14 121.900 121.900 124.573 -2.673 18547 4086 1 5 . 1 1 24 24 ARG HA H 14 4.530 4.530 4.557 -0.027 18547 4087 1 5 . 1 1 24 24 ARG C C 14 174.000 174.000 174.327 -0.327 18547 4088 1 5 . 1 1 24 24 ARG CA C 14 55.200 55.200 55.591 -0.391 18547 4089 1 5 . 1 1 24 24 ARG CB C 14 34.700 34.700 33.049 1.651 18547 4090 1 5 . 1 1 24 24 ARG H H 14 8.780 8.780 8.591 0.189 18547 4091 1 5 . 1 1 25 25 THR N N 15 121.700 121.700 122.578 -0.878 18547 4092 1 5 . 1 1 25 25 THR HA H 15 4.420 4.420 4.461 -0.041 18547 4093 1 5 . 1 1 25 25 THR C C 15 173.700 173.700 174.482 -0.782 18547 4094 1 5 . 1 1 25 25 THR CA C 15 63.600 63.600 63.054 0.546 18547 4095 1 5 . 1 1 25 25 THR CB C 15 68.600 68.600 69.386 -0.786 18547 4096 1 5 . 1 1 25 25 THR H H 15 8.800 8.800 8.388 0.412 18547 4097 1 5 . 1 1 26 26 ILE N N 16 124.200 124.200 120.722 3.478 18547 4098 1 5 . 1 1 26 26 ILE HA H 16 4.940 4.940 4.894 0.046 18547 4099 1 5 . 1 1 26 26 ILE CA C 16 59.300 59.300 56.925 2.375 18547 4100 1 5 . 1 1 26 26 ILE CB C 16 38.200 38.200 39.287 -1.087 18547 4101 1 5 . 1 1 26 26 ILE H H 16 8.420 8.420 8.511 -0.091 18547 4102 1 5 . 1 1 27 27 PRO HA H 17 4.180 4.180 4.240 -0.060 18547 4103 1 5 . 1 1 27 27 PRO C C 17 178.100 178.100 176.902 1.198 18547 4104 1 5 . 1 1 27 27 PRO CA C 17 67.200 67.200 65.523 1.677 18547 4105 1 5 . 1 1 27 27 PRO CB C 17 30.700 30.700 31.357 -0.656 18547 4106 1 5 . 1 1 28 28 ALA N N 18 114.800 114.800 118.838 -4.038 18547 4107 1 5 . 1 1 28 28 ALA HA H 18 4.270 4.270 4.273 -0.003 18547 4108 1 5 . 1 1 28 28 ALA C C 18 177.000 177.000 177.645 -0.645 18547 4109 1 5 . 1 1 28 28 ALA CA C 18 53.100 53.100 53.053 0.047 18547 4110 1 5 . 1 1 28 28 ALA CB C 18 19.500 19.500 19.584 -0.084 18547 4111 1 5 . 1 1 28 28 ALA H H 18 8.060 8.060 8.120 -0.060 18547 4112 1 5 . 1 1 29 29 GLY N N 19 107.100 107.100 105.685 1.415 18547 4113 1 5 . 1 1 29 29 GLY C C 19 171.900 171.900 171.928 -0.028 18547 4114 1 5 . 1 1 29 29 GLY CA C 19 44.000 44.000 44.858 -0.858 18547 4115 1 5 . 1 1 29 29 GLY H H 19 8.140 8.140 7.414 0.726 18547 4116 1 5 . 1 1 30 30 GLU N N 20 120.000 120.000 121.105 -1.105 18547 4117 1 5 . 1 1 30 30 GLU HA H 20 4.320 4.320 4.423 -0.103 18547 4118 1 5 . 1 1 30 30 GLU C C 20 175.600 175.600 174.890 0.710 18547 4119 1 5 . 1 1 30 30 GLU CA C 20 57.300 57.300 56.305 0.995 18547 4120 1 5 . 1 1 30 30 GLU CB C 20 29.100 29.100 30.509 -1.409 18547 4121 1 5 . 1 1 30 30 GLU H H 20 8.380 8.380 8.524 -0.144 18547 4122 1 5 . 1 1 31 31 ALA N N 21 129.500 129.500 126.131 3.369 18547 4123 1 5 . 1 1 31 31 ALA HA H 21 4.610 4.610 4.746 -0.136 18547 4124 1 5 . 1 1 31 31 ALA C C 21 177.200 177.200 175.761 1.439 18547 4125 1 5 . 1 1 31 31 ALA CA C 21 51.200 51.200 50.810 0.390 18547 4126 1 5 . 1 1 31 31 ALA CB C 21 22.500 22.500 22.679 -0.179 18547 4127 1 5 . 1 1 31 31 ALA H H 21 8.660 8.660 8.258 0.402 18547 4128 1 5 . 1 1 32 32 ARG N N 22 120.400 120.400 118.569 1.831 18547 4129 1 5 . 1 1 32 32 ARG HA H 22 4.950 4.950 4.805 0.145 18547 4130 1 5 . 1 1 32 32 ARG C C 22 173.400 173.400 175.713 -2.313 18547 4131 1 5 . 1 1 32 32 ARG CA C 22 55.500 55.500 54.575 0.925 18547 4132 1 5 . 1 1 32 32 ARG CB C 22 32.500 32.500 33.327 -0.827 18547 4133 1 5 . 1 1 32 32 ARG H H 22 8.090 8.090 8.127 -0.037 18547 4134 1 5 . 1 1 33 33 SER N N 23 113.800 113.800 114.972 -1.172 18547 4135 1 5 . 1 1 33 33 SER HA H 23 5.560 5.560 5.387 0.173 18547 4136 1 5 . 1 1 33 33 SER C C 23 174.500 174.500 174.188 0.312 18547 4137 1 5 . 1 1 33 33 SER CA C 23 55.600 55.600 56.778 -1.177 18547 4138 1 5 . 1 1 33 33 SER CB C 23 67.300 67.300 65.719 1.581 18547 4139 1 5 . 1 1 33 33 SER H H 23 8.080 8.080 8.462 -0.382 18547 4140 1 5 . 1 1 34 34 ILE N N 24 112.700 112.700 119.690 -6.990 18547 4141 1 5 . 1 1 34 34 ILE HA H 24 4.950 4.950 4.656 0.294 18547 4142 1 5 . 1 1 34 34 ILE C C 24 175.400 175.400 174.285 1.115 18547 4143 1 5 . 1 1 34 34 ILE CA C 24 58.300 58.300 60.528 -2.228 18547 4144 1 5 . 1 1 34 34 ILE CB C 24 39.900 39.900 38.976 0.924 18547 4145 1 5 . 1 1 34 34 ILE H H 24 7.980 7.980 8.606 -0.626 18547 4146 1 5 . 1 1 35 35 ILE N N 25 121.800 121.800 126.853 -5.053 18547 4147 1 5 . 1 1 35 35 ILE HA H 25 4.960 4.960 5.146 -0.186 18547 4148 1 5 . 1 1 35 35 ILE C C 25 174.800 174.800 175.125 -0.325 18547 4149 1 5 . 1 1 35 35 ILE CA C 25 60.700 60.700 59.323 1.377 18547 4150 1 5 . 1 1 35 35 ILE CB C 25 41.300 41.300 40.199 1.101 18547 4151 1 5 . 1 1 35 35 ILE H H 25 8.960 8.960 8.288 0.672 18547 4152 1 5 . 1 1 36 36 ILE N N 26 127.900 127.900 128.308 -0.408 18547 4153 1 5 . 1 1 36 36 ILE HA H 26 4.770 4.770 4.546 0.224 18547 4154 1 5 . 1 1 36 36 ILE C C 26 175.000 175.000 175.277 -0.277 18547 4155 1 5 . 1 1 36 36 ILE CA C 26 59.900 59.900 60.528 -0.628 18547 4156 1 5 . 1 1 36 36 ILE CB C 26 42.100 42.100 38.246 3.854 18547 4157 1 5 . 1 1 36 36 ILE H H 26 9.210 9.210 8.351 0.859 18547 4158 1 5 . 1 1 37 37 ARG N N 27 124.100 124.100 127.494 -3.394 18547 4159 1 5 . 1 1 37 37 ARG HA H 27 5.850 5.850 5.277 0.573 18547 4160 1 5 . 1 1 37 37 ARG C C 27 176.200 176.200 175.632 0.568 18547 4161 1 5 . 1 1 37 37 ARG CA C 27 54.100 54.100 54.793 -0.693 18547 4162 1 5 . 1 1 37 37 ARG CB C 27 32.900 32.900 32.990 -0.090 18547 4163 1 5 . 1 1 37 37 ARG H H 27 8.670 8.670 8.887 -0.217 18547 4164 1 5 . 1 1 38 38 GLN N N 28 122.900 122.900 119.619 3.281 18547 4165 1 5 . 1 1 38 38 GLN HA H 28 4.710 4.710 4.901 -0.191 18547 4166 1 5 . 1 1 38 38 GLN C C 28 173.200 173.200 173.517 -0.317 18547 4167 1 5 . 1 1 38 38 GLN CA C 28 54.400 54.400 55.700 -1.300 18547 4168 1 5 . 1 1 38 38 GLN CB C 28 35.200 35.200 32.715 2.485 18547 4169 1 5 . 1 1 38 38 GLN H H 28 9.310 9.310 8.675 0.635 18547 4170 1 5 . 1 1 39 39 ARG N N 29 121.400 121.400 128.560 -7.160 18547 4171 1 5 . 1 1 39 39 ARG HA H 29 5.260 5.260 4.709 0.551 18547 4172 1 5 . 1 1 39 39 ARG C C 29 175.400 175.400 175.028 0.372 18547 4173 1 5 . 1 1 39 39 ARG CA C 29 55.100 55.100 55.438 -0.338 18547 4174 1 5 . 1 1 39 39 ARG CB C 29 32.500 32.500 31.149 1.351 18547 4175 1 5 . 1 1 39 39 ARG H H 29 8.510 8.510 8.072 0.438 18547 4176 1 5 . 1 1 40 40 TYR N N 30 120.000 120.000 127.095 -7.095 18547 4177 1 5 . 1 1 40 40 TYR HA H 30 4.600 4.600 4.561 0.039 18547 4178 1 5 . 1 1 40 40 TYR C C 30 175.600 175.600 175.602 -0.002 18547 4179 1 5 . 1 1 40 40 TYR CA C 30 56.900 56.900 57.753 -0.853 18547 4180 1 5 . 1 1 40 40 TYR CB C 30 42.700 42.700 40.725 1.975 18547 4181 1 5 . 1 1 40 40 TYR H H 30 9.140 9.140 8.854 0.286 18547 4182 1 5 . 1 1 41 41 ASP N N 31 126.400 126.400 125.032 1.368 18547 4183 1 5 . 1 1 41 41 ASP HA H 31 4.880 4.880 4.832 0.048 18547 4184 1 5 . 1 1 41 41 ASP C C 31 174.500 174.500 174.499 0.001 18547 4185 1 5 . 1 1 41 41 ASP CA C 31 53.200 53.200 53.867 -0.667 18547 4186 1 5 . 1 1 41 41 ASP CB C 31 39.200 39.200 40.192 -0.992 18547 4187 1 5 . 1 1 41 41 ASP H H 31 9.140 9.140 8.911 0.229 18547 4188 1 5 . 1 1 42 42 ALA N N 32 123.100 123.100 122.683 0.417 18547 4189 1 5 . 1 1 42 42 ALA HA H 32 4.690 4.690 4.670 0.020 18547 4190 1 5 . 1 1 42 42 ALA CA C 32 50.100 50.100 50.617 -0.518 18547 4191 1 5 . 1 1 42 42 ALA CB C 32 20.200 20.200 21.066 -0.866 18547 4192 1 5 . 1 1 42 42 ALA H H 32 7.770 7.770 7.588 0.182 18547 4193 1 5 . 1 1 43 43 PRO HA H 33 4.650 4.650 4.677 -0.027 18547 4194 1 5 . 1 1 43 43 PRO C C 33 178.100 178.100 177.417 0.683 18547 4195 1 5 . 1 1 43 43 PRO CA C 33 62.000 62.000 62.672 -0.672 18547 4196 1 5 . 1 1 43 43 PRO CB C 33 33.000 33.000 32.565 0.435 18547 4197 1 5 . 1 1 44 44 VAL N N 34 123.500 123.500 122.945 0.555 18547 4198 1 5 . 1 1 44 44 VAL HA H 34 3.960 3.960 3.553 0.407 18547 4199 1 5 . 1 1 44 44 VAL C C 34 177.500 177.500 177.302 0.198 18547 4200 1 5 . 1 1 44 44 VAL CA C 34 66.000 66.000 66.945 -0.945 18547 4201 1 5 . 1 1 44 44 VAL CB C 34 32.000 32.000 31.159 0.841 18547 4202 1 5 . 1 1 44 44 VAL H H 34 8.570 8.570 8.269 0.301 18547 4203 1 5 . 1 1 45 45 ASP N N 35 116.200 116.200 116.756 -0.556 18547 4204 1 5 . 1 1 45 45 ASP HA H 35 4.290 4.290 4.321 -0.031 18547 4205 1 5 . 1 1 45 45 ASP C C 35 178.800 178.800 178.609 0.191 18547 4206 1 5 . 1 1 45 45 ASP CA C 35 57.500 57.500 57.272 0.229 18547 4207 1 5 . 1 1 45 45 ASP CB C 35 40.400 40.400 39.972 0.428 18547 4208 1 5 . 1 1 45 45 ASP H H 35 8.520 8.520 8.570 -0.050 18547 4209 1 5 . 1 1 46 46 GLU N N 36 120.100 120.100 119.385 0.715 18547 4210 1 5 . 1 1 46 46 GLU HA H 36 4.260 4.260 4.239 0.021 18547 4211 1 5 . 1 1 46 46 GLU C C 36 179.000 179.000 178.802 0.198 18547 4212 1 5 . 1 1 46 46 GLU CA C 36 58.400 58.400 58.175 0.225 18547 4213 1 5 . 1 1 46 46 GLU CB C 36 29.700 29.700 29.672 0.028 18547 4214 1 5 . 1 1 46 46 GLU H H 36 7.360 7.360 7.658 -0.298 18547 4215 1 5 . 1 1 47 47 VAL N N 37 121.800 121.800 119.909 1.891 18547 4216 1 5 . 1 1 47 47 VAL HA H 37 3.370 3.370 3.622 -0.252 18547 4217 1 5 . 1 1 47 47 VAL C C 37 177.100 177.100 177.784 -0.684 18547 4218 1 5 . 1 1 47 47 VAL CA C 37 66.900 66.900 66.046 0.854 18547 4219 1 5 . 1 1 47 47 VAL CB C 37 31.000 31.000 31.418 -0.417 18547 4220 1 5 . 1 1 47 47 VAL H H 37 7.680 7.680 7.646 0.034 18547 4221 1 5 . 1 1 48 48 TRP N N 38 119.800 119.800 122.357 -2.557 18547 4222 1 5 . 1 1 48 48 TRP HA H 38 3.990 3.990 4.419 -0.429 18547 4223 1 5 . 1 1 48 48 TRP C C 38 180.700 180.700 177.334 3.366 18547 4224 1 5 . 1 1 48 48 TRP CA C 38 60.900 60.900 60.507 0.393 18547 4225 1 5 . 1 1 48 48 TRP CB C 38 29.300 29.300 30.036 -0.736 18547 4226 1 5 . 1 1 48 48 TRP H H 38 9.160 9.160 8.860 0.300 18547 4227 1 5 . 1 1 49 49 SER N N 39 116.100 116.100 116.331 -0.231 18547 4228 1 5 . 1 1 49 49 SER HA H 39 4.010 4.010 4.152 -0.142 18547 4229 1 5 . 1 1 49 49 SER C C 39 175.700 175.700 176.514 -0.814 18547 4230 1 5 . 1 1 49 49 SER CA C 39 62.700 62.700 62.212 0.488 18547 4231 1 5 . 1 1 49 49 SER CB C 39 62.700 62.700 63.070 -0.370 18547 4232 1 5 . 1 1 49 49 SER H H 39 8.230 8.230 7.788 0.442 18547 4233 1 5 . 1 1 50 50 ALA N N 40 122.300 122.300 123.824 -1.524 18547 4234 1 5 . 1 1 50 50 ALA HA H 40 4.020 4.020 4.308 -0.288 18547 4235 1 5 . 1 1 50 50 ALA C C 40 176.700 176.700 179.772 -3.072 18547 4236 1 5 . 1 1 50 50 ALA CA C 40 55.200 55.200 55.166 0.034 18547 4237 1 5 . 1 1 50 50 ALA CB C 40 18.800 18.800 18.268 0.532 18547 4238 1 5 . 1 1 50 50 ALA H H 40 7.770 7.770 7.806 -0.036 18547 4239 1 5 . 1 1 51 51 CYS N N 41 109.400 109.400 116.321 -6.921 18547 4240 1 5 . 1 1 51 51 CYS HA H 41 4.510 4.510 4.425 0.085 18547 4241 1 5 . 1 1 51 51 CYS C C 41 172.200 172.200 176.186 -3.986 18547 4242 1 5 . 1 1 51 51 CYS CA C 41 61.100 61.100 62.080 -0.980 18547 4243 1 5 . 1 1 51 51 CYS CB C 41 29.800 29.800 26.840 2.960 18547 4244 1 5 . 1 1 51 51 CYS H H 41 7.080 7.080 8.102 -1.022 18547 4245 1 5 . 1 1 52 52 THR N N 42 100.100 100.100 111.884 -11.784 18547 4246 1 5 . 1 1 52 52 THR HA H 42 4.240 4.240 4.213 0.027 18547 4247 1 5 . 1 1 52 52 THR C C 42 173.500 173.500 174.648 -1.148 18547 4248 1 5 . 1 1 52 52 THR CA C 42 62.200 62.200 62.167 0.033 18547 4249 1 5 . 1 1 52 52 THR CB C 42 71.800 71.800 70.073 1.727 18547 4250 1 5 . 1 1 52 52 THR H H 42 6.800 6.800 7.420 -0.620 18547 4251 1 5 . 1 1 53 53 ASP N N 43 123.000 123.000 124.981 -1.981 18547 4252 1 5 . 1 1 53 53 ASP HA H 43 5.080 5.080 4.819 0.261 18547 4253 1 5 . 1 1 53 53 ASP CA C 43 50.600 50.600 52.307 -1.707 18547 4254 1 5 . 1 1 53 53 ASP CB C 43 42.000 42.000 43.158 -1.158 18547 4255 1 5 . 1 1 53 53 ASP H H 43 8.040 8.040 7.946 0.094 18547 4256 1 5 . 1 1 54 54 PRO HA H 44 3.960 3.960 4.233 -0.273 18547 4257 1 5 . 1 1 54 54 PRO C C 44 176.300 176.300 178.122 -1.822 18547 4258 1 5 . 1 1 54 54 PRO CA C 44 65.900 65.900 65.091 0.809 18547 4259 1 5 . 1 1 54 54 PRO CB C 44 32.700 32.700 32.271 0.429 18547 4260 1 5 . 1 1 55 55 ASN N N 45 112.700 112.700 116.824 -4.124 18547 4261 1 5 . 1 1 55 55 ASN HA H 45 4.520 4.520 4.508 0.012 18547 4262 1 5 . 1 1 55 55 ASN C C 45 175.900 175.900 176.547 -0.647 18547 4263 1 5 . 1 1 55 55 ASN CA C 45 55.100 55.100 55.233 -0.133 18547 4264 1 5 . 1 1 55 55 ASN CB C 45 38.900 38.900 37.898 1.002 18547 4265 1 5 . 1 1 55 55 ASN H H 45 8.160 8.160 8.068 0.092 18547 4266 1 5 . 1 1 56 56 ARG N N 46 117.700 117.700 117.877 -0.177 18547 4267 1 5 . 1 1 56 56 ARG HA H 46 4.250 4.250 4.350 -0.100 18547 4268 1 5 . 1 1 56 56 ARG C C 46 177.100 177.100 178.575 -1.475 18547 4269 1 5 . 1 1 56 56 ARG CA C 46 58.400 58.400 56.745 1.655 18547 4270 1 5 . 1 1 56 56 ARG CB C 46 31.800 31.800 30.400 1.400 18547 4271 1 5 . 1 1 56 56 ARG H H 46 7.940 7.940 7.475 0.465 18547 4272 1 5 . 1 1 57 57 ILE N N 47 120.100 120.100 121.287 -1.187 18547 4273 1 5 . 1 1 57 57 ILE HA H 47 3.420 3.420 3.914 -0.494 18547 4274 1 5 . 1 1 57 57 ILE C C 47 177.400 177.400 176.544 0.856 18547 4275 1 5 . 1 1 57 57 ILE CA C 47 64.400 64.400 64.853 -0.453 18547 4276 1 5 . 1 1 57 57 ILE CB C 47 39.500 39.500 37.857 1.643 18547 4277 1 5 . 1 1 57 57 ILE H H 47 8.610 8.610 7.893 0.717 18547 4278 1 5 . 1 1 58 58 ASN N N 48 112.100 112.100 115.398 -3.298 18547 4279 1 5 . 1 1 58 58 ASN HA H 48 3.780 3.780 4.620 -0.840 18547 4280 1 5 . 1 1 58 58 ASN C C 48 175.300 175.300 176.033 -0.733 18547 4281 1 5 . 1 1 58 58 ASN CA C 48 54.400 54.400 53.780 0.620 18547 4282 1 5 . 1 1 58 58 ASN CB C 48 38.200 38.200 37.719 0.480 18547 4283 1 5 . 1 1 58 58 ASN H H 48 7.440 7.440 7.902 -0.462 18547 4284 1 5 . 1 1 59 59 ARG N N 49 115.600 115.600 118.363 -2.763 18547 4285 1 5 . 1 1 59 59 ARG HA H 49 4.120 4.120 4.320 -0.200 18547 4286 1 5 . 1 1 59 59 ARG C C 49 174.700 174.700 176.021 -1.321 18547 4287 1 5 . 1 1 59 59 ARG CA C 49 55.900 55.900 56.417 -0.517 18547 4288 1 5 . 1 1 59 59 ARG CB C 49 29.900 29.900 30.577 -0.677 18547 4289 1 5 . 1 1 59 59 ARG H H 49 7.370 7.370 7.419 -0.049 18547 4290 1 5 . 1 1 60 60 TRP N N 50 112.500 112.500 115.109 -2.609 18547 4291 1 5 . 1 1 60 60 TRP HA H 50 4.860 4.860 4.915 -0.055 18547 4292 1 5 . 1 1 60 60 TRP C C 50 173.400 173.400 173.928 -0.528 18547 4293 1 5 . 1 1 60 60 TRP CA C 50 55.800 55.800 56.493 -0.693 18547 4294 1 5 . 1 1 60 60 TRP CB C 50 31.500 31.500 31.179 0.321 18547 4295 1 5 . 1 1 60 60 TRP H H 50 6.860 6.860 7.516 -0.656 18547 4296 1 5 . 1 1 61 61 PHE N N 51 126.400 126.400 119.436 6.964 18547 4297 1 5 . 1 1 61 61 PHE HA H 51 4.690 4.690 4.752 -0.062 18547 4298 1 5 . 1 1 61 61 PHE C C 51 173.000 173.000 173.919 -0.919 18547 4299 1 5 . 1 1 61 61 PHE CA C 51 55.000 55.000 55.351 -0.351 18547 4300 1 5 . 1 1 61 61 PHE CB C 51 37.600 37.600 41.292 -3.692 18547 4301 1 5 . 1 1 61 61 PHE H H 51 7.830 7.830 7.650 0.180 18547 4302 1 5 . 1 1 62 62 ILE N N 52 126.800 126.800 121.473 5.327 18547 4303 1 5 . 1 1 62 62 ILE HA H 52 3.760 3.760 3.979 -0.219 18547 4304 1 5 . 1 1 62 62 ILE C C 52 172.600 172.600 175.012 -2.412 18547 4305 1 5 . 1 1 62 62 ILE CA C 52 59.900 59.900 60.659 -0.759 18547 4306 1 5 . 1 1 62 62 ILE CB C 52 41.600 41.600 38.430 3.170 18547 4307 1 5 . 1 1 62 62 ILE H H 52 6.010 6.010 7.077 -1.067 18547 4308 1 5 . 1 1 63 63 GLU N N 53 124.400 124.400 122.704 1.696 18547 4309 1 5 . 1 1 63 63 GLU HA H 53 3.850 3.850 4.140 -0.290 18547 4310 1 5 . 1 1 63 63 GLU CA C 53 54.800 54.800 54.342 0.458 18547 4311 1 5 . 1 1 63 63 GLU CB C 53 31.700 31.700 28.983 2.717 18547 4312 1 5 . 1 1 63 63 GLU H H 53 8.280 8.280 8.211 0.069 18547 4313 1 5 . 1 1 64 64 PRO HA H 54 4.920 4.920 5.029 -0.109 18547 4314 1 5 . 1 1 64 64 PRO C C 54 175.500 175.500 176.220 -0.720 18547 4315 1 5 . 1 1 64 64 PRO CA C 54 62.000 62.000 61.728 0.272 18547 4316 1 5 . 1 1 64 64 PRO CB C 54 31.800 31.800 32.806 -1.006 18547 4317 1 5 . 1 1 65 65 LYS N N 55 120.200 120.200 125.738 -5.538 18547 4318 1 5 . 1 1 65 65 LYS HA H 55 4.780 4.780 4.673 0.107 18547 4319 1 5 . 1 1 65 65 LYS C C 55 176.000 176.000 175.709 0.291 18547 4320 1 5 . 1 1 65 65 LYS CA C 55 54.200 54.200 55.174 -0.974 18547 4321 1 5 . 1 1 65 65 LYS CB C 55 35.300 35.300 34.155 1.145 18547 4322 1 5 . 1 1 65 65 LYS H H 55 8.370 8.370 8.730 -0.360 18547 4323 1 5 . 1 1 66 66 GLY N N 56 109.400 109.400 111.467 -2.067 18547 4324 1 5 . 1 1 66 66 GLY C C 56 171.400 171.400 173.381 -1.981 18547 4325 1 5 . 1 1 66 66 GLY CA C 56 45.400 45.400 45.534 -0.134 18547 4326 1 5 . 1 1 66 66 GLY H H 56 8.640 8.640 8.012 0.628 18547 4327 1 5 . 1 1 67 67 ASP N N 57 123.800 123.800 120.654 3.146 18547 4328 1 5 . 1 1 67 67 ASP HA H 57 4.900 4.900 4.599 0.301 18547 4329 1 5 . 1 1 67 67 ASP C C 57 175.600 175.600 177.398 -1.798 18547 4330 1 5 . 1 1 67 67 ASP CA C 57 52.400 52.400 55.058 -2.658 18547 4331 1 5 . 1 1 67 67 ASP CB C 57 40.700 40.700 41.582 -0.882 18547 4332 1 5 . 1 1 67 67 ASP H H 57 7.790 7.790 8.509 -0.719 18547 4333 1 5 . 1 1 68 68 LEU N N 58 122.800 122.800 115.339 7.461 18547 4334 1 5 . 1 1 68 68 LEU HA H 58 4.270 4.270 3.969 0.301 18547 4335 1 5 . 1 1 68 68 LEU C C 58 173.700 173.700 176.502 -2.802 18547 4336 1 5 . 1 1 68 68 LEU CA C 58 54.500 54.500 56.325 -1.825 18547 4337 1 5 . 1 1 68 68 LEU CB C 58 38.300 38.300 40.852 -2.552 18547 4338 1 5 . 1 1 68 68 LEU H H 58 8.330 8.330 8.108 0.222 18547 4339 1 5 . 1 1 69 69 ARG N N 59 121.800 121.800 117.826 3.974 18547 4340 1 5 . 1 1 69 69 ARG HA H 59 4.710 4.710 4.607 0.103 18547 4341 1 5 . 1 1 69 69 ARG CA C 59 54.100 54.100 54.249 -0.149 18547 4342 1 5 . 1 1 69 69 ARG CB C 59 31.800 31.800 32.109 -0.309 18547 4343 1 5 . 1 1 69 69 ARG H H 59 8.120 8.120 7.635 0.485 18547 4344 1 5 . 1 1 70 70 GLU N N 60 122.800 122.800 120.951 1.849 18547 4345 1 5 . 1 1 70 70 GLU HA H 60 3.870 3.870 3.908 -0.038 18547 4346 1 5 . 1 1 70 70 GLU C C 60 177.200 177.200 177.683 -0.483 18547 4347 1 5 . 1 1 70 70 GLU CA C 60 60.000 60.000 58.512 1.488 18547 4348 1 5 . 1 1 70 70 GLU CB C 60 30.200 30.200 29.803 0.397 18547 4349 1 5 . 1 1 70 70 GLU H H 60 9.130 9.130 8.516 0.614 18547 4350 1 5 . 1 1 71 71 GLY N N 61 117.100 117.100 114.838 2.262 18547 4351 1 5 . 1 1 71 71 GLY C C 61 174.900 174.900 174.163 0.737 18547 4352 1 5 . 1 1 71 71 GLY CA C 61 45.600 45.600 44.865 0.735 18547 4353 1 5 . 1 1 71 71 GLY H H 61 8.710 8.710 8.605 0.105 18547 4354 1 5 . 1 1 72 72 GLY N N 62 110.300 110.300 109.358 0.942 18547 4355 1 5 . 1 1 72 72 GLY C C 62 174.200 174.200 172.530 1.670 18547 4356 1 5 . 1 1 72 72 GLY CA C 62 43.400 43.400 44.005 -0.605 18547 4357 1 5 . 1 1 72 72 GLY H H 62 8.760 8.760 8.285 0.475 18547 4358 1 5 . 1 1 73 73 ASN N N 63 117.800 117.800 116.249 1.551 18547 4359 1 5 . 1 1 73 73 ASN HA H 63 5.490 5.490 5.457 0.033 18547 4360 1 5 . 1 1 73 73 ASN C C 63 171.400 171.400 173.621 -2.221 18547 4361 1 5 . 1 1 73 73 ASN CA C 63 52.900 52.900 52.217 0.683 18547 4362 1 5 . 1 1 73 73 ASN CB C 63 41.500 41.500 41.847 -0.347 18547 4363 1 5 . 1 1 73 73 ASN H H 63 8.890 8.890 8.201 0.689 18547 4364 1 5 . 1 1 74 74 PHE N N 64 113.500 113.500 114.118 -0.618 18547 4365 1 5 . 1 1 74 74 PHE HA H 64 5.500 5.500 4.970 0.530 18547 4366 1 5 . 1 1 74 74 PHE C C 64 173.200 173.200 172.567 0.633 18547 4367 1 5 . 1 1 74 74 PHE CA C 64 55.900 55.900 56.120 -0.220 18547 4368 1 5 . 1 1 74 74 PHE CB C 64 44.600 44.600 42.123 2.477 18547 4369 1 5 . 1 1 74 74 PHE H H 64 8.700 8.700 8.723 -0.024 18547 4370 1 5 . 1 1 75 75 ALA N N 65 122.200 122.200 124.478 -2.278 18547 4371 1 5 . 1 1 75 75 ALA HA H 65 4.350 4.350 4.546 -0.196 18547 4372 1 5 . 1 1 75 75 ALA C C 65 176.000 176.000 175.032 0.968 18547 4373 1 5 . 1 1 75 75 ALA CA C 65 52.500 52.500 50.575 1.925 18547 4374 1 5 . 1 1 75 75 ALA CB C 65 21.800 21.800 21.310 0.490 18547 4375 1 5 . 1 1 75 75 ALA H H 65 8.690 8.690 8.675 0.015 18547 4376 1 5 . 1 1 76 76 LEU N N 66 123.800 123.800 125.412 -1.612 18547 4377 1 5 . 1 1 76 76 LEU HA H 66 4.520 4.520 4.811 -0.291 18547 4378 1 5 . 1 1 76 76 LEU C C 66 175.800 175.800 176.657 -0.857 18547 4379 1 5 . 1 1 76 76 LEU CA C 66 52.500 52.500 53.117 -0.617 18547 4380 1 5 . 1 1 76 76 LEU CB C 66 42.400 42.400 43.078 -0.678 18547 4381 1 5 . 1 1 76 76 LEU H H 66 8.350 8.350 8.251 0.099 18547 4382 1 5 . 1 1 77 77 GLN N N 67 127.400 127.400 125.999 1.401 18547 4383 1 5 . 1 1 77 77 GLN HA H 67 3.900 3.900 4.130 -0.230 18547 4384 1 5 . 1 1 77 77 GLN C C 67 176.600 176.600 176.738 -0.138 18547 4385 1 5 . 1 1 77 77 GLN CA C 67 57.800 57.800 56.584 1.216 18547 4386 1 5 . 1 1 77 77 GLN CB C 67 28.000 28.000 28.513 -0.513 18547 4387 1 5 . 1 1 77 77 GLN H H 67 8.590 8.590 8.119 0.471 18547 4388 1 5 . 1 1 78 78 GLY N N 68 114.800 114.800 112.847 1.953 18547 4389 1 5 . 1 1 78 78 GLY C C 68 173.700 173.700 173.225 0.475 18547 4390 1 5 . 1 1 78 78 GLY CA C 68 45.700 45.700 45.280 0.420 18547 4391 1 5 . 1 1 78 78 GLY H H 68 8.920 8.920 8.625 0.295 18547 4392 1 5 . 1 1 79 79 ASN N N 69 124.000 124.000 118.085 5.915 18547 4393 1 5 . 1 1 79 79 ASN HA H 69 4.600 4.600 4.742 -0.142 18547 4394 1 5 . 1 1 79 79 ASN C C 69 173.300 173.300 172.405 0.895 18547 4395 1 5 . 1 1 79 79 ASN CA C 69 52.900 52.900 53.028 -0.128 18547 4396 1 5 . 1 1 79 79 ASN CB C 69 41.600 41.600 39.555 2.045 18547 4397 1 5 . 1 1 79 79 ASN H H 69 8.360 8.360 7.735 0.625 18547 4398 1 5 . 1 1 80 80 ALA N N 70 127.200 127.200 120.425 6.775 18547 4399 1 5 . 1 1 80 80 ALA HA H 70 4.170 4.170 4.355 -0.185 18547 4400 1 5 . 1 1 80 80 ALA C C 70 174.500 174.500 174.600 -0.100 18547 4401 1 5 . 1 1 80 80 ALA CA C 70 52.500 52.500 51.349 1.151 18547 4402 1 5 . 1 1 80 80 ALA CB C 70 18.600 18.600 21.194 -2.594 18547 4403 1 5 . 1 1 80 80 ALA H H 70 8.930 8.930 7.486 1.444 18547 4404 1 5 . 1 1 81 81 SER N N 71 111.000 111.000 114.606 -3.606 18547 4405 1 5 . 1 1 81 81 SER HA H 71 4.170 4.170 4.962 -0.792 18547 4406 1 5 . 1 1 81 81 SER C C 71 170.900 170.900 173.365 -2.465 18547 4407 1 5 . 1 1 81 81 SER CA C 71 56.300 56.300 56.189 0.111 18547 4408 1 5 . 1 1 81 81 SER CB C 71 66.600 66.600 66.096 0.504 18547 4409 1 5 . 1 1 81 81 SER H H 71 7.980 7.980 8.068 -0.088 18547 4410 1 5 . 1 1 82 82 GLY N N 72 102.700 102.700 108.489 -5.789 18547 4411 1 5 . 1 1 82 82 GLY C C 72 171.700 171.700 171.800 -0.100 18547 4412 1 5 . 1 1 82 82 GLY CA C 72 46.200 46.200 44.731 1.469 18547 4413 1 5 . 1 1 82 82 GLY H H 72 6.940 6.940 7.489 -0.549 18547 4414 1 5 . 1 1 83 83 ASP N N 73 117.900 117.900 119.113 -1.213 18547 4415 1 5 . 1 1 83 83 ASP HA H 73 5.430 5.430 5.427 0.003 18547 4416 1 5 . 1 1 83 83 ASP C C 73 176.100 176.100 176.085 0.015 18547 4417 1 5 . 1 1 83 83 ASP CA C 73 52.700 52.700 53.715 -1.015 18547 4418 1 5 . 1 1 83 83 ASP CB C 73 43.600 43.600 44.233 -0.633 18547 4419 1 5 . 1 1 83 83 ASP H H 73 8.770 8.770 7.978 0.792 18547 4420 1 5 . 1 1 84 84 ILE N N 74 120.200 120.200 120.289 -0.089 18547 4421 1 5 . 1 1 84 84 ILE HA H 74 4.530 4.530 4.436 0.094 18547 4422 1 5 . 1 1 84 84 ILE C C 74 175.600 175.600 176.740 -1.140 18547 4423 1 5 . 1 1 84 84 ILE CA C 74 61.700 61.700 59.248 2.452 18547 4424 1 5 . 1 1 84 84 ILE CB C 74 36.700 36.700 36.670 0.030 18547 4425 1 5 . 1 1 84 84 ILE H H 74 8.060 8.060 8.298 -0.238 18547 4426 1 5 . 1 1 85 85 LEU N N 75 130.400 130.400 129.620 0.780 18547 4427 1 5 . 1 1 85 85 LEU HA H 75 4.330 4.330 4.389 -0.059 18547 4428 1 5 . 1 1 85 85 LEU C C 75 178.100 178.100 177.306 0.794 18547 4429 1 5 . 1 1 85 85 LEU CA C 75 57.000 57.000 57.114 -0.114 18547 4430 1 5 . 1 1 85 85 LEU CB C 75 42.000 42.000 42.871 -0.871 18547 4431 1 5 . 1 1 85 85 LEU H H 75 8.710 8.710 8.439 0.271 18547 4432 1 5 . 1 1 86 86 ARG N N 76 115.700 115.700 117.896 -2.196 18547 4433 1 5 . 1 1 86 86 ARG HA H 76 4.840 4.840 4.908 -0.068 18547 4434 1 5 . 1 1 86 86 ARG C C 76 174.900 174.900 173.904 0.996 18547 4435 1 5 . 1 1 86 86 ARG CA C 76 54.700 54.700 55.155 -0.455 18547 4436 1 5 . 1 1 86 86 ARG CB C 76 33.900 33.900 33.274 0.626 18547 4437 1 5 . 1 1 86 86 ARG H H 76 8.130 8.130 8.046 0.084 18547 4438 1 5 . 1 1 87 87 CYS N N 77 127.100 127.100 124.552 2.548 18547 4439 1 5 . 1 1 87 87 CYS HA H 77 5.130 5.130 5.461 -0.331 18547 4440 1 5 . 1 1 87 87 CYS C C 77 171.700 171.700 174.199 -2.499 18547 4441 1 5 . 1 1 87 87 CYS CA C 77 54.600 54.600 56.672 -2.072 18547 4442 1 5 . 1 1 87 87 CYS CB C 77 33.000 33.000 29.561 3.439 18547 4443 1 5 . 1 1 87 87 CYS H H 77 10.630 10.630 9.003 1.627 18547 4444 1 5 . 1 1 88 88 GLU N N 78 128.200 128.200 126.275 1.925 18547 4445 1 5 . 1 1 88 88 GLU HA H 78 4.950 4.950 4.802 0.148 18547 4446 1 5 . 1 1 88 88 GLU CA C 78 52.100 52.100 53.413 -1.313 18547 4447 1 5 . 1 1 88 88 GLU CB C 78 30.500 30.500 31.236 -0.736 18547 4448 1 5 . 1 1 88 88 GLU H H 78 9.460 9.460 8.429 1.031 18547 4449 1 5 . 1 1 89 89 PRO HA H 79 2.780 2.780 3.199 -0.419 18547 4450 1 5 . 1 1 89 89 PRO CA C 79 60.500 60.500 61.101 -0.601 18547 4451 1 5 . 1 1 89 89 PRO CB C 79 31.600 31.600 31.194 0.406 18547 4452 1 5 . 1 1 90 90 PRO HA H 80 2.250 2.250 3.176 -0.926 18547 4453 1 5 . 1 1 90 90 PRO C C 80 171.400 171.400 176.089 -4.689 18547 4454 1 5 . 1 1 90 90 PRO CA C 80 63.700 63.700 61.535 2.165 18547 4455 1 5 . 1 1 90 90 PRO CB C 80 30.500 30.500 32.256 -1.756 18547 4456 1 5 . 1 1 91 91 ARG N N 81 113.700 113.700 118.690 -4.990 18547 4457 1 5 . 1 1 91 91 ARG HA H 81 4.700 4.700 4.050 0.650 18547 4458 1 5 . 1 1 91 91 ARG C C 81 176.500 176.500 176.251 0.249 18547 4459 1 5 . 1 1 91 91 ARG CA C 81 57.400 57.400 57.733 -0.333 18547 4460 1 5 . 1 1 91 91 ARG CB C 81 34.200 34.200 30.790 3.410 18547 4461 1 5 . 1 1 91 91 ARG H H 81 7.640 7.640 7.632 0.008 18547 4462 1 5 . 1 1 92 92 ARG N N 82 121.000 121.000 113.240 7.760 18547 4463 1 5 . 1 1 92 92 ARG HA H 82 5.700 5.700 4.691 1.009 18547 4464 1 5 . 1 1 92 92 ARG C C 82 172.700 172.700 173.272 -0.572 18547 4465 1 5 . 1 1 92 92 ARG CA C 82 55.900 55.900 55.554 0.346 18547 4466 1 5 . 1 1 92 92 ARG CB C 82 34.100 34.100 33.189 0.911 18547 4467 1 5 . 1 1 92 92 ARG H H 82 7.710 7.710 7.684 0.026 18547 4468 1 5 . 1 1 93 93 LEU N N 83 130.800 130.800 122.502 8.298 18547 4469 1 5 . 1 1 93 93 LEU HA H 83 5.250 5.250 5.142 0.108 18547 4470 1 5 . 1 1 93 93 LEU C C 83 174.000 174.000 175.615 -1.615 18547 4471 1 5 . 1 1 93 93 LEU CA C 83 53.700 53.700 53.675 0.025 18547 4472 1 5 . 1 1 93 93 LEU CB C 83 47.100 47.100 45.760 1.340 18547 4473 1 5 . 1 1 93 93 LEU H H 83 9.080 9.080 8.472 0.609 18547 4474 1 5 . 1 1 94 94 THR N N 84 124.200 124.200 122.448 1.752 18547 4475 1 5 . 1 1 94 94 THR HA H 84 5.340 5.340 4.979 0.361 18547 4476 1 5 . 1 1 94 94 THR C C 84 174.100 174.100 172.947 1.153 18547 4477 1 5 . 1 1 94 94 THR CA C 84 62.700 62.700 61.840 0.860 18547 4478 1 5 . 1 1 94 94 THR CB C 84 69.600 69.600 70.834 -1.234 18547 4479 1 5 . 1 1 94 94 THR H H 84 9.310 9.310 8.711 0.599 18547 4480 1 5 . 1 1 95 95 ILE N N 85 121.600 121.600 122.002 -0.402 18547 4481 1 5 . 1 1 95 95 ILE HA H 85 5.630 5.630 4.824 0.806 18547 4482 1 5 . 1 1 95 95 ILE C C 85 175.000 175.000 173.194 1.806 18547 4483 1 5 . 1 1 95 95 ILE CA C 85 59.300 59.300 59.086 0.214 18547 4484 1 5 . 1 1 95 95 ILE CB C 85 40.900 40.900 41.706 -0.805 18547 4485 1 5 . 1 1 95 95 ILE H H 85 9.700 9.700 9.247 0.453 18547 4486 1 5 . 1 1 96 96 SER N N 86 117.900 117.900 117.617 0.283 18547 4487 1 5 . 1 1 96 96 SER HA H 86 5.270 5.270 4.823 0.447 18547 4488 1 5 . 1 1 96 96 SER C C 86 172.200 172.200 173.813 -1.613 18547 4489 1 5 . 1 1 96 96 SER CA C 86 57.600 57.600 58.077 -0.477 18547 4490 1 5 . 1 1 96 96 SER CB C 86 65.700 65.700 64.779 0.921 18547 4491 1 5 . 1 1 96 96 SER H H 86 9.290 9.290 8.702 0.588 18547 4492 1 5 . 1 1 97 97 TRP N N 87 120.000 120.000 130.212 -10.212 18547 4493 1 5 . 1 1 97 97 TRP HA H 87 5.130 5.130 5.182 -0.052 18547 4494 1 5 . 1 1 97 97 TRP C C 87 175.500 175.500 173.580 1.920 18547 4495 1 5 . 1 1 97 97 TRP CA C 87 57.900 57.900 56.155 1.745 18547 4496 1 5 . 1 1 97 97 TRP CB C 87 31.500 31.500 31.404 0.096 18547 4497 1 5 . 1 1 97 97 TRP H H 87 7.790 7.790 8.775 -0.985 18547 4498 1 5 . 1 1 98 98 VAL N N 88 132.200 132.200 129.956 2.244 18547 4499 1 5 . 1 1 98 98 VAL HA H 88 4.460 4.460 4.166 0.294 18547 4500 1 5 . 1 1 98 98 VAL C C 88 175.100 175.100 174.877 0.223 18547 4501 1 5 . 1 1 98 98 VAL CA C 88 62.000 62.000 61.581 0.419 18547 4502 1 5 . 1 1 98 98 VAL CB C 88 32.500 32.500 31.400 1.100 18547 4503 1 5 . 1 1 98 98 VAL H H 88 9.620 9.620 8.394 1.226 18547 4504 1 5 . 1 1 99 99 TYR N N 89 130.300 130.300 128.376 1.924 18547 4505 1 5 . 1 1 99 99 TYR HA H 89 4.440 4.440 4.285 0.155 18547 4506 1 5 . 1 1 99 99 TYR C C 89 173.900 173.900 176.701 -2.801 18547 4507 1 5 . 1 1 99 99 TYR CA C 89 56.800 56.800 58.773 -1.973 18547 4508 1 5 . 1 1 99 99 TYR CB C 89 42.100 42.100 40.105 1.995 18547 4509 1 5 . 1 1 99 99 TYR H H 89 9.670 9.670 8.523 1.147 18547 4510 1 5 . 1 1 100 100 GLU N N 90 127.100 127.100 121.558 5.542 18547 4511 1 5 . 1 1 100 100 GLU HA H 90 3.940 3.940 4.069 -0.129 18547 4512 1 5 . 1 1 100 100 GLU C C 90 176.700 176.700 176.053 0.647 18547 4513 1 5 . 1 1 100 100 GLU CA C 90 58.300 58.300 57.394 0.906 18547 4514 1 5 . 1 1 100 100 GLU CB C 90 29.200 29.200 29.140 0.060 18547 4515 1 5 . 1 1 100 100 GLU H H 90 8.080 8.080 8.113 -0.033 18547 4516 1 5 . 1 1 101 101 GLY N N 91 113.100 113.100 107.390 5.710 18547 4517 1 5 . 1 1 101 101 GLY C C 91 173.900 173.900 173.492 0.408 18547 4518 1 5 . 1 1 101 101 GLY CA C 91 45.200 45.200 45.124 0.076 18547 4519 1 5 . 1 1 101 101 GLY H H 91 8.850 8.850 8.184 0.666 18547 4520 1 5 . 1 1 102 102 LYS N N 92 120.100 120.100 121.932 -1.832 18547 4521 1 5 . 1 1 102 102 LYS HA H 92 4.990 4.990 4.958 0.032 18547 4522 1 5 . 1 1 102 102 LYS CA C 92 52.500 52.500 52.983 -0.483 18547 4523 1 5 . 1 1 102 102 LYS CB C 92 33.200 33.200 34.335 -1.135 18547 4524 1 5 . 1 1 102 102 LYS H H 92 8.270 8.270 7.962 0.308 18547 4525 1 5 . 1 1 103 103 PRO HA H 93 4.620 4.620 4.601 0.019 18547 4526 1 5 . 1 1 103 103 PRO C C 93 176.700 176.700 175.977 0.723 18547 4527 1 5 . 1 1 103 103 PRO CA C 93 62.400 62.400 62.380 0.020 18547 4528 1 5 . 1 1 103 103 PRO CB C 93 31.400 31.400 31.108 0.292 18547 4529 1 5 . 1 1 104 104 ASP N N 94 124.500 124.500 119.314 5.186 18547 4530 1 5 . 1 1 104 104 ASP HA H 94 4.860 4.860 4.244 0.616 18547 4531 1 5 . 1 1 104 104 ASP C C 94 177.100 177.100 174.757 2.343 18547 4532 1 5 . 1 1 104 104 ASP CA C 94 55.900 55.900 55.928 -0.028 18547 4533 1 5 . 1 1 104 104 ASP CB C 94 40.500 40.500 41.105 -0.605 18547 4534 1 5 . 1 1 104 104 ASP H H 94 8.850 8.850 8.108 0.742 18547 4535 1 5 . 1 1 105 105 SER N N 95 118.600 118.600 115.960 2.640 18547 4536 1 5 . 1 1 105 105 SER HA H 95 5.280 5.280 5.099 0.181 18547 4537 1 5 . 1 1 105 105 SER C C 95 173.700 173.700 172.907 0.793 18547 4538 1 5 . 1 1 105 105 SER CA C 95 57.900 57.900 57.674 0.226 18547 4539 1 5 . 1 1 105 105 SER CB C 95 65.600 65.600 66.597 -0.997 18547 4540 1 5 . 1 1 105 105 SER H H 95 9.260 9.260 8.445 0.815 18547 4541 1 5 . 1 1 106 106 GLU N N 96 124.100 124.100 127.556 -3.456 18547 4542 1 5 . 1 1 106 106 GLU HA H 96 5.180 5.180 4.551 0.629 18547 4543 1 5 . 1 1 106 106 GLU C C 96 172.400 172.400 175.171 -2.771 18547 4544 1 5 . 1 1 106 106 GLU CA C 96 57.200 57.200 55.178 2.022 18547 4545 1 5 . 1 1 106 106 GLU CB C 96 36.100 36.100 30.454 5.646 18547 4546 1 5 . 1 1 106 106 GLU H H 96 8.620 8.620 8.543 0.077 18547 4547 1 5 . 1 1 107 107 VAL N N 97 128.100 128.100 127.737 0.363 18547 4548 1 5 . 1 1 107 107 VAL HA H 97 4.770 4.770 4.857 -0.087 18547 4549 1 5 . 1 1 107 107 VAL C C 97 173.100 173.100 174.355 -1.255 18547 4550 1 5 . 1 1 107 107 VAL CA C 97 60.100 60.100 60.461 -0.361 18547 4551 1 5 . 1 1 107 107 VAL CB C 97 34.200 34.200 33.854 0.346 18547 4552 1 5 . 1 1 107 107 VAL H H 97 9.180 9.180 8.122 1.058 18547 4553 1 5 . 1 1 108 108 GLU N N 98 126.200 126.200 124.269 1.931 18547 4554 1 5 . 1 1 108 108 GLU HA H 98 5.580 5.580 4.692 0.888 18547 4555 1 5 . 1 1 108 108 GLU C C 98 172.100 172.100 173.673 -1.573 18547 4556 1 5 . 1 1 108 108 GLU CA C 98 54.200 54.200 54.736 -0.536 18547 4557 1 5 . 1 1 108 108 GLU CB C 98 35.200 35.200 33.610 1.590 18547 4558 1 5 . 1 1 108 108 GLU H H 98 9.300 9.300 8.519 0.781 18547 4559 1 5 . 1 1 109 109 LEU N N 99 128.600 128.600 122.797 5.803 18547 4560 1 5 . 1 1 109 109 LEU HA H 99 5.080 5.080 5.045 0.035 18547 4561 1 5 . 1 1 109 109 LEU C C 99 175.100 175.100 175.494 -0.394 18547 4562 1 5 . 1 1 109 109 LEU CA C 99 52.700 52.700 53.347 -0.647 18547 4563 1 5 . 1 1 109 109 LEU CB C 99 46.400 46.400 46.208 0.192 18547 4564 1 5 . 1 1 109 109 LEU H H 99 9.330 9.330 8.421 0.909 18547 4565 1 5 . 1 1 110 110 ARG N N 100 124.700 124.700 124.352 0.348 18547 4566 1 5 . 1 1 110 110 ARG HA H 100 5.390 5.390 4.688 0.702 18547 4567 1 5 . 1 1 110 110 ARG C C 100 175.400 175.400 174.022 1.378 18547 4568 1 5 . 1 1 110 110 ARG CA C 100 54.600 54.600 54.928 -0.328 18547 4569 1 5 . 1 1 110 110 ARG CB C 100 34.100 34.100 32.583 1.517 18547 4570 1 5 . 1 1 110 110 ARG H H 100 9.430 9.430 8.444 0.986 18547 4571 1 5 . 1 1 111 111 LEU N N 101 122.900 122.900 128.706 -5.806 18547 4572 1 5 . 1 1 111 111 LEU HA H 101 5.620 5.620 5.571 0.049 18547 4573 1 5 . 1 1 111 111 LEU C C 101 177.100 177.100 175.251 1.849 18547 4574 1 5 . 1 1 111 111 LEU CA C 101 53.000 53.000 53.864 -0.863 18547 4575 1 5 . 1 1 111 111 LEU CB C 101 44.900 44.900 44.984 -0.084 18547 4576 1 5 . 1 1 111 111 LEU H H 101 9.120 9.120 8.315 0.805 18547 4577 1 5 . 1 1 112 112 SER N N 102 113.800 113.800 117.280 -3.480 18547 4578 1 5 . 1 1 112 112 SER HA H 102 4.690 4.690 4.737 -0.047 18547 4579 1 5 . 1 1 112 112 SER C C 102 172.700 172.700 173.358 -0.658 18547 4580 1 5 . 1 1 112 112 SER CA C 102 57.000 57.000 56.939 0.061 18547 4581 1 5 . 1 1 112 112 SER CB C 102 65.700 65.700 65.943 -0.243 18547 4582 1 5 . 1 1 112 112 SER H H 102 8.770 8.770 8.445 0.325 18547 4583 1 5 . 1 1 113 113 GLU N N 103 123.400 123.400 125.737 -2.337 18547 4584 1 5 . 1 1 113 113 GLU HA H 103 4.440 4.440 4.423 0.017 18547 4585 1 5 . 1 1 113 113 GLU C C 103 176.600 176.600 176.007 0.593 18547 4586 1 5 . 1 1 113 113 GLU CA C 103 57.500 57.500 57.408 0.092 18547 4587 1 5 . 1 1 113 113 GLU CB C 103 30.200 30.200 29.649 0.551 18547 4588 1 5 . 1 1 113 113 GLU H H 103 9.200 9.200 8.723 0.477 18547 4589 1 5 . 1 1 114 114 GLU N N 104 126.500 126.500 124.640 1.860 18547 4590 1 5 . 1 1 114 114 GLU HA H 104 4.450 4.450 4.489 -0.039 18547 4591 1 5 . 1 1 114 114 GLU C C 104 175.600 175.600 176.029 -0.429 18547 4592 1 5 . 1 1 114 114 GLU CA C 104 55.700 55.700 55.407 0.292 18547 4593 1 5 . 1 1 114 114 GLU CB C 104 31.300 31.300 31.199 0.101 18547 4594 1 5 . 1 1 114 114 GLU H H 104 8.110 8.110 8.231 -0.121 18547 4595 1 5 . 1 1 115 115 GLY N N 105 118.000 118.000 116.473 1.527 18547 4596 1 5 . 1 1 115 115 GLY C C 105 174.700 174.700 174.419 0.281 18547 4597 1 5 . 1 1 115 115 GLY CA C 105 47.100 47.100 45.853 1.247 18547 4598 1 5 . 1 1 115 115 GLY H H 105 9.030 9.030 8.551 0.479 18547 4599 1 5 . 1 1 116 116 ASP N N 106 126.200 126.200 125.158 1.042 18547 4600 1 5 . 1 1 116 116 ASP HA H 106 4.750 4.750 4.589 0.161 18547 4601 1 5 . 1 1 116 116 ASP C C 106 175.600 175.600 177.009 -1.409 18547 4602 1 5 . 1 1 116 116 ASP CA C 106 54.300 54.300 55.042 -0.742 18547 4603 1 5 . 1 1 116 116 ASP CB C 106 40.800 40.800 41.064 -0.264 18547 4604 1 5 . 1 1 116 116 ASP H H 106 8.800 8.800 8.727 0.073 18547 4605 1 5 . 1 1 117 117 GLY N N 107 109.500 109.500 105.517 3.983 18547 4606 1 5 . 1 1 117 117 GLY C C 107 174.400 174.400 173.356 1.044 18547 4607 1 5 . 1 1 117 117 GLY CA C 107 44.800 44.800 44.490 0.310 18547 4608 1 5 . 1 1 117 117 GLY H H 107 8.040 8.040 7.563 0.477 18547 4609 1 5 . 1 1 118 118 THR N N 108 120.400 120.400 115.464 4.936 18547 4610 1 5 . 1 1 118 118 THR HA H 108 4.970 4.970 4.849 0.121 18547 4611 1 5 . 1 1 118 118 THR C C 108 173.000 173.000 172.815 0.185 18547 4612 1 5 . 1 1 118 118 THR CA C 108 63.500 63.500 62.239 1.261 18547 4613 1 5 . 1 1 118 118 THR CB C 108 73.000 73.000 72.592 0.408 18547 4614 1 5 . 1 1 118 118 THR H H 108 9.010 9.010 8.194 0.816 18547 4615 1 5 . 1 1 119 119 LEU N N 109 129.000 129.000 126.222 2.778 18547 4616 1 5 . 1 1 119 119 LEU HA H 109 4.790 4.790 4.982 -0.192 18547 4617 1 5 . 1 1 119 119 LEU C C 109 173.500 173.500 174.275 -0.775 18547 4618 1 5 . 1 1 119 119 LEU CA C 109 54.300 54.300 53.508 0.792 18547 4619 1 5 . 1 1 119 119 LEU CB C 109 42.900 42.900 45.079 -2.179 18547 4620 1 5 . 1 1 119 119 LEU H H 109 9.410 9.410 8.859 0.551 18547 4621 1 5 . 1 1 120 120 LEU N N 110 132.200 132.200 128.967 3.233 18547 4622 1 5 . 1 1 120 120 LEU HA H 110 4.820 4.820 5.268 -0.448 18547 4623 1 5 . 1 1 120 120 LEU C C 110 174.100 174.100 175.095 -0.995 18547 4624 1 5 . 1 1 120 120 LEU CA C 110 54.900 54.900 53.817 1.083 18547 4625 1 5 . 1 1 120 120 LEU CB C 110 45.300 45.300 44.564 0.736 18547 4626 1 5 . 1 1 120 120 LEU H H 110 9.430 9.430 8.994 0.436 18547 4627 1 5 . 1 1 121 121 GLU N N 111 125.800 125.800 125.500 0.300 18547 4628 1 5 . 1 1 121 121 GLU HA H 111 5.530 5.530 4.690 0.840 18547 4629 1 5 . 1 1 121 121 GLU C C 111 173.500 173.500 174.524 -1.024 18547 4630 1 5 . 1 1 121 121 GLU CA C 111 54.500 54.500 55.090 -0.591 18547 4631 1 5 . 1 1 121 121 GLU CB C 111 33.100 33.100 32.115 0.985 18547 4632 1 5 . 1 1 121 121 GLU H H 111 8.970 8.970 8.779 0.191 18547 4633 1 5 . 1 1 122 122 LEU N N 112 127.300 127.300 127.157 0.143 18547 4634 1 5 . 1 1 122 122 LEU HA H 112 5.030 5.030 4.883 0.147 18547 4635 1 5 . 1 1 122 122 LEU C C 112 173.700 173.700 174.548 -0.848 18547 4636 1 5 . 1 1 122 122 LEU CA C 112 53.200 53.200 53.441 -0.241 18547 4637 1 5 . 1 1 122 122 LEU CB C 112 45.400 45.400 45.558 -0.158 18547 4638 1 5 . 1 1 122 122 LEU H H 112 8.950 8.950 8.664 0.286 18547 4639 1 5 . 1 1 123 123 GLU N N 113 127.900 127.900 125.152 2.748 18547 4640 1 5 . 1 1 123 123 GLU HA H 113 5.750 5.750 5.395 0.355 18547 4641 1 5 . 1 1 123 123 GLU C C 113 174.200 174.200 174.485 -0.285 18547 4642 1 5 . 1 1 123 123 GLU CA C 113 52.900 52.900 54.022 -1.122 18547 4643 1 5 . 1 1 123 123 GLU CB C 113 33.300 33.300 33.551 -0.251 18547 4644 1 5 . 1 1 123 123 GLU H H 113 9.350 9.350 8.727 0.623 18547 4645 1 5 . 1 1 124 124 HIS N N 114 128.200 128.200 125.765 2.435 18547 4646 1 5 . 1 1 124 124 HIS HA H 114 5.240 5.240 5.098 0.142 18547 4647 1 5 . 1 1 124 124 HIS C C 114 173.900 173.900 172.686 1.214 18547 4648 1 5 . 1 1 124 124 HIS CA C 114 54.300 54.300 55.018 -0.718 18547 4649 1 5 . 1 1 124 124 HIS CB C 114 34.600 34.600 33.372 1.228 18547 4650 1 5 . 1 1 124 124 HIS H H 114 8.770 8.770 8.366 0.404 18547 4651 1 5 . 1 1 125 125 ALA N N 115 128.600 128.600 130.977 -2.377 18547 4652 1 5 . 1 1 125 125 ALA HA H 115 5.150 5.150 5.610 -0.460 18547 4653 1 5 . 1 1 125 125 ALA C C 115 175.400 175.400 175.591 -0.191 18547 4654 1 5 . 1 1 125 125 ALA CA C 115 50.100 50.100 50.640 -0.540 18547 4655 1 5 . 1 1 125 125 ALA CB C 115 22.500 22.500 21.728 0.772 18547 4656 1 5 . 1 1 125 125 ALA H H 115 9.360 9.360 8.471 0.889 18547 4657 1 5 . 1 1 126 126 THR N N 116 115.800 115.800 118.949 -3.149 18547 4658 1 5 . 1 1 126 126 THR HA H 116 4.960 4.960 4.838 0.122 18547 4659 1 5 . 1 1 126 126 THR C C 116 172.200 172.200 175.550 -3.350 18547 4660 1 5 . 1 1 126 126 THR CA C 116 58.800 58.800 59.393 -0.593 18547 4661 1 5 . 1 1 126 126 THR CB C 116 69.200 69.200 70.788 -1.588 18547 4662 1 5 . 1 1 126 126 THR H H 116 8.760 8.760 8.112 0.648 18547 4663 1 5 . 1 1 127 127 THR N N 117 116.000 116.000 114.965 1.035 18547 4664 1 5 . 1 1 127 127 THR HA H 117 4.390 4.390 4.250 0.140 18547 4665 1 5 . 1 1 127 127 THR C C 117 174.400 174.400 175.409 -1.009 18547 4666 1 5 . 1 1 127 127 THR CA C 117 62.900 62.900 63.847 -0.947 18547 4667 1 5 . 1 1 127 127 THR CB C 117 68.800 68.800 69.080 -0.280 18547 4668 1 5 . 1 1 127 127 THR H H 117 8.460 8.460 8.850 -0.390 18547 4669 1 5 . 1 1 128 128 SER N N 118 116.400 116.400 117.311 -0.911 18547 4670 1 5 . 1 1 128 128 SER HA H 118 4.890 4.890 4.477 0.413 18547 4671 1 5 . 1 1 128 128 SER C C 118 174.700 174.700 175.171 -0.471 18547 4672 1 5 . 1 1 128 128 SER CA C 118 55.400 55.400 56.924 -1.524 18547 4673 1 5 . 1 1 128 128 SER CB C 118 63.000 63.000 63.745 -0.745 18547 4674 1 5 . 1 1 128 128 SER H H 118 7.730 7.730 7.543 0.187 18547 4675 1 5 . 1 1 129 129 GLU N N 119 130.300 130.300 128.426 1.874 18547 4676 1 5 . 1 1 129 129 GLU HA H 119 3.940 3.940 3.950 -0.010 18547 4677 1 5 . 1 1 129 129 GLU C C 119 178.400 178.400 178.502 -0.102 18547 4678 1 5 . 1 1 129 129 GLU CA C 119 59.900 59.900 59.776 0.124 18547 4679 1 5 . 1 1 129 129 GLU CB C 119 29.700 29.700 29.586 0.114 18547 4680 1 5 . 1 1 129 129 GLU H H 119 9.000 9.000 9.015 -0.015 18547 4681 1 5 . 1 1 130 130 GLN N N 120 117.300 117.300 118.212 -0.912 18547 4682 1 5 . 1 1 130 130 GLN HA H 120 4.120 4.120 4.032 0.088 18547 4683 1 5 . 1 1 130 130 GLN C C 120 177.900 177.900 178.421 -0.521 18547 4684 1 5 . 1 1 130 130 GLN CA C 120 58.400 58.400 58.321 0.079 18547 4685 1 5 . 1 1 130 130 GLN CB C 120 28.000 28.000 28.441 -0.441 18547 4686 1 5 . 1 1 130 130 GLN H H 120 8.410 8.410 8.042 0.368 18547 4687 1 5 . 1 1 131 131 MET N N 121 118.300 118.300 119.785 -1.485 18547 4688 1 5 . 1 1 131 131 MET HA H 121 4.240 4.240 4.015 0.225 18547 4689 1 5 . 1 1 131 131 MET C C 121 176.400 176.400 177.780 -1.380 18547 4690 1 5 . 1 1 131 131 MET CA C 121 57.300 57.300 57.719 -0.419 18547 4691 1 5 . 1 1 131 131 MET CB C 121 32.400 32.400 32.243 0.157 18547 4692 1 5 . 1 1 131 131 MET H H 121 7.640 7.640 7.572 0.068 18547 4693 1 5 . 1 1 132 132 LEU N N 122 118.700 118.700 119.130 -0.430 18547 4694 1 5 . 1 1 132 132 LEU HA H 122 3.630 3.630 3.731 -0.101 18547 4695 1 5 . 1 1 132 132 LEU C C 122 177.100 177.100 179.506 -2.406 18547 4696 1 5 . 1 1 132 132 LEU CA C 122 58.300 58.300 57.895 0.405 18547 4697 1 5 . 1 1 132 132 LEU CB C 122 41.900 41.900 41.571 0.329 18547 4698 1 5 . 1 1 132 132 LEU H H 122 7.470 7.470 7.909 -0.439 18547 4699 1 5 . 1 1 133 133 VAL N N 123 114.600 114.600 117.688 -3.088 18547 4700 1 5 . 1 1 133 133 VAL HA H 123 3.360 3.360 3.617 -0.257 18547 4701 1 5 . 1 1 133 133 VAL C C 123 176.700 176.700 178.035 -1.335 18547 4702 1 5 . 1 1 133 133 VAL CA C 123 66.600 66.600 66.546 0.054 18547 4703 1 5 . 1 1 133 133 VAL CB C 123 31.800 31.800 31.708 0.092 18547 4704 1 5 . 1 1 133 133 VAL H H 123 7.040 7.040 7.884 -0.844 18547 4705 1 5 . 1 1 134 134 GLU N N 124 116.700 116.700 120.413 -3.713 18547 4706 1 5 . 1 1 134 134 GLU HA H 124 3.900 3.900 3.966 -0.066 18547 4707 1 5 . 1 1 134 134 GLU C C 124 180.700 180.700 178.829 1.871 18547 4708 1 5 . 1 1 134 134 GLU CA C 124 59.300 59.300 59.159 0.141 18547 4709 1 5 . 1 1 134 134 GLU CB C 124 29.900 29.900 29.385 0.515 18547 4710 1 5 . 1 1 134 134 GLU H H 124 7.200 7.200 7.667 -0.467 18547 4711 1 5 . 1 1 135 135 VAL N N 125 114.700 114.700 115.261 -0.561 18547 4712 1 5 . 1 1 135 135 VAL HA H 125 3.930 3.930 3.762 0.168 18547 4713 1 5 . 1 1 135 135 VAL C C 125 177.900 177.900 177.950 -0.050 18547 4714 1 5 . 1 1 135 135 VAL CA C 125 63.800 63.800 65.274 -1.474 18547 4715 1 5 . 1 1 135 135 VAL CB C 125 30.400 30.400 30.087 0.313 18547 4716 1 5 . 1 1 135 135 VAL H H 125 8.620 8.620 8.326 0.294 18547 4717 1 5 . 1 1 136 136 GLY N N 126 112.200 112.200 108.403 3.797 18547 4718 1 5 . 1 1 136 136 GLY C C 126 174.800 174.800 175.480 -0.680 18547 4719 1 5 . 1 1 136 136 GLY CA C 126 47.200 47.200 46.763 0.438 18547 4720 1 5 . 1 1 136 136 GLY H H 126 7.750 7.750 7.719 0.031 18547 4721 1 5 . 1 1 137 137 VAL N N 127 119.100 119.100 122.128 -3.028 18547 4722 1 5 . 1 1 137 137 VAL HA H 127 3.510 3.510 3.950 -0.440 18547 4723 1 5 . 1 1 137 137 VAL C C 127 179.100 179.100 177.812 1.288 18547 4724 1 5 . 1 1 137 137 VAL CA C 127 67.400 67.400 65.880 1.520 18547 4725 1 5 . 1 1 137 137 VAL CB C 127 32.500 32.500 31.547 0.953 18547 4726 1 5 . 1 1 137 137 VAL H H 127 7.680 7.680 7.047 0.633 18547 4727 1 5 . 1 1 138 138 GLY N N 128 106.300 106.300 107.398 -1.098 18547 4728 1 5 . 1 1 138 138 GLY C C 128 177.900 177.900 176.030 1.870 18547 4729 1 5 . 1 1 138 138 GLY CA C 128 47.300 47.300 47.211 0.090 18547 4730 1 5 . 1 1 138 138 GLY H H 128 8.210 8.210 8.016 0.194 18547 4731 1 5 . 1 1 139 139 TRP N N 129 122.500 122.500 121.548 0.952 18547 4732 1 5 . 1 1 139 139 TRP HA H 129 4.890 4.890 4.537 0.353 18547 4733 1 5 . 1 1 139 139 TRP C C 129 179.100 179.100 178.207 0.893 18547 4734 1 5 . 1 1 139 139 TRP CA C 129 59.800 59.800 59.519 0.281 18547 4735 1 5 . 1 1 139 139 TRP CB C 129 30.100 30.100 29.782 0.318 18547 4736 1 5 . 1 1 139 139 TRP H H 129 8.880 8.880 8.095 0.785 18547 4737 1 5 . 1 1 140 140 GLU N N 130 119.000 119.000 119.272 -0.272 18547 4738 1 5 . 1 1 140 140 GLU HA H 130 4.020 4.020 4.018 0.002 18547 4739 1 5 . 1 1 140 140 GLU C C 130 179.300 179.300 179.167 0.133 18547 4740 1 5 . 1 1 140 140 GLU CA C 130 62.900 62.900 59.950 2.950 18547 4741 1 5 . 1 1 140 140 GLU CB C 130 30.600 30.600 29.584 1.016 18547 4742 1 5 . 1 1 140 140 GLU H H 130 8.210 8.210 7.868 0.342 18547 4743 1 5 . 1 1 141 141 MET N N 131 117.100 117.100 118.208 -1.108 18547 4744 1 5 . 1 1 141 141 MET HA H 131 4.330 4.330 4.245 0.085 18547 4745 1 5 . 1 1 141 141 MET C C 131 178.500 178.500 178.575 -0.075 18547 4746 1 5 . 1 1 141 141 MET CA C 131 57.700 57.700 57.106 0.594 18547 4747 1 5 . 1 1 141 141 MET CB C 131 30.600 30.600 31.549 -0.949 18547 4748 1 5 . 1 1 141 141 MET H H 131 8.210 8.210 8.419 -0.209 18547 4749 1 5 . 1 1 142 142 ALA N N 132 121.400 121.400 124.355 -2.955 18547 4750 1 5 . 1 1 142 142 ALA HA H 132 4.720 4.720 4.846 -0.126 18547 4751 1 5 . 1 1 142 142 ALA C C 132 180.900 180.900 180.734 0.166 18547 4752 1 5 . 1 1 142 142 ALA CA C 132 55.700 55.700 55.409 0.291 18547 4753 1 5 . 1 1 142 142 ALA CB C 132 18.200 18.200 18.935 -0.735 18547 4754 1 5 . 1 1 142 142 ALA H H 132 7.910 7.910 8.088 -0.178 18547 4755 1 5 . 1 1 143 143 LEU N N 133 117.200 117.200 116.501 0.699 18547 4756 1 5 . 1 1 143 143 LEU HA H 133 4.150 4.150 4.312 -0.162 18547 4757 1 5 . 1 1 143 143 LEU C C 133 180.300 180.300 179.122 1.178 18547 4758 1 5 . 1 1 143 143 LEU CA C 133 57.300 57.300 56.583 0.717 18547 4759 1 5 . 1 1 143 143 LEU CB C 133 40.600 40.600 40.538 0.062 18547 4760 1 5 . 1 1 143 143 LEU H H 133 9.190 9.190 8.700 0.490 18547 4761 1 5 . 1 1 144 144 ASP N N 134 122.600 122.600 122.399 0.201 18547 4762 1 5 . 1 1 144 144 ASP HA H 134 4.580 4.580 4.376 0.204 18547 4763 1 5 . 1 1 144 144 ASP C C 134 179.900 179.900 178.498 1.402 18547 4764 1 5 . 1 1 144 144 ASP CA C 134 57.800 57.800 57.751 0.049 18547 4765 1 5 . 1 1 144 144 ASP CB C 134 39.800 39.800 40.903 -1.103 18547 4766 1 5 . 1 1 144 144 ASP H H 134 7.930 7.930 8.029 -0.099 18547 4767 1 5 . 1 1 145 145 PHE N N 135 119.300 119.300 117.772 1.528 18547 4768 1 5 . 1 1 145 145 PHE HA H 135 4.580 4.580 4.481 0.099 18547 4769 1 5 . 1 1 145 145 PHE C C 135 178.000 178.000 178.150 -0.150 18547 4770 1 5 . 1 1 145 145 PHE CA C 135 61.700 61.700 61.201 0.499 18547 4771 1 5 . 1 1 145 145 PHE CB C 135 39.400 39.400 39.112 0.288 18547 4772 1 5 . 1 1 145 145 PHE H H 135 7.690 7.690 8.491 -0.801 18547 4773 1 5 . 1 1 146 146 LEU N N 136 124.400 124.400 122.915 1.485 18547 4774 1 5 . 1 1 146 146 LEU HA H 136 3.200 3.200 4.274 -1.074 18547 4775 1 5 . 1 1 146 146 LEU C C 136 178.800 178.800 178.290 0.510 18547 4776 1 5 . 1 1 146 146 LEU CA C 136 58.400 58.400 57.114 1.286 18547 4777 1 5 . 1 1 146 146 LEU CB C 136 38.800 38.800 41.005 -2.205 18547 4778 1 5 . 1 1 146 146 LEU H H 136 7.930 7.930 8.107 -0.177 18547 4779 1 5 . 1 1 147 147 GLY N N 137 104.200 104.200 106.803 -2.603 18547 4780 1 5 . 1 1 147 147 GLY C C 137 176.100 176.100 176.145 -0.045 18547 4781 1 5 . 1 1 147 147 GLY CA C 137 47.900 47.900 47.561 0.339 18547 4782 1 5 . 1 1 147 147 GLY H H 137 8.340 8.340 8.300 0.040 18547 4783 1 5 . 1 1 148 148 MET N N 138 119.300 119.300 119.805 -0.505 18547 4784 1 5 . 1 1 148 148 MET HA H 138 4.090 4.090 4.345 -0.255 18547 4785 1 5 . 1 1 148 148 MET C C 138 177.700 177.700 177.703 -0.003 18547 4786 1 5 . 1 1 148 148 MET CA C 138 59.400 59.400 58.281 1.119 18547 4787 1 5 . 1 1 148 148 MET CB C 138 34.500 34.500 32.904 1.596 18547 4788 1 5 . 1 1 148 148 MET H H 138 7.550 7.550 7.900 -0.350 18547 4789 1 5 . 1 1 149 149 PHE N N 139 120.400 120.400 121.696 -1.296 18547 4790 1 5 . 1 1 149 149 PHE HA H 139 4.380 4.380 4.327 0.053 18547 4791 1 5 . 1 1 149 149 PHE C C 139 179.100 179.100 176.790 2.310 18547 4792 1 5 . 1 1 149 149 PHE CA C 139 60.800 60.800 60.943 -0.143 18547 4793 1 5 . 1 1 149 149 PHE CB C 139 39.200 39.200 39.031 0.169 18547 4794 1 5 . 1 1 149 149 PHE H H 139 8.600 8.600 7.811 0.789 18547 4795 1 5 . 1 1 150 150 ILE N N 140 121.300 121.300 117.260 4.040 18547 4796 1 5 . 1 1 150 150 ILE HA H 140 3.420 3.420 3.489 -0.069 18547 4797 1 5 . 1 1 150 150 ILE C C 140 177.500 177.500 176.844 0.656 18547 4798 1 5 . 1 1 150 150 ILE CA C 140 63.100 63.100 64.072 -0.972 18547 4799 1 5 . 1 1 150 150 ILE CB C 140 37.100 37.100 38.549 -1.449 18547 4800 1 5 . 1 1 150 150 ILE H H 140 8.780 8.780 7.944 0.836 18547 4801 1 5 . 1 1 151 151 ARG N N 141 116.500 116.500 118.733 -2.233 18547 4802 1 5 . 1 1 151 151 ARG HA H 141 4.220 4.220 4.449 -0.229 18547 4803 1 5 . 1 1 151 151 ARG C C 141 176.700 176.700 175.247 1.453 18547 4804 1 5 . 1 1 151 151 ARG CA C 141 57.500 57.500 55.622 1.878 18547 4805 1 5 . 1 1 151 151 ARG CB C 141 31.500 31.500 31.680 -0.180 18547 4806 1 5 . 1 1 151 151 ARG H H 141 7.730 7.730 7.961 -0.231 18547 4807 1 5 . 1 1 152 152 GLY N N 142 106.800 106.800 107.360 -0.560 18547 4808 1 5 . 1 1 152 152 GLY C C 142 174.900 174.900 173.935 0.965 18547 4809 1 5 . 1 1 152 152 GLY CA C 142 45.700 45.700 44.862 0.838 18547 4810 1 5 . 1 1 152 152 GLY H H 142 7.570 7.570 7.768 -0.198 18547 4811 1 5 . 1 1 153 153 ASP N N 143 119.400 119.400 119.276 0.124 18547 4812 1 5 . 1 1 153 153 ASP HA H 143 4.780 4.780 4.321 0.459 18547 4813 1 5 . 1 1 153 153 ASP C C 143 175.400 175.400 175.731 -0.331 18547 4814 1 5 . 1 1 153 153 ASP CA C 143 54.200 54.200 55.077 -0.877 18547 4815 1 5 . 1 1 153 153 ASP CB C 143 42.100 42.100 38.829 3.271 18547 4816 1 5 . 1 1 153 153 ASP H H 143 8.290 8.290 7.987 0.303 18547 4817 1 5 . 1 1 154 154 LEU N N 144 121.300 121.300 119.093 2.207 18547 4818 1 5 . 1 1 154 154 LEU HA H 144 4.810 4.810 4.747 0.063 18547 4819 1 5 . 1 1 154 154 LEU CA C 144 52.800 52.800 53.770 -0.970 18547 4820 1 5 . 1 1 154 154 LEU CB C 144 42.500 42.500 41.345 1.155 18547 4821 1 5 . 1 1 154 154 LEU H H 144 8.010 8.010 7.831 0.179 18547 4822 1 5 . 1 1 155 155 PRO HA H 145 4.480 4.480 4.456 0.024 18547 4823 1 5 . 1 1 155 155 PRO C C 145 177.600 177.600 177.419 0.181 18547 4824 1 5 . 1 1 155 155 PRO CA C 145 63.500 63.500 63.569 -0.069 18547 4825 1 5 . 1 1 155 155 PRO CB C 145 32.200 32.200 31.829 0.371 18547 4826 1 5 . 1 1 156 156 GLY N N 146 108.900 108.900 106.621 2.279 18547 4827 1 5 . 1 1 156 156 GLY C C 146 174.300 174.300 174.832 -0.532 18547 4828 1 5 . 1 1 156 156 GLY CA C 146 45.100 45.100 44.897 0.203 18547 4829 1 5 . 1 1 156 156 GLY H H 146 8.530 8.530 8.211 0.319 18547 4830 1 5 . 1 1 157 157 GLY N N 147 108.800 108.800 107.738 1.062 18547 4831 1 5 . 1 1 157 157 GLY CA C 147 44.500 44.500 44.100 0.400 18547 4832 1 5 . 1 1 157 157 GLY H H 147 8.080 8.080 8.033 0.047 18547 4833 1 5 . 1 1 158 158 PRO HA H 148 4.440 4.440 4.527 -0.087 18547 4834 1 5 . 1 1 158 158 PRO C C 148 176.800 176.800 176.191 0.609 18547 4835 1 5 . 1 1 158 158 PRO CA C 148 63.000 63.000 62.564 0.436 18547 4836 1 5 . 1 1 158 158 PRO CB C 148 32.100 32.100 31.966 0.134 18547 4837 1 5 . 1 1 159 159 VAL N N 149 121.400 121.400 124.307 -2.907 18547 4838 1 5 . 1 1 159 159 VAL HA H 149 4.390 4.390 4.210 0.180 18547 4839 1 5 . 1 1 159 159 VAL CA C 149 59.800 59.800 60.360 -0.560 18547 4840 1 5 . 1 1 159 159 VAL CB C 149 32.600 32.600 31.667 0.933 18547 4841 1 5 . 1 1 159 159 VAL H H 149 8.220 8.220 8.032 0.188 18547 4842 1 5 . 1 1 160 160 PRO HA H 150 4.380 4.380 4.379 0.001 18547 4843 1 5 . 1 1 160 160 PRO C C 150 177.200 177.200 177.082 0.118 18547 4844 1 5 . 1 1 160 160 PRO CA C 150 63.300 63.300 64.676 -1.376 18547 4845 1 5 . 1 1 160 160 PRO CB C 150 32.100 32.100 32.285 -0.186 18547 4846 1 5 . 1 1 161 161 GLU N N 151 120.700 120.700 120.476 0.224 18547 4847 1 5 . 1 1 161 161 GLU HA H 151 4.170 4.170 4.495 -0.325 18547 4848 1 5 . 1 1 161 161 GLU CA C 151 57.400 57.400 55.838 1.562 18547 4849 1 5 . 1 1 161 161 GLU CB C 151 29.900 29.900 29.456 0.444 18547 4850 1 5 . 1 1 161 161 GLU H H 151 8.620 8.620 8.018 0.602 18547 4851 1 5 . 1 1 162 162 ASP N N 152 119.900 119.900 120.575 -0.675 18547 4852 1 5 . 1 1 162 162 ASP HA H 152 4.570 4.570 4.618 -0.048 18547 4853 1 5 . 1 1 162 162 ASP C C 152 176.000 176.000 177.257 -1.257 18547 4854 1 5 . 1 1 162 162 ASP CA C 152 54.200 54.200 55.209 -1.009 18547 4855 1 5 . 1 1 162 162 ASP CB C 152 41.000 41.000 41.256 -0.256 18547 4856 1 5 . 1 1 162 162 ASP H H 152 8.250 8.250 8.644 -0.394 18547 4857 1 5 . 1 1 163 163 ALA N N 153 124.000 124.000 122.921 1.079 18547 4858 1 5 . 1 1 163 163 ALA HA H 153 4.270 4.270 4.061 0.209 18547 4859 1 5 . 1 1 163 163 ALA C C 153 177.400 177.400 177.230 0.170 18547 4860 1 5 . 1 1 163 163 ALA CA C 153 52.700 52.700 54.218 -1.518 18547 4861 1 5 . 1 1 163 163 ALA CB C 153 19.200 19.200 18.887 0.313 18547 4862 1 5 . 1 1 163 163 ALA H H 153 8.040 8.040 8.123 -0.083 18547 4863 1 5 . 1 1 164 164 ALA N N 154 122.600 122.600 115.889 6.711 18547 4864 1 5 . 1 1 164 164 ALA HA H 154 4.260 4.260 4.482 -0.222 18547 4865 1 5 . 1 1 164 164 ALA C C 154 177.900 177.900 175.779 2.121 18547 4866 1 5 . 1 1 164 164 ALA CA C 154 52.600 52.600 51.934 0.665 18547 4867 1 5 . 1 1 164 164 ALA CB C 154 19.300 19.300 20.598 -1.298 18547 4868 1 5 . 1 1 164 164 ALA H H 154 8.190 8.190 7.663 0.527 18547 4869 1 5 . 1 1 165 165 GLU N N 155 119.400 119.400 117.648 1.752 18547 4870 1 5 . 1 1 165 165 GLU HA H 155 4.220 4.220 4.309 -0.089 18547 4871 1 5 . 1 1 165 165 GLU C C 155 176.200 176.200 175.000 1.200 18547 4872 1 5 . 1 1 165 165 GLU CA C 155 56.500 56.500 57.276 -0.776 18547 4873 1 5 . 1 1 165 165 GLU CB C 155 30.300 30.300 29.705 0.595 18547 4874 1 5 . 1 1 165 165 GLU H H 155 8.190 8.190 8.487 -0.297 18547 4875 1 5 . 1 1 166 166 GLU N N 156 121.000 121.000 120.803 0.197 18547 4876 1 5 . 1 1 166 166 GLU HA H 156 4.240 4.240 4.464 -0.224 18547 4877 1 5 . 1 1 166 166 GLU C C 156 175.800 175.800 175.011 0.789 18547 4878 1 5 . 1 1 166 166 GLU CA C 156 56.300 56.300 56.234 0.065 18547 4879 1 5 . 1 1 166 166 GLU CB C 156 30.300 30.300 30.611 -0.311 18547 4880 1 5 . 1 1 166 166 GLU H H 156 8.230 8.230 9.061 -0.831 18547 4881 1 5 . 1 1 167 167 PHE N N 157 121.400 121.400 120.981 0.419 18547 4882 1 5 . 1 1 167 167 PHE HA H 157 4.590 4.590 4.427 0.163 18547 4883 1 5 . 1 1 167 167 PHE C C 157 175.100 175.100 176.914 -1.814 18547 4884 1 5 . 1 1 167 167 PHE CA C 157 57.700 57.700 60.445 -2.745 18547 4885 1 5 . 1 1 167 167 PHE CB C 157 39.900 39.900 39.664 0.236 18547 4886 1 5 . 1 1 167 167 PHE H H 157 8.240 8.240 8.797 -0.557 18547 4887 1 5 . 1 1 168 168 GLU N N 158 124.400 124.400 113.900 10.500 18547 4888 1 5 . 1 1 168 168 GLU HA H 158 4.600 4.600 4.515 0.085 18547 4889 1 5 . 1 1 168 168 GLU CA C 158 53.700 53.700 56.480 -2.780 18547 4890 1 5 . 1 1 168 168 GLU CB C 158 30.400 30.400 29.066 1.334 18547 4891 1 5 . 1 1 168 168 GLU H H 158 8.130 8.130 8.457 -0.327 18547 4892 1 5 . 1 1 169 169 PRO HA H 159 4.460 4.460 4.320 0.140 18547 4893 1 5 . 1 1 169 169 PRO C C 159 176.200 176.200 177.208 -1.008 18547 4894 1 5 . 1 1 169 169 PRO CA C 159 62.800 62.800 64.081 -1.281 18547 4895 1 5 . 1 1 169 169 PRO CB C 159 32.300 32.300 32.047 0.253 18547 4896 1 5 . 1 1 170 170 SER N N 160 118.600 118.600 112.520 6.080 18547 4897 1 5 . 1 1 170 170 SER HA H 160 4.780 4.780 4.839 -0.059 18547 4898 1 5 . 1 1 170 170 SER CA C 160 56.200 56.200 54.964 1.236 18547 4899 1 5 . 1 1 170 170 SER CB C 160 63.200 63.200 63.814 -0.614 18547 4900 1 5 . 1 1 170 170 SER H H 160 8.290 8.290 8.099 0.191 18547 4901 1 5 . 1 1 171 171 PRO HA H 161 4.350 4.350 4.390 -0.040 18547 4902 1 5 . 1 1 171 171 PRO C C 161 179.400 179.400 178.452 0.948 18547 4903 1 5 . 1 1 171 171 PRO CA C 161 65.500 65.500 64.734 0.766 18547 4904 1 5 . 1 1 171 171 PRO CB C 161 31.700 31.700 31.996 -0.296 18547 4905 1 5 . 1 1 172 172 GLU N N 162 118.300 118.300 119.943 -1.643 18547 4906 1 5 . 1 1 172 172 GLU HA H 162 4.160 4.160 4.109 0.051 18547 4907 1 5 . 1 1 172 172 GLU C C 162 178.300 178.300 178.219 0.081 18547 4908 1 5 . 1 1 172 172 GLU CA C 162 59.300 59.300 59.359 -0.059 18547 4909 1 5 . 1 1 172 172 GLU CB C 162 29.400 29.400 28.932 0.468 18547 4910 1 5 . 1 1 172 172 GLU H H 162 8.540 8.540 8.547 -0.007 18547 4911 1 5 . 1 1 173 173 MET N N 163 119.400 119.400 118.841 0.559 18547 4912 1 5 . 1 1 173 173 MET HA H 163 4.260 4.260 4.282 -0.022 18547 4913 1 5 . 1 1 173 173 MET C C 163 179.200 179.200 178.026 1.174 18547 4914 1 5 . 1 1 173 173 MET CA C 163 58.200 58.200 56.628 1.572 18547 4915 1 5 . 1 1 173 173 MET CB C 163 32.500 32.500 32.329 0.171 18547 4916 1 5 . 1 1 173 173 MET H H 163 7.830 7.830 7.557 0.273 18547 4917 1 5 . 1 1 174 174 MET N N 164 119.300 119.300 119.898 -0.598 18547 4918 1 5 . 1 1 174 174 MET HA H 164 4.260 4.260 4.415 -0.155 18547 4919 1 5 . 1 1 174 174 MET C C 164 178.600 178.600 178.585 0.015 18547 4920 1 5 . 1 1 174 174 MET CA C 164 58.200 58.200 59.404 -1.204 18547 4921 1 5 . 1 1 174 174 MET CB C 164 31.900 31.900 32.333 -0.433 18547 4922 1 5 . 1 1 174 174 MET H H 164 8.320 8.320 8.236 0.084 18547 4923 1 5 . 1 1 175 175 ARG N N 165 121.200 121.200 119.466 1.734 18547 4924 1 5 . 1 1 175 175 ARG HA H 165 4.160 4.160 4.081 0.079 18547 4925 1 5 . 1 1 175 175 ARG C C 165 178.800 178.800 178.612 0.188 18547 4926 1 5 . 1 1 175 175 ARG CA C 165 59.400 59.400 58.800 0.600 18547 4927 1 5 . 1 1 175 175 ARG CB C 165 29.900 29.900 29.529 0.371 18547 4928 1 5 . 1 1 175 175 ARG H H 165 8.020 8.020 7.646 0.374 18547 4929 1 5 . 1 1 176 176 ILE N N 166 120.500 120.500 118.743 1.757 18547 4930 1 5 . 1 1 176 176 ILE HA H 166 3.920 3.920 3.612 0.308 18547 4931 1 5 . 1 1 176 176 ILE C C 166 178.500 178.500 178.077 0.423 18547 4932 1 5 . 1 1 176 176 ILE CA C 166 64.500 64.500 65.370 -0.870 18547 4933 1 5 . 1 1 176 176 ILE CB C 166 37.900 37.900 37.663 0.237 18547 4934 1 5 . 1 1 176 176 ILE H H 166 8.110 8.110 8.225 -0.115 18547 4935 1 5 . 1 1 177 177 SER N N 167 116.300 116.300 115.215 1.085 18547 4936 1 5 . 1 1 177 177 SER HA H 167 4.240 4.240 4.180 0.060 18547 4937 1 5 . 1 1 177 177 SER C C 167 177.300 177.300 176.935 0.365 18547 4938 1 5 . 1 1 177 177 SER CA C 167 62.500 62.500 61.583 0.917 18547 4939 1 5 . 1 1 177 177 SER CB C 167 62.800 62.800 63.197 -0.397 18547 4940 1 5 . 1 1 177 177 SER H H 167 8.290 8.290 7.884 0.406 18547 4941 1 5 . 1 1 178 178 GLN N N 168 123.300 123.300 121.964 1.336 18547 4942 1 5 . 1 1 178 178 GLN HA H 168 4.110 4.110 3.982 0.128 18547 4943 1 5 . 1 1 178 178 GLN C C 168 178.600 178.600 178.635 -0.035 18547 4944 1 5 . 1 1 178 178 GLN CA C 168 59.200 59.200 58.757 0.443 18547 4945 1 5 . 1 1 178 178 GLN CB C 168 28.000 28.000 27.929 0.071 18547 4946 1 5 . 1 1 178 178 GLN H H 168 8.080 8.080 7.772 0.308 18547 4947 1 5 . 1 1 179 179 GLU N N 169 121.200 121.200 118.488 2.712 18547 4948 1 5 . 1 1 179 179 GLU HA H 169 4.090 4.090 3.941 0.149 18547 4949 1 5 . 1 1 179 179 GLU C C 169 180.500 180.500 179.454 1.046 18547 4950 1 5 . 1 1 179 179 GLU CA C 169 59.500 59.500 59.144 0.356 18547 4951 1 5 . 1 1 179 179 GLU CB C 169 29.700 29.700 28.934 0.766 18547 4952 1 5 . 1 1 179 179 GLU H H 169 8.380 8.380 8.262 0.118 18547 4953 1 5 . 1 1 180 180 ARG N N 170 120.800 120.800 118.720 2.080 18547 4954 1 5 . 1 1 180 180 ARG HA H 170 4.010 4.010 4.469 -0.459 18547 4955 1 5 . 1 1 180 180 ARG C C 170 178.100 178.100 179.115 -1.015 18547 4956 1 5 . 1 1 180 180 ARG CA C 170 59.900 59.900 58.220 1.680 18547 4957 1 5 . 1 1 180 180 ARG CB C 170 30.600 30.600 30.033 0.567 18547 4958 1 5 . 1 1 180 180 ARG H H 170 8.670 8.670 7.779 0.891 18547 4959 1 5 . 1 1 181 181 GLY N N 171 108.200 108.200 106.951 1.249 18547 4960 1 5 . 1 1 181 181 GLY C C 171 176.600 176.600 176.600 0.000 18547 4961 1 5 . 1 1 181 181 GLY CA C 171 47.800 47.800 46.630 1.170 18547 4962 1 5 . 1 1 181 181 GLY H H 171 8.550 8.550 8.425 0.125 18547 4963 1 5 . 1 1 182 182 GLU N N 172 121.900 121.900 121.794 0.106 18547 4964 1 5 . 1 1 182 182 GLU HA H 172 4.110 4.110 3.967 0.143 18547 4965 1 5 . 1 1 182 182 GLU C C 172 179.300 179.300 178.798 0.502 18547 4966 1 5 . 1 1 182 182 GLU CA C 172 59.300 59.300 58.833 0.467 18547 4967 1 5 . 1 1 182 182 GLU CB C 172 29.300 29.300 28.932 0.368 18547 4968 1 5 . 1 1 182 182 GLU H H 172 8.190 8.190 8.580 -0.390 18547 4969 1 5 . 1 1 183 183 ALA N N 173 123.500 123.500 122.428 1.072 18547 4970 1 5 . 1 1 183 183 ALA HA H 173 4.150 4.150 3.924 0.226 18547 4971 1 5 . 1 1 183 183 ALA C C 173 181.500 181.500 179.467 2.033 18547 4972 1 5 . 1 1 183 183 ALA CA C 173 55.000 55.000 54.757 0.243 18547 4973 1 5 . 1 1 183 183 ALA CB C 173 17.100 17.100 17.835 -0.735 18547 4974 1 5 . 1 1 183 183 ALA H H 173 7.800 7.800 7.465 0.335 18547 4975 1 5 . 1 1 184 184 TRP N N 174 118.100 118.100 117.954 0.146 18547 4976 1 5 . 1 1 184 184 TRP HA H 174 4.540 4.540 4.265 0.275 18547 4977 1 5 . 1 1 184 184 TRP C C 174 178.500 178.500 178.684 -0.184 18547 4978 1 5 . 1 1 184 184 TRP CA C 174 60.600 60.600 59.746 0.854 18547 4979 1 5 . 1 1 184 184 TRP CB C 174 30.800 30.800 29.193 1.607 18547 4980 1 5 . 1 1 184 184 TRP H H 174 8.400 8.400 7.514 0.886 18547 4981 1 5 . 1 1 185 185 ALA N N 175 121.700 121.700 122.970 -1.270 18547 4982 1 5 . 1 1 185 185 ALA HA H 175 3.920 3.920 4.030 -0.110 18547 4983 1 5 . 1 1 185 185 ALA C C 175 179.600 179.600 178.786 0.814 18547 4984 1 5 . 1 1 185 185 ALA CA C 175 55.600 55.600 54.848 0.752 18547 4985 1 5 . 1 1 185 185 ALA CB C 175 17.900 17.900 17.708 0.192 18547 4986 1 5 . 1 1 185 185 ALA H H 175 8.800 8.800 8.298 0.502 18547 4987 1 5 . 1 1 186 186 ALA N N 176 119.000 119.000 121.251 -2.251 18547 4988 1 5 . 1 1 186 186 ALA HA H 176 4.190 4.190 3.116 1.074 18547 4989 1 5 . 1 1 186 186 ALA C C 176 180.300 180.300 179.654 0.646 18547 4990 1 5 . 1 1 186 186 ALA CA C 176 54.800 54.800 54.172 0.628 18547 4991 1 5 . 1 1 186 186 ALA CB C 176 17.900 17.900 18.141 -0.241 18547 4992 1 5 . 1 1 186 186 ALA H H 176 7.860 7.860 7.488 0.372 18547 4993 1 5 . 1 1 187 187 LEU N N 177 118.500 118.500 118.764 -0.264 18547 4994 1 5 . 1 1 187 187 LEU HA H 177 4.210 4.210 3.998 0.212 18547 4995 1 5 . 1 1 187 187 LEU C C 177 179.400 179.400 179.815 -0.415 18547 4996 1 5 . 1 1 187 187 LEU CA C 177 57.600 57.600 57.398 0.202 18547 4997 1 5 . 1 1 187 187 LEU CB C 177 42.700 42.700 41.848 0.852 18547 4998 1 5 . 1 1 187 187 LEU H H 177 7.460 7.460 8.077 -0.617 18547 4999 1 5 . 1 1 188 188 VAL N N 178 118.500 118.500 118.923 -0.423 18547 5000 1 5 . 1 1 188 188 VAL HA H 178 3.660 3.660 3.782 -0.122 18547 5001 1 5 . 1 1 188 188 VAL C C 178 177.600 177.600 176.859 0.741 18547 5002 1 5 . 1 1 188 188 VAL CA C 178 66.000 66.000 64.758 1.242 18547 5003 1 5 . 1 1 188 188 VAL CB C 178 32.400 32.400 32.200 0.201 18547 5004 1 5 . 1 1 188 188 VAL H H 178 8.640 8.640 7.700 0.940 18547 5005 1 5 . 1 1 189 189 HIS N N 179 116.000 116.000 115.536 0.464 18547 5006 1 5 . 1 1 189 189 HIS HA H 179 4.780 4.780 4.689 0.091 18547 5007 1 5 . 1 1 189 189 HIS C C 179 175.300 175.300 175.024 0.276 18547 5008 1 5 . 1 1 189 189 HIS CA C 179 56.200 56.200 54.106 2.094 18547 5009 1 5 . 1 1 189 189 HIS CB C 179 28.500 28.500 28.490 0.010 18547 5010 1 5 . 1 1 189 189 HIS H H 179 8.150 8.150 7.599 0.551 18547 5011 1 5 . 1 1 190 190 SER N N 180 115.000 115.000 117.154 -2.154 18547 5012 1 5 . 1 1 190 190 SER HA H 180 4.480 4.480 4.490 -0.010 18547 5013 1 5 . 1 1 190 190 SER C C 180 175.100 175.100 175.326 -0.226 18547 5014 1 5 . 1 1 190 190 SER CA C 180 59.500 59.500 59.521 -0.021 18547 5015 1 5 . 1 1 190 190 SER CB C 180 64.000 64.000 63.609 0.391 18547 5016 1 5 . 1 1 190 190 SER H H 180 7.820 7.820 7.518 0.302 18547 5017 1 5 . 1 1 191 191 GLY N N 181 111.100 111.100 111.460 -0.360 18547 5018 1 5 . 1 1 191 191 GLY C C 181 173.400 173.400 173.908 -0.508 18547 5019 1 5 . 1 1 191 191 GLY CA C 181 45.500 45.500 45.298 0.202 18547 5020 1 5 . 1 1 191 191 GLY H H 181 8.330 8.330 8.558 -0.228 18547 5021 1 6 . 1 1 12 12 ALA N N 2 125.600 125.600 123.841 1.759 18547 5022 1 6 . 1 1 12 12 ALA HA H 2 4.300 4.300 4.569 -0.269 18547 5023 1 6 . 1 1 12 12 ALA C C 2 177.600 177.600 176.454 1.146 18547 5024 1 6 . 1 1 12 12 ALA CA C 2 52.600 52.600 51.911 0.689 18547 5025 1 6 . 1 1 12 12 ALA CB C 2 19.200 19.200 20.827 -1.627 18547 5026 1 6 . 1 1 12 12 ALA H H 2 8.380 8.380 8.000 0.380 18547 5027 1 6 . 1 1 13 13 SER N N 3 115.000 115.000 119.772 -4.772 18547 5028 1 6 . 1 1 13 13 SER HA H 3 4.390 4.390 4.443 -0.053 18547 5029 1 6 . 1 1 13 13 SER C C 3 175.100 175.100 176.098 -0.998 18547 5030 1 6 . 1 1 13 13 SER CA C 3 58.500 58.500 58.062 0.438 18547 5031 1 6 . 1 1 13 13 SER CB C 3 63.800 63.800 62.402 1.398 18547 5032 1 6 . 1 1 13 13 SER H H 3 8.250 8.250 8.862 -0.612 18547 5033 1 6 . 1 1 14 14 GLY N N 4 110.700 110.700 117.410 -6.710 18547 5034 1 6 . 1 1 14 14 GLY C C 4 174.000 174.000 173.329 0.671 18547 5035 1 6 . 1 1 14 14 GLY CA C 4 45.400 45.400 45.631 -0.231 18547 5036 1 6 . 1 1 14 14 GLY H H 4 8.390 8.390 8.439 -0.049 18547 5037 1 6 . 1 1 15 15 GLN N N 5 120.100 120.100 118.362 1.738 18547 5038 1 6 . 1 1 15 15 GLN HA H 5 4.310 4.310 4.416 -0.106 18547 5039 1 6 . 1 1 15 15 GLN C C 5 175.500 175.500 174.141 1.359 18547 5040 1 6 . 1 1 15 15 GLN CA C 5 55.600 55.600 55.314 0.286 18547 5041 1 6 . 1 1 15 15 GLN CB C 5 29.700 29.700 30.091 -0.391 18547 5042 1 6 . 1 1 15 15 GLN H H 5 8.190 8.190 7.581 0.609 18547 5043 1 6 . 1 1 16 16 ALA N N 6 126.000 126.000 123.143 2.857 18547 5044 1 6 . 1 1 16 16 ALA HA H 6 4.360 4.360 4.590 -0.230 18547 5045 1 6 . 1 1 16 16 ALA C C 6 177.300 177.300 176.847 0.453 18547 5046 1 6 . 1 1 16 16 ALA CA C 6 52.300 52.300 51.380 0.920 18547 5047 1 6 . 1 1 16 16 ALA CB C 6 19.200 19.200 19.003 0.197 18547 5048 1 6 . 1 1 16 16 ALA H H 6 8.400 8.400 8.399 0.001 18547 5049 1 6 . 1 1 17 17 THR N N 7 119.200 119.200 118.830 0.370 18547 5050 1 6 . 1 1 17 17 THR HA H 7 4.370 4.370 4.842 -0.472 18547 5051 1 6 . 1 1 17 17 THR C C 7 173.600 173.600 173.192 0.408 18547 5052 1 6 . 1 1 17 17 THR CA C 7 63.200 63.200 62.475 0.725 18547 5053 1 6 . 1 1 17 17 THR CB C 7 70.600 70.600 68.619 1.981 18547 5054 1 6 . 1 1 17 17 THR H H 7 8.180 8.180 7.971 0.209 18547 5055 1 6 . 1 1 18 18 GLU N N 8 127.500 127.500 127.461 0.039 18547 5056 1 6 . 1 1 18 18 GLU HA H 8 4.540 4.540 4.513 0.027 18547 5057 1 6 . 1 1 18 18 GLU C C 8 174.200 174.200 175.422 -1.222 18547 5058 1 6 . 1 1 18 18 GLU CA C 8 55.100 55.100 55.663 -0.563 18547 5059 1 6 . 1 1 18 18 GLU CB C 8 31.900 31.900 31.666 0.234 18547 5060 1 6 . 1 1 18 18 GLU H H 8 8.810 8.810 8.345 0.465 18547 5061 1 6 . 1 1 19 19 ARG N N 9 122.100 122.100 123.255 -1.155 18547 5062 1 6 . 1 1 19 19 ARG HA H 9 5.060 5.060 5.069 -0.009 18547 5063 1 6 . 1 1 19 19 ARG C C 9 175.000 175.000 175.637 -0.637 18547 5064 1 6 . 1 1 19 19 ARG CA C 9 54.800 54.800 54.839 -0.039 18547 5065 1 6 . 1 1 19 19 ARG CB C 9 31.600 31.600 31.850 -0.250 18547 5066 1 6 . 1 1 19 19 ARG H H 9 8.070 8.070 8.566 -0.496 18547 5067 1 6 . 1 1 20 20 ALA N N 10 126.300 126.300 126.441 -0.141 18547 5068 1 6 . 1 1 20 20 ALA HA H 10 4.640 4.640 4.507 0.133 18547 5069 1 6 . 1 1 20 20 ALA C C 10 173.800 173.800 174.712 -0.912 18547 5070 1 6 . 1 1 20 20 ALA CA C 10 51.100 51.100 51.809 -0.709 18547 5071 1 6 . 1 1 20 20 ALA CB C 10 22.800 22.800 21.175 1.625 18547 5072 1 6 . 1 1 20 20 ALA H H 10 9.390 9.390 8.912 0.478 18547 5073 1 6 . 1 1 21 21 LEU N N 11 117.500 117.500 125.168 -7.668 18547 5074 1 6 . 1 1 21 21 LEU HA H 11 5.790 5.790 5.570 0.220 18547 5075 1 6 . 1 1 21 21 LEU C C 11 178.100 178.100 176.846 1.254 18547 5076 1 6 . 1 1 21 21 LEU CA C 11 53.100 53.100 53.784 -0.684 18547 5077 1 6 . 1 1 21 21 LEU CB C 11 45.400 45.400 44.338 1.062 18547 5078 1 6 . 1 1 21 21 LEU H H 11 8.280 8.280 8.432 -0.152 18547 5079 1 6 . 1 1 22 22 GLY N N 12 113.400 113.400 112.776 0.624 18547 5080 1 6 . 1 1 22 22 GLY C C 12 174.800 174.800 172.691 2.109 18547 5081 1 6 . 1 1 22 22 GLY CA C 12 44.500 44.500 44.591 -0.091 18547 5082 1 6 . 1 1 22 22 GLY H H 12 8.830 8.830 9.053 -0.223 18547 5083 1 6 . 1 1 23 23 ARG N N 13 119.600 119.600 118.737 0.863 18547 5084 1 6 . 1 1 23 23 ARG HA H 13 5.040 5.040 4.681 0.359 18547 5085 1 6 . 1 1 23 23 ARG C C 13 174.900 174.900 175.637 -0.737 18547 5086 1 6 . 1 1 23 23 ARG CA C 13 55.800 55.800 54.654 1.146 18547 5087 1 6 . 1 1 23 23 ARG CB C 13 33.600 33.600 32.168 1.432 18547 5088 1 6 . 1 1 23 23 ARG H H 13 8.160 8.160 8.307 -0.147 18547 5089 1 6 . 1 1 24 24 ARG N N 14 121.900 121.900 118.657 3.243 18547 5090 1 6 . 1 1 24 24 ARG HA H 14 4.530 4.530 4.538 -0.008 18547 5091 1 6 . 1 1 24 24 ARG C C 14 174.000 174.000 174.138 -0.138 18547 5092 1 6 . 1 1 24 24 ARG CA C 14 55.200 55.200 55.767 -0.567 18547 5093 1 6 . 1 1 24 24 ARG CB C 14 34.700 34.700 33.720 0.980 18547 5094 1 6 . 1 1 24 24 ARG H H 14 8.780 8.780 8.325 0.455 18547 5095 1 6 . 1 1 25 25 THR N N 15 121.700 121.700 118.730 2.970 18547 5096 1 6 . 1 1 25 25 THR HA H 15 4.420 4.420 4.866 -0.446 18547 5097 1 6 . 1 1 25 25 THR C C 15 173.700 173.700 174.028 -0.328 18547 5098 1 6 . 1 1 25 25 THR CA C 15 63.600 63.600 61.724 1.876 18547 5099 1 6 . 1 1 25 25 THR CB C 15 68.600 68.600 69.600 -1.000 18547 5100 1 6 . 1 1 25 25 THR H H 15 8.800 8.800 8.413 0.387 18547 5101 1 6 . 1 1 26 26 ILE N N 16 124.200 124.200 122.104 2.096 18547 5102 1 6 . 1 1 26 26 ILE HA H 16 4.940 4.940 4.760 0.180 18547 5103 1 6 . 1 1 26 26 ILE CA C 16 59.300 59.300 57.961 1.339 18547 5104 1 6 . 1 1 26 26 ILE CB C 16 38.200 38.200 37.548 0.652 18547 5105 1 6 . 1 1 26 26 ILE H H 16 8.420 8.420 8.085 0.335 18547 5106 1 6 . 1 1 27 27 PRO HA H 17 4.180 4.180 4.199 -0.019 18547 5107 1 6 . 1 1 27 27 PRO C C 17 178.100 178.100 176.806 1.294 18547 5108 1 6 . 1 1 27 27 PRO CA C 17 67.200 67.200 65.246 1.954 18547 5109 1 6 . 1 1 27 27 PRO CB C 17 30.700 30.700 31.358 -0.658 18547 5110 1 6 . 1 1 28 28 ALA N N 18 114.800 114.800 117.608 -2.808 18547 5111 1 6 . 1 1 28 28 ALA HA H 18 4.270 4.270 4.427 -0.157 18547 5112 1 6 . 1 1 28 28 ALA C C 18 177.000 177.000 177.218 -0.218 18547 5113 1 6 . 1 1 28 28 ALA CA C 18 53.100 53.100 51.613 1.487 18547 5114 1 6 . 1 1 28 28 ALA CB C 18 19.500 19.500 19.264 0.236 18547 5115 1 6 . 1 1 28 28 ALA H H 18 8.060 8.060 8.219 -0.159 18547 5116 1 6 . 1 1 29 29 GLY N N 19 107.100 107.100 107.033 0.067 18547 5117 1 6 . 1 1 29 29 GLY C C 19 171.900 171.900 172.145 -0.245 18547 5118 1 6 . 1 1 29 29 GLY CA C 19 44.000 44.000 44.323 -0.323 18547 5119 1 6 . 1 1 29 29 GLY H H 19 8.140 8.140 7.612 0.528 18547 5120 1 6 . 1 1 30 30 GLU N N 20 120.000 120.000 120.390 -0.390 18547 5121 1 6 . 1 1 30 30 GLU HA H 20 4.320 4.320 4.361 -0.041 18547 5122 1 6 . 1 1 30 30 GLU C C 20 175.600 175.600 176.072 -0.472 18547 5123 1 6 . 1 1 30 30 GLU CA C 20 57.300 57.300 56.661 0.639 18547 5124 1 6 . 1 1 30 30 GLU CB C 20 29.100 29.100 29.753 -0.653 18547 5125 1 6 . 1 1 30 30 GLU H H 20 8.380 8.380 8.501 -0.121 18547 5126 1 6 . 1 1 31 31 ALA N N 21 129.500 129.500 128.864 0.636 18547 5127 1 6 . 1 1 31 31 ALA HA H 21 4.610 4.610 4.550 0.060 18547 5128 1 6 . 1 1 31 31 ALA C C 21 177.200 177.200 176.076 1.124 18547 5129 1 6 . 1 1 31 31 ALA CA C 21 51.200 51.200 51.184 0.016 18547 5130 1 6 . 1 1 31 31 ALA CB C 21 22.500 22.500 21.280 1.220 18547 5131 1 6 . 1 1 31 31 ALA H H 21 8.660 8.660 8.259 0.401 18547 5132 1 6 . 1 1 32 32 ARG N N 22 120.400 120.400 117.042 3.358 18547 5133 1 6 . 1 1 32 32 ARG HA H 22 4.950 4.950 4.821 0.129 18547 5134 1 6 . 1 1 32 32 ARG C C 22 173.400 173.400 175.730 -2.330 18547 5135 1 6 . 1 1 32 32 ARG CA C 22 55.500 55.500 54.638 0.862 18547 5136 1 6 . 1 1 32 32 ARG CB C 22 32.500 32.500 33.428 -0.928 18547 5137 1 6 . 1 1 32 32 ARG H H 22 8.090 8.090 8.044 0.046 18547 5138 1 6 . 1 1 33 33 SER N N 23 113.800 113.800 113.522 0.278 18547 5139 1 6 . 1 1 33 33 SER HA H 23 5.560 5.560 5.384 0.176 18547 5140 1 6 . 1 1 33 33 SER C C 23 174.500 174.500 174.049 0.451 18547 5141 1 6 . 1 1 33 33 SER CA C 23 55.600 55.600 56.912 -1.312 18547 5142 1 6 . 1 1 33 33 SER CB C 23 67.300 67.300 66.164 1.136 18547 5143 1 6 . 1 1 33 33 SER H H 23 8.080 8.080 8.533 -0.453 18547 5144 1 6 . 1 1 34 34 ILE N N 24 112.700 112.700 118.533 -5.833 18547 5145 1 6 . 1 1 34 34 ILE HA H 24 4.950 4.950 4.650 0.300 18547 5146 1 6 . 1 1 34 34 ILE C C 24 175.400 175.400 174.445 0.955 18547 5147 1 6 . 1 1 34 34 ILE CA C 24 58.300 58.300 60.626 -2.326 18547 5148 1 6 . 1 1 34 34 ILE CB C 24 39.900 39.900 39.081 0.819 18547 5149 1 6 . 1 1 34 34 ILE H H 24 7.980 7.980 8.496 -0.516 18547 5150 1 6 . 1 1 35 35 ILE N N 25 121.800 121.800 125.348 -3.548 18547 5151 1 6 . 1 1 35 35 ILE HA H 25 4.960 4.960 4.630 0.330 18547 5152 1 6 . 1 1 35 35 ILE C C 25 174.800 174.800 174.642 0.158 18547 5153 1 6 . 1 1 35 35 ILE CA C 25 60.700 60.700 60.159 0.541 18547 5154 1 6 . 1 1 35 35 ILE CB C 25 41.300 41.300 39.664 1.636 18547 5155 1 6 . 1 1 35 35 ILE H H 25 8.960 8.960 8.859 0.101 18547 5156 1 6 . 1 1 36 36 ILE N N 26 127.900 127.900 128.301 -0.401 18547 5157 1 6 . 1 1 36 36 ILE HA H 26 4.770 4.770 4.578 0.192 18547 5158 1 6 . 1 1 36 36 ILE C C 26 175.000 175.000 175.027 -0.027 18547 5159 1 6 . 1 1 36 36 ILE CA C 26 59.900 59.900 60.527 -0.627 18547 5160 1 6 . 1 1 36 36 ILE CB C 26 42.100 42.100 38.563 3.537 18547 5161 1 6 . 1 1 36 36 ILE H H 26 9.210 9.210 8.618 0.592 18547 5162 1 6 . 1 1 37 37 ARG N N 27 124.100 124.100 128.016 -3.916 18547 5163 1 6 . 1 1 37 37 ARG HA H 27 5.850 5.850 5.375 0.475 18547 5164 1 6 . 1 1 37 37 ARG C C 27 176.200 176.200 175.361 0.839 18547 5165 1 6 . 1 1 37 37 ARG CA C 27 54.100 54.100 54.709 -0.609 18547 5166 1 6 . 1 1 37 37 ARG CB C 27 32.900 32.900 32.335 0.565 18547 5167 1 6 . 1 1 37 37 ARG H H 27 8.670 8.670 8.873 -0.203 18547 5168 1 6 . 1 1 38 38 GLN N N 28 122.900 122.900 121.765 1.135 18547 5169 1 6 . 1 1 38 38 GLN HA H 28 4.710 4.710 5.115 -0.405 18547 5170 1 6 . 1 1 38 38 GLN C C 28 173.200 173.200 174.626 -1.426 18547 5171 1 6 . 1 1 38 38 GLN CA C 28 54.400 54.400 54.394 0.006 18547 5172 1 6 . 1 1 38 38 GLN CB C 28 35.200 35.200 33.690 1.510 18547 5173 1 6 . 1 1 38 38 GLN H H 28 9.310 9.310 8.693 0.617 18547 5174 1 6 . 1 1 39 39 ARG N N 29 121.400 121.400 123.319 -1.919 18547 5175 1 6 . 1 1 39 39 ARG HA H 29 5.260 5.260 4.901 0.359 18547 5176 1 6 . 1 1 39 39 ARG C C 29 175.400 175.400 175.845 -0.445 18547 5177 1 6 . 1 1 39 39 ARG CA C 29 55.100 55.100 54.090 1.010 18547 5178 1 6 . 1 1 39 39 ARG CB C 29 32.500 32.500 29.718 2.783 18547 5179 1 6 . 1 1 39 39 ARG H H 29 8.510 8.510 8.122 0.388 18547 5180 1 6 . 1 1 40 40 TYR N N 30 120.000 120.000 125.086 -5.086 18547 5181 1 6 . 1 1 40 40 TYR HA H 30 4.600 4.600 4.457 0.143 18547 5182 1 6 . 1 1 40 40 TYR C C 30 175.600 175.600 175.186 0.414 18547 5183 1 6 . 1 1 40 40 TYR CA C 30 56.900 56.900 57.900 -1.000 18547 5184 1 6 . 1 1 40 40 TYR CB C 30 42.700 42.700 39.560 3.140 18547 5185 1 6 . 1 1 40 40 TYR H H 30 9.140 9.140 9.075 0.065 18547 5186 1 6 . 1 1 41 41 ASP N N 31 126.400 126.400 125.577 0.823 18547 5187 1 6 . 1 1 41 41 ASP HA H 31 4.880 4.880 4.626 0.254 18547 5188 1 6 . 1 1 41 41 ASP C C 31 174.500 174.500 174.786 -0.286 18547 5189 1 6 . 1 1 41 41 ASP CA C 31 53.200 53.200 54.489 -1.289 18547 5190 1 6 . 1 1 41 41 ASP CB C 31 39.200 39.200 39.453 -0.253 18547 5191 1 6 . 1 1 41 41 ASP H H 31 9.140 9.140 8.959 0.181 18547 5192 1 6 . 1 1 42 42 ALA N N 32 123.100 123.100 122.621 0.479 18547 5193 1 6 . 1 1 42 42 ALA HA H 32 4.690 4.690 4.736 -0.046 18547 5194 1 6 . 1 1 42 42 ALA CA C 32 50.100 50.100 49.586 0.514 18547 5195 1 6 . 1 1 42 42 ALA CB C 32 20.200 20.200 20.635 -0.435 18547 5196 1 6 . 1 1 42 42 ALA H H 32 7.770 7.770 7.781 -0.011 18547 5197 1 6 . 1 1 43 43 PRO HA H 33 4.650 4.650 4.483 0.167 18547 5198 1 6 . 1 1 43 43 PRO C C 33 178.100 178.100 177.546 0.554 18547 5199 1 6 . 1 1 43 43 PRO CA C 33 62.000 62.000 62.389 -0.389 18547 5200 1 6 . 1 1 43 43 PRO CB C 33 33.000 33.000 32.724 0.276 18547 5201 1 6 . 1 1 44 44 VAL N N 34 123.500 123.500 118.789 4.711 18547 5202 1 6 . 1 1 44 44 VAL HA H 34 3.960 3.960 3.771 0.189 18547 5203 1 6 . 1 1 44 44 VAL C C 34 177.500 177.500 178.177 -0.677 18547 5204 1 6 . 1 1 44 44 VAL CA C 34 66.000 66.000 66.103 -0.103 18547 5205 1 6 . 1 1 44 44 VAL CB C 34 32.000 32.000 31.602 0.399 18547 5206 1 6 . 1 1 44 44 VAL H H 34 8.570 8.570 8.766 -0.196 18547 5207 1 6 . 1 1 45 45 ASP N N 35 116.200 116.200 119.199 -2.999 18547 5208 1 6 . 1 1 45 45 ASP HA H 35 4.290 4.290 4.274 0.016 18547 5209 1 6 . 1 1 45 45 ASP C C 35 178.800 178.800 178.193 0.607 18547 5210 1 6 . 1 1 45 45 ASP CA C 35 57.500 57.500 58.528 -1.028 18547 5211 1 6 . 1 1 45 45 ASP CB C 35 40.400 40.400 40.122 0.278 18547 5212 1 6 . 1 1 45 45 ASP H H 35 8.520 8.520 8.794 -0.274 18547 5213 1 6 . 1 1 46 46 GLU N N 36 120.100 120.100 120.186 -0.086 18547 5214 1 6 . 1 1 46 46 GLU HA H 36 4.260 4.260 4.155 0.105 18547 5215 1 6 . 1 1 46 46 GLU C C 36 179.000 179.000 178.578 0.422 18547 5216 1 6 . 1 1 46 46 GLU CA C 36 58.400 58.400 59.075 -0.674 18547 5217 1 6 . 1 1 46 46 GLU CB C 36 29.700 29.700 29.373 0.327 18547 5218 1 6 . 1 1 46 46 GLU H H 36 7.360 7.360 8.174 -0.814 18547 5219 1 6 . 1 1 47 47 VAL N N 37 121.800 121.800 119.899 1.901 18547 5220 1 6 . 1 1 47 47 VAL HA H 37 3.370 3.370 3.658 -0.288 18547 5221 1 6 . 1 1 47 47 VAL C C 37 177.100 177.100 178.106 -1.006 18547 5222 1 6 . 1 1 47 47 VAL CA C 37 66.900 66.900 66.650 0.250 18547 5223 1 6 . 1 1 47 47 VAL CB C 37 31.000 31.000 30.771 0.229 18547 5224 1 6 . 1 1 47 47 VAL H H 37 7.680 7.680 7.801 -0.121 18547 5225 1 6 . 1 1 48 48 TRP N N 38 119.800 119.800 122.473 -2.673 18547 5226 1 6 . 1 1 48 48 TRP HA H 38 3.990 3.990 4.173 -0.183 18547 5227 1 6 . 1 1 48 48 TRP C C 38 180.700 180.700 178.418 2.282 18547 5228 1 6 . 1 1 48 48 TRP CA C 38 60.900 60.900 61.454 -0.554 18547 5229 1 6 . 1 1 48 48 TRP CB C 38 29.300 29.300 29.345 -0.045 18547 5230 1 6 . 1 1 48 48 TRP H H 38 9.160 9.160 8.374 0.786 18547 5231 1 6 . 1 1 49 49 SER N N 39 116.100 116.100 116.271 -0.171 18547 5232 1 6 . 1 1 49 49 SER HA H 39 4.010 4.010 4.136 -0.126 18547 5233 1 6 . 1 1 49 49 SER C C 39 175.700 175.700 176.659 -0.959 18547 5234 1 6 . 1 1 49 49 SER CA C 39 62.700 62.700 62.027 0.673 18547 5235 1 6 . 1 1 49 49 SER CB C 39 62.700 62.700 63.092 -0.392 18547 5236 1 6 . 1 1 49 49 SER H H 39 8.230 8.230 7.984 0.246 18547 5237 1 6 . 1 1 50 50 ALA N N 40 122.300 122.300 124.008 -1.708 18547 5238 1 6 . 1 1 50 50 ALA HA H 40 4.020 4.020 4.231 -0.211 18547 5239 1 6 . 1 1 50 50 ALA C C 40 176.700 176.700 178.627 -1.927 18547 5240 1 6 . 1 1 50 50 ALA CA C 40 55.200 55.200 54.940 0.260 18547 5241 1 6 . 1 1 50 50 ALA CB C 40 18.800 18.800 18.654 0.146 18547 5242 1 6 . 1 1 50 50 ALA H H 40 7.770 7.770 8.136 -0.366 18547 5243 1 6 . 1 1 51 51 CYS N N 41 109.400 109.400 114.649 -5.249 18547 5244 1 6 . 1 1 51 51 CYS HA H 41 4.510 4.510 4.546 -0.036 18547 5245 1 6 . 1 1 51 51 CYS C C 41 172.200 172.200 175.951 -3.751 18547 5246 1 6 . 1 1 51 51 CYS CA C 41 61.100 61.100 60.395 0.705 18547 5247 1 6 . 1 1 51 51 CYS CB C 41 29.800 29.800 27.836 1.964 18547 5248 1 6 . 1 1 51 51 CYS H H 41 7.080 7.080 7.976 -0.896 18547 5249 1 6 . 1 1 52 52 THR N N 42 100.100 100.100 111.192 -11.092 18547 5250 1 6 . 1 1 52 52 THR HA H 42 4.240 4.240 4.164 0.076 18547 5251 1 6 . 1 1 52 52 THR C C 42 173.500 173.500 174.594 -1.094 18547 5252 1 6 . 1 1 52 52 THR CA C 42 62.200 62.200 61.994 0.206 18547 5253 1 6 . 1 1 52 52 THR CB C 42 71.800 71.800 69.633 2.167 18547 5254 1 6 . 1 1 52 52 THR H H 42 6.800 6.800 7.351 -0.551 18547 5255 1 6 . 1 1 53 53 ASP N N 43 123.000 123.000 125.235 -2.235 18547 5256 1 6 . 1 1 53 53 ASP HA H 43 5.080 5.080 4.778 0.302 18547 5257 1 6 . 1 1 53 53 ASP CA C 43 50.600 50.600 52.965 -2.365 18547 5258 1 6 . 1 1 53 53 ASP CB C 43 42.000 42.000 40.934 1.066 18547 5259 1 6 . 1 1 53 53 ASP H H 43 8.040 8.040 8.181 -0.141 18547 5260 1 6 . 1 1 54 54 PRO HA H 44 3.960 3.960 4.182 -0.222 18547 5261 1 6 . 1 1 54 54 PRO C C 44 176.300 176.300 177.744 -1.444 18547 5262 1 6 . 1 1 54 54 PRO CA C 44 65.900 65.900 64.769 1.131 18547 5263 1 6 . 1 1 54 54 PRO CB C 44 32.700 32.700 32.071 0.629 18547 5264 1 6 . 1 1 55 55 ASN N N 45 112.700 112.700 116.726 -4.026 18547 5265 1 6 . 1 1 55 55 ASN HA H 45 4.520 4.520 4.499 0.021 18547 5266 1 6 . 1 1 55 55 ASN C C 45 175.900 175.900 176.479 -0.579 18547 5267 1 6 . 1 1 55 55 ASN CA C 45 55.100 55.100 56.248 -1.148 18547 5268 1 6 . 1 1 55 55 ASN CB C 45 38.900 38.900 37.961 0.939 18547 5269 1 6 . 1 1 55 55 ASN H H 45 8.160 8.160 8.677 -0.517 18547 5270 1 6 . 1 1 56 56 ARG N N 46 117.700 117.700 118.339 -0.639 18547 5271 1 6 . 1 1 56 56 ARG HA H 46 4.250 4.250 4.218 0.032 18547 5272 1 6 . 1 1 56 56 ARG C C 46 177.100 177.100 176.947 0.153 18547 5273 1 6 . 1 1 56 56 ARG CA C 46 58.400 58.400 57.750 0.650 18547 5274 1 6 . 1 1 56 56 ARG CB C 46 31.800 31.800 31.298 0.502 18547 5275 1 6 . 1 1 56 56 ARG H H 46 7.940 7.940 7.619 0.321 18547 5276 1 6 . 1 1 57 57 ILE N N 47 120.100 120.100 119.710 0.390 18547 5277 1 6 . 1 1 57 57 ILE HA H 47 3.420 3.420 2.470 0.950 18547 5278 1 6 . 1 1 57 57 ILE C C 47 177.400 177.400 176.012 1.388 18547 5279 1 6 . 1 1 57 57 ILE CA C 47 64.400 64.400 64.138 0.262 18547 5280 1 6 . 1 1 57 57 ILE CB C 47 39.500 39.500 37.578 1.922 18547 5281 1 6 . 1 1 57 57 ILE H H 47 8.610 8.610 7.603 1.007 18547 5282 1 6 . 1 1 58 58 ASN N N 48 112.100 112.100 118.306 -6.206 18547 5283 1 6 . 1 1 58 58 ASN HA H 48 3.780 3.780 4.384 -0.604 18547 5284 1 6 . 1 1 58 58 ASN C C 48 175.300 175.300 176.449 -1.149 18547 5285 1 6 . 1 1 58 58 ASN CA C 48 54.400 54.400 55.136 -0.736 18547 5286 1 6 . 1 1 58 58 ASN CB C 48 38.200 38.200 37.738 0.462 18547 5287 1 6 . 1 1 58 58 ASN H H 48 7.440 7.440 7.720 -0.280 18547 5288 1 6 . 1 1 59 59 ARG N N 49 115.600 115.600 117.754 -2.154 18547 5289 1 6 . 1 1 59 59 ARG HA H 49 4.120 4.120 4.087 0.033 18547 5290 1 6 . 1 1 59 59 ARG C C 49 174.700 174.700 176.249 -1.549 18547 5291 1 6 . 1 1 59 59 ARG CA C 49 55.900 55.900 58.130 -2.230 18547 5292 1 6 . 1 1 59 59 ARG CB C 49 29.900 29.900 29.045 0.855 18547 5293 1 6 . 1 1 59 59 ARG H H 49 7.370 7.370 8.156 -0.786 18547 5294 1 6 . 1 1 60 60 TRP N N 50 112.500 112.500 116.891 -4.391 18547 5295 1 6 . 1 1 60 60 TRP HA H 50 4.860 4.860 4.948 -0.088 18547 5296 1 6 . 1 1 60 60 TRP C C 50 173.400 173.400 175.870 -2.470 18547 5297 1 6 . 1 1 60 60 TRP CA C 50 55.800 55.800 57.562 -1.762 18547 5298 1 6 . 1 1 60 60 TRP CB C 50 31.500 31.500 29.820 1.680 18547 5299 1 6 . 1 1 60 60 TRP H H 50 6.860 6.860 7.099 -0.239 18547 5300 1 6 . 1 1 61 61 PHE N N 51 126.400 126.400 119.781 6.619 18547 5301 1 6 . 1 1 61 61 PHE HA H 51 4.690 4.690 4.901 -0.211 18547 5302 1 6 . 1 1 61 61 PHE C C 51 173.000 173.000 174.457 -1.457 18547 5303 1 6 . 1 1 61 61 PHE CA C 51 55.000 55.000 55.979 -0.979 18547 5304 1 6 . 1 1 61 61 PHE CB C 51 37.600 37.600 41.743 -4.143 18547 5305 1 6 . 1 1 61 61 PHE H H 51 7.830 7.830 7.527 0.303 18547 5306 1 6 . 1 1 62 62 ILE N N 52 126.800 126.800 121.310 5.490 18547 5307 1 6 . 1 1 62 62 ILE HA H 52 3.760 3.760 3.915 -0.155 18547 5308 1 6 . 1 1 62 62 ILE C C 52 172.600 172.600 174.790 -2.190 18547 5309 1 6 . 1 1 62 62 ILE CA C 52 59.900 59.900 60.562 -0.661 18547 5310 1 6 . 1 1 62 62 ILE CB C 52 41.600 41.600 38.009 3.591 18547 5311 1 6 . 1 1 62 62 ILE H H 52 6.010 6.010 6.951 -0.941 18547 5312 1 6 . 1 1 63 63 GLU N N 53 124.400 124.400 127.108 -2.708 18547 5313 1 6 . 1 1 63 63 GLU HA H 53 3.850 3.850 4.288 -0.438 18547 5314 1 6 . 1 1 63 63 GLU CA C 53 54.800 54.800 54.189 0.611 18547 5315 1 6 . 1 1 63 63 GLU CB C 53 31.700 31.700 29.022 2.678 18547 5316 1 6 . 1 1 63 63 GLU H H 53 8.280 8.280 8.486 -0.206 18547 5317 1 6 . 1 1 64 64 PRO HA H 54 4.920 4.920 4.764 0.156 18547 5318 1 6 . 1 1 64 64 PRO C C 54 175.500 175.500 176.476 -0.976 18547 5319 1 6 . 1 1 64 64 PRO CA C 54 62.000 62.000 62.033 -0.033 18547 5320 1 6 . 1 1 64 64 PRO CB C 54 31.800 31.800 31.872 -0.073 18547 5321 1 6 . 1 1 65 65 LYS N N 55 120.200 120.200 124.646 -4.446 18547 5322 1 6 . 1 1 65 65 LYS HA H 55 4.780 4.780 4.329 0.451 18547 5323 1 6 . 1 1 65 65 LYS C C 55 176.000 176.000 176.577 -0.577 18547 5324 1 6 . 1 1 65 65 LYS CA C 55 54.200 54.200 56.591 -2.391 18547 5325 1 6 . 1 1 65 65 LYS CB C 55 35.300 35.300 33.929 1.371 18547 5326 1 6 . 1 1 65 65 LYS H H 55 8.370 8.370 8.307 0.063 18547 5327 1 6 . 1 1 66 66 GLY N N 56 109.400 109.400 109.344 0.056 18547 5328 1 6 . 1 1 66 66 GLY C C 56 171.400 171.400 174.102 -2.702 18547 5329 1 6 . 1 1 66 66 GLY CA C 56 45.400 45.400 44.759 0.641 18547 5330 1 6 . 1 1 66 66 GLY H H 56 8.640 8.640 7.942 0.698 18547 5331 1 6 . 1 1 67 67 ASP N N 57 123.800 123.800 122.025 1.775 18547 5332 1 6 . 1 1 67 67 ASP HA H 57 4.900 4.900 4.571 0.329 18547 5333 1 6 . 1 1 67 67 ASP C C 57 175.600 175.600 177.341 -1.741 18547 5334 1 6 . 1 1 67 67 ASP CA C 57 52.400 52.400 56.549 -4.149 18547 5335 1 6 . 1 1 67 67 ASP CB C 57 40.700 40.700 41.340 -0.639 18547 5336 1 6 . 1 1 67 67 ASP H H 57 7.790 7.790 8.262 -0.472 18547 5337 1 6 . 1 1 68 68 LEU N N 58 122.800 122.800 112.823 9.977 18547 5338 1 6 . 1 1 68 68 LEU HA H 58 4.270 4.270 3.935 0.335 18547 5339 1 6 . 1 1 68 68 LEU C C 58 173.700 173.700 175.405 -1.705 18547 5340 1 6 . 1 1 68 68 LEU CA C 58 54.500 54.500 55.867 -1.367 18547 5341 1 6 . 1 1 68 68 LEU CB C 58 38.300 38.300 40.886 -2.586 18547 5342 1 6 . 1 1 68 68 LEU H H 58 8.330 8.330 7.708 0.622 18547 5343 1 6 . 1 1 69 69 ARG N N 59 121.800 121.800 117.461 4.339 18547 5344 1 6 . 1 1 69 69 ARG HA H 59 4.710 4.710 4.564 0.146 18547 5345 1 6 . 1 1 69 69 ARG CA C 59 54.100 54.100 53.615 0.485 18547 5346 1 6 . 1 1 69 69 ARG CB C 59 31.800 31.800 31.115 0.685 18547 5347 1 6 . 1 1 69 69 ARG H H 59 8.120 8.120 7.645 0.475 18547 5348 1 6 . 1 1 70 70 GLU N N 60 122.800 122.800 123.502 -0.702 18547 5349 1 6 . 1 1 70 70 GLU HA H 60 3.870 3.870 4.087 -0.217 18547 5350 1 6 . 1 1 70 70 GLU C C 60 177.200 177.200 177.122 0.078 18547 5351 1 6 . 1 1 70 70 GLU CA C 60 60.000 60.000 57.990 2.010 18547 5352 1 6 . 1 1 70 70 GLU CB C 60 30.200 30.200 29.220 0.980 18547 5353 1 6 . 1 1 70 70 GLU H H 60 9.130 9.130 8.880 0.250 18547 5354 1 6 . 1 1 71 71 GLY N N 61 117.100 117.100 114.763 2.337 18547 5355 1 6 . 1 1 71 71 GLY C C 61 174.900 174.900 174.450 0.450 18547 5356 1 6 . 1 1 71 71 GLY CA C 61 45.600 45.600 44.637 0.963 18547 5357 1 6 . 1 1 71 71 GLY H H 61 8.710 8.710 8.293 0.417 18547 5358 1 6 . 1 1 72 72 GLY N N 62 110.300 110.300 110.213 0.087 18547 5359 1 6 . 1 1 72 72 GLY C C 62 174.200 174.200 172.444 1.756 18547 5360 1 6 . 1 1 72 72 GLY CA C 62 43.400 43.400 43.950 -0.550 18547 5361 1 6 . 1 1 72 72 GLY H H 62 8.760 8.760 8.274 0.486 18547 5362 1 6 . 1 1 73 73 ASN N N 63 117.800 117.800 116.193 1.607 18547 5363 1 6 . 1 1 73 73 ASN HA H 63 5.490 5.490 5.623 -0.133 18547 5364 1 6 . 1 1 73 73 ASN C C 63 171.400 171.400 174.592 -3.192 18547 5365 1 6 . 1 1 73 73 ASN CA C 63 52.900 52.900 52.177 0.723 18547 5366 1 6 . 1 1 73 73 ASN CB C 63 41.500 41.500 42.849 -1.349 18547 5367 1 6 . 1 1 73 73 ASN H H 63 8.890 8.890 8.177 0.713 18547 5368 1 6 . 1 1 74 74 PHE N N 64 113.500 113.500 118.157 -4.657 18547 5369 1 6 . 1 1 74 74 PHE HA H 64 5.500 5.500 5.676 -0.176 18547 5370 1 6 . 1 1 74 74 PHE C C 64 173.200 173.200 173.989 -0.789 18547 5371 1 6 . 1 1 74 74 PHE CA C 64 55.900 55.900 54.821 1.079 18547 5372 1 6 . 1 1 74 74 PHE CB C 64 44.600 44.600 42.360 2.240 18547 5373 1 6 . 1 1 74 74 PHE H H 64 8.700 8.700 8.870 -0.170 18547 5374 1 6 . 1 1 75 75 ALA N N 65 122.200 122.200 121.499 0.701 18547 5375 1 6 . 1 1 75 75 ALA HA H 65 4.350 4.350 4.543 -0.193 18547 5376 1 6 . 1 1 75 75 ALA C C 65 176.000 176.000 175.527 0.473 18547 5377 1 6 . 1 1 75 75 ALA CA C 65 52.500 52.500 51.645 0.855 18547 5378 1 6 . 1 1 75 75 ALA CB C 65 21.800 21.800 20.877 0.923 18547 5379 1 6 . 1 1 75 75 ALA H H 65 8.690 8.690 8.208 0.482 18547 5380 1 6 . 1 1 76 76 LEU N N 66 123.800 123.800 123.607 0.193 18547 5381 1 6 . 1 1 76 76 LEU HA H 66 4.520 4.520 4.579 -0.059 18547 5382 1 6 . 1 1 76 76 LEU C C 66 175.800 175.800 177.698 -1.898 18547 5383 1 6 . 1 1 76 76 LEU CA C 66 52.500 52.500 53.911 -1.411 18547 5384 1 6 . 1 1 76 76 LEU CB C 66 42.400 42.400 42.950 -0.550 18547 5385 1 6 . 1 1 76 76 LEU H H 66 8.350 8.350 8.269 0.081 18547 5386 1 6 . 1 1 77 77 GLN N N 67 127.400 127.400 121.279 6.121 18547 5387 1 6 . 1 1 77 77 GLN HA H 67 3.900 3.900 4.030 -0.130 18547 5388 1 6 . 1 1 77 77 GLN C C 67 176.600 176.600 176.679 -0.079 18547 5389 1 6 . 1 1 77 77 GLN CA C 67 57.800 57.800 56.496 1.304 18547 5390 1 6 . 1 1 77 77 GLN CB C 67 28.000 28.000 28.477 -0.478 18547 5391 1 6 . 1 1 77 77 GLN H H 67 8.590 8.590 8.544 0.046 18547 5392 1 6 . 1 1 78 78 GLY N N 68 114.800 114.800 116.554 -1.754 18547 5393 1 6 . 1 1 78 78 GLY C C 68 173.700 173.700 174.262 -0.562 18547 5394 1 6 . 1 1 78 78 GLY CA C 68 45.700 45.700 45.837 -0.137 18547 5395 1 6 . 1 1 78 78 GLY H H 68 8.920 8.920 8.760 0.160 18547 5396 1 6 . 1 1 79 79 ASN N N 69 124.000 124.000 117.956 6.044 18547 5397 1 6 . 1 1 79 79 ASN HA H 69 4.600 4.600 4.228 0.372 18547 5398 1 6 . 1 1 79 79 ASN C C 69 173.300 173.300 172.644 0.656 18547 5399 1 6 . 1 1 79 79 ASN CA C 69 52.900 52.900 53.477 -0.577 18547 5400 1 6 . 1 1 79 79 ASN CB C 69 41.600 41.600 39.369 2.231 18547 5401 1 6 . 1 1 79 79 ASN H H 69 8.360 8.360 7.544 0.816 18547 5402 1 6 . 1 1 80 80 ALA N N 70 127.200 127.200 118.451 8.749 18547 5403 1 6 . 1 1 80 80 ALA HA H 70 4.170 4.170 4.481 -0.311 18547 5404 1 6 . 1 1 80 80 ALA C C 70 174.500 174.500 174.902 -0.402 18547 5405 1 6 . 1 1 80 80 ALA CA C 70 52.500 52.500 49.911 2.588 18547 5406 1 6 . 1 1 80 80 ALA CB C 70 18.600 18.600 21.140 -2.540 18547 5407 1 6 . 1 1 80 80 ALA H H 70 8.930 8.930 7.344 1.586 18547 5408 1 6 . 1 1 81 81 SER N N 71 111.000 111.000 114.121 -3.121 18547 5409 1 6 . 1 1 81 81 SER HA H 71 4.170 4.170 4.408 -0.238 18547 5410 1 6 . 1 1 81 81 SER C C 71 170.900 170.900 172.930 -2.030 18547 5411 1 6 . 1 1 81 81 SER CA C 71 56.300 56.300 56.489 -0.189 18547 5412 1 6 . 1 1 81 81 SER CB C 71 66.600 66.600 64.969 1.631 18547 5413 1 6 . 1 1 81 81 SER H H 71 7.980 7.980 8.143 -0.163 18547 5414 1 6 . 1 1 82 82 GLY N N 72 102.700 102.700 109.782 -7.082 18547 5415 1 6 . 1 1 82 82 GLY C C 72 171.700 171.700 171.806 -0.106 18547 5416 1 6 . 1 1 82 82 GLY CA C 72 46.200 46.200 44.877 1.323 18547 5417 1 6 . 1 1 82 82 GLY H H 72 6.940 6.940 7.347 -0.407 18547 5418 1 6 . 1 1 83 83 ASP N N 73 117.900 117.900 121.143 -3.243 18547 5419 1 6 . 1 1 83 83 ASP HA H 73 5.430 5.430 4.976 0.454 18547 5420 1 6 . 1 1 83 83 ASP C C 73 176.100 176.100 176.327 -0.227 18547 5421 1 6 . 1 1 83 83 ASP CA C 73 52.700 52.700 53.529 -0.829 18547 5422 1 6 . 1 1 83 83 ASP CB C 73 43.600 43.600 42.230 1.370 18547 5423 1 6 . 1 1 83 83 ASP H H 73 8.770 8.770 8.417 0.353 18547 5424 1 6 . 1 1 84 84 ILE N N 74 120.200 120.200 120.477 -0.277 18547 5425 1 6 . 1 1 84 84 ILE HA H 74 4.530 4.530 4.342 0.188 18547 5426 1 6 . 1 1 84 84 ILE C C 74 175.600 175.600 176.615 -1.015 18547 5427 1 6 . 1 1 84 84 ILE CA C 74 61.700 61.700 59.196 2.504 18547 5428 1 6 . 1 1 84 84 ILE CB C 74 36.700 36.700 35.275 1.425 18547 5429 1 6 . 1 1 84 84 ILE H H 74 8.060 8.060 8.355 -0.295 18547 5430 1 6 . 1 1 85 85 LEU N N 75 130.400 130.400 127.750 2.650 18547 5431 1 6 . 1 1 85 85 LEU HA H 75 4.330 4.330 4.167 0.163 18547 5432 1 6 . 1 1 85 85 LEU C C 75 178.100 178.100 177.731 0.369 18547 5433 1 6 . 1 1 85 85 LEU CA C 75 57.000 57.000 57.526 -0.526 18547 5434 1 6 . 1 1 85 85 LEU CB C 75 42.000 42.000 42.467 -0.467 18547 5435 1 6 . 1 1 85 85 LEU H H 75 8.710 8.710 8.177 0.533 18547 5436 1 6 . 1 1 86 86 ARG N N 76 115.700 115.700 118.189 -2.489 18547 5437 1 6 . 1 1 86 86 ARG HA H 76 4.840 4.840 4.864 -0.024 18547 5438 1 6 . 1 1 86 86 ARG C C 76 174.900 174.900 173.947 0.953 18547 5439 1 6 . 1 1 86 86 ARG CA C 76 54.700 54.700 55.197 -0.497 18547 5440 1 6 . 1 1 86 86 ARG CB C 76 33.900 33.900 33.035 0.865 18547 5441 1 6 . 1 1 86 86 ARG H H 76 8.130 8.130 8.309 -0.179 18547 5442 1 6 . 1 1 87 87 CYS N N 77 127.100 127.100 124.786 2.314 18547 5443 1 6 . 1 1 87 87 CYS HA H 77 5.130 5.130 5.126 0.004 18547 5444 1 6 . 1 1 87 87 CYS C C 77 171.700 171.700 174.718 -3.018 18547 5445 1 6 . 1 1 87 87 CYS CA C 77 54.600 54.600 56.224 -1.624 18547 5446 1 6 . 1 1 87 87 CYS CB C 77 33.000 33.000 29.448 3.552 18547 5447 1 6 . 1 1 87 87 CYS H H 77 10.630 10.630 9.106 1.524 18547 5448 1 6 . 1 1 88 88 GLU N N 78 128.200 128.200 125.372 2.828 18547 5449 1 6 . 1 1 88 88 GLU HA H 78 4.950 4.950 4.766 0.184 18547 5450 1 6 . 1 1 88 88 GLU CA C 78 52.100 52.100 52.920 -0.820 18547 5451 1 6 . 1 1 88 88 GLU CB C 78 30.500 30.500 31.254 -0.754 18547 5452 1 6 . 1 1 88 88 GLU H H 78 9.460 9.460 9.029 0.431 18547 5453 1 6 . 1 1 89 89 PRO HA H 79 2.780 2.780 3.188 -0.408 18547 5454 1 6 . 1 1 89 89 PRO CA C 79 60.500 60.500 60.887 -0.387 18547 5455 1 6 . 1 1 89 89 PRO CB C 79 31.600 31.600 31.078 0.521 18547 5456 1 6 . 1 1 90 90 PRO HA H 80 2.250 2.250 3.112 -0.862 18547 5457 1 6 . 1 1 90 90 PRO C C 80 171.400 171.400 175.895 -4.495 18547 5458 1 6 . 1 1 90 90 PRO CA C 80 63.700 63.700 61.762 1.938 18547 5459 1 6 . 1 1 90 90 PRO CB C 80 30.500 30.500 31.968 -1.468 18547 5460 1 6 . 1 1 91 91 ARG N N 81 113.700 113.700 118.689 -4.989 18547 5461 1 6 . 1 1 91 91 ARG HA H 81 4.700 4.700 4.506 0.194 18547 5462 1 6 . 1 1 91 91 ARG C C 81 176.500 176.500 176.459 0.041 18547 5463 1 6 . 1 1 91 91 ARG CA C 81 57.400 57.400 56.950 0.451 18547 5464 1 6 . 1 1 91 91 ARG CB C 81 34.200 34.200 31.209 2.991 18547 5465 1 6 . 1 1 91 91 ARG H H 81 7.640 7.640 7.618 0.022 18547 5466 1 6 . 1 1 92 92 ARG N N 82 121.000 121.000 116.921 4.079 18547 5467 1 6 . 1 1 92 92 ARG HA H 82 5.700 5.700 5.515 0.185 18547 5468 1 6 . 1 1 92 92 ARG C C 82 172.700 172.700 174.425 -1.725 18547 5469 1 6 . 1 1 92 92 ARG CA C 82 55.900 55.900 54.554 1.346 18547 5470 1 6 . 1 1 92 92 ARG CB C 82 34.100 34.100 34.025 0.075 18547 5471 1 6 . 1 1 92 92 ARG H H 82 7.710 7.710 7.991 -0.281 18547 5472 1 6 . 1 1 93 93 LEU N N 83 130.800 130.800 125.108 5.692 18547 5473 1 6 . 1 1 93 93 LEU HA H 83 5.250 5.250 5.462 -0.212 18547 5474 1 6 . 1 1 93 93 LEU C C 83 174.000 174.000 175.118 -1.118 18547 5475 1 6 . 1 1 93 93 LEU CA C 83 53.700 53.700 54.409 -0.709 18547 5476 1 6 . 1 1 93 93 LEU CB C 83 47.100 47.100 45.401 1.699 18547 5477 1 6 . 1 1 93 93 LEU H H 83 9.080 9.080 9.092 -0.012 18547 5478 1 6 . 1 1 94 94 THR N N 84 124.200 124.200 125.375 -1.175 18547 5479 1 6 . 1 1 94 94 THR HA H 84 5.340 5.340 5.100 0.240 18547 5480 1 6 . 1 1 94 94 THR C C 84 174.100 174.100 173.835 0.265 18547 5481 1 6 . 1 1 94 94 THR CA C 84 62.700 62.700 62.804 -0.104 18547 5482 1 6 . 1 1 94 94 THR CB C 84 69.600 69.600 69.198 0.402 18547 5483 1 6 . 1 1 94 94 THR H H 84 9.310 9.310 8.477 0.833 18547 5484 1 6 . 1 1 95 95 ILE N N 85 121.600 121.600 123.673 -2.073 18547 5485 1 6 . 1 1 95 95 ILE HA H 85 5.630 5.630 4.914 0.716 18547 5486 1 6 . 1 1 95 95 ILE C C 85 175.000 175.000 174.380 0.620 18547 5487 1 6 . 1 1 95 95 ILE CA C 85 59.300 59.300 58.689 0.611 18547 5488 1 6 . 1 1 95 95 ILE CB C 85 40.900 40.900 41.419 -0.519 18547 5489 1 6 . 1 1 95 95 ILE H H 85 9.700 9.700 8.890 0.810 18547 5490 1 6 . 1 1 96 96 SER N N 86 117.900 117.900 116.595 1.305 18547 5491 1 6 . 1 1 96 96 SER HA H 86 5.270 5.270 4.696 0.574 18547 5492 1 6 . 1 1 96 96 SER C C 86 172.200 172.200 174.177 -1.977 18547 5493 1 6 . 1 1 96 96 SER CA C 86 57.600 57.600 59.496 -1.896 18547 5494 1 6 . 1 1 96 96 SER CB C 86 65.700 65.700 64.658 1.042 18547 5495 1 6 . 1 1 96 96 SER H H 86 9.290 9.290 8.319 0.971 18547 5496 1 6 . 1 1 97 97 TRP N N 87 120.000 120.000 123.035 -3.035 18547 5497 1 6 . 1 1 97 97 TRP HA H 87 5.130 5.130 4.964 0.166 18547 5498 1 6 . 1 1 97 97 TRP C C 87 175.500 175.500 173.714 1.786 18547 5499 1 6 . 1 1 97 97 TRP CA C 87 57.900 57.900 57.445 0.455 18547 5500 1 6 . 1 1 97 97 TRP CB C 87 31.500 31.500 32.030 -0.530 18547 5501 1 6 . 1 1 97 97 TRP H H 87 7.790 7.790 8.482 -0.692 18547 5502 1 6 . 1 1 98 98 VAL N N 88 132.200 132.200 127.998 4.202 18547 5503 1 6 . 1 1 98 98 VAL HA H 88 4.460 4.460 4.324 0.136 18547 5504 1 6 . 1 1 98 98 VAL C C 88 175.100 175.100 173.984 1.116 18547 5505 1 6 . 1 1 98 98 VAL CA C 88 62.000 62.000 61.348 0.652 18547 5506 1 6 . 1 1 98 98 VAL CB C 88 32.500 32.500 31.590 0.910 18547 5507 1 6 . 1 1 98 98 VAL H H 88 9.620 9.620 8.422 1.198 18547 5508 1 6 . 1 1 99 99 TYR N N 89 130.300 130.300 129.305 0.995 18547 5509 1 6 . 1 1 99 99 TYR HA H 89 4.440 4.440 4.644 -0.204 18547 5510 1 6 . 1 1 99 99 TYR C C 89 173.900 173.900 175.268 -1.368 18547 5511 1 6 . 1 1 99 99 TYR CA C 89 56.800 56.800 57.911 -1.111 18547 5512 1 6 . 1 1 99 99 TYR CB C 89 42.100 42.100 41.232 0.868 18547 5513 1 6 . 1 1 99 99 TYR H H 89 9.670 9.670 7.964 1.706 18547 5514 1 6 . 1 1 100 100 GLU N N 90 127.100 127.100 124.739 2.361 18547 5515 1 6 . 1 1 100 100 GLU HA H 90 3.940 3.940 4.343 -0.403 18547 5516 1 6 . 1 1 100 100 GLU C C 90 176.700 176.700 177.905 -1.205 18547 5517 1 6 . 1 1 100 100 GLU CA C 90 58.300 58.300 57.555 0.745 18547 5518 1 6 . 1 1 100 100 GLU CB C 90 29.200 29.200 30.171 -0.971 18547 5519 1 6 . 1 1 100 100 GLU H H 90 8.080 8.080 8.096 -0.016 18547 5520 1 6 . 1 1 101 101 GLY N N 91 113.100 113.100 108.035 5.065 18547 5521 1 6 . 1 1 101 101 GLY C C 91 173.900 173.900 174.329 -0.429 18547 5522 1 6 . 1 1 101 101 GLY CA C 91 45.200 45.200 45.743 -0.543 18547 5523 1 6 . 1 1 101 101 GLY H H 91 8.850 8.850 8.852 -0.002 18547 5524 1 6 . 1 1 102 102 LYS N N 92 120.100 120.100 119.813 0.287 18547 5525 1 6 . 1 1 102 102 LYS HA H 92 4.990 4.990 4.759 0.231 18547 5526 1 6 . 1 1 102 102 LYS CA C 92 52.500 52.500 52.761 -0.261 18547 5527 1 6 . 1 1 102 102 LYS CB C 92 33.200 33.200 32.030 1.170 18547 5528 1 6 . 1 1 102 102 LYS H H 92 8.270 8.270 7.970 0.300 18547 5529 1 6 . 1 1 103 103 PRO HA H 93 4.620 4.620 4.379 0.241 18547 5530 1 6 . 1 1 103 103 PRO C C 93 176.700 176.700 176.434 0.266 18547 5531 1 6 . 1 1 103 103 PRO CA C 93 62.400 62.400 62.886 -0.486 18547 5532 1 6 . 1 1 103 103 PRO CB C 93 31.400 31.400 32.381 -0.981 18547 5533 1 6 . 1 1 104 104 ASP N N 94 124.500 124.500 117.004 7.496 18547 5534 1 6 . 1 1 104 104 ASP HA H 94 4.860 4.860 5.084 -0.224 18547 5535 1 6 . 1 1 104 104 ASP C C 94 177.100 177.100 175.827 1.273 18547 5536 1 6 . 1 1 104 104 ASP CA C 94 55.900 55.900 54.013 1.887 18547 5537 1 6 . 1 1 104 104 ASP CB C 94 40.500 40.500 42.577 -2.076 18547 5538 1 6 . 1 1 104 104 ASP H H 94 8.850 8.850 8.521 0.329 18547 5539 1 6 . 1 1 105 105 SER N N 95 118.600 118.600 112.511 6.089 18547 5540 1 6 . 1 1 105 105 SER HA H 95 5.280 5.280 4.884 0.396 18547 5541 1 6 . 1 1 105 105 SER C C 95 173.700 173.700 172.057 1.643 18547 5542 1 6 . 1 1 105 105 SER CA C 95 57.900 57.900 58.135 -0.235 18547 5543 1 6 . 1 1 105 105 SER CB C 95 65.600 65.600 65.785 -0.185 18547 5544 1 6 . 1 1 105 105 SER H H 95 9.260 9.260 8.546 0.714 18547 5545 1 6 . 1 1 106 106 GLU N N 96 124.100 124.100 122.247 1.853 18547 5546 1 6 . 1 1 106 106 GLU HA H 96 5.180 5.180 4.960 0.221 18547 5547 1 6 . 1 1 106 106 GLU C C 96 172.400 172.400 174.258 -1.858 18547 5548 1 6 . 1 1 106 106 GLU CA C 96 57.200 57.200 55.203 1.997 18547 5549 1 6 . 1 1 106 106 GLU CB C 96 36.100 36.100 33.691 2.409 18547 5550 1 6 . 1 1 106 106 GLU H H 96 8.620 8.620 7.966 0.654 18547 5551 1 6 . 1 1 107 107 VAL N N 97 128.100 128.100 126.156 1.944 18547 5552 1 6 . 1 1 107 107 VAL HA H 97 4.770 4.770 4.787 -0.017 18547 5553 1 6 . 1 1 107 107 VAL C C 97 173.100 173.100 174.564 -1.464 18547 5554 1 6 . 1 1 107 107 VAL CA C 97 60.100 60.100 60.454 -0.354 18547 5555 1 6 . 1 1 107 107 VAL CB C 97 34.200 34.200 34.327 -0.127 18547 5556 1 6 . 1 1 107 107 VAL H H 97 9.180 9.180 8.685 0.495 18547 5557 1 6 . 1 1 108 108 GLU N N 98 126.200 126.200 124.128 2.072 18547 5558 1 6 . 1 1 108 108 GLU HA H 98 5.580 5.580 5.113 0.467 18547 5559 1 6 . 1 1 108 108 GLU C C 98 172.100 172.100 174.483 -2.383 18547 5560 1 6 . 1 1 108 108 GLU CA C 98 54.200 54.200 54.516 -0.316 18547 5561 1 6 . 1 1 108 108 GLU CB C 98 35.200 35.200 33.580 1.620 18547 5562 1 6 . 1 1 108 108 GLU H H 98 9.300 9.300 8.805 0.495 18547 5563 1 6 . 1 1 109 109 LEU N N 99 128.600 128.600 125.369 3.231 18547 5564 1 6 . 1 1 109 109 LEU HA H 99 5.080 5.080 4.947 0.133 18547 5565 1 6 . 1 1 109 109 LEU C C 99 175.100 175.100 174.714 0.386 18547 5566 1 6 . 1 1 109 109 LEU CA C 99 52.700 52.700 53.609 -0.909 18547 5567 1 6 . 1 1 109 109 LEU CB C 99 46.400 46.400 45.141 1.259 18547 5568 1 6 . 1 1 109 109 LEU H H 99 9.330 9.330 8.683 0.647 18547 5569 1 6 . 1 1 110 110 ARG N N 100 124.700 124.700 125.714 -1.014 18547 5570 1 6 . 1 1 110 110 ARG HA H 100 5.390 5.390 4.904 0.486 18547 5571 1 6 . 1 1 110 110 ARG C C 100 175.400 175.400 174.520 0.880 18547 5572 1 6 . 1 1 110 110 ARG CA C 100 54.600 54.600 54.743 -0.143 18547 5573 1 6 . 1 1 110 110 ARG CB C 100 34.100 34.100 33.548 0.552 18547 5574 1 6 . 1 1 110 110 ARG H H 100 9.430 9.430 8.698 0.732 18547 5575 1 6 . 1 1 111 111 LEU N N 101 122.900 122.900 125.241 -2.341 18547 5576 1 6 . 1 1 111 111 LEU HA H 101 5.620 5.620 5.742 -0.122 18547 5577 1 6 . 1 1 111 111 LEU C C 101 177.100 177.100 175.577 1.523 18547 5578 1 6 . 1 1 111 111 LEU CA C 101 53.000 53.000 53.583 -0.583 18547 5579 1 6 . 1 1 111 111 LEU CB C 101 44.900 44.900 46.052 -1.152 18547 5580 1 6 . 1 1 111 111 LEU H H 101 9.120 9.120 8.441 0.679 18547 5581 1 6 . 1 1 112 112 SER N N 102 113.800 113.800 116.634 -2.834 18547 5582 1 6 . 1 1 112 112 SER HA H 102 4.690 4.690 4.633 0.057 18547 5583 1 6 . 1 1 112 112 SER C C 102 172.700 172.700 172.560 0.140 18547 5584 1 6 . 1 1 112 112 SER CA C 102 57.000 57.000 57.034 -0.034 18547 5585 1 6 . 1 1 112 112 SER CB C 102 65.700 65.700 65.866 -0.166 18547 5586 1 6 . 1 1 112 112 SER H H 102 8.770 8.770 8.539 0.231 18547 5587 1 6 . 1 1 113 113 GLU N N 103 123.400 123.400 124.638 -1.238 18547 5588 1 6 . 1 1 113 113 GLU HA H 103 4.440 4.440 4.406 0.034 18547 5589 1 6 . 1 1 113 113 GLU C C 103 176.600 176.600 176.300 0.300 18547 5590 1 6 . 1 1 113 113 GLU CA C 103 57.500 57.500 57.697 -0.197 18547 5591 1 6 . 1 1 113 113 GLU CB C 103 30.200 30.200 30.212 -0.012 18547 5592 1 6 . 1 1 113 113 GLU H H 103 9.200 9.200 8.555 0.645 18547 5593 1 6 . 1 1 114 114 GLU N N 104 126.500 126.500 123.978 2.522 18547 5594 1 6 . 1 1 114 114 GLU HA H 104 4.450 4.450 4.525 -0.075 18547 5595 1 6 . 1 1 114 114 GLU C C 104 175.600 175.600 177.044 -1.444 18547 5596 1 6 . 1 1 114 114 GLU CA C 104 55.700 55.700 55.828 -0.128 18547 5597 1 6 . 1 1 114 114 GLU CB C 104 31.300 31.300 31.098 0.202 18547 5598 1 6 . 1 1 114 114 GLU H H 104 8.110 8.110 8.331 -0.221 18547 5599 1 6 . 1 1 115 115 GLY N N 105 118.000 118.000 118.112 -0.112 18547 5600 1 6 . 1 1 115 115 GLY C C 105 174.700 174.700 174.605 0.095 18547 5601 1 6 . 1 1 115 115 GLY CA C 105 47.100 47.100 47.034 0.066 18547 5602 1 6 . 1 1 115 115 GLY H H 105 9.030 9.030 8.755 0.275 18547 5603 1 6 . 1 1 116 116 ASP N N 106 126.200 126.200 125.946 0.254 18547 5604 1 6 . 1 1 116 116 ASP HA H 106 4.750 4.750 4.875 -0.125 18547 5605 1 6 . 1 1 116 116 ASP C C 106 175.600 175.600 176.678 -1.078 18547 5606 1 6 . 1 1 116 116 ASP CA C 106 54.300 54.300 53.518 0.782 18547 5607 1 6 . 1 1 116 116 ASP CB C 106 40.800 40.800 41.750 -0.950 18547 5608 1 6 . 1 1 116 116 ASP H H 106 8.800 8.800 8.637 0.163 18547 5609 1 6 . 1 1 117 117 GLY N N 107 109.500 109.500 108.207 1.293 18547 5610 1 6 . 1 1 117 117 GLY C C 107 174.400 174.400 173.100 1.300 18547 5611 1 6 . 1 1 117 117 GLY CA C 107 44.800 44.800 44.817 -0.017 18547 5612 1 6 . 1 1 117 117 GLY H H 107 8.040 8.040 7.938 0.102 18547 5613 1 6 . 1 1 118 118 THR N N 108 120.400 120.400 115.367 5.033 18547 5614 1 6 . 1 1 118 118 THR HA H 108 4.970 4.970 4.938 0.032 18547 5615 1 6 . 1 1 118 118 THR C C 108 173.000 173.000 172.656 0.344 18547 5616 1 6 . 1 1 118 118 THR CA C 108 63.500 63.500 62.696 0.805 18547 5617 1 6 . 1 1 118 118 THR CB C 108 73.000 73.000 72.631 0.369 18547 5618 1 6 . 1 1 118 118 THR H H 108 9.010 9.010 8.609 0.401 18547 5619 1 6 . 1 1 119 119 LEU N N 109 129.000 129.000 127.973 1.027 18547 5620 1 6 . 1 1 119 119 LEU HA H 109 4.790 4.790 5.354 -0.564 18547 5621 1 6 . 1 1 119 119 LEU C C 109 173.500 173.500 174.373 -0.873 18547 5622 1 6 . 1 1 119 119 LEU CA C 109 54.300 54.300 53.653 0.647 18547 5623 1 6 . 1 1 119 119 LEU CB C 109 42.900 42.900 44.529 -1.629 18547 5624 1 6 . 1 1 119 119 LEU H H 109 9.410 9.410 8.938 0.472 18547 5625 1 6 . 1 1 120 120 LEU N N 110 132.200 132.200 128.354 3.846 18547 5626 1 6 . 1 1 120 120 LEU HA H 110 4.820 4.820 5.559 -0.739 18547 5627 1 6 . 1 1 120 120 LEU C C 110 174.100 174.100 174.909 -0.809 18547 5628 1 6 . 1 1 120 120 LEU CA C 110 54.900 54.900 53.569 1.331 18547 5629 1 6 . 1 1 120 120 LEU CB C 110 45.300 45.300 45.056 0.244 18547 5630 1 6 . 1 1 120 120 LEU H H 110 9.430 9.430 8.895 0.535 18547 5631 1 6 . 1 1 121 121 GLU N N 111 125.800 125.800 126.701 -0.901 18547 5632 1 6 . 1 1 121 121 GLU HA H 111 5.530 5.530 4.938 0.592 18547 5633 1 6 . 1 1 121 121 GLU C C 111 173.500 173.500 174.921 -1.421 18547 5634 1 6 . 1 1 121 121 GLU CA C 111 54.500 54.500 54.750 -0.250 18547 5635 1 6 . 1 1 121 121 GLU CB C 111 33.100 33.100 31.440 1.660 18547 5636 1 6 . 1 1 121 121 GLU H H 111 8.970 8.970 8.860 0.110 18547 5637 1 6 . 1 1 122 122 LEU N N 112 127.300 127.300 128.672 -1.372 18547 5638 1 6 . 1 1 122 122 LEU HA H 112 5.030 5.030 5.169 -0.139 18547 5639 1 6 . 1 1 122 122 LEU C C 112 173.700 173.700 175.142 -1.442 18547 5640 1 6 . 1 1 122 122 LEU CA C 112 53.200 53.200 53.364 -0.164 18547 5641 1 6 . 1 1 122 122 LEU CB C 112 45.400 45.400 44.229 1.171 18547 5642 1 6 . 1 1 122 122 LEU H H 112 8.950 8.950 8.539 0.411 18547 5643 1 6 . 1 1 123 123 GLU N N 113 127.900 127.900 127.784 0.116 18547 5644 1 6 . 1 1 123 123 GLU HA H 113 5.750 5.750 5.277 0.473 18547 5645 1 6 . 1 1 123 123 GLU C C 113 174.200 174.200 175.122 -0.922 18547 5646 1 6 . 1 1 123 123 GLU CA C 113 52.900 52.900 54.767 -1.867 18547 5647 1 6 . 1 1 123 123 GLU CB C 113 33.300 33.300 31.840 1.460 18547 5648 1 6 . 1 1 123 123 GLU H H 113 9.350 9.350 8.564 0.786 18547 5649 1 6 . 1 1 124 124 HIS N N 114 128.200 128.200 124.665 3.535 18547 5650 1 6 . 1 1 124 124 HIS HA H 114 5.240 5.240 5.050 0.190 18547 5651 1 6 . 1 1 124 124 HIS C C 114 173.900 173.900 172.923 0.977 18547 5652 1 6 . 1 1 124 124 HIS CA C 114 54.300 54.300 54.611 -0.311 18547 5653 1 6 . 1 1 124 124 HIS CB C 114 34.600 34.600 33.057 1.543 18547 5654 1 6 . 1 1 124 124 HIS H H 114 8.770 8.770 8.176 0.594 18547 5655 1 6 . 1 1 125 125 ALA N N 115 128.600 128.600 130.693 -2.093 18547 5656 1 6 . 1 1 125 125 ALA HA H 115 5.150 5.150 5.587 -0.437 18547 5657 1 6 . 1 1 125 125 ALA C C 115 175.400 175.400 175.525 -0.125 18547 5658 1 6 . 1 1 125 125 ALA CA C 115 50.100 50.100 50.487 -0.387 18547 5659 1 6 . 1 1 125 125 ALA CB C 115 22.500 22.500 21.887 0.613 18547 5660 1 6 . 1 1 125 125 ALA H H 115 9.360 9.360 8.461 0.899 18547 5661 1 6 . 1 1 126 126 THR N N 116 115.800 115.800 118.538 -2.738 18547 5662 1 6 . 1 1 126 126 THR HA H 116 4.960 4.960 4.750 0.210 18547 5663 1 6 . 1 1 126 126 THR C C 116 172.200 172.200 174.949 -2.749 18547 5664 1 6 . 1 1 126 126 THR CA C 116 58.800 58.800 59.982 -1.182 18547 5665 1 6 . 1 1 126 126 THR CB C 116 69.200 69.200 70.783 -1.583 18547 5666 1 6 . 1 1 126 126 THR H H 116 8.760 8.760 8.158 0.602 18547 5667 1 6 . 1 1 127 127 THR N N 117 116.000 116.000 115.874 0.126 18547 5668 1 6 . 1 1 127 127 THR HA H 117 4.390 4.390 4.386 0.004 18547 5669 1 6 . 1 1 127 127 THR C C 117 174.400 174.400 175.171 -0.771 18547 5670 1 6 . 1 1 127 127 THR CA C 117 62.900 62.900 63.000 -0.100 18547 5671 1 6 . 1 1 127 127 THR CB C 117 68.800 68.800 69.090 -0.290 18547 5672 1 6 . 1 1 127 127 THR H H 117 8.460 8.460 8.763 -0.303 18547 5673 1 6 . 1 1 128 128 SER N N 118 116.400 116.400 118.543 -2.143 18547 5674 1 6 . 1 1 128 128 SER HA H 118 4.890 4.890 4.636 0.254 18547 5675 1 6 . 1 1 128 128 SER C C 118 174.700 174.700 174.541 0.159 18547 5676 1 6 . 1 1 128 128 SER CA C 118 55.400 55.400 57.432 -2.032 18547 5677 1 6 . 1 1 128 128 SER CB C 118 63.000 63.000 64.267 -1.267 18547 5678 1 6 . 1 1 128 128 SER H H 118 7.730 7.730 7.515 0.215 18547 5679 1 6 . 1 1 129 129 GLU N N 119 130.300 130.300 127.583 2.717 18547 5680 1 6 . 1 1 129 129 GLU HA H 119 3.940 3.940 3.906 0.034 18547 5681 1 6 . 1 1 129 129 GLU C C 119 178.400 178.400 178.509 -0.109 18547 5682 1 6 . 1 1 129 129 GLU CA C 119 59.900 59.900 60.512 -0.612 18547 5683 1 6 . 1 1 129 129 GLU CB C 119 29.700 29.700 29.633 0.067 18547 5684 1 6 . 1 1 129 129 GLU H H 119 9.000 9.000 9.171 -0.171 18547 5685 1 6 . 1 1 130 130 GLN N N 120 117.300 117.300 117.690 -0.390 18547 5686 1 6 . 1 1 130 130 GLN HA H 120 4.120 4.120 4.044 0.076 18547 5687 1 6 . 1 1 130 130 GLN C C 120 177.900 177.900 177.998 -0.098 18547 5688 1 6 . 1 1 130 130 GLN CA C 120 58.400 58.400 58.710 -0.310 18547 5689 1 6 . 1 1 130 130 GLN CB C 120 28.000 28.000 28.026 -0.026 18547 5690 1 6 . 1 1 130 130 GLN H H 120 8.410 8.410 8.563 -0.153 18547 5691 1 6 . 1 1 131 131 MET N N 121 118.300 118.300 119.936 -1.636 18547 5692 1 6 . 1 1 131 131 MET HA H 121 4.240 4.240 4.100 0.140 18547 5693 1 6 . 1 1 131 131 MET C C 121 176.400 176.400 178.193 -1.793 18547 5694 1 6 . 1 1 131 131 MET CA C 121 57.300 57.300 58.396 -1.096 18547 5695 1 6 . 1 1 131 131 MET CB C 121 32.400 32.400 32.225 0.175 18547 5696 1 6 . 1 1 131 131 MET H H 121 7.640 7.640 7.964 -0.324 18547 5697 1 6 . 1 1 132 132 LEU N N 122 118.700 118.700 119.152 -0.452 18547 5698 1 6 . 1 1 132 132 LEU HA H 122 3.630 3.630 3.861 -0.231 18547 5699 1 6 . 1 1 132 132 LEU C C 122 177.100 177.100 179.204 -2.104 18547 5700 1 6 . 1 1 132 132 LEU CA C 122 58.300 58.300 57.811 0.489 18547 5701 1 6 . 1 1 132 132 LEU CB C 122 41.900 41.900 41.659 0.241 18547 5702 1 6 . 1 1 132 132 LEU H H 122 7.470 7.470 7.948 -0.478 18547 5703 1 6 . 1 1 133 133 VAL N N 123 114.600 114.600 118.371 -3.771 18547 5704 1 6 . 1 1 133 133 VAL HA H 123 3.360 3.360 3.612 -0.252 18547 5705 1 6 . 1 1 133 133 VAL C C 123 176.700 176.700 177.970 -1.270 18547 5706 1 6 . 1 1 133 133 VAL CA C 123 66.600 66.600 66.094 0.506 18547 5707 1 6 . 1 1 133 133 VAL CB C 123 31.800 31.800 30.815 0.985 18547 5708 1 6 . 1 1 133 133 VAL H H 123 7.040 7.040 7.534 -0.494 18547 5709 1 6 . 1 1 134 134 GLU N N 124 116.700 116.700 120.727 -4.027 18547 5710 1 6 . 1 1 134 134 GLU HA H 124 3.900 3.900 3.808 0.092 18547 5711 1 6 . 1 1 134 134 GLU C C 124 180.700 180.700 178.947 1.753 18547 5712 1 6 . 1 1 134 134 GLU CA C 124 59.300 59.300 59.824 -0.524 18547 5713 1 6 . 1 1 134 134 GLU CB C 124 29.900 29.900 29.730 0.170 18547 5714 1 6 . 1 1 134 134 GLU H H 124 7.200 7.200 8.300 -1.100 18547 5715 1 6 . 1 1 135 135 VAL N N 125 114.700 114.700 114.868 -0.168 18547 5716 1 6 . 1 1 135 135 VAL HA H 125 3.930 3.930 3.653 0.277 18547 5717 1 6 . 1 1 135 135 VAL C C 125 177.900 177.900 177.768 0.132 18547 5718 1 6 . 1 1 135 135 VAL CA C 125 63.800 63.800 65.032 -1.232 18547 5719 1 6 . 1 1 135 135 VAL CB C 125 30.400 30.400 30.031 0.369 18547 5720 1 6 . 1 1 135 135 VAL H H 125 8.620 8.620 7.956 0.664 18547 5721 1 6 . 1 1 136 136 GLY N N 126 112.200 112.200 109.401 2.799 18547 5722 1 6 . 1 1 136 136 GLY C C 126 174.800 174.800 175.805 -1.005 18547 5723 1 6 . 1 1 136 136 GLY CA C 126 47.200 47.200 46.852 0.348 18547 5724 1 6 . 1 1 136 136 GLY H H 126 7.750 7.750 7.514 0.236 18547 5725 1 6 . 1 1 137 137 VAL N N 127 119.100 119.100 121.772 -2.672 18547 5726 1 6 . 1 1 137 137 VAL HA H 127 3.510 3.510 3.693 -0.183 18547 5727 1 6 . 1 1 137 137 VAL C C 127 179.100 179.100 177.928 1.172 18547 5728 1 6 . 1 1 137 137 VAL CA C 127 67.400 67.400 65.655 1.745 18547 5729 1 6 . 1 1 137 137 VAL CB C 127 32.500 32.500 31.538 0.962 18547 5730 1 6 . 1 1 137 137 VAL H H 127 7.680 7.680 7.782 -0.102 18547 5731 1 6 . 1 1 138 138 GLY N N 128 106.300 106.300 108.172 -1.872 18547 5732 1 6 . 1 1 138 138 GLY C C 128 177.900 177.900 175.392 2.508 18547 5733 1 6 . 1 1 138 138 GLY CA C 128 47.300 47.300 47.025 0.275 18547 5734 1 6 . 1 1 138 138 GLY H H 128 8.210 8.210 8.114 0.096 18547 5735 1 6 . 1 1 139 139 TRP N N 129 122.500 122.500 121.416 1.084 18547 5736 1 6 . 1 1 139 139 TRP HA H 129 4.890 4.890 4.145 0.745 18547 5737 1 6 . 1 1 139 139 TRP C C 129 179.100 179.100 178.836 0.264 18547 5738 1 6 . 1 1 139 139 TRP CA C 129 59.800 59.800 59.263 0.537 18547 5739 1 6 . 1 1 139 139 TRP CB C 129 30.100 30.100 29.181 0.919 18547 5740 1 6 . 1 1 139 139 TRP H H 129 8.880 8.880 7.661 1.219 18547 5741 1 6 . 1 1 140 140 GLU N N 130 119.000 119.000 119.682 -0.682 18547 5742 1 6 . 1 1 140 140 GLU HA H 130 4.020 4.020 3.931 0.089 18547 5743 1 6 . 1 1 140 140 GLU C C 130 179.300 179.300 179.140 0.160 18547 5744 1 6 . 1 1 140 140 GLU CA C 130 62.900 62.900 59.408 3.491 18547 5745 1 6 . 1 1 140 140 GLU CB C 130 30.600 30.600 29.153 1.447 18547 5746 1 6 . 1 1 140 140 GLU H H 130 8.210 8.210 7.582 0.628 18547 5747 1 6 . 1 1 141 141 MET N N 131 117.100 117.100 117.342 -0.242 18547 5748 1 6 . 1 1 141 141 MET HA H 131 4.330 4.330 3.866 0.464 18547 5749 1 6 . 1 1 141 141 MET C C 131 178.500 178.500 178.312 0.188 18547 5750 1 6 . 1 1 141 141 MET CA C 131 57.700 57.700 56.861 0.839 18547 5751 1 6 . 1 1 141 141 MET CB C 131 30.600 30.600 31.402 -0.802 18547 5752 1 6 . 1 1 141 141 MET H H 131 8.210 8.210 7.824 0.386 18547 5753 1 6 . 1 1 142 142 ALA N N 132 121.400 121.400 123.231 -1.831 18547 5754 1 6 . 1 1 142 142 ALA HA H 132 4.720 4.720 4.226 0.494 18547 5755 1 6 . 1 1 142 142 ALA C C 132 180.900 180.900 179.315 1.585 18547 5756 1 6 . 1 1 142 142 ALA CA C 132 55.700 55.700 55.362 0.338 18547 5757 1 6 . 1 1 142 142 ALA CB C 132 18.200 18.200 18.191 0.009 18547 5758 1 6 . 1 1 142 142 ALA H H 132 7.910 7.910 8.279 -0.369 18547 5759 1 6 . 1 1 143 143 LEU N N 133 117.200 117.200 117.554 -0.354 18547 5760 1 6 . 1 1 143 143 LEU HA H 133 4.150 4.150 3.850 0.300 18547 5761 1 6 . 1 1 143 143 LEU C C 133 180.300 180.300 179.150 1.150 18547 5762 1 6 . 1 1 143 143 LEU CA C 133 57.300 57.300 57.043 0.257 18547 5763 1 6 . 1 1 143 143 LEU CB C 133 40.600 40.600 40.256 0.344 18547 5764 1 6 . 1 1 143 143 LEU H H 133 9.190 9.190 7.911 1.279 18547 5765 1 6 . 1 1 144 144 ASP N N 134 122.600 122.600 120.807 1.793 18547 5766 1 6 . 1 1 144 144 ASP HA H 134 4.580 4.580 4.323 0.257 18547 5767 1 6 . 1 1 144 144 ASP C C 134 179.900 179.900 178.407 1.493 18547 5768 1 6 . 1 1 144 144 ASP CA C 134 57.800 57.800 57.138 0.662 18547 5769 1 6 . 1 1 144 144 ASP CB C 134 39.800 39.800 40.741 -0.941 18547 5770 1 6 . 1 1 144 144 ASP H H 134 7.930 7.930 7.701 0.229 18547 5771 1 6 . 1 1 145 145 PHE N N 135 119.300 119.300 118.132 1.168 18547 5772 1 6 . 1 1 145 145 PHE HA H 135 4.580 4.580 4.366 0.214 18547 5773 1 6 . 1 1 145 145 PHE C C 135 178.000 178.000 177.743 0.257 18547 5774 1 6 . 1 1 145 145 PHE CA C 135 61.700 61.700 59.656 2.044 18547 5775 1 6 . 1 1 145 145 PHE CB C 135 39.400 39.400 38.411 0.989 18547 5776 1 6 . 1 1 145 145 PHE H H 135 7.690 7.690 7.917 -0.227 18547 5777 1 6 . 1 1 146 146 LEU N N 136 124.400 124.400 122.567 1.833 18547 5778 1 6 . 1 1 146 146 LEU HA H 136 3.200 3.200 3.493 -0.292 18547 5779 1 6 . 1 1 146 146 LEU C C 136 178.800 178.800 178.450 0.350 18547 5780 1 6 . 1 1 146 146 LEU CA C 136 58.400 58.400 57.293 1.107 18547 5781 1 6 . 1 1 146 146 LEU CB C 136 38.800 38.800 40.748 -1.948 18547 5782 1 6 . 1 1 146 146 LEU H H 136 7.930 7.930 7.717 0.213 18547 5783 1 6 . 1 1 147 147 GLY N N 137 104.200 104.200 106.546 -2.346 18547 5784 1 6 . 1 1 147 147 GLY C C 137 176.100 176.100 176.216 -0.116 18547 5785 1 6 . 1 1 147 147 GLY CA C 137 47.900 47.900 47.633 0.267 18547 5786 1 6 . 1 1 147 147 GLY H H 137 8.340 8.340 8.291 0.049 18547 5787 1 6 . 1 1 148 148 MET N N 138 119.300 119.300 120.908 -1.608 18547 5788 1 6 . 1 1 148 148 MET HA H 138 4.090 4.090 4.128 -0.038 18547 5789 1 6 . 1 1 148 148 MET C C 138 177.700 177.700 178.093 -0.393 18547 5790 1 6 . 1 1 148 148 MET CA C 138 59.400 59.400 59.042 0.358 18547 5791 1 6 . 1 1 148 148 MET CB C 138 34.500 34.500 32.698 1.802 18547 5792 1 6 . 1 1 148 148 MET H H 138 7.550 7.550 7.896 -0.346 18547 5793 1 6 . 1 1 149 149 PHE N N 139 120.400 120.400 120.349 0.051 18547 5794 1 6 . 1 1 149 149 PHE HA H 139 4.380 4.380 4.285 0.095 18547 5795 1 6 . 1 1 149 149 PHE C C 139 179.100 179.100 177.772 1.328 18547 5796 1 6 . 1 1 149 149 PHE CA C 139 60.800 60.800 61.386 -0.587 18547 5797 1 6 . 1 1 149 149 PHE CB C 139 39.200 39.200 39.195 0.005 18547 5798 1 6 . 1 1 149 149 PHE H H 139 8.600 8.600 7.826 0.774 18547 5799 1 6 . 1 1 150 150 ILE N N 140 121.300 121.300 118.045 3.255 18547 5800 1 6 . 1 1 150 150 ILE HA H 140 3.420 3.420 3.746 -0.326 18547 5801 1 6 . 1 1 150 150 ILE C C 140 177.500 177.500 177.065 0.435 18547 5802 1 6 . 1 1 150 150 ILE CA C 140 63.100 63.100 63.696 -0.596 18547 5803 1 6 . 1 1 150 150 ILE CB C 140 37.100 37.100 38.336 -1.236 18547 5804 1 6 . 1 1 150 150 ILE H H 140 8.780 8.780 8.189 0.591 18547 5805 1 6 . 1 1 151 151 ARG N N 141 116.500 116.500 117.818 -1.318 18547 5806 1 6 . 1 1 151 151 ARG HA H 141 4.220 4.220 4.219 0.001 18547 5807 1 6 . 1 1 151 151 ARG C C 141 176.700 176.700 177.206 -0.506 18547 5808 1 6 . 1 1 151 151 ARG CA C 141 57.500 57.500 57.154 0.346 18547 5809 1 6 . 1 1 151 151 ARG CB C 141 31.500 31.500 30.790 0.710 18547 5810 1 6 . 1 1 151 151 ARG H H 141 7.730 7.730 7.872 -0.142 18547 5811 1 6 . 1 1 152 152 GLY N N 142 106.800 106.800 107.992 -1.192 18547 5812 1 6 . 1 1 152 152 GLY C C 142 174.900 174.900 174.308 0.592 18547 5813 1 6 . 1 1 152 152 GLY CA C 142 45.700 45.700 44.968 0.732 18547 5814 1 6 . 1 1 152 152 GLY H H 142 7.570 7.570 8.010 -0.440 18547 5815 1 6 . 1 1 153 153 ASP N N 143 119.400 119.400 120.574 -1.174 18547 5816 1 6 . 1 1 153 153 ASP HA H 143 4.780 4.780 4.659 0.121 18547 5817 1 6 . 1 1 153 153 ASP C C 143 175.400 175.400 176.718 -1.318 18547 5818 1 6 . 1 1 153 153 ASP CA C 143 54.200 54.200 54.185 0.015 18547 5819 1 6 . 1 1 153 153 ASP CB C 143 42.100 42.100 41.279 0.821 18547 5820 1 6 . 1 1 153 153 ASP H H 143 8.290 8.290 8.158 0.132 18547 5821 1 6 . 1 1 154 154 LEU N N 144 121.300 121.300 121.803 -0.503 18547 5822 1 6 . 1 1 154 154 LEU HA H 144 4.810 4.810 4.684 0.126 18547 5823 1 6 . 1 1 154 154 LEU CA C 144 52.800 52.800 52.418 0.382 18547 5824 1 6 . 1 1 154 154 LEU CB C 144 42.500 42.500 41.706 0.794 18547 5825 1 6 . 1 1 154 154 LEU H H 144 8.010 8.010 7.472 0.538 18547 5826 1 6 . 1 1 155 155 PRO HA H 145 4.480 4.480 4.432 0.048 18547 5827 1 6 . 1 1 155 155 PRO C C 145 177.600 177.600 177.086 0.514 18547 5828 1 6 . 1 1 155 155 PRO CA C 145 63.500 63.500 64.102 -0.602 18547 5829 1 6 . 1 1 155 155 PRO CB C 145 32.200 32.200 32.318 -0.118 18547 5830 1 6 . 1 1 156 156 GLY N N 146 108.900 108.900 104.961 3.939 18547 5831 1 6 . 1 1 156 156 GLY C C 146 174.300 174.300 173.269 1.031 18547 5832 1 6 . 1 1 156 156 GLY CA C 146 45.100 45.100 45.063 0.037 18547 5833 1 6 . 1 1 156 156 GLY H H 146 8.530 8.530 8.208 0.322 18547 5834 1 6 . 1 1 157 157 GLY N N 147 108.800 108.800 108.260 0.540 18547 5835 1 6 . 1 1 157 157 GLY CA C 147 44.500 44.500 42.568 1.932 18547 5836 1 6 . 1 1 157 157 GLY H H 147 8.080 8.080 7.715 0.365 18547 5837 1 6 . 1 1 158 158 PRO HA H 148 4.440 4.440 4.270 0.170 18547 5838 1 6 . 1 1 158 158 PRO C C 148 176.800 176.800 175.682 1.118 18547 5839 1 6 . 1 1 158 158 PRO CA C 148 63.000 63.000 64.043 -1.043 18547 5840 1 6 . 1 1 158 158 PRO CB C 148 32.100 32.100 31.354 0.746 18547 5841 1 6 . 1 1 159 159 VAL N N 149 121.400 121.400 112.331 9.069 18547 5842 1 6 . 1 1 159 159 VAL HA H 149 4.390 4.390 4.465 -0.075 18547 5843 1 6 . 1 1 159 159 VAL CA C 149 59.800 59.800 58.066 1.734 18547 5844 1 6 . 1 1 159 159 VAL CB C 149 32.600 32.600 32.751 -0.151 18547 5845 1 6 . 1 1 159 159 VAL H H 149 8.220 8.220 7.137 1.083 18547 5846 1 6 . 1 1 160 160 PRO HA H 150 4.380 4.380 4.354 0.026 18547 5847 1 6 . 1 1 160 160 PRO C C 150 177.200 177.200 177.063 0.137 18547 5848 1 6 . 1 1 160 160 PRO CA C 150 63.300 63.300 65.551 -2.251 18547 5849 1 6 . 1 1 160 160 PRO CB C 150 32.100 32.100 32.449 -0.349 18547 5850 1 6 . 1 1 161 161 GLU N N 151 120.700 120.700 114.905 5.795 18547 5851 1 6 . 1 1 161 161 GLU HA H 151 4.170 4.170 4.430 -0.260 18547 5852 1 6 . 1 1 161 161 GLU CA C 151 57.400 57.400 56.752 0.648 18547 5853 1 6 . 1 1 161 161 GLU CB C 151 29.900 29.900 29.708 0.192 18547 5854 1 6 . 1 1 161 161 GLU H H 151 8.620 8.620 8.122 0.498 18547 5855 1 6 . 1 1 162 162 ASP N N 152 119.900 119.900 121.444 -1.544 18547 5856 1 6 . 1 1 162 162 ASP HA H 152 4.570 4.570 4.958 -0.388 18547 5857 1 6 . 1 1 162 162 ASP C C 152 176.000 176.000 175.763 0.237 18547 5858 1 6 . 1 1 162 162 ASP CA C 152 54.200 54.200 54.243 -0.043 18547 5859 1 6 . 1 1 162 162 ASP CB C 152 41.000 41.000 39.396 1.604 18547 5860 1 6 . 1 1 162 162 ASP H H 152 8.250 8.250 8.551 -0.301 18547 5861 1 6 . 1 1 163 163 ALA N N 153 124.000 124.000 122.014 1.986 18547 5862 1 6 . 1 1 163 163 ALA HA H 153 4.270 4.270 4.306 -0.036 18547 5863 1 6 . 1 1 163 163 ALA C C 153 177.400 177.400 177.082 0.318 18547 5864 1 6 . 1 1 163 163 ALA CA C 153 52.700 52.700 51.660 1.040 18547 5865 1 6 . 1 1 163 163 ALA CB C 153 19.200 19.200 18.782 0.418 18547 5866 1 6 . 1 1 163 163 ALA H H 153 8.040 8.040 7.667 0.373 18547 5867 1 6 . 1 1 164 164 ALA N N 154 122.600 122.600 119.699 2.901 18547 5868 1 6 . 1 1 164 164 ALA HA H 154 4.260 4.260 4.125 0.135 18547 5869 1 6 . 1 1 164 164 ALA C C 154 177.900 177.900 176.309 1.591 18547 5870 1 6 . 1 1 164 164 ALA CA C 154 52.600 52.600 52.620 -0.020 18547 5871 1 6 . 1 1 164 164 ALA CB C 154 19.300 19.300 18.540 0.760 18547 5872 1 6 . 1 1 164 164 ALA H H 154 8.190 8.190 7.666 0.524 18547 5873 1 6 . 1 1 165 165 GLU N N 155 119.400 119.400 119.885 -0.485 18547 5874 1 6 . 1 1 165 165 GLU HA H 155 4.220 4.220 4.345 -0.125 18547 5875 1 6 . 1 1 165 165 GLU C C 155 176.200 176.200 176.361 -0.161 18547 5876 1 6 . 1 1 165 165 GLU CA C 155 56.500 56.500 56.700 -0.200 18547 5877 1 6 . 1 1 165 165 GLU CB C 155 30.300 30.300 30.329 -0.029 18547 5878 1 6 . 1 1 165 165 GLU H H 155 8.190 8.190 8.448 -0.258 18547 5879 1 6 . 1 1 166 166 GLU N N 156 121.000 121.000 118.965 2.035 18547 5880 1 6 . 1 1 166 166 GLU HA H 156 4.240 4.240 4.496 -0.256 18547 5881 1 6 . 1 1 166 166 GLU C C 156 175.800 175.800 175.756 0.044 18547 5882 1 6 . 1 1 166 166 GLU CA C 156 56.300 56.300 56.633 -0.333 18547 5883 1 6 . 1 1 166 166 GLU CB C 156 30.300 30.300 30.529 -0.229 18547 5884 1 6 . 1 1 166 166 GLU H H 156 8.230 8.230 8.365 -0.135 18547 5885 1 6 . 1 1 167 167 PHE N N 157 121.400 121.400 122.354 -0.954 18547 5886 1 6 . 1 1 167 167 PHE HA H 157 4.590 4.590 4.730 -0.140 18547 5887 1 6 . 1 1 167 167 PHE C C 157 175.100 175.100 174.759 0.341 18547 5888 1 6 . 1 1 167 167 PHE CA C 157 57.700 57.700 57.513 0.187 18547 5889 1 6 . 1 1 167 167 PHE CB C 157 39.900 39.900 40.016 -0.116 18547 5890 1 6 . 1 1 167 167 PHE H H 157 8.240 8.240 8.269 -0.029 18547 5891 1 6 . 1 1 168 168 GLU N N 158 124.400 124.400 128.642 -4.242 18547 5892 1 6 . 1 1 168 168 GLU HA H 158 4.600 4.600 4.519 0.081 18547 5893 1 6 . 1 1 168 168 GLU CA C 158 53.700 53.700 52.414 1.286 18547 5894 1 6 . 1 1 168 168 GLU CB C 158 30.400 30.400 30.666 -0.266 18547 5895 1 6 . 1 1 168 168 GLU H H 158 8.130 8.130 8.342 -0.212 18547 5896 1 6 . 1 1 169 169 PRO HA H 159 4.460 4.460 4.228 0.232 18547 5897 1 6 . 1 1 169 169 PRO C C 159 176.200 176.200 176.263 -0.063 18547 5898 1 6 . 1 1 169 169 PRO CA C 159 62.800 62.800 63.372 -0.572 18547 5899 1 6 . 1 1 169 169 PRO CB C 159 32.300 32.300 31.983 0.317 18547 5900 1 6 . 1 1 170 170 SER N N 160 118.600 118.600 114.824 3.776 18547 5901 1 6 . 1 1 170 170 SER HA H 160 4.780 4.780 4.687 0.093 18547 5902 1 6 . 1 1 170 170 SER CA C 160 56.200 56.200 55.991 0.209 18547 5903 1 6 . 1 1 170 170 SER CB C 160 63.200 63.200 64.624 -1.424 18547 5904 1 6 . 1 1 170 170 SER H H 160 8.290 8.290 7.508 0.782 18547 5905 1 6 . 1 1 171 171 PRO HA H 161 4.350 4.350 4.254 0.096 18547 5906 1 6 . 1 1 171 171 PRO C C 161 179.400 179.400 178.643 0.757 18547 5907 1 6 . 1 1 171 171 PRO CA C 161 65.500 65.500 65.249 0.251 18547 5908 1 6 . 1 1 171 171 PRO CB C 161 31.700 31.700 31.846 -0.145 18547 5909 1 6 . 1 1 172 172 GLU N N 162 118.300 118.300 118.526 -0.226 18547 5910 1 6 . 1 1 172 172 GLU HA H 162 4.160 4.160 4.144 0.016 18547 5911 1 6 . 1 1 172 172 GLU C C 162 178.300 178.300 178.956 -0.656 18547 5912 1 6 . 1 1 172 172 GLU CA C 162 59.300 59.300 59.570 -0.270 18547 5913 1 6 . 1 1 172 172 GLU CB C 162 29.400 29.400 28.715 0.685 18547 5914 1 6 . 1 1 172 172 GLU H H 162 8.540 8.540 8.741 -0.201 18547 5915 1 6 . 1 1 173 173 MET N N 163 119.400 119.400 119.503 -0.103 18547 5916 1 6 . 1 1 173 173 MET HA H 163 4.260 4.260 4.226 0.034 18547 5917 1 6 . 1 1 173 173 MET C C 163 179.200 179.200 177.925 1.275 18547 5918 1 6 . 1 1 173 173 MET CA C 163 58.200 58.200 58.160 0.040 18547 5919 1 6 . 1 1 173 173 MET CB C 163 32.500 32.500 32.209 0.291 18547 5920 1 6 . 1 1 173 173 MET H H 163 7.830 7.830 7.760 0.070 18547 5921 1 6 . 1 1 174 174 MET N N 164 119.300 119.300 117.927 1.373 18547 5922 1 6 . 1 1 174 174 MET HA H 164 4.260 4.260 4.002 0.258 18547 5923 1 6 . 1 1 174 174 MET C C 164 178.600 178.600 178.194 0.406 18547 5924 1 6 . 1 1 174 174 MET CA C 164 58.200 58.200 59.299 -1.099 18547 5925 1 6 . 1 1 174 174 MET CB C 164 31.900 31.900 32.173 -0.273 18547 5926 1 6 . 1 1 174 174 MET H H 164 8.320 8.320 7.783 0.537 18547 5927 1 6 . 1 1 175 175 ARG N N 165 121.200 121.200 120.912 0.288 18547 5928 1 6 . 1 1 175 175 ARG HA H 165 4.160 4.160 4.105 0.055 18547 5929 1 6 . 1 1 175 175 ARG C C 165 178.800 178.800 178.861 -0.061 18547 5930 1 6 . 1 1 175 175 ARG CA C 165 59.400 59.400 59.539 -0.139 18547 5931 1 6 . 1 1 175 175 ARG CB C 165 29.900 29.900 30.120 -0.220 18547 5932 1 6 . 1 1 175 175 ARG H H 165 8.020 8.020 7.845 0.175 18547 5933 1 6 . 1 1 176 176 ILE N N 166 120.500 120.500 119.523 0.977 18547 5934 1 6 . 1 1 176 176 ILE HA H 166 3.920 3.920 3.772 0.148 18547 5935 1 6 . 1 1 176 176 ILE C C 166 178.500 178.500 177.567 0.933 18547 5936 1 6 . 1 1 176 176 ILE CA C 166 64.500 64.500 64.921 -0.422 18547 5937 1 6 . 1 1 176 176 ILE CB C 166 37.900 37.900 37.669 0.231 18547 5938 1 6 . 1 1 176 176 ILE H H 166 8.110 8.110 7.995 0.115 18547 5939 1 6 . 1 1 177 177 SER N N 167 116.300 116.300 115.105 1.195 18547 5940 1 6 . 1 1 177 177 SER HA H 167 4.240 4.240 4.135 0.105 18547 5941 1 6 . 1 1 177 177 SER C C 167 177.300 177.300 176.690 0.610 18547 5942 1 6 . 1 1 177 177 SER CA C 167 62.500 62.500 61.974 0.526 18547 5943 1 6 . 1 1 177 177 SER CB C 167 62.800 62.800 63.080 -0.280 18547 5944 1 6 . 1 1 177 177 SER H H 167 8.290 8.290 8.238 0.052 18547 5945 1 6 . 1 1 178 178 GLN N N 168 123.300 123.300 118.930 4.370 18547 5946 1 6 . 1 1 178 178 GLN HA H 168 4.110 4.110 4.290 -0.180 18547 5947 1 6 . 1 1 178 178 GLN C C 168 178.600 178.600 177.873 0.727 18547 5948 1 6 . 1 1 178 178 GLN CA C 168 59.200 59.200 57.987 1.213 18547 5949 1 6 . 1 1 178 178 GLN CB C 168 28.000 28.000 28.480 -0.480 18547 5950 1 6 . 1 1 178 178 GLN H H 168 8.080 8.080 7.818 0.262 18547 5951 1 6 . 1 1 179 179 GLU N N 169 121.200 121.200 122.880 -1.680 18547 5952 1 6 . 1 1 179 179 GLU HA H 169 4.090 4.090 4.012 0.078 18547 5953 1 6 . 1 1 179 179 GLU C C 169 180.500 180.500 178.927 1.573 18547 5954 1 6 . 1 1 179 179 GLU CA C 169 59.500 59.500 59.644 -0.144 18547 5955 1 6 . 1 1 179 179 GLU CB C 169 29.700 29.700 29.522 0.178 18547 5956 1 6 . 1 1 179 179 GLU H H 169 8.380 8.380 8.044 0.336 18547 5957 1 6 . 1 1 180 180 ARG N N 170 120.800 120.800 117.070 3.730 18547 5958 1 6 . 1 1 180 180 ARG HA H 170 4.010 4.010 4.235 -0.225 18547 5959 1 6 . 1 1 180 180 ARG C C 170 178.100 178.100 178.928 -0.828 18547 5960 1 6 . 1 1 180 180 ARG CA C 170 59.900 59.900 57.643 2.257 18547 5961 1 6 . 1 1 180 180 ARG CB C 170 30.600 30.600 29.669 0.931 18547 5962 1 6 . 1 1 180 180 ARG H H 170 8.670 8.670 8.380 0.290 18547 5963 1 6 . 1 1 181 181 GLY N N 171 108.200 108.200 108.645 -0.445 18547 5964 1 6 . 1 1 181 181 GLY C C 171 176.600 176.600 176.217 0.383 18547 5965 1 6 . 1 1 181 181 GLY CA C 171 47.800 47.800 47.088 0.712 18547 5966 1 6 . 1 1 181 181 GLY H H 171 8.550 8.550 8.115 0.435 18547 5967 1 6 . 1 1 182 182 GLU N N 172 121.900 121.900 121.941 -0.041 18547 5968 1 6 . 1 1 182 182 GLU HA H 172 4.110 4.110 3.985 0.125 18547 5969 1 6 . 1 1 182 182 GLU C C 172 179.300 179.300 178.993 0.307 18547 5970 1 6 . 1 1 182 182 GLU CA C 172 59.300 59.300 58.650 0.650 18547 5971 1 6 . 1 1 182 182 GLU CB C 172 29.300 29.300 29.583 -0.283 18547 5972 1 6 . 1 1 182 182 GLU H H 172 8.190 8.190 8.160 0.030 18547 5973 1 6 . 1 1 183 183 ALA N N 173 123.500 123.500 123.094 0.406 18547 5974 1 6 . 1 1 183 183 ALA HA H 173 4.150 4.150 3.968 0.182 18547 5975 1 6 . 1 1 183 183 ALA C C 173 181.500 181.500 179.288 2.212 18547 5976 1 6 . 1 1 183 183 ALA CA C 173 55.000 55.000 54.877 0.123 18547 5977 1 6 . 1 1 183 183 ALA CB C 173 17.100 17.100 18.006 -0.906 18547 5978 1 6 . 1 1 183 183 ALA H H 173 7.800 7.800 7.791 0.009 18547 5979 1 6 . 1 1 184 184 TRP N N 174 118.100 118.100 118.725 -0.625 18547 5980 1 6 . 1 1 184 184 TRP HA H 174 4.540 4.540 4.353 0.187 18547 5981 1 6 . 1 1 184 184 TRP C C 174 178.500 178.500 178.406 0.094 18547 5982 1 6 . 1 1 184 184 TRP CA C 174 60.600 60.600 59.797 0.803 18547 5983 1 6 . 1 1 184 184 TRP CB C 174 30.800 30.800 29.238 1.562 18547 5984 1 6 . 1 1 184 184 TRP H H 174 8.400 8.400 8.003 0.397 18547 5985 1 6 . 1 1 185 185 ALA N N 175 121.700 121.700 122.494 -0.794 18547 5986 1 6 . 1 1 185 185 ALA HA H 175 3.920 3.920 3.877 0.043 18547 5987 1 6 . 1 1 185 185 ALA C C 175 179.600 179.600 178.524 1.076 18547 5988 1 6 . 1 1 185 185 ALA CA C 175 55.600 55.600 54.605 0.995 18547 5989 1 6 . 1 1 185 185 ALA CB C 175 17.900 17.900 17.763 0.137 18547 5990 1 6 . 1 1 185 185 ALA H H 175 8.800 8.800 8.180 0.620 18547 5991 1 6 . 1 1 186 186 ALA N N 176 119.000 119.000 121.308 -2.308 18547 5992 1 6 . 1 1 186 186 ALA HA H 176 4.190 4.190 3.988 0.202 18547 5993 1 6 . 1 1 186 186 ALA C C 176 180.300 180.300 179.235 1.065 18547 5994 1 6 . 1 1 186 186 ALA CA C 176 54.800 54.800 54.637 0.163 18547 5995 1 6 . 1 1 186 186 ALA CB C 176 17.900 17.900 18.487 -0.587 18547 5996 1 6 . 1 1 186 186 ALA H H 176 7.860 7.860 7.637 0.223 18547 5997 1 6 . 1 1 187 187 LEU N N 177 118.500 118.500 118.584 -0.084 18547 5998 1 6 . 1 1 187 187 LEU HA H 177 4.210 4.210 3.946 0.264 18547 5999 1 6 . 1 1 187 187 LEU C C 177 179.400 179.400 179.025 0.375 18547 6000 1 6 . 1 1 187 187 LEU CA C 177 57.600 57.600 57.597 0.003 18547 6001 1 6 . 1 1 187 187 LEU CB C 177 42.700 42.700 41.874 0.826 18547 6002 1 6 . 1 1 187 187 LEU H H 177 7.460 7.460 7.640 -0.180 18547 6003 1 6 . 1 1 188 188 VAL N N 178 118.500 118.500 117.989 0.511 18547 6004 1 6 . 1 1 188 188 VAL HA H 178 3.660 3.660 3.795 -0.135 18547 6005 1 6 . 1 1 188 188 VAL C C 178 177.600 177.600 177.047 0.553 18547 6006 1 6 . 1 1 188 188 VAL CA C 178 66.000 66.000 64.856 1.144 18547 6007 1 6 . 1 1 188 188 VAL CB C 178 32.400 32.400 31.841 0.559 18547 6008 1 6 . 1 1 188 188 VAL H H 178 8.640 8.640 7.943 0.697 18547 6009 1 6 . 1 1 189 189 HIS N N 179 116.000 116.000 116.474 -0.474 18547 6010 1 6 . 1 1 189 189 HIS HA H 179 4.780 4.780 4.454 0.326 18547 6011 1 6 . 1 1 189 189 HIS C C 179 175.300 175.300 176.943 -1.643 18547 6012 1 6 . 1 1 189 189 HIS CA C 179 56.200 56.200 57.240 -1.040 18547 6013 1 6 . 1 1 189 189 HIS CB C 179 28.500 28.500 30.057 -1.557 18547 6014 1 6 . 1 1 189 189 HIS H H 179 8.150 8.150 7.507 0.643 18547 6015 1 6 . 1 1 190 190 SER N N 180 115.000 115.000 113.854 1.146 18547 6016 1 6 . 1 1 190 190 SER HA H 180 4.480 4.480 4.419 0.061 18547 6017 1 6 . 1 1 190 190 SER C C 180 175.100 175.100 175.738 -0.638 18547 6018 1 6 . 1 1 190 190 SER CA C 180 59.500 59.500 59.947 -0.447 18547 6019 1 6 . 1 1 190 190 SER CB C 180 64.000 64.000 63.134 0.866 18547 6020 1 6 . 1 1 190 190 SER H H 180 7.820 7.820 7.463 0.357 18547 6021 1 6 . 1 1 191 191 GLY N N 181 111.100 111.100 109.158 1.942 18547 6022 1 6 . 1 1 191 191 GLY C C 181 173.400 173.400 173.992 -0.592 18547 6023 1 6 . 1 1 191 191 GLY CA C 181 45.500 45.500 45.091 0.409 18547 6024 1 6 . 1 1 191 191 GLY H H 181 8.330 8.330 7.713 0.617 18547 6025 1 7 . 1 1 12 12 ALA N N 2 125.600 125.600 123.646 1.954 18547 6026 1 7 . 1 1 12 12 ALA HA H 2 4.300 4.300 3.960 0.340 18547 6027 1 7 . 1 1 12 12 ALA C C 2 177.600 177.600 175.773 1.827 18547 6028 1 7 . 1 1 12 12 ALA CA C 2 52.600 52.600 52.671 -0.071 18547 6029 1 7 . 1 1 12 12 ALA CB C 2 19.200 19.200 16.962 2.238 18547 6030 1 7 . 1 1 12 12 ALA H H 2 8.380 8.380 8.697 -0.317 18547 6031 1 7 . 1 1 13 13 SER N N 3 115.000 115.000 115.841 -0.841 18547 6032 1 7 . 1 1 13 13 SER HA H 3 4.390 4.390 4.641 -0.251 18547 6033 1 7 . 1 1 13 13 SER C C 3 175.100 175.100 174.254 0.846 18547 6034 1 7 . 1 1 13 13 SER CA C 3 58.500 58.500 57.640 0.860 18547 6035 1 7 . 1 1 13 13 SER CB C 3 63.800 63.800 65.945 -2.145 18547 6036 1 7 . 1 1 13 13 SER H H 3 8.250 8.250 7.975 0.275 18547 6037 1 7 . 1 1 14 14 GLY N N 4 110.700 110.700 110.437 0.263 18547 6038 1 7 . 1 1 14 14 GLY C C 4 174.000 174.000 173.685 0.315 18547 6039 1 7 . 1 1 14 14 GLY CA C 4 45.400 45.400 46.088 -0.688 18547 6040 1 7 . 1 1 14 14 GLY H H 4 8.390 8.390 8.538 -0.148 18547 6041 1 7 . 1 1 15 15 GLN N N 5 120.100 120.100 120.049 0.051 18547 6042 1 7 . 1 1 15 15 GLN HA H 5 4.310 4.310 4.284 0.026 18547 6043 1 7 . 1 1 15 15 GLN C C 5 175.500 175.500 175.034 0.466 18547 6044 1 7 . 1 1 15 15 GLN CA C 5 55.600 55.600 55.679 -0.079 18547 6045 1 7 . 1 1 15 15 GLN CB C 5 29.700 29.700 27.994 1.706 18547 6046 1 7 . 1 1 15 15 GLN H H 5 8.190 8.190 8.167 0.023 18547 6047 1 7 . 1 1 16 16 ALA N N 6 126.000 126.000 124.829 1.171 18547 6048 1 7 . 1 1 16 16 ALA HA H 6 4.360 4.360 4.657 -0.297 18547 6049 1 7 . 1 1 16 16 ALA C C 6 177.300 177.300 175.466 1.834 18547 6050 1 7 . 1 1 16 16 ALA CA C 6 52.300 52.300 50.964 1.336 18547 6051 1 7 . 1 1 16 16 ALA CB C 6 19.200 19.200 18.128 1.072 18547 6052 1 7 . 1 1 16 16 ALA H H 6 8.400 8.400 7.967 0.433 18547 6053 1 7 . 1 1 17 17 THR N N 7 119.200 119.200 118.148 1.052 18547 6054 1 7 . 1 1 17 17 THR HA H 7 4.370 4.370 5.101 -0.731 18547 6055 1 7 . 1 1 17 17 THR C C 7 173.600 173.600 173.880 -0.280 18547 6056 1 7 . 1 1 17 17 THR CA C 7 63.200 63.200 61.431 1.769 18547 6057 1 7 . 1 1 17 17 THR CB C 7 70.600 70.600 69.914 0.686 18547 6058 1 7 . 1 1 17 17 THR H H 7 8.180 8.180 7.957 0.223 18547 6059 1 7 . 1 1 18 18 GLU N N 8 127.500 127.500 127.584 -0.084 18547 6060 1 7 . 1 1 18 18 GLU HA H 8 4.540 4.540 4.640 -0.100 18547 6061 1 7 . 1 1 18 18 GLU C C 8 174.200 174.200 175.415 -1.215 18547 6062 1 7 . 1 1 18 18 GLU CA C 8 55.100 55.100 55.252 -0.152 18547 6063 1 7 . 1 1 18 18 GLU CB C 8 31.900 31.900 31.930 -0.030 18547 6064 1 7 . 1 1 18 18 GLU H H 8 8.810 8.810 8.413 0.397 18547 6065 1 7 . 1 1 19 19 ARG N N 9 122.100 122.100 123.229 -1.129 18547 6066 1 7 . 1 1 19 19 ARG HA H 9 5.060 5.060 5.524 -0.464 18547 6067 1 7 . 1 1 19 19 ARG C C 9 175.000 175.000 175.272 -0.272 18547 6068 1 7 . 1 1 19 19 ARG CA C 9 54.800 54.800 54.947 -0.147 18547 6069 1 7 . 1 1 19 19 ARG CB C 9 31.600 31.600 32.129 -0.529 18547 6070 1 7 . 1 1 19 19 ARG H H 9 8.070 8.070 8.596 -0.526 18547 6071 1 7 . 1 1 20 20 ALA N N 10 126.300 126.300 123.578 2.722 18547 6072 1 7 . 1 1 20 20 ALA HA H 10 4.640 4.640 4.679 -0.039 18547 6073 1 7 . 1 1 20 20 ALA C C 10 173.800 173.800 175.024 -1.224 18547 6074 1 7 . 1 1 20 20 ALA CA C 10 51.100 51.100 51.837 -0.737 18547 6075 1 7 . 1 1 20 20 ALA CB C 10 22.800 22.800 20.978 1.822 18547 6076 1 7 . 1 1 20 20 ALA H H 10 9.390 9.390 8.591 0.799 18547 6077 1 7 . 1 1 21 21 LEU N N 11 117.500 117.500 118.749 -1.249 18547 6078 1 7 . 1 1 21 21 LEU HA H 11 5.790 5.790 5.599 0.191 18547 6079 1 7 . 1 1 21 21 LEU C C 11 178.100 178.100 176.441 1.659 18547 6080 1 7 . 1 1 21 21 LEU CA C 11 53.100 53.100 53.428 -0.329 18547 6081 1 7 . 1 1 21 21 LEU CB C 11 45.400 45.400 47.085 -1.685 18547 6082 1 7 . 1 1 21 21 LEU H H 11 8.280 8.280 8.347 -0.067 18547 6083 1 7 . 1 1 22 22 GLY N N 12 113.400 113.400 107.545 5.855 18547 6084 1 7 . 1 1 22 22 GLY C C 12 174.800 174.800 172.400 2.400 18547 6085 1 7 . 1 1 22 22 GLY CA C 12 44.500 44.500 45.272 -0.772 18547 6086 1 7 . 1 1 22 22 GLY H H 12 8.830 8.830 8.740 0.090 18547 6087 1 7 . 1 1 23 23 ARG N N 13 119.600 119.600 119.328 0.272 18547 6088 1 7 . 1 1 23 23 ARG HA H 13 5.040 5.040 5.100 -0.060 18547 6089 1 7 . 1 1 23 23 ARG C C 13 174.900 174.900 174.472 0.428 18547 6090 1 7 . 1 1 23 23 ARG CA C 13 55.800 55.800 54.549 1.251 18547 6091 1 7 . 1 1 23 23 ARG CB C 13 33.600 33.600 32.268 1.332 18547 6092 1 7 . 1 1 23 23 ARG H H 13 8.160 8.160 8.219 -0.059 18547 6093 1 7 . 1 1 24 24 ARG N N 14 121.900 121.900 120.776 1.124 18547 6094 1 7 . 1 1 24 24 ARG HA H 14 4.530 4.530 4.615 -0.085 18547 6095 1 7 . 1 1 24 24 ARG C C 14 174.000 174.000 174.143 -0.143 18547 6096 1 7 . 1 1 24 24 ARG CA C 14 55.200 55.200 55.356 -0.156 18547 6097 1 7 . 1 1 24 24 ARG CB C 14 34.700 34.700 33.036 1.664 18547 6098 1 7 . 1 1 24 24 ARG H H 14 8.780 8.780 8.910 -0.130 18547 6099 1 7 . 1 1 25 25 THR N N 15 121.700 121.700 117.782 3.918 18547 6100 1 7 . 1 1 25 25 THR HA H 15 4.420 4.420 4.783 -0.363 18547 6101 1 7 . 1 1 25 25 THR C C 15 173.700 173.700 174.938 -1.238 18547 6102 1 7 . 1 1 25 25 THR CA C 15 63.600 63.600 62.065 1.535 18547 6103 1 7 . 1 1 25 25 THR CB C 15 68.600 68.600 69.132 -0.532 18547 6104 1 7 . 1 1 25 25 THR H H 15 8.800 8.800 8.411 0.389 18547 6105 1 7 . 1 1 26 26 ILE N N 16 124.200 124.200 123.672 0.528 18547 6106 1 7 . 1 1 26 26 ILE HA H 16 4.940 4.940 4.828 0.112 18547 6107 1 7 . 1 1 26 26 ILE CA C 16 59.300 59.300 58.051 1.249 18547 6108 1 7 . 1 1 26 26 ILE CB C 16 38.200 38.200 37.397 0.803 18547 6109 1 7 . 1 1 26 26 ILE H H 16 8.420 8.420 8.468 -0.048 18547 6110 1 7 . 1 1 27 27 PRO HA H 17 4.180 4.180 4.180 0.000 18547 6111 1 7 . 1 1 27 27 PRO C C 17 178.100 178.100 176.865 1.235 18547 6112 1 7 . 1 1 27 27 PRO CA C 17 67.200 67.200 65.342 1.858 18547 6113 1 7 . 1 1 27 27 PRO CB C 17 30.700 30.700 31.381 -0.681 18547 6114 1 7 . 1 1 28 28 ALA N N 18 114.800 114.800 117.745 -2.945 18547 6115 1 7 . 1 1 28 28 ALA HA H 18 4.270 4.270 4.338 -0.068 18547 6116 1 7 . 1 1 28 28 ALA C C 18 177.000 177.000 177.173 -0.173 18547 6117 1 7 . 1 1 28 28 ALA CA C 18 53.100 53.100 52.090 1.010 18547 6118 1 7 . 1 1 28 28 ALA CB C 18 19.500 19.500 19.659 -0.159 18547 6119 1 7 . 1 1 28 28 ALA H H 18 8.060 8.060 8.202 -0.142 18547 6120 1 7 . 1 1 29 29 GLY N N 19 107.100 107.100 106.819 0.281 18547 6121 1 7 . 1 1 29 29 GLY C C 19 171.900 171.900 172.153 -0.253 18547 6122 1 7 . 1 1 29 29 GLY CA C 19 44.000 44.000 44.289 -0.289 18547 6123 1 7 . 1 1 29 29 GLY H H 19 8.140 8.140 7.594 0.546 18547 6124 1 7 . 1 1 30 30 GLU N N 20 120.000 120.000 120.207 -0.207 18547 6125 1 7 . 1 1 30 30 GLU HA H 20 4.320 4.320 4.306 0.014 18547 6126 1 7 . 1 1 30 30 GLU C C 20 175.600 175.600 175.790 -0.190 18547 6127 1 7 . 1 1 30 30 GLU CA C 20 57.300 57.300 57.170 0.130 18547 6128 1 7 . 1 1 30 30 GLU CB C 20 29.100 29.100 29.445 -0.345 18547 6129 1 7 . 1 1 30 30 GLU H H 20 8.380 8.380 8.511 -0.131 18547 6130 1 7 . 1 1 31 31 ALA N N 21 129.500 129.500 129.080 0.420 18547 6131 1 7 . 1 1 31 31 ALA HA H 21 4.610 4.610 4.631 -0.021 18547 6132 1 7 . 1 1 31 31 ALA C C 21 177.200 177.200 176.263 0.937 18547 6133 1 7 . 1 1 31 31 ALA CA C 21 51.200 51.200 50.974 0.227 18547 6134 1 7 . 1 1 31 31 ALA CB C 21 22.500 22.500 21.286 1.214 18547 6135 1 7 . 1 1 31 31 ALA H H 21 8.660 8.660 8.747 -0.087 18547 6136 1 7 . 1 1 32 32 ARG N N 22 120.400 120.400 120.546 -0.146 18547 6137 1 7 . 1 1 32 32 ARG HA H 22 4.950 4.950 4.708 0.242 18547 6138 1 7 . 1 1 32 32 ARG C C 22 173.400 173.400 175.922 -2.522 18547 6139 1 7 . 1 1 32 32 ARG CA C 22 55.500 55.500 53.174 2.326 18547 6140 1 7 . 1 1 32 32 ARG CB C 22 32.500 32.500 32.003 0.497 18547 6141 1 7 . 1 1 32 32 ARG H H 22 8.090 8.090 8.087 0.003 18547 6142 1 7 . 1 1 33 33 SER N N 23 113.800 113.800 114.099 -0.299 18547 6143 1 7 . 1 1 33 33 SER HA H 23 5.560 5.560 5.335 0.225 18547 6144 1 7 . 1 1 33 33 SER C C 23 174.500 174.500 174.211 0.289 18547 6145 1 7 . 1 1 33 33 SER CA C 23 55.600 55.600 56.822 -1.222 18547 6146 1 7 . 1 1 33 33 SER CB C 23 67.300 67.300 65.604 1.696 18547 6147 1 7 . 1 1 33 33 SER H H 23 8.080 8.080 8.236 -0.156 18547 6148 1 7 . 1 1 34 34 ILE N N 24 112.700 112.700 119.450 -6.750 18547 6149 1 7 . 1 1 34 34 ILE HA H 24 4.950 4.950 4.825 0.125 18547 6150 1 7 . 1 1 34 34 ILE C C 24 175.400 175.400 174.610 0.790 18547 6151 1 7 . 1 1 34 34 ILE CA C 24 58.300 58.300 60.367 -2.067 18547 6152 1 7 . 1 1 34 34 ILE CB C 24 39.900 39.900 38.790 1.110 18547 6153 1 7 . 1 1 34 34 ILE H H 24 7.980 7.980 8.570 -0.590 18547 6154 1 7 . 1 1 35 35 ILE N N 25 121.800 121.800 127.160 -5.360 18547 6155 1 7 . 1 1 35 35 ILE HA H 25 4.960 4.960 4.568 0.392 18547 6156 1 7 . 1 1 35 35 ILE C C 25 174.800 174.800 174.749 0.051 18547 6157 1 7 . 1 1 35 35 ILE CA C 25 60.700 60.700 60.078 0.622 18547 6158 1 7 . 1 1 35 35 ILE CB C 25 41.300 41.300 40.681 0.619 18547 6159 1 7 . 1 1 35 35 ILE H H 25 8.960 8.960 8.231 0.729 18547 6160 1 7 . 1 1 36 36 ILE N N 26 127.900 127.900 127.900 0.000 18547 6161 1 7 . 1 1 36 36 ILE HA H 26 4.770 4.770 4.758 0.012 18547 6162 1 7 . 1 1 36 36 ILE C C 26 175.000 175.000 174.911 0.089 18547 6163 1 7 . 1 1 36 36 ILE CA C 26 59.900 59.900 60.182 -0.282 18547 6164 1 7 . 1 1 36 36 ILE CB C 26 42.100 42.100 39.089 3.011 18547 6165 1 7 . 1 1 36 36 ILE H H 26 9.210 9.210 8.772 0.438 18547 6166 1 7 . 1 1 37 37 ARG N N 27 124.100 124.100 127.577 -3.477 18547 6167 1 7 . 1 1 37 37 ARG HA H 27 5.850 5.850 5.400 0.450 18547 6168 1 7 . 1 1 37 37 ARG C C 27 176.200 176.200 175.066 1.134 18547 6169 1 7 . 1 1 37 37 ARG CA C 27 54.100 54.100 54.863 -0.763 18547 6170 1 7 . 1 1 37 37 ARG CB C 27 32.900 32.900 32.487 0.413 18547 6171 1 7 . 1 1 37 37 ARG H H 27 8.670 8.670 8.890 -0.220 18547 6172 1 7 . 1 1 38 38 GLN N N 28 122.900 122.900 121.867 1.033 18547 6173 1 7 . 1 1 38 38 GLN HA H 28 4.710 4.710 5.393 -0.683 18547 6174 1 7 . 1 1 38 38 GLN C C 28 173.200 173.200 173.988 -0.788 18547 6175 1 7 . 1 1 38 38 GLN CA C 28 54.400 54.400 54.628 -0.228 18547 6176 1 7 . 1 1 38 38 GLN CB C 28 35.200 35.200 33.650 1.550 18547 6177 1 7 . 1 1 38 38 GLN H H 28 9.310 9.310 8.651 0.659 18547 6178 1 7 . 1 1 39 39 ARG N N 29 121.400 121.400 125.258 -3.858 18547 6179 1 7 . 1 1 39 39 ARG HA H 29 5.260 5.260 5.015 0.245 18547 6180 1 7 . 1 1 39 39 ARG C C 29 175.400 175.400 175.633 -0.233 18547 6181 1 7 . 1 1 39 39 ARG CA C 29 55.100 55.100 54.587 0.512 18547 6182 1 7 . 1 1 39 39 ARG CB C 29 32.500 32.500 31.413 1.087 18547 6183 1 7 . 1 1 39 39 ARG H H 29 8.510 8.510 7.994 0.516 18547 6184 1 7 . 1 1 40 40 TYR N N 30 120.000 120.000 124.626 -4.626 18547 6185 1 7 . 1 1 40 40 TYR HA H 30 4.600 4.600 4.603 -0.003 18547 6186 1 7 . 1 1 40 40 TYR C C 30 175.600 175.600 175.646 -0.046 18547 6187 1 7 . 1 1 40 40 TYR CA C 30 56.900 56.900 56.659 0.241 18547 6188 1 7 . 1 1 40 40 TYR CB C 30 42.700 42.700 40.776 1.925 18547 6189 1 7 . 1 1 40 40 TYR H H 30 9.140 9.140 8.957 0.183 18547 6190 1 7 . 1 1 41 41 ASP N N 31 126.400 126.400 124.648 1.752 18547 6191 1 7 . 1 1 41 41 ASP HA H 31 4.880 4.880 4.500 0.380 18547 6192 1 7 . 1 1 41 41 ASP C C 31 174.500 174.500 174.534 -0.034 18547 6193 1 7 . 1 1 41 41 ASP CA C 31 53.200 53.200 53.596 -0.396 18547 6194 1 7 . 1 1 41 41 ASP CB C 31 39.200 39.200 38.656 0.545 18547 6195 1 7 . 1 1 41 41 ASP H H 31 9.140 9.140 8.902 0.238 18547 6196 1 7 . 1 1 42 42 ALA N N 32 123.100 123.100 122.486 0.614 18547 6197 1 7 . 1 1 42 42 ALA HA H 32 4.690 4.690 4.776 -0.086 18547 6198 1 7 . 1 1 42 42 ALA CA C 32 50.100 50.100 49.857 0.243 18547 6199 1 7 . 1 1 42 42 ALA CB C 32 20.200 20.200 20.164 0.036 18547 6200 1 7 . 1 1 42 42 ALA H H 32 7.770 7.770 7.741 0.029 18547 6201 1 7 . 1 1 43 43 PRO HA H 33 4.650 4.650 4.474 0.176 18547 6202 1 7 . 1 1 43 43 PRO C C 33 178.100 178.100 177.306 0.794 18547 6203 1 7 . 1 1 43 43 PRO CA C 33 62.000 62.000 63.158 -1.158 18547 6204 1 7 . 1 1 43 43 PRO CB C 33 33.000 33.000 32.332 0.668 18547 6205 1 7 . 1 1 44 44 VAL N N 34 123.500 123.500 121.875 1.625 18547 6206 1 7 . 1 1 44 44 VAL HA H 34 3.960 3.960 3.780 0.180 18547 6207 1 7 . 1 1 44 44 VAL C C 34 177.500 177.500 178.171 -0.671 18547 6208 1 7 . 1 1 44 44 VAL CA C 34 66.000 66.000 66.413 -0.413 18547 6209 1 7 . 1 1 44 44 VAL CB C 34 32.000 32.000 31.861 0.139 18547 6210 1 7 . 1 1 44 44 VAL H H 34 8.570 8.570 8.541 0.029 18547 6211 1 7 . 1 1 45 45 ASP N N 35 116.200 116.200 120.031 -3.831 18547 6212 1 7 . 1 1 45 45 ASP HA H 35 4.290 4.290 4.275 0.015 18547 6213 1 7 . 1 1 45 45 ASP C C 35 178.800 178.800 177.848 0.952 18547 6214 1 7 . 1 1 45 45 ASP CA C 35 57.500 57.500 57.546 -0.046 18547 6215 1 7 . 1 1 45 45 ASP CB C 35 40.400 40.400 40.779 -0.379 18547 6216 1 7 . 1 1 45 45 ASP H H 35 8.520 8.520 8.448 0.072 18547 6217 1 7 . 1 1 46 46 GLU N N 36 120.100 120.100 120.060 0.040 18547 6218 1 7 . 1 1 46 46 GLU HA H 36 4.260 4.260 4.080 0.180 18547 6219 1 7 . 1 1 46 46 GLU C C 36 179.000 179.000 179.199 -0.199 18547 6220 1 7 . 1 1 46 46 GLU CA C 36 58.400 58.400 59.316 -0.916 18547 6221 1 7 . 1 1 46 46 GLU CB C 36 29.700 29.700 29.189 0.511 18547 6222 1 7 . 1 1 46 46 GLU H H 36 7.360 7.360 8.250 -0.890 18547 6223 1 7 . 1 1 47 47 VAL N N 37 121.800 121.800 119.766 2.034 18547 6224 1 7 . 1 1 47 47 VAL HA H 37 3.370 3.370 3.468 -0.098 18547 6225 1 7 . 1 1 47 47 VAL C C 37 177.100 177.100 177.836 -0.736 18547 6226 1 7 . 1 1 47 47 VAL CA C 37 66.900 66.900 66.150 0.750 18547 6227 1 7 . 1 1 47 47 VAL CB C 37 31.000 31.000 31.246 -0.246 18547 6228 1 7 . 1 1 47 47 VAL H H 37 7.680 7.680 7.857 -0.177 18547 6229 1 7 . 1 1 48 48 TRP N N 38 119.800 119.800 120.873 -1.073 18547 6230 1 7 . 1 1 48 48 TRP HA H 38 3.990 3.990 4.213 -0.223 18547 6231 1 7 . 1 1 48 48 TRP C C 38 180.700 180.700 178.816 1.884 18547 6232 1 7 . 1 1 48 48 TRP CA C 38 60.900 60.900 60.793 0.107 18547 6233 1 7 . 1 1 48 48 TRP CB C 38 29.300 29.300 29.525 -0.225 18547 6234 1 7 . 1 1 48 48 TRP H H 38 9.160 9.160 8.268 0.892 18547 6235 1 7 . 1 1 49 49 SER N N 39 116.100 116.100 116.551 -0.451 18547 6236 1 7 . 1 1 49 49 SER HA H 39 4.010 4.010 4.140 -0.130 18547 6237 1 7 . 1 1 49 49 SER C C 39 175.700 175.700 176.861 -1.161 18547 6238 1 7 . 1 1 49 49 SER CA C 39 62.700 62.700 62.008 0.692 18547 6239 1 7 . 1 1 49 49 SER CB C 39 62.700 62.700 63.137 -0.437 18547 6240 1 7 . 1 1 49 49 SER H H 39 8.230 8.230 8.223 0.007 18547 6241 1 7 . 1 1 50 50 ALA N N 40 122.300 122.300 123.591 -1.291 18547 6242 1 7 . 1 1 50 50 ALA HA H 40 4.020 4.020 4.327 -0.307 18547 6243 1 7 . 1 1 50 50 ALA C C 40 176.700 176.700 178.994 -2.294 18547 6244 1 7 . 1 1 50 50 ALA CA C 40 55.200 55.200 55.444 -0.244 18547 6245 1 7 . 1 1 50 50 ALA CB C 40 18.800 18.800 18.590 0.210 18547 6246 1 7 . 1 1 50 50 ALA H H 40 7.770 7.770 8.529 -0.759 18547 6247 1 7 . 1 1 51 51 CYS N N 41 109.400 109.400 112.999 -3.599 18547 6248 1 7 . 1 1 51 51 CYS HA H 41 4.510 4.510 4.861 -0.351 18547 6249 1 7 . 1 1 51 51 CYS C C 41 172.200 172.200 175.072 -2.872 18547 6250 1 7 . 1 1 51 51 CYS CA C 41 61.100 61.100 59.720 1.380 18547 6251 1 7 . 1 1 51 51 CYS CB C 41 29.800 29.800 27.318 2.482 18547 6252 1 7 . 1 1 51 51 CYS H H 41 7.080 7.080 7.792 -0.712 18547 6253 1 7 . 1 1 52 52 THR N N 42 100.100 100.100 114.089 -13.989 18547 6254 1 7 . 1 1 52 52 THR HA H 42 4.240 4.240 4.234 0.006 18547 6255 1 7 . 1 1 52 52 THR C C 42 173.500 173.500 174.670 -1.170 18547 6256 1 7 . 1 1 52 52 THR CA C 42 62.200 62.200 62.240 -0.040 18547 6257 1 7 . 1 1 52 52 THR CB C 42 71.800 71.800 70.009 1.791 18547 6258 1 7 . 1 1 52 52 THR H H 42 6.800 6.800 7.573 -0.773 18547 6259 1 7 . 1 1 53 53 ASP N N 43 123.000 123.000 125.095 -2.095 18547 6260 1 7 . 1 1 53 53 ASP HA H 43 5.080 5.080 4.690 0.390 18547 6261 1 7 . 1 1 53 53 ASP CA C 43 50.600 50.600 52.608 -2.007 18547 6262 1 7 . 1 1 53 53 ASP CB C 43 42.000 42.000 42.398 -0.398 18547 6263 1 7 . 1 1 53 53 ASP H H 43 8.040 8.040 7.939 0.101 18547 6264 1 7 . 1 1 54 54 PRO HA H 44 3.960 3.960 4.104 -0.144 18547 6265 1 7 . 1 1 54 54 PRO C C 44 176.300 176.300 178.140 -1.840 18547 6266 1 7 . 1 1 54 54 PRO CA C 44 65.900 65.900 65.759 0.141 18547 6267 1 7 . 1 1 54 54 PRO CB C 44 32.700 32.700 32.142 0.557 18547 6268 1 7 . 1 1 55 55 ASN N N 45 112.700 112.700 115.223 -2.523 18547 6269 1 7 . 1 1 55 55 ASN HA H 45 4.520 4.520 4.612 -0.092 18547 6270 1 7 . 1 1 55 55 ASN C C 45 175.900 175.900 176.326 -0.426 18547 6271 1 7 . 1 1 55 55 ASN CA C 45 55.100 55.100 54.583 0.517 18547 6272 1 7 . 1 1 55 55 ASN CB C 45 38.900 38.900 38.487 0.413 18547 6273 1 7 . 1 1 55 55 ASN H H 45 8.160 8.160 8.221 -0.061 18547 6274 1 7 . 1 1 56 56 ARG N N 46 117.700 117.700 119.232 -1.532 18547 6275 1 7 . 1 1 56 56 ARG HA H 46 4.250 4.250 4.625 -0.375 18547 6276 1 7 . 1 1 56 56 ARG C C 46 177.100 177.100 178.174 -1.074 18547 6277 1 7 . 1 1 56 56 ARG CA C 46 58.400 58.400 57.261 1.139 18547 6278 1 7 . 1 1 56 56 ARG CB C 46 31.800 31.800 30.915 0.885 18547 6279 1 7 . 1 1 56 56 ARG H H 46 7.940 7.940 7.536 0.404 18547 6280 1 7 . 1 1 57 57 ILE N N 47 120.100 120.100 119.831 0.269 18547 6281 1 7 . 1 1 57 57 ILE HA H 47 3.420 3.420 3.589 -0.169 18547 6282 1 7 . 1 1 57 57 ILE C C 47 177.400 177.400 176.507 0.893 18547 6283 1 7 . 1 1 57 57 ILE CA C 47 64.400 64.400 64.303 0.097 18547 6284 1 7 . 1 1 57 57 ILE CB C 47 39.500 39.500 38.098 1.402 18547 6285 1 7 . 1 1 57 57 ILE H H 47 8.610 8.610 7.949 0.661 18547 6286 1 7 . 1 1 58 58 ASN N N 48 112.100 112.100 117.651 -5.551 18547 6287 1 7 . 1 1 58 58 ASN HA H 48 3.780 3.780 4.365 -0.585 18547 6288 1 7 . 1 1 58 58 ASN C C 48 175.300 175.300 176.323 -1.023 18547 6289 1 7 . 1 1 58 58 ASN CA C 48 54.400 54.400 55.178 -0.778 18547 6290 1 7 . 1 1 58 58 ASN CB C 48 38.200 38.200 37.783 0.417 18547 6291 1 7 . 1 1 58 58 ASN H H 48 7.440 7.440 7.941 -0.501 18547 6292 1 7 . 1 1 59 59 ARG N N 49 115.600 115.600 118.769 -3.169 18547 6293 1 7 . 1 1 59 59 ARG HA H 49 4.120 4.120 4.066 0.054 18547 6294 1 7 . 1 1 59 59 ARG C C 49 174.700 174.700 177.390 -2.690 18547 6295 1 7 . 1 1 59 59 ARG CA C 49 55.900 55.900 58.209 -2.309 18547 6296 1 7 . 1 1 59 59 ARG CB C 49 29.900 29.900 29.566 0.334 18547 6297 1 7 . 1 1 59 59 ARG H H 49 7.370 7.370 7.678 -0.308 18547 6298 1 7 . 1 1 60 60 TRP N N 50 112.500 112.500 116.179 -3.679 18547 6299 1 7 . 1 1 60 60 TRP HA H 50 4.860 4.860 4.787 0.073 18547 6300 1 7 . 1 1 60 60 TRP C C 50 173.400 173.400 175.909 -2.509 18547 6301 1 7 . 1 1 60 60 TRP CA C 50 55.800 55.800 56.591 -0.791 18547 6302 1 7 . 1 1 60 60 TRP CB C 50 31.500 31.500 30.343 1.157 18547 6303 1 7 . 1 1 60 60 TRP H H 50 6.860 6.860 7.335 -0.475 18547 6304 1 7 . 1 1 61 61 PHE N N 51 126.400 126.400 119.789 6.611 18547 6305 1 7 . 1 1 61 61 PHE HA H 51 4.690 4.690 4.630 0.060 18547 6306 1 7 . 1 1 61 61 PHE C C 51 173.000 173.000 174.806 -1.806 18547 6307 1 7 . 1 1 61 61 PHE CA C 51 55.000 55.000 56.656 -1.656 18547 6308 1 7 . 1 1 61 61 PHE CB C 51 37.600 37.600 41.089 -3.489 18547 6309 1 7 . 1 1 61 61 PHE H H 51 7.830 7.830 7.353 0.477 18547 6310 1 7 . 1 1 62 62 ILE N N 52 126.800 126.800 120.019 6.781 18547 6311 1 7 . 1 1 62 62 ILE HA H 52 3.760 3.760 3.945 -0.185 18547 6312 1 7 . 1 1 62 62 ILE C C 52 172.600 172.600 175.437 -2.837 18547 6313 1 7 . 1 1 62 62 ILE CA C 52 59.900 59.900 60.326 -0.426 18547 6314 1 7 . 1 1 62 62 ILE CB C 52 41.600 41.600 38.393 3.207 18547 6315 1 7 . 1 1 62 62 ILE H H 52 6.010 6.010 7.472 -1.462 18547 6316 1 7 . 1 1 63 63 GLU N N 53 124.400 124.400 124.411 -0.011 18547 6317 1 7 . 1 1 63 63 GLU HA H 53 3.850 3.850 4.130 -0.280 18547 6318 1 7 . 1 1 63 63 GLU CA C 53 54.800 54.800 54.410 0.390 18547 6319 1 7 . 1 1 63 63 GLU CB C 53 31.700 31.700 30.013 1.687 18547 6320 1 7 . 1 1 63 63 GLU H H 53 8.280 8.280 8.353 -0.073 18547 6321 1 7 . 1 1 64 64 PRO HA H 54 4.920 4.920 4.893 0.027 18547 6322 1 7 . 1 1 64 64 PRO C C 54 175.500 175.500 176.347 -0.847 18547 6323 1 7 . 1 1 64 64 PRO CA C 54 62.000 62.000 62.329 -0.329 18547 6324 1 7 . 1 1 64 64 PRO CB C 54 31.800 31.800 31.675 0.125 18547 6325 1 7 . 1 1 65 65 LYS N N 55 120.200 120.200 124.143 -3.943 18547 6326 1 7 . 1 1 65 65 LYS HA H 55 4.780 4.780 4.464 0.316 18547 6327 1 7 . 1 1 65 65 LYS C C 55 176.000 176.000 176.450 -0.450 18547 6328 1 7 . 1 1 65 65 LYS CA C 55 54.200 54.200 55.852 -1.652 18547 6329 1 7 . 1 1 65 65 LYS CB C 55 35.300 35.300 34.630 0.670 18547 6330 1 7 . 1 1 65 65 LYS H H 55 8.370 8.370 8.573 -0.203 18547 6331 1 7 . 1 1 66 66 GLY N N 56 109.400 109.400 109.156 0.244 18547 6332 1 7 . 1 1 66 66 GLY C C 56 171.400 171.400 173.922 -2.522 18547 6333 1 7 . 1 1 66 66 GLY CA C 56 45.400 45.400 44.898 0.502 18547 6334 1 7 . 1 1 66 66 GLY H H 56 8.640 8.640 8.017 0.623 18547 6335 1 7 . 1 1 67 67 ASP N N 57 123.800 123.800 121.817 1.983 18547 6336 1 7 . 1 1 67 67 ASP HA H 57 4.900 4.900 4.552 0.348 18547 6337 1 7 . 1 1 67 67 ASP C C 57 175.600 175.600 177.506 -1.906 18547 6338 1 7 . 1 1 67 67 ASP CA C 57 52.400 52.400 55.616 -3.216 18547 6339 1 7 . 1 1 67 67 ASP CB C 57 40.700 40.700 41.301 -0.601 18547 6340 1 7 . 1 1 67 67 ASP H H 57 7.790 7.790 8.312 -0.522 18547 6341 1 7 . 1 1 68 68 LEU N N 58 122.800 122.800 113.688 9.112 18547 6342 1 7 . 1 1 68 68 LEU HA H 58 4.270 4.270 3.930 0.340 18547 6343 1 7 . 1 1 68 68 LEU C C 58 173.700 173.700 175.270 -1.570 18547 6344 1 7 . 1 1 68 68 LEU CA C 58 54.500 54.500 55.972 -1.472 18547 6345 1 7 . 1 1 68 68 LEU CB C 58 38.300 38.300 39.980 -1.679 18547 6346 1 7 . 1 1 68 68 LEU H H 58 8.330 8.330 7.750 0.580 18547 6347 1 7 . 1 1 69 69 ARG N N 59 121.800 121.800 117.118 4.682 18547 6348 1 7 . 1 1 69 69 ARG HA H 59 4.710 4.710 4.661 0.049 18547 6349 1 7 . 1 1 69 69 ARG CA C 59 54.100 54.100 53.057 1.043 18547 6350 1 7 . 1 1 69 69 ARG CB C 59 31.800 31.800 32.093 -0.293 18547 6351 1 7 . 1 1 69 69 ARG H H 59 8.120 8.120 7.581 0.539 18547 6352 1 7 . 1 1 70 70 GLU N N 60 122.800 122.800 122.035 0.765 18547 6353 1 7 . 1 1 70 70 GLU HA H 60 3.870 3.870 3.911 -0.041 18547 6354 1 7 . 1 1 70 70 GLU C C 60 177.200 177.200 177.195 0.005 18547 6355 1 7 . 1 1 70 70 GLU CA C 60 60.000 60.000 58.539 1.461 18547 6356 1 7 . 1 1 70 70 GLU CB C 60 30.200 30.200 29.023 1.177 18547 6357 1 7 . 1 1 70 70 GLU H H 60 9.130 9.130 8.838 0.292 18547 6358 1 7 . 1 1 71 71 GLY N N 61 117.100 117.100 114.855 2.245 18547 6359 1 7 . 1 1 71 71 GLY C C 61 174.900 174.900 174.442 0.458 18547 6360 1 7 . 1 1 71 71 GLY CA C 61 45.600 45.600 44.658 0.942 18547 6361 1 7 . 1 1 71 71 GLY H H 61 8.710 8.710 8.372 0.338 18547 6362 1 7 . 1 1 72 72 GLY N N 62 110.300 110.300 110.249 0.051 18547 6363 1 7 . 1 1 72 72 GLY C C 62 174.200 174.200 172.647 1.553 18547 6364 1 7 . 1 1 72 72 GLY CA C 62 43.400 43.400 43.706 -0.306 18547 6365 1 7 . 1 1 72 72 GLY H H 62 8.760 8.760 8.275 0.485 18547 6366 1 7 . 1 1 73 73 ASN N N 63 117.800 117.800 116.527 1.273 18547 6367 1 7 . 1 1 73 73 ASN HA H 63 5.490 5.490 5.085 0.405 18547 6368 1 7 . 1 1 73 73 ASN C C 63 171.400 171.400 173.763 -2.363 18547 6369 1 7 . 1 1 73 73 ASN CA C 63 52.900 52.900 52.382 0.518 18547 6370 1 7 . 1 1 73 73 ASN CB C 63 41.500 41.500 42.054 -0.554 18547 6371 1 7 . 1 1 73 73 ASN H H 63 8.890 8.890 8.077 0.813 18547 6372 1 7 . 1 1 74 74 PHE N N 64 113.500 113.500 117.380 -3.880 18547 6373 1 7 . 1 1 74 74 PHE HA H 64 5.500 5.500 5.791 -0.291 18547 6374 1 7 . 1 1 74 74 PHE C C 64 173.200 173.200 173.875 -0.675 18547 6375 1 7 . 1 1 74 74 PHE CA C 64 55.900 55.900 55.253 0.647 18547 6376 1 7 . 1 1 74 74 PHE CB C 64 44.600 44.600 41.843 2.757 18547 6377 1 7 . 1 1 74 74 PHE H H 64 8.700 8.700 8.628 0.072 18547 6378 1 7 . 1 1 75 75 ALA N N 65 122.200 122.200 120.180 2.020 18547 6379 1 7 . 1 1 75 75 ALA HA H 65 4.350 4.350 4.614 -0.264 18547 6380 1 7 . 1 1 75 75 ALA C C 65 176.000 176.000 174.799 1.201 18547 6381 1 7 . 1 1 75 75 ALA CA C 65 52.500 52.500 51.799 0.701 18547 6382 1 7 . 1 1 75 75 ALA CB C 65 21.800 21.800 21.842 -0.042 18547 6383 1 7 . 1 1 75 75 ALA H H 65 8.690 8.690 8.127 0.563 18547 6384 1 7 . 1 1 76 76 LEU N N 66 123.800 123.800 120.595 3.205 18547 6385 1 7 . 1 1 76 76 LEU HA H 66 4.520 4.520 4.976 -0.456 18547 6386 1 7 . 1 1 76 76 LEU C C 66 175.800 175.800 176.265 -0.465 18547 6387 1 7 . 1 1 76 76 LEU CA C 66 52.500 52.500 53.429 -0.929 18547 6388 1 7 . 1 1 76 76 LEU CB C 66 42.400 42.400 46.740 -4.340 18547 6389 1 7 . 1 1 76 76 LEU H H 66 8.350 8.350 8.542 -0.192 18547 6390 1 7 . 1 1 77 77 GLN N N 67 127.400 127.400 121.721 5.679 18547 6391 1 7 . 1 1 77 77 GLN HA H 67 3.900 3.900 4.241 -0.341 18547 6392 1 7 . 1 1 77 77 GLN C C 67 176.600 176.600 176.531 0.069 18547 6393 1 7 . 1 1 77 77 GLN CA C 67 57.800 57.800 56.048 1.752 18547 6394 1 7 . 1 1 77 77 GLN CB C 67 28.000 28.000 29.367 -1.367 18547 6395 1 7 . 1 1 77 77 GLN H H 67 8.590 8.590 8.680 -0.090 18547 6396 1 7 . 1 1 78 78 GLY N N 68 114.800 114.800 115.190 -0.390 18547 6397 1 7 . 1 1 78 78 GLY C C 68 173.700 173.700 173.729 -0.029 18547 6398 1 7 . 1 1 78 78 GLY CA C 68 45.700 45.700 45.446 0.254 18547 6399 1 7 . 1 1 78 78 GLY H H 68 8.920 8.920 8.821 0.099 18547 6400 1 7 . 1 1 79 79 ASN N N 69 124.000 124.000 118.637 5.363 18547 6401 1 7 . 1 1 79 79 ASN HA H 69 4.600 4.600 4.249 0.351 18547 6402 1 7 . 1 1 79 79 ASN C C 69 173.300 173.300 173.009 0.291 18547 6403 1 7 . 1 1 79 79 ASN CA C 69 52.900 52.900 52.805 0.095 18547 6404 1 7 . 1 1 79 79 ASN CB C 69 41.600 41.600 39.739 1.861 18547 6405 1 7 . 1 1 79 79 ASN H H 69 8.360 8.360 7.783 0.577 18547 6406 1 7 . 1 1 80 80 ALA N N 70 127.200 127.200 119.380 7.820 18547 6407 1 7 . 1 1 80 80 ALA HA H 70 4.170 4.170 4.186 -0.016 18547 6408 1 7 . 1 1 80 80 ALA C C 70 174.500 174.500 174.397 0.103 18547 6409 1 7 . 1 1 80 80 ALA CA C 70 52.500 52.500 50.590 1.910 18547 6410 1 7 . 1 1 80 80 ALA CB C 70 18.600 18.600 20.816 -2.216 18547 6411 1 7 . 1 1 80 80 ALA H H 70 8.930 8.930 7.567 1.363 18547 6412 1 7 . 1 1 81 81 SER N N 71 111.000 111.000 112.308 -1.308 18547 6413 1 7 . 1 1 81 81 SER HA H 71 4.170 4.170 4.224 -0.054 18547 6414 1 7 . 1 1 81 81 SER C C 71 170.900 170.900 173.108 -2.208 18547 6415 1 7 . 1 1 81 81 SER CA C 71 56.300 56.300 56.883 -0.583 18547 6416 1 7 . 1 1 81 81 SER CB C 71 66.600 66.600 65.446 1.154 18547 6417 1 7 . 1 1 81 81 SER H H 71 7.980 7.980 7.997 -0.017 18547 6418 1 7 . 1 1 82 82 GLY N N 72 102.700 102.700 109.118 -6.418 18547 6419 1 7 . 1 1 82 82 GLY C C 72 171.700 171.700 171.592 0.108 18547 6420 1 7 . 1 1 82 82 GLY CA C 72 46.200 46.200 44.084 2.116 18547 6421 1 7 . 1 1 82 82 GLY H H 72 6.940 6.940 7.156 -0.216 18547 6422 1 7 . 1 1 83 83 ASP N N 73 117.900 117.900 119.839 -1.939 18547 6423 1 7 . 1 1 83 83 ASP HA H 73 5.430 5.430 4.802 0.628 18547 6424 1 7 . 1 1 83 83 ASP C C 73 176.100 176.100 176.095 0.005 18547 6425 1 7 . 1 1 83 83 ASP CA C 73 52.700 52.700 55.026 -2.326 18547 6426 1 7 . 1 1 83 83 ASP CB C 73 43.600 43.600 42.936 0.664 18547 6427 1 7 . 1 1 83 83 ASP H H 73 8.770 8.770 8.327 0.443 18547 6428 1 7 . 1 1 84 84 ILE N N 74 120.200 120.200 121.786 -1.586 18547 6429 1 7 . 1 1 84 84 ILE HA H 74 4.530 4.530 4.293 0.237 18547 6430 1 7 . 1 1 84 84 ILE C C 74 175.600 175.600 176.427 -0.827 18547 6431 1 7 . 1 1 84 84 ILE CA C 74 61.700 61.700 59.307 2.393 18547 6432 1 7 . 1 1 84 84 ILE CB C 74 36.700 36.700 35.452 1.248 18547 6433 1 7 . 1 1 84 84 ILE H H 74 8.060 8.060 8.217 -0.157 18547 6434 1 7 . 1 1 85 85 LEU N N 75 130.400 130.400 127.565 2.835 18547 6435 1 7 . 1 1 85 85 LEU HA H 75 4.330 4.330 4.249 0.081 18547 6436 1 7 . 1 1 85 85 LEU C C 75 178.100 178.100 177.194 0.906 18547 6437 1 7 . 1 1 85 85 LEU CA C 75 57.000 57.000 57.248 -0.248 18547 6438 1 7 . 1 1 85 85 LEU CB C 75 42.000 42.000 42.325 -0.325 18547 6439 1 7 . 1 1 85 85 LEU H H 75 8.710 8.710 8.216 0.494 18547 6440 1 7 . 1 1 86 86 ARG N N 76 115.700 115.700 115.348 0.352 18547 6441 1 7 . 1 1 86 86 ARG HA H 76 4.840 4.840 4.532 0.308 18547 6442 1 7 . 1 1 86 86 ARG C C 76 174.900 174.900 173.914 0.986 18547 6443 1 7 . 1 1 86 86 ARG CA C 76 54.700 54.700 55.113 -0.413 18547 6444 1 7 . 1 1 86 86 ARG CB C 76 33.900 33.900 32.676 1.224 18547 6445 1 7 . 1 1 86 86 ARG H H 76 8.130 8.130 7.966 0.164 18547 6446 1 7 . 1 1 87 87 CYS N N 77 127.100 127.100 118.967 8.133 18547 6447 1 7 . 1 1 87 87 CYS HA H 77 5.130 5.130 5.103 0.027 18547 6448 1 7 . 1 1 87 87 CYS C C 77 171.700 171.700 173.821 -2.121 18547 6449 1 7 . 1 1 87 87 CYS CA C 77 54.600 54.600 57.647 -3.047 18547 6450 1 7 . 1 1 87 87 CYS CB C 77 33.000 33.000 30.155 2.845 18547 6451 1 7 . 1 1 87 87 CYS H H 77 10.630 10.630 8.915 1.715 18547 6452 1 7 . 1 1 88 88 GLU N N 78 128.200 128.200 124.213 3.987 18547 6453 1 7 . 1 1 88 88 GLU HA H 78 4.950 4.950 4.797 0.153 18547 6454 1 7 . 1 1 88 88 GLU CA C 78 52.100 52.100 53.731 -1.631 18547 6455 1 7 . 1 1 88 88 GLU CB C 78 30.500 30.500 30.190 0.310 18547 6456 1 7 . 1 1 88 88 GLU H H 78 9.460 9.460 9.186 0.274 18547 6457 1 7 . 1 1 89 89 PRO HA H 79 2.780 2.780 3.365 -0.585 18547 6458 1 7 . 1 1 89 89 PRO CA C 79 60.500 60.500 61.111 -0.611 18547 6459 1 7 . 1 1 89 89 PRO CB C 79 31.600 31.600 31.277 0.323 18547 6460 1 7 . 1 1 90 90 PRO HA H 80 2.250 2.250 3.064 -0.814 18547 6461 1 7 . 1 1 90 90 PRO C C 80 171.400 171.400 176.194 -4.794 18547 6462 1 7 . 1 1 90 90 PRO CA C 80 63.700 63.700 61.576 2.124 18547 6463 1 7 . 1 1 90 90 PRO CB C 80 30.500 30.500 32.107 -1.607 18547 6464 1 7 . 1 1 91 91 ARG N N 81 113.700 113.700 119.299 -5.599 18547 6465 1 7 . 1 1 91 91 ARG HA H 81 4.700 4.700 4.234 0.466 18547 6466 1 7 . 1 1 91 91 ARG C C 81 176.500 176.500 176.423 0.077 18547 6467 1 7 . 1 1 91 91 ARG CA C 81 57.400 57.400 57.997 -0.597 18547 6468 1 7 . 1 1 91 91 ARG CB C 81 34.200 34.200 31.005 3.195 18547 6469 1 7 . 1 1 91 91 ARG H H 81 7.640 7.640 7.739 -0.099 18547 6470 1 7 . 1 1 92 92 ARG N N 82 121.000 121.000 114.349 6.651 18547 6471 1 7 . 1 1 92 92 ARG HA H 82 5.700 5.700 5.611 0.089 18547 6472 1 7 . 1 1 92 92 ARG C C 82 172.700 172.700 173.994 -1.294 18547 6473 1 7 . 1 1 92 92 ARG CA C 82 55.900 55.900 55.100 0.800 18547 6474 1 7 . 1 1 92 92 ARG CB C 82 34.100 34.100 34.157 -0.057 18547 6475 1 7 . 1 1 92 92 ARG H H 82 7.710 7.710 7.934 -0.224 18547 6476 1 7 . 1 1 93 93 LEU N N 83 130.800 130.800 116.148 14.652 18547 6477 1 7 . 1 1 93 93 LEU HA H 83 5.250 5.250 5.107 0.143 18547 6478 1 7 . 1 1 93 93 LEU C C 83 174.000 174.000 175.167 -1.167 18547 6479 1 7 . 1 1 93 93 LEU CA C 83 53.700 53.700 54.329 -0.629 18547 6480 1 7 . 1 1 93 93 LEU CB C 83 47.100 47.100 45.617 1.483 18547 6481 1 7 . 1 1 93 93 LEU H H 83 9.080 9.080 8.880 0.200 18547 6482 1 7 . 1 1 94 94 THR N N 84 124.200 124.200 118.815 5.385 18547 6483 1 7 . 1 1 94 94 THR HA H 84 5.340 5.340 5.236 0.104 18547 6484 1 7 . 1 1 94 94 THR C C 84 174.100 174.100 173.836 0.264 18547 6485 1 7 . 1 1 94 94 THR CA C 84 62.700 62.700 62.140 0.560 18547 6486 1 7 . 1 1 94 94 THR CB C 84 69.600 69.600 69.627 -0.027 18547 6487 1 7 . 1 1 94 94 THR H H 84 9.310 9.310 8.301 1.009 18547 6488 1 7 . 1 1 95 95 ILE N N 85 121.600 121.600 123.758 -2.158 18547 6489 1 7 . 1 1 95 95 ILE HA H 85 5.630 5.630 5.166 0.464 18547 6490 1 7 . 1 1 95 95 ILE C C 85 175.000 175.000 174.309 0.691 18547 6491 1 7 . 1 1 95 95 ILE CA C 85 59.300 59.300 58.851 0.449 18547 6492 1 7 . 1 1 95 95 ILE CB C 85 40.900 40.900 40.868 0.032 18547 6493 1 7 . 1 1 95 95 ILE H H 85 9.700 9.700 8.791 0.909 18547 6494 1 7 . 1 1 96 96 SER N N 86 117.900 117.900 117.832 0.068 18547 6495 1 7 . 1 1 96 96 SER HA H 86 5.270 5.270 5.014 0.256 18547 6496 1 7 . 1 1 96 96 SER C C 86 172.200 172.200 173.985 -1.785 18547 6497 1 7 . 1 1 96 96 SER CA C 86 57.600 57.600 58.075 -0.475 18547 6498 1 7 . 1 1 96 96 SER CB C 86 65.700 65.700 65.331 0.369 18547 6499 1 7 . 1 1 96 96 SER H H 86 9.290 9.290 8.619 0.671 18547 6500 1 7 . 1 1 97 97 TRP N N 87 120.000 120.000 123.285 -3.285 18547 6501 1 7 . 1 1 97 97 TRP HA H 87 5.130 5.130 4.935 0.195 18547 6502 1 7 . 1 1 97 97 TRP C C 87 175.500 175.500 173.668 1.832 18547 6503 1 7 . 1 1 97 97 TRP CA C 87 57.900 57.900 57.235 0.665 18547 6504 1 7 . 1 1 97 97 TRP CB C 87 31.500 31.500 32.812 -1.312 18547 6505 1 7 . 1 1 97 97 TRP H H 87 7.790 7.790 8.399 -0.609 18547 6506 1 7 . 1 1 98 98 VAL N N 88 132.200 132.200 128.883 3.317 18547 6507 1 7 . 1 1 98 98 VAL HA H 88 4.460 4.460 4.361 0.099 18547 6508 1 7 . 1 1 98 98 VAL C C 88 175.100 175.100 174.333 0.767 18547 6509 1 7 . 1 1 98 98 VAL CA C 88 62.000 62.000 61.105 0.895 18547 6510 1 7 . 1 1 98 98 VAL CB C 88 32.500 32.500 32.643 -0.143 18547 6511 1 7 . 1 1 98 98 VAL H H 88 9.620 9.620 8.386 1.234 18547 6512 1 7 . 1 1 99 99 TYR N N 89 130.300 130.300 130.541 -0.241 18547 6513 1 7 . 1 1 99 99 TYR HA H 89 4.440 4.440 4.227 0.213 18547 6514 1 7 . 1 1 99 99 TYR C C 89 173.900 173.900 175.737 -1.837 18547 6515 1 7 . 1 1 99 99 TYR CA C 89 56.800 56.800 58.830 -2.030 18547 6516 1 7 . 1 1 99 99 TYR CB C 89 42.100 42.100 37.611 4.489 18547 6517 1 7 . 1 1 99 99 TYR H H 89 9.670 9.670 9.015 0.655 18547 6518 1 7 . 1 1 100 100 GLU N N 90 127.100 127.100 126.330 0.770 18547 6519 1 7 . 1 1 100 100 GLU HA H 90 3.940 3.940 3.763 0.177 18547 6520 1 7 . 1 1 100 100 GLU C C 90 176.700 176.700 175.756 0.944 18547 6521 1 7 . 1 1 100 100 GLU CA C 90 58.300 58.300 58.367 -0.067 18547 6522 1 7 . 1 1 100 100 GLU CB C 90 29.200 29.200 28.669 0.531 18547 6523 1 7 . 1 1 100 100 GLU H H 90 8.080 8.080 8.167 -0.087 18547 6524 1 7 . 1 1 101 101 GLY N N 91 113.100 113.100 108.711 4.389 18547 6525 1 7 . 1 1 101 101 GLY C C 91 173.900 173.900 173.769 0.131 18547 6526 1 7 . 1 1 101 101 GLY CA C 91 45.200 45.200 44.974 0.226 18547 6527 1 7 . 1 1 101 101 GLY H H 91 8.850 8.850 8.288 0.562 18547 6528 1 7 . 1 1 102 102 LYS N N 92 120.100 120.100 121.981 -1.881 18547 6529 1 7 . 1 1 102 102 LYS HA H 92 4.990 4.990 4.750 0.240 18547 6530 1 7 . 1 1 102 102 LYS CA C 92 52.500 52.500 53.380 -0.880 18547 6531 1 7 . 1 1 102 102 LYS CB C 92 33.200 33.200 32.130 1.070 18547 6532 1 7 . 1 1 102 102 LYS H H 92 8.270 8.270 7.871 0.399 18547 6533 1 7 . 1 1 103 103 PRO HA H 93 4.620 4.620 4.273 0.347 18547 6534 1 7 . 1 1 103 103 PRO C C 93 176.700 176.700 176.468 0.232 18547 6535 1 7 . 1 1 103 103 PRO CA C 93 62.400 62.400 63.792 -1.393 18547 6536 1 7 . 1 1 103 103 PRO CB C 93 31.400 31.400 32.112 -0.712 18547 6537 1 7 . 1 1 104 104 ASP N N 94 124.500 124.500 124.467 0.033 18547 6538 1 7 . 1 1 104 104 ASP HA H 94 4.860 4.860 5.026 -0.166 18547 6539 1 7 . 1 1 104 104 ASP C C 94 177.100 177.100 176.470 0.630 18547 6540 1 7 . 1 1 104 104 ASP CA C 94 55.900 55.900 56.201 -0.301 18547 6541 1 7 . 1 1 104 104 ASP CB C 94 40.500 40.500 42.284 -1.784 18547 6542 1 7 . 1 1 104 104 ASP H H 94 8.850 8.850 8.661 0.189 18547 6543 1 7 . 1 1 105 105 SER N N 95 118.600 118.600 117.050 1.550 18547 6544 1 7 . 1 1 105 105 SER HA H 95 5.280 5.280 5.355 -0.075 18547 6545 1 7 . 1 1 105 105 SER C C 95 173.700 173.700 172.973 0.727 18547 6546 1 7 . 1 1 105 105 SER CA C 95 57.900 57.900 57.679 0.221 18547 6547 1 7 . 1 1 105 105 SER CB C 95 65.600 65.600 66.919 -1.319 18547 6548 1 7 . 1 1 105 105 SER H H 95 9.260 9.260 8.473 0.787 18547 6549 1 7 . 1 1 106 106 GLU N N 96 124.100 124.100 123.797 0.303 18547 6550 1 7 . 1 1 106 106 GLU HA H 96 5.180 5.180 4.673 0.507 18547 6551 1 7 . 1 1 106 106 GLU C C 96 172.400 172.400 175.618 -3.218 18547 6552 1 7 . 1 1 106 106 GLU CA C 96 57.200 57.200 55.039 2.160 18547 6553 1 7 . 1 1 106 106 GLU CB C 96 36.100 36.100 30.948 5.152 18547 6554 1 7 . 1 1 106 106 GLU H H 96 8.620 8.620 8.498 0.122 18547 6555 1 7 . 1 1 107 107 VAL N N 97 128.100 128.100 127.680 0.420 18547 6556 1 7 . 1 1 107 107 VAL HA H 97 4.770 4.770 4.358 0.412 18547 6557 1 7 . 1 1 107 107 VAL C C 97 173.100 173.100 174.989 -1.889 18547 6558 1 7 . 1 1 107 107 VAL CA C 97 60.100 60.100 62.121 -2.021 18547 6559 1 7 . 1 1 107 107 VAL CB C 97 34.200 34.200 32.273 1.927 18547 6560 1 7 . 1 1 107 107 VAL H H 97 9.180 9.180 8.734 0.446 18547 6561 1 7 . 1 1 108 108 GLU N N 98 126.200 126.200 127.578 -1.378 18547 6562 1 7 . 1 1 108 108 GLU HA H 98 5.580 5.580 5.344 0.236 18547 6563 1 7 . 1 1 108 108 GLU C C 98 172.100 172.100 174.483 -2.383 18547 6564 1 7 . 1 1 108 108 GLU CA C 98 54.200 54.200 54.513 -0.313 18547 6565 1 7 . 1 1 108 108 GLU CB C 98 35.200 35.200 33.067 2.133 18547 6566 1 7 . 1 1 108 108 GLU H H 98 9.300 9.300 8.832 0.468 18547 6567 1 7 . 1 1 109 109 LEU N N 99 128.600 128.600 126.211 2.389 18547 6568 1 7 . 1 1 109 109 LEU HA H 99 5.080 5.080 5.297 -0.217 18547 6569 1 7 . 1 1 109 109 LEU C C 99 175.100 175.100 174.417 0.683 18547 6570 1 7 . 1 1 109 109 LEU CA C 99 52.700 52.700 53.522 -0.822 18547 6571 1 7 . 1 1 109 109 LEU CB C 99 46.400 46.400 45.845 0.555 18547 6572 1 7 . 1 1 109 109 LEU H H 99 9.330 9.330 8.727 0.603 18547 6573 1 7 . 1 1 110 110 ARG N N 100 124.700 124.700 127.495 -2.795 18547 6574 1 7 . 1 1 110 110 ARG HA H 100 5.390 5.390 5.223 0.167 18547 6575 1 7 . 1 1 110 110 ARG C C 100 175.400 175.400 174.117 1.283 18547 6576 1 7 . 1 1 110 110 ARG CA C 100 54.600 54.600 54.892 -0.292 18547 6577 1 7 . 1 1 110 110 ARG CB C 100 34.100 34.100 33.626 0.474 18547 6578 1 7 . 1 1 110 110 ARG H H 100 9.430 9.430 8.781 0.649 18547 6579 1 7 . 1 1 111 111 LEU N N 101 122.900 122.900 128.660 -5.760 18547 6580 1 7 . 1 1 111 111 LEU HA H 101 5.620 5.620 5.749 -0.129 18547 6581 1 7 . 1 1 111 111 LEU C C 101 177.100 177.100 175.305 1.795 18547 6582 1 7 . 1 1 111 111 LEU CA C 101 53.000 53.000 53.561 -0.561 18547 6583 1 7 . 1 1 111 111 LEU CB C 101 44.900 44.900 45.229 -0.329 18547 6584 1 7 . 1 1 111 111 LEU H H 101 9.120 9.120 8.960 0.160 18547 6585 1 7 . 1 1 112 112 SER N N 102 113.800 113.800 116.535 -2.735 18547 6586 1 7 . 1 1 112 112 SER HA H 102 4.690 4.690 4.823 -0.133 18547 6587 1 7 . 1 1 112 112 SER C C 102 172.700 172.700 172.944 -0.244 18547 6588 1 7 . 1 1 112 112 SER CA C 102 57.000 57.000 56.501 0.499 18547 6589 1 7 . 1 1 112 112 SER CB C 102 65.700 65.700 66.670 -0.970 18547 6590 1 7 . 1 1 112 112 SER H H 102 8.770 8.770 8.335 0.435 18547 6591 1 7 . 1 1 113 113 GLU N N 103 123.400 123.400 123.475 -0.075 18547 6592 1 7 . 1 1 113 113 GLU HA H 103 4.440 4.440 4.443 -0.003 18547 6593 1 7 . 1 1 113 113 GLU C C 103 176.600 176.600 176.768 -0.168 18547 6594 1 7 . 1 1 113 113 GLU CA C 103 57.500 57.500 57.180 0.320 18547 6595 1 7 . 1 1 113 113 GLU CB C 103 30.200 30.200 30.083 0.117 18547 6596 1 7 . 1 1 113 113 GLU H H 103 9.200 9.200 8.616 0.584 18547 6597 1 7 . 1 1 114 114 GLU N N 104 126.500 126.500 125.502 0.998 18547 6598 1 7 . 1 1 114 114 GLU HA H 104 4.450 4.450 4.574 -0.124 18547 6599 1 7 . 1 1 114 114 GLU C C 104 175.600 175.600 177.018 -1.418 18547 6600 1 7 . 1 1 114 114 GLU CA C 104 55.700 55.700 55.413 0.287 18547 6601 1 7 . 1 1 114 114 GLU CB C 104 31.300 31.300 30.688 0.612 18547 6602 1 7 . 1 1 114 114 GLU H H 104 8.110 8.110 8.188 -0.078 18547 6603 1 7 . 1 1 115 115 GLY N N 105 118.000 118.000 116.576 1.424 18547 6604 1 7 . 1 1 115 115 GLY C C 105 174.700 174.700 174.617 0.083 18547 6605 1 7 . 1 1 115 115 GLY CA C 105 47.100 47.100 47.273 -0.173 18547 6606 1 7 . 1 1 115 115 GLY H H 105 9.030 9.030 8.858 0.172 18547 6607 1 7 . 1 1 116 116 ASP N N 106 126.200 126.200 125.694 0.506 18547 6608 1 7 . 1 1 116 116 ASP HA H 106 4.750 4.750 4.932 -0.182 18547 6609 1 7 . 1 1 116 116 ASP C C 106 175.600 175.600 175.955 -0.355 18547 6610 1 7 . 1 1 116 116 ASP CA C 106 54.300 54.300 53.213 1.087 18547 6611 1 7 . 1 1 116 116 ASP CB C 106 40.800 40.800 41.890 -1.090 18547 6612 1 7 . 1 1 116 116 ASP H H 106 8.800 8.800 8.442 0.358 18547 6613 1 7 . 1 1 117 117 GLY N N 107 109.500 109.500 107.650 1.850 18547 6614 1 7 . 1 1 117 117 GLY C C 107 174.400 174.400 173.493 0.907 18547 6615 1 7 . 1 1 117 117 GLY CA C 107 44.800 44.800 44.599 0.201 18547 6616 1 7 . 1 1 117 117 GLY H H 107 8.040 8.040 7.926 0.114 18547 6617 1 7 . 1 1 118 118 THR N N 108 120.400 120.400 115.074 5.326 18547 6618 1 7 . 1 1 118 118 THR HA H 108 4.970 4.970 5.011 -0.041 18547 6619 1 7 . 1 1 118 118 THR C C 108 173.000 173.000 172.861 0.139 18547 6620 1 7 . 1 1 118 118 THR CA C 108 63.500 63.500 62.130 1.370 18547 6621 1 7 . 1 1 118 118 THR CB C 108 73.000 73.000 72.598 0.402 18547 6622 1 7 . 1 1 118 118 THR H H 108 9.010 9.010 8.375 0.635 18547 6623 1 7 . 1 1 119 119 LEU N N 109 129.000 129.000 128.363 0.637 18547 6624 1 7 . 1 1 119 119 LEU HA H 109 4.790 4.790 4.675 0.115 18547 6625 1 7 . 1 1 119 119 LEU C C 109 173.500 173.500 174.162 -0.662 18547 6626 1 7 . 1 1 119 119 LEU CA C 109 54.300 54.300 53.970 0.330 18547 6627 1 7 . 1 1 119 119 LEU CB C 109 42.900 42.900 44.017 -1.117 18547 6628 1 7 . 1 1 119 119 LEU H H 109 9.410 9.410 8.786 0.624 18547 6629 1 7 . 1 1 120 120 LEU N N 110 132.200 132.200 129.222 2.978 18547 6630 1 7 . 1 1 120 120 LEU HA H 110 4.820 4.820 5.095 -0.275 18547 6631 1 7 . 1 1 120 120 LEU C C 110 174.100 174.100 174.994 -0.894 18547 6632 1 7 . 1 1 120 120 LEU CA C 110 54.900 54.900 53.700 1.200 18547 6633 1 7 . 1 1 120 120 LEU CB C 110 45.300 45.300 44.502 0.798 18547 6634 1 7 . 1 1 120 120 LEU H H 110 9.430 9.430 8.649 0.781 18547 6635 1 7 . 1 1 121 121 GLU N N 111 125.800 125.800 126.847 -1.047 18547 6636 1 7 . 1 1 121 121 GLU HA H 111 5.530 5.530 4.799 0.731 18547 6637 1 7 . 1 1 121 121 GLU C C 111 173.500 173.500 174.715 -1.215 18547 6638 1 7 . 1 1 121 121 GLU CA C 111 54.500 54.500 54.948 -0.448 18547 6639 1 7 . 1 1 121 121 GLU CB C 111 33.100 33.100 31.540 1.560 18547 6640 1 7 . 1 1 121 121 GLU H H 111 8.970 8.970 8.875 0.095 18547 6641 1 7 . 1 1 122 122 LEU N N 112 127.300 127.300 128.433 -1.133 18547 6642 1 7 . 1 1 122 122 LEU HA H 112 5.030 5.030 4.875 0.155 18547 6643 1 7 . 1 1 122 122 LEU C C 112 173.700 173.700 174.660 -0.960 18547 6644 1 7 . 1 1 122 122 LEU CA C 112 53.200 53.200 53.523 -0.323 18547 6645 1 7 . 1 1 122 122 LEU CB C 112 45.400 45.400 43.540 1.860 18547 6646 1 7 . 1 1 122 122 LEU H H 112 8.950 8.950 8.744 0.206 18547 6647 1 7 . 1 1 123 123 GLU N N 113 127.900 127.900 128.338 -0.438 18547 6648 1 7 . 1 1 123 123 GLU HA H 113 5.750 5.750 5.154 0.596 18547 6649 1 7 . 1 1 123 123 GLU C C 113 174.200 174.200 174.683 -0.483 18547 6650 1 7 . 1 1 123 123 GLU CA C 113 52.900 52.900 54.367 -1.467 18547 6651 1 7 . 1 1 123 123 GLU CB C 113 33.300 33.300 32.746 0.554 18547 6652 1 7 . 1 1 123 123 GLU H H 113 9.350 9.350 8.885 0.465 18547 6653 1 7 . 1 1 124 124 HIS N N 114 128.200 128.200 126.386 1.814 18547 6654 1 7 . 1 1 124 124 HIS HA H 114 5.240 5.240 5.112 0.128 18547 6655 1 7 . 1 1 124 124 HIS C C 114 173.900 173.900 172.904 0.996 18547 6656 1 7 . 1 1 124 124 HIS CA C 114 54.300 54.300 54.717 -0.417 18547 6657 1 7 . 1 1 124 124 HIS CB C 114 34.600 34.600 33.261 1.339 18547 6658 1 7 . 1 1 124 124 HIS H H 114 8.770 8.770 8.830 -0.060 18547 6659 1 7 . 1 1 125 125 ALA N N 115 128.600 128.600 131.005 -2.405 18547 6660 1 7 . 1 1 125 125 ALA HA H 115 5.150 5.150 5.369 -0.219 18547 6661 1 7 . 1 1 125 125 ALA C C 115 175.400 175.400 175.788 -0.388 18547 6662 1 7 . 1 1 125 125 ALA CA C 115 50.100 50.100 50.372 -0.272 18547 6663 1 7 . 1 1 125 125 ALA CB C 115 22.500 22.500 20.841 1.659 18547 6664 1 7 . 1 1 125 125 ALA H H 115 9.360 9.360 8.664 0.696 18547 6665 1 7 . 1 1 126 126 THR N N 116 115.800 115.800 118.058 -2.258 18547 6666 1 7 . 1 1 126 126 THR HA H 116 4.960 4.960 4.898 0.062 18547 6667 1 7 . 1 1 126 126 THR C C 116 172.200 172.200 175.014 -2.814 18547 6668 1 7 . 1 1 126 126 THR CA C 116 58.800 58.800 59.858 -1.058 18547 6669 1 7 . 1 1 126 126 THR CB C 116 69.200 69.200 71.719 -2.519 18547 6670 1 7 . 1 1 126 126 THR H H 116 8.760 8.760 8.503 0.257 18547 6671 1 7 . 1 1 127 127 THR N N 117 116.000 116.000 116.620 -0.620 18547 6672 1 7 . 1 1 127 127 THR HA H 117 4.390 4.390 4.501 -0.111 18547 6673 1 7 . 1 1 127 127 THR C C 117 174.400 174.400 174.755 -0.355 18547 6674 1 7 . 1 1 127 127 THR CA C 117 62.900 62.900 62.847 0.053 18547 6675 1 7 . 1 1 127 127 THR CB C 117 68.800 68.800 69.100 -0.300 18547 6676 1 7 . 1 1 127 127 THR H H 117 8.460 8.460 8.735 -0.275 18547 6677 1 7 . 1 1 128 128 SER N N 118 116.400 116.400 118.337 -1.937 18547 6678 1 7 . 1 1 128 128 SER HA H 118 4.890 4.890 4.712 0.178 18547 6679 1 7 . 1 1 128 128 SER C C 118 174.700 174.700 174.500 0.200 18547 6680 1 7 . 1 1 128 128 SER CA C 118 55.400 55.400 57.218 -1.818 18547 6681 1 7 . 1 1 128 128 SER CB C 118 63.000 63.000 65.254 -2.254 18547 6682 1 7 . 1 1 128 128 SER H H 118 7.730 7.730 7.491 0.239 18547 6683 1 7 . 1 1 129 129 GLU N N 119 130.300 130.300 126.485 3.815 18547 6684 1 7 . 1 1 129 129 GLU HA H 119 3.940 3.940 3.840 0.100 18547 6685 1 7 . 1 1 129 129 GLU C C 119 178.400 178.400 178.233 0.167 18547 6686 1 7 . 1 1 129 129 GLU CA C 119 59.900 59.900 60.575 -0.675 18547 6687 1 7 . 1 1 129 129 GLU CB C 119 29.700 29.700 29.282 0.418 18547 6688 1 7 . 1 1 129 129 GLU H H 119 9.000 9.000 9.123 -0.123 18547 6689 1 7 . 1 1 130 130 GLN N N 120 117.300 117.300 117.239 0.061 18547 6690 1 7 . 1 1 130 130 GLN HA H 120 4.120 4.120 3.984 0.136 18547 6691 1 7 . 1 1 130 130 GLN C C 120 177.900 177.900 178.065 -0.165 18547 6692 1 7 . 1 1 130 130 GLN CA C 120 58.400 58.400 58.853 -0.453 18547 6693 1 7 . 1 1 130 130 GLN CB C 120 28.000 28.000 27.893 0.107 18547 6694 1 7 . 1 1 130 130 GLN H H 120 8.410 8.410 8.604 -0.194 18547 6695 1 7 . 1 1 131 131 MET N N 121 118.300 118.300 119.547 -1.247 18547 6696 1 7 . 1 1 131 131 MET HA H 121 4.240 4.240 4.134 0.106 18547 6697 1 7 . 1 1 131 131 MET C C 121 176.400 176.400 178.380 -1.980 18547 6698 1 7 . 1 1 131 131 MET CA C 121 57.300 57.300 57.736 -0.436 18547 6699 1 7 . 1 1 131 131 MET CB C 121 32.400 32.400 31.858 0.542 18547 6700 1 7 . 1 1 131 131 MET H H 121 7.640 7.640 8.030 -0.390 18547 6701 1 7 . 1 1 132 132 LEU N N 122 118.700 118.700 118.880 -0.180 18547 6702 1 7 . 1 1 132 132 LEU HA H 122 3.630 3.630 3.795 -0.165 18547 6703 1 7 . 1 1 132 132 LEU C C 122 177.100 177.100 178.996 -1.896 18547 6704 1 7 . 1 1 132 132 LEU CA C 122 58.300 58.300 57.766 0.534 18547 6705 1 7 . 1 1 132 132 LEU CB C 122 41.900 41.900 41.601 0.299 18547 6706 1 7 . 1 1 132 132 LEU H H 122 7.470 7.470 7.840 -0.370 18547 6707 1 7 . 1 1 133 133 VAL N N 123 114.600 114.600 118.900 -4.300 18547 6708 1 7 . 1 1 133 133 VAL HA H 123 3.360 3.360 3.557 -0.197 18547 6709 1 7 . 1 1 133 133 VAL C C 123 176.700 176.700 178.230 -1.530 18547 6710 1 7 . 1 1 133 133 VAL CA C 123 66.600 66.600 66.215 0.385 18547 6711 1 7 . 1 1 133 133 VAL CB C 123 31.800 31.800 30.849 0.951 18547 6712 1 7 . 1 1 133 133 VAL H H 123 7.040 7.040 7.650 -0.610 18547 6713 1 7 . 1 1 134 134 GLU N N 124 116.700 116.700 120.211 -3.511 18547 6714 1 7 . 1 1 134 134 GLU HA H 124 3.900 3.900 3.885 0.015 18547 6715 1 7 . 1 1 134 134 GLU C C 124 180.700 180.700 178.887 1.813 18547 6716 1 7 . 1 1 134 134 GLU CA C 124 59.300 59.300 59.320 -0.020 18547 6717 1 7 . 1 1 134 134 GLU CB C 124 29.900 29.900 29.348 0.552 18547 6718 1 7 . 1 1 134 134 GLU H H 124 7.200 7.200 8.323 -1.123 18547 6719 1 7 . 1 1 135 135 VAL N N 125 114.700 114.700 115.737 -1.037 18547 6720 1 7 . 1 1 135 135 VAL HA H 125 3.930 3.930 3.523 0.407 18547 6721 1 7 . 1 1 135 135 VAL C C 125 177.900 177.900 177.394 0.506 18547 6722 1 7 . 1 1 135 135 VAL CA C 125 63.800 63.800 65.208 -1.408 18547 6723 1 7 . 1 1 135 135 VAL CB C 125 30.400 30.400 30.551 -0.151 18547 6724 1 7 . 1 1 135 135 VAL H H 125 8.620 8.620 7.335 1.285 18547 6725 1 7 . 1 1 136 136 GLY N N 126 112.200 112.200 107.881 4.319 18547 6726 1 7 . 1 1 136 136 GLY C C 126 174.800 174.800 176.282 -1.482 18547 6727 1 7 . 1 1 136 136 GLY CA C 126 47.200 47.200 46.470 0.730 18547 6728 1 7 . 1 1 136 136 GLY H H 126 7.750 7.750 7.375 0.375 18547 6729 1 7 . 1 1 137 137 VAL N N 127 119.100 119.100 122.895 -3.795 18547 6730 1 7 . 1 1 137 137 VAL HA H 127 3.510 3.510 3.829 -0.319 18547 6731 1 7 . 1 1 137 137 VAL C C 127 179.100 179.100 177.731 1.369 18547 6732 1 7 . 1 1 137 137 VAL CA C 127 67.400 67.400 66.037 1.363 18547 6733 1 7 . 1 1 137 137 VAL CB C 127 32.500 32.500 31.639 0.861 18547 6734 1 7 . 1 1 137 137 VAL H H 127 7.680 7.680 7.664 0.016 18547 6735 1 7 . 1 1 138 138 GLY N N 128 106.300 106.300 107.788 -1.488 18547 6736 1 7 . 1 1 138 138 GLY C C 128 177.900 177.900 175.947 1.953 18547 6737 1 7 . 1 1 138 138 GLY CA C 128 47.300 47.300 47.248 0.052 18547 6738 1 7 . 1 1 138 138 GLY H H 128 8.210 8.210 8.114 0.096 18547 6739 1 7 . 1 1 139 139 TRP N N 129 122.500 122.500 121.943 0.557 18547 6740 1 7 . 1 1 139 139 TRP HA H 129 4.890 4.890 4.268 0.622 18547 6741 1 7 . 1 1 139 139 TRP C C 129 179.100 179.100 178.933 0.167 18547 6742 1 7 . 1 1 139 139 TRP CA C 129 59.800 59.800 59.569 0.231 18547 6743 1 7 . 1 1 139 139 TRP CB C 129 30.100 30.100 29.380 0.720 18547 6744 1 7 . 1 1 139 139 TRP H H 129 8.880 8.880 8.022 0.858 18547 6745 1 7 . 1 1 140 140 GLU N N 130 119.000 119.000 118.516 0.484 18547 6746 1 7 . 1 1 140 140 GLU HA H 130 4.020 4.020 4.105 -0.085 18547 6747 1 7 . 1 1 140 140 GLU C C 130 179.300 179.300 179.217 0.083 18547 6748 1 7 . 1 1 140 140 GLU CA C 130 62.900 62.900 59.239 3.662 18547 6749 1 7 . 1 1 140 140 GLU CB C 130 30.600 30.600 29.488 1.112 18547 6750 1 7 . 1 1 140 140 GLU H H 130 8.210 8.210 7.724 0.486 18547 6751 1 7 . 1 1 141 141 MET N N 131 117.100 117.100 118.977 -1.877 18547 6752 1 7 . 1 1 141 141 MET HA H 131 4.330 4.330 4.269 0.061 18547 6753 1 7 . 1 1 141 141 MET C C 131 178.500 178.500 178.612 -0.112 18547 6754 1 7 . 1 1 141 141 MET CA C 131 57.700 57.700 58.322 -0.622 18547 6755 1 7 . 1 1 141 141 MET CB C 131 30.600 30.600 32.093 -1.493 18547 6756 1 7 . 1 1 141 141 MET H H 131 8.210 8.210 7.995 0.215 18547 6757 1 7 . 1 1 142 142 ALA N N 132 121.400 121.400 122.023 -0.623 18547 6758 1 7 . 1 1 142 142 ALA HA H 132 4.720 4.720 4.759 -0.039 18547 6759 1 7 . 1 1 142 142 ALA C C 132 180.900 180.900 180.160 0.740 18547 6760 1 7 . 1 1 142 142 ALA CA C 132 55.700 55.700 55.410 0.290 18547 6761 1 7 . 1 1 142 142 ALA CB C 132 18.200 18.200 18.720 -0.520 18547 6762 1 7 . 1 1 142 142 ALA H H 132 7.910 7.910 8.283 -0.373 18547 6763 1 7 . 1 1 143 143 LEU N N 133 117.200 117.200 117.749 -0.549 18547 6764 1 7 . 1 1 143 143 LEU HA H 133 4.150 4.150 4.310 -0.160 18547 6765 1 7 . 1 1 143 143 LEU C C 133 180.300 180.300 178.641 1.659 18547 6766 1 7 . 1 1 143 143 LEU CA C 133 57.300 57.300 57.038 0.262 18547 6767 1 7 . 1 1 143 143 LEU CB C 133 40.600 40.600 41.203 -0.603 18547 6768 1 7 . 1 1 143 143 LEU H H 133 9.190 9.190 8.065 1.125 18547 6769 1 7 . 1 1 144 144 ASP N N 134 122.600 122.600 121.676 0.924 18547 6770 1 7 . 1 1 144 144 ASP HA H 134 4.580 4.580 4.345 0.235 18547 6771 1 7 . 1 1 144 144 ASP C C 134 179.900 179.900 178.540 1.360 18547 6772 1 7 . 1 1 144 144 ASP CA C 134 57.800 57.800 57.872 -0.072 18547 6773 1 7 . 1 1 144 144 ASP CB C 134 39.800 39.800 41.169 -1.369 18547 6774 1 7 . 1 1 144 144 ASP H H 134 7.930 7.930 7.759 0.171 18547 6775 1 7 . 1 1 145 145 PHE N N 135 119.300 119.300 118.949 0.351 18547 6776 1 7 . 1 1 145 145 PHE HA H 135 4.580 4.580 4.390 0.190 18547 6777 1 7 . 1 1 145 145 PHE C C 135 178.000 178.000 178.312 -0.312 18547 6778 1 7 . 1 1 145 145 PHE CA C 135 61.700 61.700 61.731 -0.031 18547 6779 1 7 . 1 1 145 145 PHE CB C 135 39.400 39.400 38.793 0.607 18547 6780 1 7 . 1 1 145 145 PHE H H 135 7.690 7.690 8.393 -0.703 18547 6781 1 7 . 1 1 146 146 LEU N N 136 124.400 124.400 120.194 4.206 18547 6782 1 7 . 1 1 146 146 LEU HA H 136 3.200 3.200 3.905 -0.705 18547 6783 1 7 . 1 1 146 146 LEU C C 136 178.800 178.800 178.507 0.293 18547 6784 1 7 . 1 1 146 146 LEU CA C 136 58.400 58.400 57.153 1.247 18547 6785 1 7 . 1 1 146 146 LEU CB C 136 38.800 38.800 40.956 -2.156 18547 6786 1 7 . 1 1 146 146 LEU H H 136 7.930 7.930 8.115 -0.185 18547 6787 1 7 . 1 1 147 147 GLY N N 137 104.200 104.200 107.304 -3.104 18547 6788 1 7 . 1 1 147 147 GLY C C 137 176.100 176.100 176.176 -0.076 18547 6789 1 7 . 1 1 147 147 GLY CA C 137 47.900 47.900 47.069 0.831 18547 6790 1 7 . 1 1 147 147 GLY H H 137 8.340 8.340 7.733 0.607 18547 6791 1 7 . 1 1 148 148 MET N N 138 119.300 119.300 121.424 -2.124 18547 6792 1 7 . 1 1 148 148 MET HA H 138 4.090 4.090 4.115 -0.025 18547 6793 1 7 . 1 1 148 148 MET C C 138 177.700 177.700 178.143 -0.443 18547 6794 1 7 . 1 1 148 148 MET CA C 138 59.400 59.400 59.358 0.043 18547 6795 1 7 . 1 1 148 148 MET CB C 138 34.500 34.500 32.741 1.759 18547 6796 1 7 . 1 1 148 148 MET H H 138 7.550 7.550 8.010 -0.460 18547 6797 1 7 . 1 1 149 149 PHE N N 139 120.400 120.400 121.668 -1.268 18547 6798 1 7 . 1 1 149 149 PHE HA H 139 4.380 4.380 4.700 -0.320 18547 6799 1 7 . 1 1 149 149 PHE C C 139 179.100 179.100 177.777 1.323 18547 6800 1 7 . 1 1 149 149 PHE CA C 139 60.800 60.800 60.660 0.140 18547 6801 1 7 . 1 1 149 149 PHE CB C 139 39.200 39.200 39.258 -0.057 18547 6802 1 7 . 1 1 149 149 PHE H H 139 8.600 8.600 8.136 0.464 18547 6803 1 7 . 1 1 150 150 ILE N N 140 121.300 121.300 115.888 5.412 18547 6804 1 7 . 1 1 150 150 ILE HA H 140 3.420 3.420 3.460 -0.040 18547 6805 1 7 . 1 1 150 150 ILE C C 140 177.500 177.500 177.370 0.130 18547 6806 1 7 . 1 1 150 150 ILE CA C 140 63.100 63.100 63.463 -0.363 18547 6807 1 7 . 1 1 150 150 ILE CB C 140 37.100 37.100 37.804 -0.704 18547 6808 1 7 . 1 1 150 150 ILE H H 140 8.780 8.780 7.796 0.984 18547 6809 1 7 . 1 1 151 151 ARG N N 141 116.500 116.500 118.929 -2.429 18547 6810 1 7 . 1 1 151 151 ARG HA H 141 4.220 4.220 4.222 -0.002 18547 6811 1 7 . 1 1 151 151 ARG C C 141 176.700 176.700 176.976 -0.276 18547 6812 1 7 . 1 1 151 151 ARG CA C 141 57.500 57.500 57.471 0.029 18547 6813 1 7 . 1 1 151 151 ARG CB C 141 31.500 31.500 31.642 -0.142 18547 6814 1 7 . 1 1 151 151 ARG H H 141 7.730 7.730 7.805 -0.075 18547 6815 1 7 . 1 1 152 152 GLY N N 142 106.800 106.800 105.617 1.183 18547 6816 1 7 . 1 1 152 152 GLY C C 142 174.900 174.900 175.315 -0.415 18547 6817 1 7 . 1 1 152 152 GLY CA C 142 45.700 45.700 45.109 0.591 18547 6818 1 7 . 1 1 152 152 GLY H H 142 7.570 7.570 8.091 -0.521 18547 6819 1 7 . 1 1 153 153 ASP N N 143 119.400 119.400 122.045 -2.645 18547 6820 1 7 . 1 1 153 153 ASP HA H 143 4.780 4.780 4.537 0.243 18547 6821 1 7 . 1 1 153 153 ASP C C 143 175.400 175.400 176.913 -1.513 18547 6822 1 7 . 1 1 153 153 ASP CA C 143 54.200 54.200 56.165 -1.965 18547 6823 1 7 . 1 1 153 153 ASP CB C 143 42.100 42.100 41.226 0.874 18547 6824 1 7 . 1 1 153 153 ASP H H 143 8.290 8.290 8.101 0.189 18547 6825 1 7 . 1 1 154 154 LEU N N 144 121.300 121.300 121.074 0.226 18547 6826 1 7 . 1 1 154 154 LEU HA H 144 4.810 4.810 4.945 -0.135 18547 6827 1 7 . 1 1 154 154 LEU CA C 144 52.800 52.800 51.770 1.030 18547 6828 1 7 . 1 1 154 154 LEU CB C 144 42.500 42.500 44.020 -1.520 18547 6829 1 7 . 1 1 154 154 LEU H H 144 8.010 8.010 7.561 0.449 18547 6830 1 7 . 1 1 155 155 PRO HA H 145 4.480 4.480 4.737 -0.257 18547 6831 1 7 . 1 1 155 155 PRO C C 145 177.600 177.600 176.292 1.308 18547 6832 1 7 . 1 1 155 155 PRO CA C 145 63.500 63.500 63.581 -0.081 18547 6833 1 7 . 1 1 155 155 PRO CB C 145 32.200 32.200 32.482 -0.282 18547 6834 1 7 . 1 1 156 156 GLY N N 146 108.900 108.900 104.316 4.584 18547 6835 1 7 . 1 1 156 156 GLY C C 146 174.300 174.300 173.186 1.114 18547 6836 1 7 . 1 1 156 156 GLY CA C 146 45.100 45.100 45.233 -0.133 18547 6837 1 7 . 1 1 156 156 GLY H H 146 8.530 8.530 7.689 0.841 18547 6838 1 7 . 1 1 157 157 GLY N N 147 108.800 108.800 110.969 -2.169 18547 6839 1 7 . 1 1 157 157 GLY CA C 147 44.500 44.500 45.106 -0.606 18547 6840 1 7 . 1 1 157 157 GLY H H 147 8.080 8.080 7.946 0.134 18547 6841 1 7 . 1 1 158 158 PRO HA H 148 4.440 4.440 4.322 0.118 18547 6842 1 7 . 1 1 158 158 PRO C C 148 176.800 176.800 176.274 0.526 18547 6843 1 7 . 1 1 158 158 PRO CA C 148 63.000 63.000 61.536 1.464 18547 6844 1 7 . 1 1 158 158 PRO CB C 148 32.100 32.100 33.259 -1.159 18547 6845 1 7 . 1 1 159 159 VAL N N 149 121.400 121.400 117.441 3.959 18547 6846 1 7 . 1 1 159 159 VAL HA H 149 4.390 4.390 4.247 0.143 18547 6847 1 7 . 1 1 159 159 VAL CA C 149 59.800 59.800 59.290 0.510 18547 6848 1 7 . 1 1 159 159 VAL CB C 149 32.600 32.600 29.708 2.892 18547 6849 1 7 . 1 1 159 159 VAL H H 149 8.220 8.220 8.152 0.068 18547 6850 1 7 . 1 1 160 160 PRO HA H 150 4.380 4.380 4.267 0.113 18547 6851 1 7 . 1 1 160 160 PRO C C 150 177.200 177.200 176.547 0.653 18547 6852 1 7 . 1 1 160 160 PRO CA C 150 63.300 63.300 64.916 -1.616 18547 6853 1 7 . 1 1 160 160 PRO CB C 150 32.100 32.100 32.413 -0.313 18547 6854 1 7 . 1 1 161 161 GLU N N 151 120.700 120.700 114.635 6.065 18547 6855 1 7 . 1 1 161 161 GLU HA H 151 4.170 4.170 4.336 -0.166 18547 6856 1 7 . 1 1 161 161 GLU CA C 151 57.400 57.400 56.333 1.067 18547 6857 1 7 . 1 1 161 161 GLU CB C 151 29.900 29.900 29.483 0.416 18547 6858 1 7 . 1 1 161 161 GLU H H 151 8.620 8.620 8.344 0.276 18547 6859 1 7 . 1 1 162 162 ASP N N 152 119.900 119.900 121.924 -2.024 18547 6860 1 7 . 1 1 162 162 ASP HA H 152 4.570 4.570 4.419 0.151 18547 6861 1 7 . 1 1 162 162 ASP C C 152 176.000 176.000 176.776 -0.776 18547 6862 1 7 . 1 1 162 162 ASP CA C 152 54.200 54.200 55.488 -1.288 18547 6863 1 7 . 1 1 162 162 ASP CB C 152 41.000 41.000 40.620 0.380 18547 6864 1 7 . 1 1 162 162 ASP H H 152 8.250 8.250 8.337 -0.087 18547 6865 1 7 . 1 1 163 163 ALA N N 153 124.000 124.000 120.228 3.772 18547 6866 1 7 . 1 1 163 163 ALA HA H 153 4.270 4.270 4.054 0.216 18547 6867 1 7 . 1 1 163 163 ALA C C 153 177.400 177.400 176.875 0.525 18547 6868 1 7 . 1 1 163 163 ALA CA C 153 52.700 52.700 52.281 0.419 18547 6869 1 7 . 1 1 163 163 ALA CB C 153 19.200 19.200 17.590 1.610 18547 6870 1 7 . 1 1 163 163 ALA H H 153 8.040 8.040 7.913 0.127 18547 6871 1 7 . 1 1 164 164 ALA N N 154 122.600 122.600 120.749 1.851 18547 6872 1 7 . 1 1 164 164 ALA HA H 154 4.260 4.260 4.714 -0.454 18547 6873 1 7 . 1 1 164 164 ALA C C 154 177.900 177.900 177.725 0.175 18547 6874 1 7 . 1 1 164 164 ALA CA C 154 52.600 52.600 51.799 0.801 18547 6875 1 7 . 1 1 164 164 ALA CB C 154 19.300 19.300 18.568 0.732 18547 6876 1 7 . 1 1 164 164 ALA H H 154 8.190 8.190 8.071 0.119 18547 6877 1 7 . 1 1 165 165 GLU N N 155 119.400 119.400 123.252 -3.852 18547 6878 1 7 . 1 1 165 165 GLU HA H 155 4.220 4.220 4.425 -0.205 18547 6879 1 7 . 1 1 165 165 GLU C C 155 176.200 176.200 177.154 -0.954 18547 6880 1 7 . 1 1 165 165 GLU CA C 155 56.500 56.500 58.092 -1.592 18547 6881 1 7 . 1 1 165 165 GLU CB C 155 30.300 30.300 31.061 -0.762 18547 6882 1 7 . 1 1 165 165 GLU H H 155 8.190 8.190 8.323 -0.133 18547 6883 1 7 . 1 1 166 166 GLU N N 156 121.000 121.000 116.100 4.900 18547 6884 1 7 . 1 1 166 166 GLU HA H 156 4.240 4.240 4.471 -0.231 18547 6885 1 7 . 1 1 166 166 GLU C C 156 175.800 175.800 176.928 -1.128 18547 6886 1 7 . 1 1 166 166 GLU CA C 156 56.300 56.300 56.549 -0.249 18547 6887 1 7 . 1 1 166 166 GLU CB C 156 30.300 30.300 30.190 0.110 18547 6888 1 7 . 1 1 166 166 GLU H H 156 8.230 8.230 8.526 -0.296 18547 6889 1 7 . 1 1 167 167 PHE N N 157 121.400 121.400 120.119 1.281 18547 6890 1 7 . 1 1 167 167 PHE HA H 157 4.590 4.590 4.385 0.205 18547 6891 1 7 . 1 1 167 167 PHE C C 157 175.100 175.100 175.423 -0.323 18547 6892 1 7 . 1 1 167 167 PHE CA C 157 57.700 57.700 59.771 -2.071 18547 6893 1 7 . 1 1 167 167 PHE CB C 157 39.900 39.900 39.602 0.298 18547 6894 1 7 . 1 1 167 167 PHE H H 157 8.240 8.240 8.442 -0.202 18547 6895 1 7 . 1 1 168 168 GLU N N 158 124.400 124.400 120.346 4.054 18547 6896 1 7 . 1 1 168 168 GLU HA H 158 4.600 4.600 4.517 0.083 18547 6897 1 7 . 1 1 168 168 GLU CA C 158 53.700 53.700 53.604 0.096 18547 6898 1 7 . 1 1 168 168 GLU CB C 158 30.400 30.400 29.548 0.852 18547 6899 1 7 . 1 1 168 168 GLU H H 158 8.130 8.130 8.062 0.068 18547 6900 1 7 . 1 1 169 169 PRO HA H 159 4.460 4.460 4.510 -0.050 18547 6901 1 7 . 1 1 169 169 PRO C C 159 176.200 176.200 175.895 0.305 18547 6902 1 7 . 1 1 169 169 PRO CA C 159 62.800 62.800 62.320 0.480 18547 6903 1 7 . 1 1 169 169 PRO CB C 159 32.300 32.300 30.790 1.510 18547 6904 1 7 . 1 1 170 170 SER N N 160 118.600 118.600 118.775 -0.175 18547 6905 1 7 . 1 1 170 170 SER HA H 160 4.780 4.780 4.469 0.311 18547 6906 1 7 . 1 1 170 170 SER CA C 160 56.200 56.200 57.557 -1.357 18547 6907 1 7 . 1 1 170 170 SER CB C 160 63.200 63.200 63.599 -0.398 18547 6908 1 7 . 1 1 170 170 SER H H 160 8.290 8.290 7.675 0.615 18547 6909 1 7 . 1 1 171 171 PRO HA H 161 4.350 4.350 4.310 0.040 18547 6910 1 7 . 1 1 171 171 PRO C C 161 179.400 179.400 178.860 0.540 18547 6911 1 7 . 1 1 171 171 PRO CA C 161 65.500 65.500 65.236 0.264 18547 6912 1 7 . 1 1 171 171 PRO CB C 161 31.700 31.700 31.915 -0.214 18547 6913 1 7 . 1 1 172 172 GLU N N 162 118.300 118.300 119.233 -0.933 18547 6914 1 7 . 1 1 172 172 GLU HA H 162 4.160 4.160 4.174 -0.014 18547 6915 1 7 . 1 1 172 172 GLU C C 162 178.300 178.300 178.916 -0.616 18547 6916 1 7 . 1 1 172 172 GLU CA C 162 59.300 59.300 59.204 0.096 18547 6917 1 7 . 1 1 172 172 GLU CB C 162 29.400 29.400 29.087 0.313 18547 6918 1 7 . 1 1 172 172 GLU H H 162 8.540 8.540 8.611 -0.071 18547 6919 1 7 . 1 1 173 173 MET N N 163 119.400 119.400 119.830 -0.430 18547 6920 1 7 . 1 1 173 173 MET HA H 163 4.260 4.260 4.311 -0.051 18547 6921 1 7 . 1 1 173 173 MET C C 163 179.200 179.200 178.049 1.151 18547 6922 1 7 . 1 1 173 173 MET CA C 163 58.200 58.200 57.613 0.587 18547 6923 1 7 . 1 1 173 173 MET CB C 163 32.500 32.500 31.973 0.527 18547 6924 1 7 . 1 1 173 173 MET H H 163 7.830 7.830 8.184 -0.354 18547 6925 1 7 . 1 1 174 174 MET N N 164 119.300 119.300 119.209 0.091 18547 6926 1 7 . 1 1 174 174 MET HA H 164 4.260 4.260 4.093 0.167 18547 6927 1 7 . 1 1 174 174 MET C C 164 178.600 178.600 178.325 0.275 18547 6928 1 7 . 1 1 174 174 MET CA C 164 58.200 58.200 58.194 0.006 18547 6929 1 7 . 1 1 174 174 MET CB C 164 31.900 31.900 31.371 0.529 18547 6930 1 7 . 1 1 174 174 MET H H 164 8.320 8.320 8.640 -0.320 18547 6931 1 7 . 1 1 175 175 ARG N N 165 121.200 121.200 119.963 1.237 18547 6932 1 7 . 1 1 175 175 ARG HA H 165 4.160 4.160 3.886 0.274 18547 6933 1 7 . 1 1 175 175 ARG C C 165 178.800 178.800 178.779 0.021 18547 6934 1 7 . 1 1 175 175 ARG CA C 165 59.400 59.400 59.863 -0.463 18547 6935 1 7 . 1 1 175 175 ARG CB C 165 29.900 29.900 30.217 -0.317 18547 6936 1 7 . 1 1 175 175 ARG H H 165 8.020 8.020 7.668 0.352 18547 6937 1 7 . 1 1 176 176 ILE N N 166 120.500 120.500 118.480 2.020 18547 6938 1 7 . 1 1 176 176 ILE HA H 166 3.920 3.920 4.290 -0.370 18547 6939 1 7 . 1 1 176 176 ILE C C 166 178.500 178.500 178.512 -0.012 18547 6940 1 7 . 1 1 176 176 ILE CA C 166 64.500 64.500 63.051 1.449 18547 6941 1 7 . 1 1 176 176 ILE CB C 166 37.900 37.900 37.001 0.899 18547 6942 1 7 . 1 1 176 176 ILE H H 166 8.110 8.110 8.125 -0.015 18547 6943 1 7 . 1 1 177 177 SER N N 167 116.300 116.300 114.216 2.084 18547 6944 1 7 . 1 1 177 177 SER HA H 167 4.240 4.240 4.293 -0.053 18547 6945 1 7 . 1 1 177 177 SER C C 167 177.300 177.300 176.707 0.593 18547 6946 1 7 . 1 1 177 177 SER CA C 167 62.500 62.500 60.860 1.640 18547 6947 1 7 . 1 1 177 177 SER CB C 167 62.800 62.800 63.144 -0.344 18547 6948 1 7 . 1 1 177 177 SER H H 167 8.290 8.290 8.226 0.064 18547 6949 1 7 . 1 1 178 178 GLN N N 168 123.300 123.300 120.527 2.773 18547 6950 1 7 . 1 1 178 178 GLN HA H 168 4.110 4.110 4.284 -0.174 18547 6951 1 7 . 1 1 178 178 GLN C C 168 178.600 178.600 178.195 0.405 18547 6952 1 7 . 1 1 178 178 GLN CA C 168 59.200 59.200 57.899 1.301 18547 6953 1 7 . 1 1 178 178 GLN CB C 168 28.000 28.000 27.763 0.237 18547 6954 1 7 . 1 1 178 178 GLN H H 168 8.080 8.080 7.940 0.140 18547 6955 1 7 . 1 1 179 179 GLU N N 169 121.200 121.200 122.026 -0.826 18547 6956 1 7 . 1 1 179 179 GLU HA H 169 4.090 4.090 3.929 0.161 18547 6957 1 7 . 1 1 179 179 GLU C C 169 180.500 180.500 179.018 1.482 18547 6958 1 7 . 1 1 179 179 GLU CA C 169 59.500 59.500 59.695 -0.195 18547 6959 1 7 . 1 1 179 179 GLU CB C 169 29.700 29.700 29.538 0.162 18547 6960 1 7 . 1 1 179 179 GLU H H 169 8.380 8.380 8.027 0.353 18547 6961 1 7 . 1 1 180 180 ARG N N 170 120.800 120.800 117.372 3.428 18547 6962 1 7 . 1 1 180 180 ARG HA H 170 4.010 4.010 4.282 -0.272 18547 6963 1 7 . 1 1 180 180 ARG C C 170 178.100 178.100 178.997 -0.897 18547 6964 1 7 . 1 1 180 180 ARG CA C 170 59.900 59.900 57.002 2.897 18547 6965 1 7 . 1 1 180 180 ARG CB C 170 30.600 30.600 29.710 0.890 18547 6966 1 7 . 1 1 180 180 ARG H H 170 8.670 8.670 7.766 0.904 18547 6967 1 7 . 1 1 181 181 GLY N N 171 108.200 108.200 108.689 -0.489 18547 6968 1 7 . 1 1 181 181 GLY C C 171 176.600 176.600 176.392 0.208 18547 6969 1 7 . 1 1 181 181 GLY CA C 171 47.800 47.800 47.119 0.681 18547 6970 1 7 . 1 1 181 181 GLY H H 171 8.550 8.550 8.348 0.202 18547 6971 1 7 . 1 1 182 182 GLU N N 172 121.900 121.900 122.197 -0.297 18547 6972 1 7 . 1 1 182 182 GLU HA H 172 4.110 4.110 3.951 0.159 18547 6973 1 7 . 1 1 182 182 GLU C C 172 179.300 179.300 179.020 0.280 18547 6974 1 7 . 1 1 182 182 GLU CA C 172 59.300 59.300 59.096 0.204 18547 6975 1 7 . 1 1 182 182 GLU CB C 172 29.300 29.300 29.563 -0.263 18547 6976 1 7 . 1 1 182 182 GLU H H 172 8.190 8.190 8.169 0.021 18547 6977 1 7 . 1 1 183 183 ALA N N 173 123.500 123.500 122.511 0.989 18547 6978 1 7 . 1 1 183 183 ALA HA H 173 4.150 4.150 4.018 0.132 18547 6979 1 7 . 1 1 183 183 ALA C C 173 181.500 181.500 179.558 1.942 18547 6980 1 7 . 1 1 183 183 ALA CA C 173 55.000 55.000 54.783 0.217 18547 6981 1 7 . 1 1 183 183 ALA CB C 173 17.100 17.100 18.002 -0.902 18547 6982 1 7 . 1 1 183 183 ALA H H 173 7.800 7.800 7.537 0.263 18547 6983 1 7 . 1 1 184 184 TRP N N 174 118.100 118.100 118.836 -0.736 18547 6984 1 7 . 1 1 184 184 TRP HA H 174 4.540 4.540 4.339 0.201 18547 6985 1 7 . 1 1 184 184 TRP C C 174 178.500 178.500 178.453 0.047 18547 6986 1 7 . 1 1 184 184 TRP CA C 174 60.600 60.600 59.801 0.799 18547 6987 1 7 . 1 1 184 184 TRP CB C 174 30.800 30.800 29.322 1.478 18547 6988 1 7 . 1 1 184 184 TRP H H 174 8.400 8.400 8.348 0.052 18547 6989 1 7 . 1 1 185 185 ALA N N 175 121.700 121.700 122.535 -0.835 18547 6990 1 7 . 1 1 185 185 ALA HA H 175 3.920 3.920 4.238 -0.318 18547 6991 1 7 . 1 1 185 185 ALA C C 175 179.600 179.600 179.252 0.348 18547 6992 1 7 . 1 1 185 185 ALA CA C 175 55.600 55.600 54.966 0.634 18547 6993 1 7 . 1 1 185 185 ALA CB C 175 17.900 17.900 17.992 -0.092 18547 6994 1 7 . 1 1 185 185 ALA H H 175 8.800 8.800 8.331 0.469 18547 6995 1 7 . 1 1 186 186 ALA N N 176 119.000 119.000 120.984 -1.984 18547 6996 1 7 . 1 1 186 186 ALA HA H 176 4.190 4.190 4.048 0.142 18547 6997 1 7 . 1 1 186 186 ALA C C 176 180.300 180.300 179.227 1.073 18547 6998 1 7 . 1 1 186 186 ALA CA C 176 54.800 54.800 54.887 -0.087 18547 6999 1 7 . 1 1 186 186 ALA CB C 176 17.900 17.900 18.501 -0.601 18547 7000 1 7 . 1 1 186 186 ALA H H 176 7.860 7.860 7.833 0.027 18547 7001 1 7 . 1 1 187 187 LEU N N 177 118.500 118.500 118.865 -0.365 18547 7002 1 7 . 1 1 187 187 LEU HA H 177 4.210 4.210 4.092 0.118 18547 7003 1 7 . 1 1 187 187 LEU C C 177 179.400 179.400 179.686 -0.286 18547 7004 1 7 . 1 1 187 187 LEU CA C 177 57.600 57.600 57.655 -0.055 18547 7005 1 7 . 1 1 187 187 LEU CB C 177 42.700 42.700 41.989 0.711 18547 7006 1 7 . 1 1 187 187 LEU H H 177 7.460 7.460 7.833 -0.373 18547 7007 1 7 . 1 1 188 188 VAL N N 178 118.500 118.500 117.889 0.611 18547 7008 1 7 . 1 1 188 188 VAL HA H 178 3.660 3.660 3.767 -0.107 18547 7009 1 7 . 1 1 188 188 VAL C C 178 177.600 177.600 176.914 0.686 18547 7010 1 7 . 1 1 188 188 VAL CA C 178 66.000 66.000 64.849 1.151 18547 7011 1 7 . 1 1 188 188 VAL CB C 178 32.400 32.400 32.072 0.328 18547 7012 1 7 . 1 1 188 188 VAL H H 178 8.640 8.640 8.147 0.493 18547 7013 1 7 . 1 1 189 189 HIS N N 179 116.000 116.000 117.198 -1.198 18547 7014 1 7 . 1 1 189 189 HIS HA H 179 4.780 4.780 4.578 0.202 18547 7015 1 7 . 1 1 189 189 HIS C C 179 175.300 175.300 175.406 -0.106 18547 7016 1 7 . 1 1 189 189 HIS CA C 179 56.200 56.200 57.380 -1.180 18547 7017 1 7 . 1 1 189 189 HIS CB C 179 28.500 28.500 30.061 -1.561 18547 7018 1 7 . 1 1 189 189 HIS H H 179 8.150 8.150 7.900 0.250 18547 7019 1 7 . 1 1 190 190 SER N N 180 115.000 115.000 113.107 1.893 18547 7020 1 7 . 1 1 190 190 SER HA H 180 4.480 4.480 4.712 -0.232 18547 7021 1 7 . 1 1 190 190 SER C C 180 175.100 175.100 174.255 0.845 18547 7022 1 7 . 1 1 190 190 SER CA C 180 59.500 59.500 57.493 2.007 18547 7023 1 7 . 1 1 190 190 SER CB C 180 64.000 64.000 65.546 -1.546 18547 7024 1 7 . 1 1 190 190 SER H H 180 7.820 7.820 7.673 0.147 18547 7025 1 7 . 1 1 191 191 GLY N N 181 111.100 111.100 106.617 4.483 18547 7026 1 7 . 1 1 191 191 GLY C C 181 173.400 173.400 172.960 0.440 18547 7027 1 7 . 1 1 191 191 GLY CA C 181 45.500 45.500 45.195 0.305 18547 7028 1 7 . 1 1 191 191 GLY H H 181 8.330 8.330 8.334 -0.004 18547 7029 1 8 . 1 1 12 12 ALA N N 2 125.600 125.600 127.053 -1.453 18547 7030 1 8 . 1 1 12 12 ALA HA H 2 4.300 4.300 4.241 0.059 18547 7031 1 8 . 1 1 12 12 ALA C C 2 177.600 177.600 177.416 0.184 18547 7032 1 8 . 1 1 12 12 ALA CA C 2 52.600 52.600 52.803 -0.203 18547 7033 1 8 . 1 1 12 12 ALA CB C 2 19.200 19.200 18.910 0.290 18547 7034 1 8 . 1 1 12 12 ALA H H 2 8.380 8.380 8.701 -0.321 18547 7035 1 8 . 1 1 13 13 SER N N 3 115.000 115.000 112.232 2.768 18547 7036 1 8 . 1 1 13 13 SER HA H 3 4.390 4.390 4.164 0.226 18547 7037 1 8 . 1 1 13 13 SER C C 3 175.100 175.100 174.037 1.063 18547 7038 1 8 . 1 1 13 13 SER CA C 3 58.500 58.500 58.615 -0.115 18547 7039 1 8 . 1 1 13 13 SER CB C 3 63.800 63.800 63.211 0.589 18547 7040 1 8 . 1 1 13 13 SER H H 3 8.250 8.250 7.977 0.273 18547 7041 1 8 . 1 1 14 14 GLY N N 4 110.700 110.700 109.407 1.293 18547 7042 1 8 . 1 1 14 14 GLY C C 4 174.000 174.000 173.025 0.975 18547 7043 1 8 . 1 1 14 14 GLY CA C 4 45.400 45.400 45.348 0.052 18547 7044 1 8 . 1 1 14 14 GLY H H 4 8.390 8.390 8.419 -0.029 18547 7045 1 8 . 1 1 15 15 GLN N N 5 120.100 120.100 119.812 0.288 18547 7046 1 8 . 1 1 15 15 GLN HA H 5 4.310 4.310 4.749 -0.439 18547 7047 1 8 . 1 1 15 15 GLN C C 5 175.500 175.500 174.919 0.581 18547 7048 1 8 . 1 1 15 15 GLN CA C 5 55.600 55.600 55.029 0.571 18547 7049 1 8 . 1 1 15 15 GLN CB C 5 29.700 29.700 27.245 2.455 18547 7050 1 8 . 1 1 15 15 GLN H H 5 8.190 8.190 8.255 -0.065 18547 7051 1 8 . 1 1 16 16 ALA N N 6 126.000 126.000 127.339 -1.339 18547 7052 1 8 . 1 1 16 16 ALA HA H 6 4.360 4.360 4.515 -0.155 18547 7053 1 8 . 1 1 16 16 ALA C C 6 177.300 177.300 175.477 1.823 18547 7054 1 8 . 1 1 16 16 ALA CA C 6 52.300 52.300 51.134 1.166 18547 7055 1 8 . 1 1 16 16 ALA CB C 6 19.200 19.200 22.370 -3.170 18547 7056 1 8 . 1 1 16 16 ALA H H 6 8.400 8.400 7.896 0.504 18547 7057 1 8 . 1 1 17 17 THR N N 7 119.200 119.200 115.412 3.788 18547 7058 1 8 . 1 1 17 17 THR HA H 7 4.370 4.370 4.930 -0.560 18547 7059 1 8 . 1 1 17 17 THR C C 7 173.600 173.600 174.345 -0.745 18547 7060 1 8 . 1 1 17 17 THR CA C 7 63.200 63.200 61.788 1.412 18547 7061 1 8 . 1 1 17 17 THR CB C 7 70.600 70.600 69.866 0.734 18547 7062 1 8 . 1 1 17 17 THR H H 7 8.180 8.180 8.195 -0.015 18547 7063 1 8 . 1 1 18 18 GLU N N 8 127.500 127.500 127.100 0.400 18547 7064 1 8 . 1 1 18 18 GLU HA H 8 4.540 4.540 4.609 -0.069 18547 7065 1 8 . 1 1 18 18 GLU C C 8 174.200 174.200 175.145 -0.945 18547 7066 1 8 . 1 1 18 18 GLU CA C 8 55.100 55.100 55.122 -0.022 18547 7067 1 8 . 1 1 18 18 GLU CB C 8 31.900 31.900 31.039 0.861 18547 7068 1 8 . 1 1 18 18 GLU H H 8 8.810 8.810 8.389 0.421 18547 7069 1 8 . 1 1 19 19 ARG N N 9 122.100 122.100 125.481 -3.381 18547 7070 1 8 . 1 1 19 19 ARG HA H 9 5.060 5.060 4.941 0.119 18547 7071 1 8 . 1 1 19 19 ARG C C 9 175.000 175.000 176.182 -1.182 18547 7072 1 8 . 1 1 19 19 ARG CA C 9 54.800 54.800 56.324 -1.524 18547 7073 1 8 . 1 1 19 19 ARG CB C 9 31.600 31.600 31.201 0.399 18547 7074 1 8 . 1 1 19 19 ARG H H 9 8.070 8.070 8.698 -0.628 18547 7075 1 8 . 1 1 20 20 ALA N N 10 126.300 126.300 122.683 3.617 18547 7076 1 8 . 1 1 20 20 ALA HA H 10 4.640 4.640 4.699 -0.059 18547 7077 1 8 . 1 1 20 20 ALA C C 10 173.800 173.800 174.866 -1.066 18547 7078 1 8 . 1 1 20 20 ALA CA C 10 51.100 51.100 51.838 -0.738 18547 7079 1 8 . 1 1 20 20 ALA CB C 10 22.800 22.800 21.546 1.254 18547 7080 1 8 . 1 1 20 20 ALA H H 10 9.390 9.390 8.463 0.927 18547 7081 1 8 . 1 1 21 21 LEU N N 11 117.500 117.500 119.316 -1.816 18547 7082 1 8 . 1 1 21 21 LEU HA H 11 5.790 5.790 5.386 0.404 18547 7083 1 8 . 1 1 21 21 LEU C C 11 178.100 178.100 176.621 1.479 18547 7084 1 8 . 1 1 21 21 LEU CA C 11 53.100 53.100 53.538 -0.438 18547 7085 1 8 . 1 1 21 21 LEU CB C 11 45.400 45.400 46.460 -1.060 18547 7086 1 8 . 1 1 21 21 LEU H H 11 8.280 8.280 8.321 -0.041 18547 7087 1 8 . 1 1 22 22 GLY N N 12 113.400 113.400 108.369 5.031 18547 7088 1 8 . 1 1 22 22 GLY C C 12 174.800 174.800 171.901 2.899 18547 7089 1 8 . 1 1 22 22 GLY CA C 12 44.500 44.500 45.426 -0.926 18547 7090 1 8 . 1 1 22 22 GLY H H 12 8.830 8.830 8.263 0.567 18547 7091 1 8 . 1 1 23 23 ARG N N 13 119.600 119.600 121.312 -1.712 18547 7092 1 8 . 1 1 23 23 ARG HA H 13 5.040 5.040 4.487 0.553 18547 7093 1 8 . 1 1 23 23 ARG C C 13 174.900 174.900 175.006 -0.106 18547 7094 1 8 . 1 1 23 23 ARG CA C 13 55.800 55.800 55.455 0.346 18547 7095 1 8 . 1 1 23 23 ARG CB C 13 33.600 33.600 31.667 1.933 18547 7096 1 8 . 1 1 23 23 ARG H H 13 8.160 8.160 8.491 -0.331 18547 7097 1 8 . 1 1 24 24 ARG N N 14 121.900 121.900 124.835 -2.935 18547 7098 1 8 . 1 1 24 24 ARG HA H 14 4.530 4.530 4.622 -0.092 18547 7099 1 8 . 1 1 24 24 ARG C C 14 174.000 174.000 174.783 -0.783 18547 7100 1 8 . 1 1 24 24 ARG CA C 14 55.200 55.200 54.813 0.387 18547 7101 1 8 . 1 1 24 24 ARG CB C 14 34.700 34.700 32.709 1.990 18547 7102 1 8 . 1 1 24 24 ARG H H 14 8.780 8.780 8.712 0.068 18547 7103 1 8 . 1 1 25 25 THR N N 15 121.700 121.700 122.318 -0.618 18547 7104 1 8 . 1 1 25 25 THR HA H 15 4.420 4.420 4.462 -0.042 18547 7105 1 8 . 1 1 25 25 THR C C 15 173.700 173.700 174.230 -0.530 18547 7106 1 8 . 1 1 25 25 THR CA C 15 63.600 63.600 63.060 0.540 18547 7107 1 8 . 1 1 25 25 THR CB C 15 68.600 68.600 69.272 -0.673 18547 7108 1 8 . 1 1 25 25 THR H H 15 8.800 8.800 8.517 0.283 18547 7109 1 8 . 1 1 26 26 ILE N N 16 124.200 124.200 120.978 3.222 18547 7110 1 8 . 1 1 26 26 ILE HA H 16 4.940 4.940 4.992 -0.052 18547 7111 1 8 . 1 1 26 26 ILE CA C 16 59.300 59.300 57.467 1.833 18547 7112 1 8 . 1 1 26 26 ILE CB C 16 38.200 38.200 39.086 -0.886 18547 7113 1 8 . 1 1 26 26 ILE H H 16 8.420 8.420 8.524 -0.104 18547 7114 1 8 . 1 1 27 27 PRO HA H 17 4.180 4.180 4.179 0.001 18547 7115 1 8 . 1 1 27 27 PRO C C 17 178.100 178.100 177.419 0.681 18547 7116 1 8 . 1 1 27 27 PRO CA C 17 67.200 67.200 65.548 1.652 18547 7117 1 8 . 1 1 27 27 PRO CB C 17 30.700 30.700 31.305 -0.605 18547 7118 1 8 . 1 1 28 28 ALA N N 18 114.800 114.800 118.652 -3.852 18547 7119 1 8 . 1 1 28 28 ALA HA H 18 4.270 4.270 4.251 0.019 18547 7120 1 8 . 1 1 28 28 ALA C C 18 177.000 177.000 177.633 -0.633 18547 7121 1 8 . 1 1 28 28 ALA CA C 18 53.100 53.100 53.075 0.025 18547 7122 1 8 . 1 1 28 28 ALA CB C 18 19.500 19.500 19.368 0.132 18547 7123 1 8 . 1 1 28 28 ALA H H 18 8.060 8.060 8.247 -0.187 18547 7124 1 8 . 1 1 29 29 GLY N N 19 107.100 107.100 105.496 1.604 18547 7125 1 8 . 1 1 29 29 GLY C C 19 171.900 171.900 171.988 -0.088 18547 7126 1 8 . 1 1 29 29 GLY CA C 19 44.000 44.000 44.744 -0.744 18547 7127 1 8 . 1 1 29 29 GLY H H 19 8.140 8.140 7.424 0.716 18547 7128 1 8 . 1 1 30 30 GLU N N 20 120.000 120.000 121.037 -1.037 18547 7129 1 8 . 1 1 30 30 GLU HA H 20 4.320 4.320 4.373 -0.053 18547 7130 1 8 . 1 1 30 30 GLU C C 20 175.600 175.600 175.083 0.517 18547 7131 1 8 . 1 1 30 30 GLU CA C 20 57.300 57.300 56.553 0.747 18547 7132 1 8 . 1 1 30 30 GLU CB C 20 29.100 29.100 30.427 -1.327 18547 7133 1 8 . 1 1 30 30 GLU H H 20 8.380 8.380 8.521 -0.141 18547 7134 1 8 . 1 1 31 31 ALA N N 21 129.500 129.500 125.689 3.811 18547 7135 1 8 . 1 1 31 31 ALA HA H 21 4.610 4.610 4.706 -0.096 18547 7136 1 8 . 1 1 31 31 ALA C C 21 177.200 177.200 175.236 1.964 18547 7137 1 8 . 1 1 31 31 ALA CA C 21 51.200 51.200 50.821 0.379 18547 7138 1 8 . 1 1 31 31 ALA CB C 21 22.500 22.500 22.892 -0.392 18547 7139 1 8 . 1 1 31 31 ALA H H 21 8.660 8.660 8.232 0.428 18547 7140 1 8 . 1 1 32 32 ARG N N 22 120.400 120.400 118.830 1.570 18547 7141 1 8 . 1 1 32 32 ARG HA H 22 4.950 4.950 4.711 0.239 18547 7142 1 8 . 1 1 32 32 ARG C C 22 173.400 173.400 174.433 -1.033 18547 7143 1 8 . 1 1 32 32 ARG CA C 22 55.500 55.500 54.797 0.703 18547 7144 1 8 . 1 1 32 32 ARG CB C 22 32.500 32.500 34.217 -1.717 18547 7145 1 8 . 1 1 32 32 ARG H H 22 8.090 8.090 8.182 -0.092 18547 7146 1 8 . 1 1 33 33 SER N N 23 113.800 113.800 116.279 -2.479 18547 7147 1 8 . 1 1 33 33 SER HA H 23 5.560 5.560 5.629 -0.069 18547 7148 1 8 . 1 1 33 33 SER C C 23 174.500 174.500 173.661 0.839 18547 7149 1 8 . 1 1 33 33 SER CA C 23 55.600 55.600 56.825 -1.225 18547 7150 1 8 . 1 1 33 33 SER CB C 23 67.300 67.300 66.673 0.627 18547 7151 1 8 . 1 1 33 33 SER H H 23 8.080 8.080 8.584 -0.504 18547 7152 1 8 . 1 1 34 34 ILE N N 24 112.700 112.700 119.426 -6.726 18547 7153 1 8 . 1 1 34 34 ILE HA H 24 4.950 4.950 4.617 0.333 18547 7154 1 8 . 1 1 34 34 ILE C C 24 175.400 175.400 174.612 0.788 18547 7155 1 8 . 1 1 34 34 ILE CA C 24 58.300 58.300 60.364 -2.064 18547 7156 1 8 . 1 1 34 34 ILE CB C 24 39.900 39.900 38.940 0.961 18547 7157 1 8 . 1 1 34 34 ILE H H 24 7.980 7.980 8.083 -0.103 18547 7158 1 8 . 1 1 35 35 ILE N N 25 121.800 121.800 126.410 -4.610 18547 7159 1 8 . 1 1 35 35 ILE HA H 25 4.960 4.960 5.111 -0.151 18547 7160 1 8 . 1 1 35 35 ILE C C 25 174.800 174.800 175.072 -0.272 18547 7161 1 8 . 1 1 35 35 ILE CA C 25 60.700 60.700 59.481 1.218 18547 7162 1 8 . 1 1 35 35 ILE CB C 25 41.300 41.300 41.313 -0.013 18547 7163 1 8 . 1 1 35 35 ILE H H 25 8.960 8.960 8.518 0.442 18547 7164 1 8 . 1 1 36 36 ILE N N 26 127.900 127.900 127.799 0.101 18547 7165 1 8 . 1 1 36 36 ILE HA H 26 4.770 4.770 4.551 0.219 18547 7166 1 8 . 1 1 36 36 ILE C C 26 175.000 175.000 174.706 0.294 18547 7167 1 8 . 1 1 36 36 ILE CA C 26 59.900 59.900 60.468 -0.568 18547 7168 1 8 . 1 1 36 36 ILE CB C 26 42.100 42.100 38.336 3.764 18547 7169 1 8 . 1 1 36 36 ILE H H 26 9.210 9.210 8.824 0.386 18547 7170 1 8 . 1 1 37 37 ARG N N 27 124.100 124.100 127.334 -3.234 18547 7171 1 8 . 1 1 37 37 ARG HA H 27 5.850 5.850 5.532 0.318 18547 7172 1 8 . 1 1 37 37 ARG C C 27 176.200 176.200 175.794 0.406 18547 7173 1 8 . 1 1 37 37 ARG CA C 27 54.100 54.100 54.616 -0.516 18547 7174 1 8 . 1 1 37 37 ARG CB C 27 32.900 32.900 32.559 0.341 18547 7175 1 8 . 1 1 37 37 ARG H H 27 8.670 8.670 8.664 0.006 18547 7176 1 8 . 1 1 38 38 GLN N N 28 122.900 122.900 120.484 2.416 18547 7177 1 8 . 1 1 38 38 GLN HA H 28 4.710 4.710 4.968 -0.258 18547 7178 1 8 . 1 1 38 38 GLN C C 28 173.200 173.200 173.715 -0.515 18547 7179 1 8 . 1 1 38 38 GLN CA C 28 54.400 54.400 55.554 -1.154 18547 7180 1 8 . 1 1 38 38 GLN CB C 28 35.200 35.200 33.072 2.128 18547 7181 1 8 . 1 1 38 38 GLN H H 28 9.310 9.310 8.847 0.463 18547 7182 1 8 . 1 1 39 39 ARG N N 29 121.400 121.400 127.236 -5.836 18547 7183 1 8 . 1 1 39 39 ARG HA H 29 5.260 5.260 4.852 0.408 18547 7184 1 8 . 1 1 39 39 ARG C C 29 175.400 175.400 175.800 -0.400 18547 7185 1 8 . 1 1 39 39 ARG CA C 29 55.100 55.100 54.868 0.232 18547 7186 1 8 . 1 1 39 39 ARG CB C 29 32.500 32.500 29.976 2.524 18547 7187 1 8 . 1 1 39 39 ARG H H 29 8.510 8.510 8.197 0.313 18547 7188 1 8 . 1 1 40 40 TYR N N 30 120.000 120.000 124.400 -4.400 18547 7189 1 8 . 1 1 40 40 TYR HA H 30 4.600 4.600 4.409 0.191 18547 7190 1 8 . 1 1 40 40 TYR C C 30 175.600 175.600 176.325 -0.725 18547 7191 1 8 . 1 1 40 40 TYR CA C 30 56.900 56.900 58.715 -1.815 18547 7192 1 8 . 1 1 40 40 TYR CB C 30 42.700 42.700 39.998 2.702 18547 7193 1 8 . 1 1 40 40 TYR H H 30 9.140 9.140 8.737 0.403 18547 7194 1 8 . 1 1 41 41 ASP N N 31 126.400 126.400 121.498 4.902 18547 7195 1 8 . 1 1 41 41 ASP HA H 31 4.880 4.880 4.753 0.127 18547 7196 1 8 . 1 1 41 41 ASP C C 31 174.500 174.500 174.740 -0.240 18547 7197 1 8 . 1 1 41 41 ASP CA C 31 53.200 53.200 53.554 -0.354 18547 7198 1 8 . 1 1 41 41 ASP CB C 31 39.200 39.200 40.867 -1.667 18547 7199 1 8 . 1 1 41 41 ASP H H 31 9.140 9.140 8.743 0.397 18547 7200 1 8 . 1 1 42 42 ALA N N 32 123.100 123.100 121.614 1.486 18547 7201 1 8 . 1 1 42 42 ALA HA H 32 4.690 4.690 4.713 -0.023 18547 7202 1 8 . 1 1 42 42 ALA CA C 32 50.100 50.100 49.020 1.080 18547 7203 1 8 . 1 1 42 42 ALA CB C 32 20.200 20.200 20.829 -0.629 18547 7204 1 8 . 1 1 42 42 ALA H H 32 7.770 7.770 7.447 0.323 18547 7205 1 8 . 1 1 43 43 PRO HA H 33 4.650 4.650 4.642 0.008 18547 7206 1 8 . 1 1 43 43 PRO C C 33 178.100 178.100 177.949 0.151 18547 7207 1 8 . 1 1 43 43 PRO CA C 33 62.000 62.000 62.431 -0.431 18547 7208 1 8 . 1 1 43 43 PRO CB C 33 33.000 33.000 32.999 0.001 18547 7209 1 8 . 1 1 44 44 VAL N N 34 123.500 123.500 120.113 3.387 18547 7210 1 8 . 1 1 44 44 VAL HA H 34 3.960 3.960 3.607 0.353 18547 7211 1 8 . 1 1 44 44 VAL C C 34 177.500 177.500 177.503 -0.003 18547 7212 1 8 . 1 1 44 44 VAL CA C 34 66.000 66.000 67.341 -1.341 18547 7213 1 8 . 1 1 44 44 VAL CB C 34 32.000 32.000 31.386 0.615 18547 7214 1 8 . 1 1 44 44 VAL H H 34 8.570 8.570 8.046 0.524 18547 7215 1 8 . 1 1 45 45 ASP N N 35 116.200 116.200 117.541 -1.341 18547 7216 1 8 . 1 1 45 45 ASP HA H 35 4.290 4.290 4.255 0.035 18547 7217 1 8 . 1 1 45 45 ASP C C 35 178.800 178.800 178.118 0.682 18547 7218 1 8 . 1 1 45 45 ASP CA C 35 57.500 57.500 57.328 0.172 18547 7219 1 8 . 1 1 45 45 ASP CB C 35 40.400 40.400 40.050 0.350 18547 7220 1 8 . 1 1 45 45 ASP H H 35 8.520 8.520 8.418 0.102 18547 7221 1 8 . 1 1 46 46 GLU N N 36 120.100 120.100 119.925 0.175 18547 7222 1 8 . 1 1 46 46 GLU HA H 36 4.260 4.260 4.200 0.060 18547 7223 1 8 . 1 1 46 46 GLU C C 36 179.000 179.000 178.787 0.213 18547 7224 1 8 . 1 1 46 46 GLU CA C 36 58.400 58.400 58.423 -0.023 18547 7225 1 8 . 1 1 46 46 GLU CB C 36 29.700 29.700 29.573 0.127 18547 7226 1 8 . 1 1 46 46 GLU H H 36 7.360 7.360 7.592 -0.232 18547 7227 1 8 . 1 1 47 47 VAL N N 37 121.800 121.800 119.925 1.875 18547 7228 1 8 . 1 1 47 47 VAL HA H 37 3.370 3.370 3.698 -0.328 18547 7229 1 8 . 1 1 47 47 VAL C C 37 177.100 177.100 177.750 -0.650 18547 7230 1 8 . 1 1 47 47 VAL CA C 37 66.900 66.900 65.909 0.991 18547 7231 1 8 . 1 1 47 47 VAL CB C 37 31.000 31.000 31.498 -0.498 18547 7232 1 8 . 1 1 47 47 VAL H H 37 7.680 7.680 7.821 -0.141 18547 7233 1 8 . 1 1 48 48 TRP N N 38 119.800 119.800 122.338 -2.538 18547 7234 1 8 . 1 1 48 48 TRP HA H 38 3.990 3.990 4.421 -0.431 18547 7235 1 8 . 1 1 48 48 TRP C C 38 180.700 180.700 177.234 3.466 18547 7236 1 8 . 1 1 48 48 TRP CA C 38 60.900 60.900 60.395 0.505 18547 7237 1 8 . 1 1 48 48 TRP CB C 38 29.300 29.300 29.893 -0.593 18547 7238 1 8 . 1 1 48 48 TRP H H 38 9.160 9.160 8.901 0.259 18547 7239 1 8 . 1 1 49 49 SER N N 39 116.100 116.100 116.683 -0.583 18547 7240 1 8 . 1 1 49 49 SER HA H 39 4.010 4.010 4.317 -0.307 18547 7241 1 8 . 1 1 49 49 SER C C 39 175.700 175.700 176.674 -0.974 18547 7242 1 8 . 1 1 49 49 SER CA C 39 62.700 62.700 61.756 0.944 18547 7243 1 8 . 1 1 49 49 SER CB C 39 62.700 62.700 62.474 0.226 18547 7244 1 8 . 1 1 49 49 SER H H 39 8.230 8.230 7.725 0.505 18547 7245 1 8 . 1 1 50 50 ALA N N 40 122.300 122.300 124.129 -1.829 18547 7246 1 8 . 1 1 50 50 ALA HA H 40 4.020 4.020 4.292 -0.272 18547 7247 1 8 . 1 1 50 50 ALA C C 40 176.700 176.700 179.726 -3.026 18547 7248 1 8 . 1 1 50 50 ALA CA C 40 55.200 55.200 55.015 0.185 18547 7249 1 8 . 1 1 50 50 ALA CB C 40 18.800 18.800 18.210 0.590 18547 7250 1 8 . 1 1 50 50 ALA H H 40 7.770 7.770 7.733 0.037 18547 7251 1 8 . 1 1 51 51 CYS N N 41 109.400 109.400 116.739 -7.339 18547 7252 1 8 . 1 1 51 51 CYS HA H 41 4.510 4.510 4.266 0.244 18547 7253 1 8 . 1 1 51 51 CYS C C 41 172.200 172.200 176.145 -3.945 18547 7254 1 8 . 1 1 51 51 CYS CA C 41 61.100 61.100 62.066 -0.966 18547 7255 1 8 . 1 1 51 51 CYS CB C 41 29.800 29.800 26.869 2.931 18547 7256 1 8 . 1 1 51 51 CYS H H 41 7.080 7.080 8.220 -1.140 18547 7257 1 8 . 1 1 52 52 THR N N 42 100.100 100.100 112.556 -12.456 18547 7258 1 8 . 1 1 52 52 THR HA H 42 4.240 4.240 4.119 0.121 18547 7259 1 8 . 1 1 52 52 THR C C 42 173.500 173.500 174.596 -1.096 18547 7260 1 8 . 1 1 52 52 THR CA C 42 62.200 62.200 63.320 -1.120 18547 7261 1 8 . 1 1 52 52 THR CB C 42 71.800 71.800 69.397 2.404 18547 7262 1 8 . 1 1 52 52 THR H H 42 6.800 6.800 7.393 -0.593 18547 7263 1 8 . 1 1 53 53 ASP N N 43 123.000 123.000 123.328 -0.328 18547 7264 1 8 . 1 1 53 53 ASP HA H 43 5.080 5.080 4.905 0.175 18547 7265 1 8 . 1 1 53 53 ASP CA C 43 50.600 50.600 51.363 -0.763 18547 7266 1 8 . 1 1 53 53 ASP CB C 43 42.000 42.000 42.602 -0.602 18547 7267 1 8 . 1 1 53 53 ASP H H 43 8.040 8.040 7.817 0.223 18547 7268 1 8 . 1 1 54 54 PRO HA H 44 3.960 3.960 4.230 -0.270 18547 7269 1 8 . 1 1 54 54 PRO C C 44 176.300 176.300 177.524 -1.224 18547 7270 1 8 . 1 1 54 54 PRO CA C 44 65.900 65.900 64.615 1.285 18547 7271 1 8 . 1 1 54 54 PRO CB C 44 32.700 32.700 32.203 0.497 18547 7272 1 8 . 1 1 55 55 ASN N N 45 112.700 112.700 116.578 -3.878 18547 7273 1 8 . 1 1 55 55 ASN HA H 45 4.520 4.520 4.495 0.025 18547 7274 1 8 . 1 1 55 55 ASN C C 45 175.900 175.900 176.553 -0.653 18547 7275 1 8 . 1 1 55 55 ASN CA C 45 55.100 55.100 56.174 -1.074 18547 7276 1 8 . 1 1 55 55 ASN CB C 45 38.900 38.900 38.309 0.591 18547 7277 1 8 . 1 1 55 55 ASN H H 45 8.160 8.160 7.892 0.268 18547 7278 1 8 . 1 1 56 56 ARG N N 46 117.700 117.700 118.682 -0.982 18547 7279 1 8 . 1 1 56 56 ARG HA H 46 4.250 4.250 4.384 -0.134 18547 7280 1 8 . 1 1 56 56 ARG C C 46 177.100 177.100 178.786 -1.686 18547 7281 1 8 . 1 1 56 56 ARG CA C 46 58.400 58.400 56.838 1.562 18547 7282 1 8 . 1 1 56 56 ARG CB C 46 31.800 31.800 29.966 1.834 18547 7283 1 8 . 1 1 56 56 ARG H H 46 7.940 7.940 7.784 0.156 18547 7284 1 8 . 1 1 57 57 ILE N N 47 120.100 120.100 120.719 -0.619 18547 7285 1 8 . 1 1 57 57 ILE HA H 47 3.420 3.420 3.532 -0.112 18547 7286 1 8 . 1 1 57 57 ILE C C 47 177.400 177.400 176.528 0.872 18547 7287 1 8 . 1 1 57 57 ILE CA C 47 64.400 64.400 64.832 -0.432 18547 7288 1 8 . 1 1 57 57 ILE CB C 47 39.500 39.500 37.736 1.764 18547 7289 1 8 . 1 1 57 57 ILE H H 47 8.610 8.610 7.883 0.727 18547 7290 1 8 . 1 1 58 58 ASN N N 48 112.100 112.100 115.568 -3.468 18547 7291 1 8 . 1 1 58 58 ASN HA H 48 3.780 3.780 4.491 -0.711 18547 7292 1 8 . 1 1 58 58 ASN C C 48 175.300 175.300 175.959 -0.659 18547 7293 1 8 . 1 1 58 58 ASN CA C 48 54.400 54.400 54.304 0.096 18547 7294 1 8 . 1 1 58 58 ASN CB C 48 38.200 38.200 37.770 0.430 18547 7295 1 8 . 1 1 58 58 ASN H H 48 7.440 7.440 7.847 -0.407 18547 7296 1 8 . 1 1 59 59 ARG N N 49 115.600 115.600 118.878 -3.278 18547 7297 1 8 . 1 1 59 59 ARG HA H 49 4.120 4.120 4.184 -0.064 18547 7298 1 8 . 1 1 59 59 ARG C C 49 174.700 174.700 176.120 -1.420 18547 7299 1 8 . 1 1 59 59 ARG CA C 49 55.900 55.900 57.681 -1.782 18547 7300 1 8 . 1 1 59 59 ARG CB C 49 29.900 29.900 30.401 -0.501 18547 7301 1 8 . 1 1 59 59 ARG H H 49 7.370 7.370 7.218 0.152 18547 7302 1 8 . 1 1 60 60 TRP N N 50 112.500 112.500 114.660 -2.160 18547 7303 1 8 . 1 1 60 60 TRP HA H 50 4.860 4.860 3.594 1.266 18547 7304 1 8 . 1 1 60 60 TRP C C 50 173.400 173.400 174.477 -1.077 18547 7305 1 8 . 1 1 60 60 TRP CA C 50 55.800 55.800 55.533 0.266 18547 7306 1 8 . 1 1 60 60 TRP CB C 50 31.500 31.500 30.816 0.684 18547 7307 1 8 . 1 1 60 60 TRP H H 50 6.860 6.860 6.977 -0.117 18547 7308 1 8 . 1 1 61 61 PHE N N 51 126.400 126.400 118.633 7.767 18547 7309 1 8 . 1 1 61 61 PHE HA H 51 4.690 4.690 4.669 0.021 18547 7310 1 8 . 1 1 61 61 PHE C C 51 173.000 173.000 173.904 -0.904 18547 7311 1 8 . 1 1 61 61 PHE CA C 51 55.000 55.000 55.493 -0.493 18547 7312 1 8 . 1 1 61 61 PHE CB C 51 37.600 37.600 41.716 -4.116 18547 7313 1 8 . 1 1 61 61 PHE H H 51 7.830 7.830 7.537 0.293 18547 7314 1 8 . 1 1 62 62 ILE N N 52 126.800 126.800 120.751 6.049 18547 7315 1 8 . 1 1 62 62 ILE HA H 52 3.760 3.760 4.007 -0.247 18547 7316 1 8 . 1 1 62 62 ILE C C 52 172.600 172.600 174.734 -2.134 18547 7317 1 8 . 1 1 62 62 ILE CA C 52 59.900 59.900 60.003 -0.103 18547 7318 1 8 . 1 1 62 62 ILE CB C 52 41.600 41.600 38.614 2.986 18547 7319 1 8 . 1 1 62 62 ILE H H 52 6.010 6.010 6.879 -0.869 18547 7320 1 8 . 1 1 63 63 GLU N N 53 124.400 124.400 126.421 -2.021 18547 7321 1 8 . 1 1 63 63 GLU HA H 53 3.850 3.850 4.232 -0.382 18547 7322 1 8 . 1 1 63 63 GLU CA C 53 54.800 54.800 54.221 0.579 18547 7323 1 8 . 1 1 63 63 GLU CB C 53 31.700 31.700 30.121 1.579 18547 7324 1 8 . 1 1 63 63 GLU H H 53 8.280 8.280 8.361 -0.081 18547 7325 1 8 . 1 1 64 64 PRO HA H 54 4.920 4.920 5.034 -0.114 18547 7326 1 8 . 1 1 64 64 PRO C C 54 175.500 175.500 176.259 -0.759 18547 7327 1 8 . 1 1 64 64 PRO CA C 54 62.000 62.000 61.688 0.312 18547 7328 1 8 . 1 1 64 64 PRO CB C 54 31.800 31.800 33.093 -1.293 18547 7329 1 8 . 1 1 65 65 LYS N N 55 120.200 120.200 121.886 -1.686 18547 7330 1 8 . 1 1 65 65 LYS HA H 55 4.780 4.780 4.698 0.082 18547 7331 1 8 . 1 1 65 65 LYS C C 55 176.000 176.000 175.472 0.528 18547 7332 1 8 . 1 1 65 65 LYS CA C 55 54.200 54.200 55.320 -1.120 18547 7333 1 8 . 1 1 65 65 LYS CB C 55 35.300 35.300 35.420 -0.120 18547 7334 1 8 . 1 1 65 65 LYS H H 55 8.370 8.370 8.410 -0.040 18547 7335 1 8 . 1 1 66 66 GLY N N 56 109.400 109.400 111.351 -1.951 18547 7336 1 8 . 1 1 66 66 GLY C C 56 171.400 171.400 173.453 -2.053 18547 7337 1 8 . 1 1 66 66 GLY CA C 56 45.400 45.400 45.162 0.238 18547 7338 1 8 . 1 1 66 66 GLY H H 56 8.640 8.640 8.069 0.571 18547 7339 1 8 . 1 1 67 67 ASP N N 57 123.800 123.800 120.683 3.117 18547 7340 1 8 . 1 1 67 67 ASP HA H 57 4.900 4.900 4.571 0.329 18547 7341 1 8 . 1 1 67 67 ASP C C 57 175.600 175.600 177.747 -2.147 18547 7342 1 8 . 1 1 67 67 ASP CA C 57 52.400 52.400 55.784 -3.384 18547 7343 1 8 . 1 1 67 67 ASP CB C 57 40.700 40.700 41.569 -0.869 18547 7344 1 8 . 1 1 67 67 ASP H H 57 7.790 7.790 8.195 -0.405 18547 7345 1 8 . 1 1 68 68 LEU N N 58 122.800 122.800 115.856 6.944 18547 7346 1 8 . 1 1 68 68 LEU HA H 58 4.270 4.270 3.885 0.385 18547 7347 1 8 . 1 1 68 68 LEU C C 58 173.700 173.700 175.559 -1.859 18547 7348 1 8 . 1 1 68 68 LEU CA C 58 54.500 54.500 55.741 -1.241 18547 7349 1 8 . 1 1 68 68 LEU CB C 58 38.300 38.300 40.101 -1.801 18547 7350 1 8 . 1 1 68 68 LEU H H 58 8.330 8.330 7.969 0.361 18547 7351 1 8 . 1 1 69 69 ARG N N 59 121.800 121.800 117.611 4.189 18547 7352 1 8 . 1 1 69 69 ARG HA H 59 4.710 4.710 4.644 0.066 18547 7353 1 8 . 1 1 69 69 ARG CA C 59 54.100 54.100 53.579 0.521 18547 7354 1 8 . 1 1 69 69 ARG CB C 59 31.800 31.800 32.843 -1.043 18547 7355 1 8 . 1 1 69 69 ARG H H 59 8.120 8.120 7.742 0.378 18547 7356 1 8 . 1 1 70 70 GLU N N 60 122.800 122.800 122.595 0.205 18547 7357 1 8 . 1 1 70 70 GLU HA H 60 3.870 3.870 3.992 -0.122 18547 7358 1 8 . 1 1 70 70 GLU C C 60 177.200 177.200 177.382 -0.182 18547 7359 1 8 . 1 1 70 70 GLU CA C 60 60.000 60.000 57.962 2.038 18547 7360 1 8 . 1 1 70 70 GLU CB C 60 30.200 30.200 29.058 1.142 18547 7361 1 8 . 1 1 70 70 GLU H H 60 9.130 9.130 8.940 0.190 18547 7362 1 8 . 1 1 71 71 GLY N N 61 117.100 117.100 113.251 3.849 18547 7363 1 8 . 1 1 71 71 GLY C C 61 174.900 174.900 174.142 0.758 18547 7364 1 8 . 1 1 71 71 GLY CA C 61 45.600 45.600 44.869 0.731 18547 7365 1 8 . 1 1 71 71 GLY H H 61 8.710 8.710 8.779 -0.069 18547 7366 1 8 . 1 1 72 72 GLY N N 62 110.300 110.300 108.674 1.626 18547 7367 1 8 . 1 1 72 72 GLY C C 62 174.200 174.200 172.181 2.019 18547 7368 1 8 . 1 1 72 72 GLY CA C 62 43.400 43.400 43.495 -0.095 18547 7369 1 8 . 1 1 72 72 GLY H H 62 8.760 8.760 8.259 0.501 18547 7370 1 8 . 1 1 73 73 ASN N N 63 117.800 117.800 116.138 1.662 18547 7371 1 8 . 1 1 73 73 ASN HA H 63 5.490 5.490 5.471 0.019 18547 7372 1 8 . 1 1 73 73 ASN C C 63 171.400 171.400 173.518 -2.118 18547 7373 1 8 . 1 1 73 73 ASN CA C 63 52.900 52.900 52.145 0.755 18547 7374 1 8 . 1 1 73 73 ASN CB C 63 41.500 41.500 42.516 -1.016 18547 7375 1 8 . 1 1 73 73 ASN H H 63 8.890 8.890 8.530 0.360 18547 7376 1 8 . 1 1 74 74 PHE N N 64 113.500 113.500 113.682 -0.182 18547 7377 1 8 . 1 1 74 74 PHE HA H 64 5.500 5.500 5.353 0.147 18547 7378 1 8 . 1 1 74 74 PHE C C 64 173.200 173.200 173.207 -0.007 18547 7379 1 8 . 1 1 74 74 PHE CA C 64 55.900 55.900 55.862 0.038 18547 7380 1 8 . 1 1 74 74 PHE CB C 64 44.600 44.600 42.818 1.782 18547 7381 1 8 . 1 1 74 74 PHE H H 64 8.700 8.700 8.637 0.063 18547 7382 1 8 . 1 1 75 75 ALA N N 65 122.200 122.200 122.859 -0.659 18547 7383 1 8 . 1 1 75 75 ALA HA H 65 4.350 4.350 4.447 -0.097 18547 7384 1 8 . 1 1 75 75 ALA C C 65 176.000 176.000 175.550 0.450 18547 7385 1 8 . 1 1 75 75 ALA CA C 65 52.500 52.500 51.448 1.052 18547 7386 1 8 . 1 1 75 75 ALA CB C 65 21.800 21.800 20.715 1.085 18547 7387 1 8 . 1 1 75 75 ALA H H 65 8.690 8.690 8.519 0.171 18547 7388 1 8 . 1 1 76 76 LEU N N 66 123.800 123.800 125.572 -1.772 18547 7389 1 8 . 1 1 76 76 LEU HA H 66 4.520 4.520 4.457 0.063 18547 7390 1 8 . 1 1 76 76 LEU C C 66 175.800 175.800 176.477 -0.677 18547 7391 1 8 . 1 1 76 76 LEU CA C 66 52.500 52.500 54.001 -1.501 18547 7392 1 8 . 1 1 76 76 LEU CB C 66 42.400 42.400 42.716 -0.316 18547 7393 1 8 . 1 1 76 76 LEU H H 66 8.350 8.350 8.350 -0.000 18547 7394 1 8 . 1 1 77 77 GLN N N 67 127.400 127.400 124.495 2.905 18547 7395 1 8 . 1 1 77 77 GLN HA H 67 3.900 3.900 4.092 -0.192 18547 7396 1 8 . 1 1 77 77 GLN C C 67 176.600 176.600 176.450 0.150 18547 7397 1 8 . 1 1 77 77 GLN CA C 67 57.800 57.800 56.481 1.319 18547 7398 1 8 . 1 1 77 77 GLN CB C 67 28.000 28.000 28.942 -0.942 18547 7399 1 8 . 1 1 77 77 GLN H H 67 8.590 8.590 7.805 0.785 18547 7400 1 8 . 1 1 78 78 GLY N N 68 114.800 114.800 115.470 -0.670 18547 7401 1 8 . 1 1 78 78 GLY C C 68 173.700 173.700 173.164 0.536 18547 7402 1 8 . 1 1 78 78 GLY CA C 68 45.700 45.700 45.180 0.520 18547 7403 1 8 . 1 1 78 78 GLY H H 68 8.920 8.920 8.752 0.168 18547 7404 1 8 . 1 1 79 79 ASN N N 69 124.000 124.000 116.794 7.206 18547 7405 1 8 . 1 1 79 79 ASN HA H 69 4.600 4.600 4.678 -0.078 18547 7406 1 8 . 1 1 79 79 ASN C C 69 173.300 173.300 172.423 0.877 18547 7407 1 8 . 1 1 79 79 ASN CA C 69 52.900 52.900 54.089 -1.189 18547 7408 1 8 . 1 1 79 79 ASN CB C 69 41.600 41.600 39.274 2.326 18547 7409 1 8 . 1 1 79 79 ASN H H 69 8.360 8.360 8.275 0.085 18547 7410 1 8 . 1 1 80 80 ALA N N 70 127.200 127.200 121.116 6.084 18547 7411 1 8 . 1 1 80 80 ALA HA H 70 4.170 4.170 4.627 -0.457 18547 7412 1 8 . 1 1 80 80 ALA C C 70 174.500 174.500 174.618 -0.118 18547 7413 1 8 . 1 1 80 80 ALA CA C 70 52.500 52.500 51.204 1.296 18547 7414 1 8 . 1 1 80 80 ALA CB C 70 18.600 18.600 21.791 -3.191 18547 7415 1 8 . 1 1 80 80 ALA H H 70 8.930 8.930 7.746 1.184 18547 7416 1 8 . 1 1 81 81 SER N N 71 111.000 111.000 114.493 -3.493 18547 7417 1 8 . 1 1 81 81 SER HA H 71 4.170 4.170 4.922 -0.752 18547 7418 1 8 . 1 1 81 81 SER C C 71 170.900 170.900 173.375 -2.475 18547 7419 1 8 . 1 1 81 81 SER CA C 71 56.300 56.300 56.882 -0.582 18547 7420 1 8 . 1 1 81 81 SER CB C 71 66.600 66.600 66.377 0.223 18547 7421 1 8 . 1 1 81 81 SER H H 71 7.980 7.980 8.054 -0.074 18547 7422 1 8 . 1 1 82 82 GLY N N 72 102.700 102.700 109.465 -6.765 18547 7423 1 8 . 1 1 82 82 GLY C C 72 171.700 171.700 171.267 0.433 18547 7424 1 8 . 1 1 82 82 GLY CA C 72 46.200 46.200 44.623 1.577 18547 7425 1 8 . 1 1 82 82 GLY H H 72 6.940 6.940 7.562 -0.622 18547 7426 1 8 . 1 1 83 83 ASP N N 73 117.900 117.900 118.498 -0.598 18547 7427 1 8 . 1 1 83 83 ASP HA H 73 5.430 5.430 5.425 0.005 18547 7428 1 8 . 1 1 83 83 ASP C C 73 176.100 176.100 175.741 0.359 18547 7429 1 8 . 1 1 83 83 ASP CA C 73 52.700 52.700 53.360 -0.660 18547 7430 1 8 . 1 1 83 83 ASP CB C 73 43.600 43.600 44.955 -1.355 18547 7431 1 8 . 1 1 83 83 ASP H H 73 8.770 8.770 7.911 0.859 18547 7432 1 8 . 1 1 84 84 ILE N N 74 120.200 120.200 121.219 -1.019 18547 7433 1 8 . 1 1 84 84 ILE HA H 74 4.530 4.530 4.421 0.109 18547 7434 1 8 . 1 1 84 84 ILE C C 74 175.600 175.600 176.496 -0.896 18547 7435 1 8 . 1 1 84 84 ILE CA C 74 61.700 61.700 59.144 2.557 18547 7436 1 8 . 1 1 84 84 ILE CB C 74 36.700 36.700 36.076 0.624 18547 7437 1 8 . 1 1 84 84 ILE H H 74 8.060 8.060 8.539 -0.479 18547 7438 1 8 . 1 1 85 85 LEU N N 75 130.400 130.400 130.135 0.265 18547 7439 1 8 . 1 1 85 85 LEU HA H 75 4.330 4.330 4.322 0.008 18547 7440 1 8 . 1 1 85 85 LEU C C 75 178.100 178.100 177.008 1.092 18547 7441 1 8 . 1 1 85 85 LEU CA C 75 57.000 57.000 57.324 -0.324 18547 7442 1 8 . 1 1 85 85 LEU CB C 75 42.000 42.000 42.487 -0.487 18547 7443 1 8 . 1 1 85 85 LEU H H 75 8.710 8.710 8.570 0.140 18547 7444 1 8 . 1 1 86 86 ARG N N 76 115.700 115.700 113.960 1.740 18547 7445 1 8 . 1 1 86 86 ARG HA H 76 4.840 4.840 4.862 -0.022 18547 7446 1 8 . 1 1 86 86 ARG C C 76 174.900 174.900 173.857 1.043 18547 7447 1 8 . 1 1 86 86 ARG CA C 76 54.700 54.700 54.345 0.355 18547 7448 1 8 . 1 1 86 86 ARG CB C 76 33.900 33.900 32.727 1.173 18547 7449 1 8 . 1 1 86 86 ARG H H 76 8.130 8.130 7.903 0.227 18547 7450 1 8 . 1 1 87 87 CYS N N 77 127.100 127.100 118.220 8.880 18547 7451 1 8 . 1 1 87 87 CYS HA H 77 5.130 5.130 4.964 0.166 18547 7452 1 8 . 1 1 87 87 CYS C C 77 171.700 171.700 174.055 -2.355 18547 7453 1 8 . 1 1 87 87 CYS CA C 77 54.600 54.600 57.394 -2.794 18547 7454 1 8 . 1 1 87 87 CYS CB C 77 33.000 33.000 30.687 2.313 18547 7455 1 8 . 1 1 87 87 CYS H H 77 10.630 10.630 8.859 1.771 18547 7456 1 8 . 1 1 88 88 GLU N N 78 128.200 128.200 124.001 4.199 18547 7457 1 8 . 1 1 88 88 GLU HA H 78 4.950 4.950 4.786 0.164 18547 7458 1 8 . 1 1 88 88 GLU CA C 78 52.100 52.100 53.190 -1.089 18547 7459 1 8 . 1 1 88 88 GLU CB C 78 30.500 30.500 30.206 0.294 18547 7460 1 8 . 1 1 88 88 GLU H H 78 9.460 9.460 8.612 0.848 18547 7461 1 8 . 1 1 89 89 PRO HA H 79 2.780 2.780 3.621 -0.841 18547 7462 1 8 . 1 1 89 89 PRO CA C 79 60.500 60.500 61.918 -1.418 18547 7463 1 8 . 1 1 89 89 PRO CB C 79 31.600 31.600 31.333 0.267 18547 7464 1 8 . 1 1 90 90 PRO HA H 80 2.250 2.250 2.832 -0.582 18547 7465 1 8 . 1 1 90 90 PRO C C 80 171.400 171.400 176.255 -4.855 18547 7466 1 8 . 1 1 90 90 PRO CA C 80 63.700 63.700 61.617 2.083 18547 7467 1 8 . 1 1 90 90 PRO CB C 80 30.500 30.500 32.467 -1.966 18547 7468 1 8 . 1 1 91 91 ARG N N 81 113.700 113.700 120.343 -6.643 18547 7469 1 8 . 1 1 91 91 ARG HA H 81 4.700 4.700 4.171 0.529 18547 7470 1 8 . 1 1 91 91 ARG C C 81 176.500 176.500 175.774 0.726 18547 7471 1 8 . 1 1 91 91 ARG CA C 81 57.400 57.400 58.372 -0.972 18547 7472 1 8 . 1 1 91 91 ARG CB C 81 34.200 34.200 31.179 3.021 18547 7473 1 8 . 1 1 91 91 ARG H H 81 7.640 7.640 7.671 -0.031 18547 7474 1 8 . 1 1 92 92 ARG N N 82 121.000 121.000 115.948 5.052 18547 7475 1 8 . 1 1 92 92 ARG HA H 82 5.700 5.700 5.489 0.211 18547 7476 1 8 . 1 1 92 92 ARG C C 82 172.700 172.700 173.944 -1.244 18547 7477 1 8 . 1 1 92 92 ARG CA C 82 55.900 55.900 54.947 0.953 18547 7478 1 8 . 1 1 92 92 ARG CB C 82 34.100 34.100 34.531 -0.431 18547 7479 1 8 . 1 1 92 92 ARG H H 82 7.710 7.710 7.968 -0.258 18547 7480 1 8 . 1 1 93 93 LEU N N 83 130.800 130.800 123.448 7.352 18547 7481 1 8 . 1 1 93 93 LEU HA H 83 5.250 5.250 4.936 0.314 18547 7482 1 8 . 1 1 93 93 LEU C C 83 174.000 174.000 174.243 -0.243 18547 7483 1 8 . 1 1 93 93 LEU CA C 83 53.700 53.700 54.660 -0.960 18547 7484 1 8 . 1 1 93 93 LEU CB C 83 47.100 47.100 46.582 0.518 18547 7485 1 8 . 1 1 93 93 LEU H H 83 9.080 9.080 8.864 0.216 18547 7486 1 8 . 1 1 94 94 THR N N 84 124.200 124.200 121.300 2.900 18547 7487 1 8 . 1 1 94 94 THR HA H 84 5.340 5.340 5.319 0.021 18547 7488 1 8 . 1 1 94 94 THR C C 84 174.100 174.100 173.486 0.614 18547 7489 1 8 . 1 1 94 94 THR CA C 84 62.700 62.700 61.604 1.096 18547 7490 1 8 . 1 1 94 94 THR CB C 84 69.600 69.600 70.834 -1.234 18547 7491 1 8 . 1 1 94 94 THR H H 84 9.310 9.310 8.762 0.548 18547 7492 1 8 . 1 1 95 95 ILE N N 85 121.600 121.600 121.401 0.199 18547 7493 1 8 . 1 1 95 95 ILE HA H 85 5.630 5.630 5.050 0.580 18547 7494 1 8 . 1 1 95 95 ILE C C 85 175.000 175.000 173.731 1.269 18547 7495 1 8 . 1 1 95 95 ILE CA C 85 59.300 59.300 59.525 -0.225 18547 7496 1 8 . 1 1 95 95 ILE CB C 85 40.900 40.900 42.182 -1.282 18547 7497 1 8 . 1 1 95 95 ILE H H 85 9.700 9.700 9.165 0.535 18547 7498 1 8 . 1 1 96 96 SER N N 86 117.900 117.900 117.943 -0.043 18547 7499 1 8 . 1 1 96 96 SER HA H 86 5.270 5.270 5.093 0.177 18547 7500 1 8 . 1 1 96 96 SER C C 86 172.200 172.200 173.559 -1.359 18547 7501 1 8 . 1 1 96 96 SER CA C 86 57.600 57.600 58.552 -0.952 18547 7502 1 8 . 1 1 96 96 SER CB C 86 65.700 65.700 65.007 0.693 18547 7503 1 8 . 1 1 96 96 SER H H 86 9.290 9.290 8.497 0.793 18547 7504 1 8 . 1 1 97 97 TRP N N 87 120.000 120.000 124.370 -4.370 18547 7505 1 8 . 1 1 97 97 TRP HA H 87 5.130 5.130 4.980 0.150 18547 7506 1 8 . 1 1 97 97 TRP C C 87 175.500 175.500 173.148 2.352 18547 7507 1 8 . 1 1 97 97 TRP CA C 87 57.900 57.900 57.131 0.769 18547 7508 1 8 . 1 1 97 97 TRP CB C 87 31.500 31.500 32.588 -1.088 18547 7509 1 8 . 1 1 97 97 TRP H H 87 7.790 7.790 8.902 -1.112 18547 7510 1 8 . 1 1 98 98 VAL N N 88 132.200 132.200 128.865 3.335 18547 7511 1 8 . 1 1 98 98 VAL HA H 88 4.460 4.460 4.331 0.129 18547 7512 1 8 . 1 1 98 98 VAL C C 88 175.100 175.100 173.908 1.192 18547 7513 1 8 . 1 1 98 98 VAL CA C 88 62.000 62.000 61.315 0.685 18547 7514 1 8 . 1 1 98 98 VAL CB C 88 32.500 32.500 31.851 0.649 18547 7515 1 8 . 1 1 98 98 VAL H H 88 9.620 9.620 8.275 1.345 18547 7516 1 8 . 1 1 99 99 TYR N N 89 130.300 130.300 129.137 1.163 18547 7517 1 8 . 1 1 99 99 TYR HA H 89 4.440 4.440 4.355 0.085 18547 7518 1 8 . 1 1 99 99 TYR C C 89 173.900 173.900 175.628 -1.728 18547 7519 1 8 . 1 1 99 99 TYR CA C 89 56.800 56.800 58.358 -1.558 18547 7520 1 8 . 1 1 99 99 TYR CB C 89 42.100 42.100 40.438 1.662 18547 7521 1 8 . 1 1 99 99 TYR H H 89 9.670 9.670 8.068 1.602 18547 7522 1 8 . 1 1 100 100 GLU N N 90 127.100 127.100 126.026 1.074 18547 7523 1 8 . 1 1 100 100 GLU HA H 90 3.940 3.940 3.857 0.083 18547 7524 1 8 . 1 1 100 100 GLU C C 90 176.700 176.700 177.701 -1.001 18547 7525 1 8 . 1 1 100 100 GLU CA C 90 58.300 58.300 58.555 -0.255 18547 7526 1 8 . 1 1 100 100 GLU CB C 90 29.200 29.200 29.349 -0.149 18547 7527 1 8 . 1 1 100 100 GLU H H 90 8.080 8.080 7.860 0.220 18547 7528 1 8 . 1 1 101 101 GLY N N 91 113.100 113.100 107.091 6.009 18547 7529 1 8 . 1 1 101 101 GLY C C 91 173.900 173.900 173.704 0.196 18547 7530 1 8 . 1 1 101 101 GLY CA C 91 45.200 45.200 45.928 -0.729 18547 7531 1 8 . 1 1 101 101 GLY H H 91 8.850 8.850 8.365 0.485 18547 7532 1 8 . 1 1 102 102 LYS N N 92 120.100 120.100 119.882 0.218 18547 7533 1 8 . 1 1 102 102 LYS HA H 92 4.990 4.990 4.945 0.045 18547 7534 1 8 . 1 1 102 102 LYS CA C 92 52.500 52.500 52.782 -0.283 18547 7535 1 8 . 1 1 102 102 LYS CB C 92 33.200 33.200 33.469 -0.269 18547 7536 1 8 . 1 1 102 102 LYS H H 92 8.270 8.270 8.197 0.073 18547 7537 1 8 . 1 1 103 103 PRO HA H 93 4.620 4.620 4.670 -0.050 18547 7538 1 8 . 1 1 103 103 PRO C C 93 176.700 176.700 176.526 0.174 18547 7539 1 8 . 1 1 103 103 PRO CA C 93 62.400 62.400 62.256 0.144 18547 7540 1 8 . 1 1 103 103 PRO CB C 93 31.400 31.400 32.538 -1.138 18547 7541 1 8 . 1 1 104 104 ASP N N 94 124.500 124.500 118.013 6.487 18547 7542 1 8 . 1 1 104 104 ASP HA H 94 4.860 4.860 4.316 0.544 18547 7543 1 8 . 1 1 104 104 ASP C C 94 177.100 177.100 174.865 2.235 18547 7544 1 8 . 1 1 104 104 ASP CA C 94 55.900 55.900 55.277 0.623 18547 7545 1 8 . 1 1 104 104 ASP CB C 94 40.500 40.500 40.278 0.222 18547 7546 1 8 . 1 1 104 104 ASP H H 94 8.850 8.850 8.798 0.052 18547 7547 1 8 . 1 1 105 105 SER N N 95 118.600 118.600 118.896 -0.296 18547 7548 1 8 . 1 1 105 105 SER HA H 95 5.280 5.280 4.905 0.375 18547 7549 1 8 . 1 1 105 105 SER C C 95 173.700 173.700 172.425 1.275 18547 7550 1 8 . 1 1 105 105 SER CA C 95 57.900 57.900 58.095 -0.195 18547 7551 1 8 . 1 1 105 105 SER CB C 95 65.600 65.600 66.915 -1.315 18547 7552 1 8 . 1 1 105 105 SER H H 95 9.260 9.260 8.034 1.226 18547 7553 1 8 . 1 1 106 106 GLU N N 96 124.100 124.100 127.222 -3.122 18547 7554 1 8 . 1 1 106 106 GLU HA H 96 5.180 5.180 4.961 0.219 18547 7555 1 8 . 1 1 106 106 GLU C C 96 172.400 172.400 175.518 -3.118 18547 7556 1 8 . 1 1 106 106 GLU CA C 96 57.200 57.200 54.745 2.455 18547 7557 1 8 . 1 1 106 106 GLU CB C 96 36.100 36.100 31.345 4.755 18547 7558 1 8 . 1 1 106 106 GLU H H 96 8.620 8.620 8.743 -0.123 18547 7559 1 8 . 1 1 107 107 VAL N N 97 128.100 128.100 127.394 0.706 18547 7560 1 8 . 1 1 107 107 VAL HA H 97 4.770 4.770 4.529 0.241 18547 7561 1 8 . 1 1 107 107 VAL C C 97 173.100 173.100 174.906 -1.806 18547 7562 1 8 . 1 1 107 107 VAL CA C 97 60.100 60.100 61.489 -1.389 18547 7563 1 8 . 1 1 107 107 VAL CB C 97 34.200 34.200 33.486 0.714 18547 7564 1 8 . 1 1 107 107 VAL H H 97 9.180 9.180 8.810 0.370 18547 7565 1 8 . 1 1 108 108 GLU N N 98 126.200 126.200 122.461 3.739 18547 7566 1 8 . 1 1 108 108 GLU HA H 98 5.580 5.580 5.420 0.160 18547 7567 1 8 . 1 1 108 108 GLU C C 98 172.100 172.100 174.591 -2.491 18547 7568 1 8 . 1 1 108 108 GLU CA C 98 54.200 54.200 54.331 -0.131 18547 7569 1 8 . 1 1 108 108 GLU CB C 98 35.200 35.200 34.397 0.803 18547 7570 1 8 . 1 1 108 108 GLU H H 98 9.300 9.300 8.895 0.405 18547 7571 1 8 . 1 1 109 109 LEU N N 99 128.600 128.600 122.254 6.346 18547 7572 1 8 . 1 1 109 109 LEU HA H 99 5.080 5.080 4.693 0.387 18547 7573 1 8 . 1 1 109 109 LEU C C 99 175.100 175.100 174.664 0.436 18547 7574 1 8 . 1 1 109 109 LEU CA C 99 52.700 52.700 53.740 -1.040 18547 7575 1 8 . 1 1 109 109 LEU CB C 99 46.400 46.400 46.515 -0.115 18547 7576 1 8 . 1 1 109 109 LEU H H 99 9.330 9.330 8.893 0.437 18547 7577 1 8 . 1 1 110 110 ARG N N 100 124.700 124.700 127.000 -2.300 18547 7578 1 8 . 1 1 110 110 ARG HA H 100 5.390 5.390 5.045 0.345 18547 7579 1 8 . 1 1 110 110 ARG C C 100 175.400 175.400 174.011 1.389 18547 7580 1 8 . 1 1 110 110 ARG CA C 100 54.600 54.600 55.310 -0.710 18547 7581 1 8 . 1 1 110 110 ARG CB C 100 34.100 34.100 32.633 1.467 18547 7582 1 8 . 1 1 110 110 ARG H H 100 9.430 9.430 8.333 1.097 18547 7583 1 8 . 1 1 111 111 LEU N N 101 122.900 122.900 128.677 -5.777 18547 7584 1 8 . 1 1 111 111 LEU HA H 101 5.620 5.620 5.276 0.344 18547 7585 1 8 . 1 1 111 111 LEU C C 101 177.100 177.100 175.044 2.056 18547 7586 1 8 . 1 1 111 111 LEU CA C 101 53.000 53.000 53.784 -0.784 18547 7587 1 8 . 1 1 111 111 LEU CB C 101 44.900 44.900 44.804 0.096 18547 7588 1 8 . 1 1 111 111 LEU H H 101 9.120 9.120 8.733 0.387 18547 7589 1 8 . 1 1 112 112 SER N N 102 113.800 113.800 117.438 -3.638 18547 7590 1 8 . 1 1 112 112 SER HA H 102 4.690 4.690 4.595 0.095 18547 7591 1 8 . 1 1 112 112 SER C C 102 172.700 172.700 172.605 0.095 18547 7592 1 8 . 1 1 112 112 SER CA C 102 57.000 57.000 56.361 0.639 18547 7593 1 8 . 1 1 112 112 SER CB C 102 65.700 65.700 65.686 0.014 18547 7594 1 8 . 1 1 112 112 SER H H 102 8.770 8.770 8.599 0.171 18547 7595 1 8 . 1 1 113 113 GLU N N 103 123.400 123.400 127.891 -4.491 18547 7596 1 8 . 1 1 113 113 GLU HA H 103 4.440 4.440 4.357 0.083 18547 7597 1 8 . 1 1 113 113 GLU C C 103 176.600 176.600 175.882 0.718 18547 7598 1 8 . 1 1 113 113 GLU CA C 103 57.500 57.500 57.449 0.051 18547 7599 1 8 . 1 1 113 113 GLU CB C 103 30.200 30.200 30.113 0.087 18547 7600 1 8 . 1 1 113 113 GLU H H 103 9.200 9.200 8.591 0.609 18547 7601 1 8 . 1 1 114 114 GLU N N 104 126.500 126.500 128.070 -1.570 18547 7602 1 8 . 1 1 114 114 GLU HA H 104 4.450 4.450 4.446 0.004 18547 7603 1 8 . 1 1 114 114 GLU C C 104 175.600 175.600 175.901 -0.301 18547 7604 1 8 . 1 1 114 114 GLU CA C 104 55.700 55.700 55.438 0.262 18547 7605 1 8 . 1 1 114 114 GLU CB C 104 31.300 31.300 31.186 0.114 18547 7606 1 8 . 1 1 114 114 GLU H H 104 8.110 8.110 7.913 0.197 18547 7607 1 8 . 1 1 115 115 GLY N N 105 118.000 118.000 114.523 3.477 18547 7608 1 8 . 1 1 115 115 GLY C C 105 174.700 174.700 174.925 -0.225 18547 7609 1 8 . 1 1 115 115 GLY CA C 105 47.100 47.100 45.053 2.047 18547 7610 1 8 . 1 1 115 115 GLY H H 105 9.030 9.030 8.530 0.500 18547 7611 1 8 . 1 1 116 116 ASP N N 106 126.200 126.200 126.323 -0.123 18547 7612 1 8 . 1 1 116 116 ASP HA H 106 4.750 4.750 4.741 0.009 18547 7613 1 8 . 1 1 116 116 ASP C C 106 175.600 175.600 175.324 0.276 18547 7614 1 8 . 1 1 116 116 ASP CA C 106 54.300 54.300 54.418 -0.118 18547 7615 1 8 . 1 1 116 116 ASP CB C 106 40.800 40.800 39.253 1.547 18547 7616 1 8 . 1 1 116 116 ASP H H 106 8.800 8.800 8.491 0.309 18547 7617 1 8 . 1 1 117 117 GLY N N 107 109.500 109.500 106.897 2.603 18547 7618 1 8 . 1 1 117 117 GLY C C 107 174.400 174.400 172.524 1.876 18547 7619 1 8 . 1 1 117 117 GLY CA C 107 44.800 44.800 45.709 -0.909 18547 7620 1 8 . 1 1 117 117 GLY H H 107 8.040 8.040 7.537 0.503 18547 7621 1 8 . 1 1 118 118 THR N N 108 120.400 120.400 115.936 4.464 18547 7622 1 8 . 1 1 118 118 THR HA H 108 4.970 4.970 4.831 0.139 18547 7623 1 8 . 1 1 118 118 THR C C 108 173.000 173.000 172.726 0.274 18547 7624 1 8 . 1 1 118 118 THR CA C 108 63.500 63.500 62.745 0.755 18547 7625 1 8 . 1 1 118 118 THR CB C 108 73.000 73.000 72.582 0.418 18547 7626 1 8 . 1 1 118 118 THR H H 108 9.010 9.010 8.383 0.627 18547 7627 1 8 . 1 1 119 119 LEU N N 109 129.000 129.000 129.473 -0.473 18547 7628 1 8 . 1 1 119 119 LEU HA H 109 4.790 4.790 4.910 -0.120 18547 7629 1 8 . 1 1 119 119 LEU C C 109 173.500 173.500 174.722 -1.222 18547 7630 1 8 . 1 1 119 119 LEU CA C 109 54.300 54.300 54.103 0.197 18547 7631 1 8 . 1 1 119 119 LEU CB C 109 42.900 42.900 42.790 0.110 18547 7632 1 8 . 1 1 119 119 LEU H H 109 9.410 9.410 8.869 0.541 18547 7633 1 8 . 1 1 120 120 LEU N N 110 132.200 132.200 130.280 1.920 18547 7634 1 8 . 1 1 120 120 LEU HA H 110 4.820 4.820 4.888 -0.068 18547 7635 1 8 . 1 1 120 120 LEU C C 110 174.100 174.100 175.113 -1.013 18547 7636 1 8 . 1 1 120 120 LEU CA C 110 54.900 54.900 54.320 0.580 18547 7637 1 8 . 1 1 120 120 LEU CB C 110 45.300 45.300 43.842 1.458 18547 7638 1 8 . 1 1 120 120 LEU H H 110 9.430 9.430 9.117 0.313 18547 7639 1 8 . 1 1 121 121 GLU N N 111 125.800 125.800 125.923 -0.123 18547 7640 1 8 . 1 1 121 121 GLU HA H 111 5.530 5.530 4.965 0.565 18547 7641 1 8 . 1 1 121 121 GLU C C 111 173.500 173.500 174.850 -1.350 18547 7642 1 8 . 1 1 121 121 GLU CA C 111 54.500 54.500 54.688 -0.188 18547 7643 1 8 . 1 1 121 121 GLU CB C 111 33.100 33.100 31.804 1.296 18547 7644 1 8 . 1 1 121 121 GLU H H 111 8.970 8.970 8.780 0.190 18547 7645 1 8 . 1 1 122 122 LEU N N 112 127.300 127.300 128.069 -0.769 18547 7646 1 8 . 1 1 122 122 LEU HA H 112 5.030 5.030 4.780 0.250 18547 7647 1 8 . 1 1 122 122 LEU C C 112 173.700 173.700 174.465 -0.765 18547 7648 1 8 . 1 1 122 122 LEU CA C 112 53.200 53.200 53.423 -0.223 18547 7649 1 8 . 1 1 122 122 LEU CB C 112 45.400 45.400 44.451 0.949 18547 7650 1 8 . 1 1 122 122 LEU H H 112 8.950 8.950 8.552 0.398 18547 7651 1 8 . 1 1 123 123 GLU N N 113 127.900 127.900 125.931 1.969 18547 7652 1 8 . 1 1 123 123 GLU HA H 113 5.750 5.750 5.323 0.427 18547 7653 1 8 . 1 1 123 123 GLU C C 113 174.200 174.200 174.640 -0.440 18547 7654 1 8 . 1 1 123 123 GLU CA C 113 52.900 52.900 53.583 -0.683 18547 7655 1 8 . 1 1 123 123 GLU CB C 113 33.300 33.300 32.636 0.664 18547 7656 1 8 . 1 1 123 123 GLU H H 113 9.350 9.350 8.566 0.784 18547 7657 1 8 . 1 1 124 124 HIS N N 114 128.200 128.200 125.129 3.071 18547 7658 1 8 . 1 1 124 124 HIS HA H 114 5.240 5.240 4.773 0.467 18547 7659 1 8 . 1 1 124 124 HIS C C 114 173.900 173.900 173.301 0.599 18547 7660 1 8 . 1 1 124 124 HIS CA C 114 54.300 54.300 54.573 -0.273 18547 7661 1 8 . 1 1 124 124 HIS CB C 114 34.600 34.600 32.224 2.377 18547 7662 1 8 . 1 1 124 124 HIS H H 114 8.770 8.770 8.496 0.274 18547 7663 1 8 . 1 1 125 125 ALA N N 115 128.600 128.600 131.571 -2.971 18547 7664 1 8 . 1 1 125 125 ALA HA H 115 5.150 5.150 5.283 -0.133 18547 7665 1 8 . 1 1 125 125 ALA C C 115 175.400 175.400 175.757 -0.357 18547 7666 1 8 . 1 1 125 125 ALA CA C 115 50.100 50.100 50.411 -0.311 18547 7667 1 8 . 1 1 125 125 ALA CB C 115 22.500 22.500 20.257 2.243 18547 7668 1 8 . 1 1 125 125 ALA H H 115 9.360 9.360 8.671 0.689 18547 7669 1 8 . 1 1 126 126 THR N N 116 115.800 115.800 119.630 -3.830 18547 7670 1 8 . 1 1 126 126 THR HA H 116 4.960 4.960 4.926 0.034 18547 7671 1 8 . 1 1 126 126 THR C C 116 172.200 172.200 175.863 -3.663 18547 7672 1 8 . 1 1 126 126 THR CA C 116 58.800 58.800 59.113 -0.313 18547 7673 1 8 . 1 1 126 126 THR CB C 116 69.200 69.200 71.158 -1.958 18547 7674 1 8 . 1 1 126 126 THR H H 116 8.760 8.760 8.141 0.619 18547 7675 1 8 . 1 1 127 127 THR N N 117 116.000 116.000 118.323 -2.323 18547 7676 1 8 . 1 1 127 127 THR HA H 117 4.390 4.390 4.269 0.121 18547 7677 1 8 . 1 1 127 127 THR C C 117 174.400 174.400 175.359 -0.959 18547 7678 1 8 . 1 1 127 127 THR CA C 117 62.900 62.900 63.597 -0.697 18547 7679 1 8 . 1 1 127 127 THR CB C 117 68.800 68.800 68.933 -0.133 18547 7680 1 8 . 1 1 127 127 THR H H 117 8.460 8.460 8.845 -0.385 18547 7681 1 8 . 1 1 128 128 SER N N 118 116.400 116.400 117.775 -1.375 18547 7682 1 8 . 1 1 128 128 SER HA H 118 4.890 4.890 4.625 0.265 18547 7683 1 8 . 1 1 128 128 SER C C 118 174.700 174.700 174.784 -0.084 18547 7684 1 8 . 1 1 128 128 SER CA C 118 55.400 55.400 57.219 -1.819 18547 7685 1 8 . 1 1 128 128 SER CB C 118 63.000 63.000 64.672 -1.672 18547 7686 1 8 . 1 1 128 128 SER H H 118 7.730 7.730 7.645 0.085 18547 7687 1 8 . 1 1 129 129 GLU N N 119 130.300 130.300 127.361 2.939 18547 7688 1 8 . 1 1 129 129 GLU HA H 119 3.940 3.940 3.971 -0.031 18547 7689 1 8 . 1 1 129 129 GLU C C 119 178.400 178.400 178.400 0.000 18547 7690 1 8 . 1 1 129 129 GLU CA C 119 59.900 59.900 59.587 0.313 18547 7691 1 8 . 1 1 129 129 GLU CB C 119 29.700 29.700 29.516 0.184 18547 7692 1 8 . 1 1 129 129 GLU H H 119 9.000 9.000 9.269 -0.269 18547 7693 1 8 . 1 1 130 130 GLN N N 120 117.300 117.300 117.565 -0.265 18547 7694 1 8 . 1 1 130 130 GLN HA H 120 4.120 4.120 4.044 0.076 18547 7695 1 8 . 1 1 130 130 GLN C C 120 177.900 177.900 178.100 -0.200 18547 7696 1 8 . 1 1 130 130 GLN CA C 120 58.400 58.400 58.764 -0.363 18547 7697 1 8 . 1 1 130 130 GLN CB C 120 28.000 28.000 28.121 -0.121 18547 7698 1 8 . 1 1 130 130 GLN H H 120 8.410 8.410 8.485 -0.075 18547 7699 1 8 . 1 1 131 131 MET N N 121 118.300 118.300 119.237 -0.937 18547 7700 1 8 . 1 1 131 131 MET HA H 121 4.240 4.240 4.188 0.052 18547 7701 1 8 . 1 1 131 131 MET C C 121 176.400 176.400 177.745 -1.345 18547 7702 1 8 . 1 1 131 131 MET CA C 121 57.300 57.300 57.445 -0.145 18547 7703 1 8 . 1 1 131 131 MET CB C 121 32.400 32.400 31.966 0.434 18547 7704 1 8 . 1 1 131 131 MET H H 121 7.640 7.640 7.998 -0.358 18547 7705 1 8 . 1 1 132 132 LEU N N 122 118.700 118.700 119.609 -0.909 18547 7706 1 8 . 1 1 132 132 LEU HA H 122 3.630 3.630 3.722 -0.092 18547 7707 1 8 . 1 1 132 132 LEU C C 122 177.100 177.100 179.236 -2.136 18547 7708 1 8 . 1 1 132 132 LEU CA C 122 58.300 58.300 57.846 0.454 18547 7709 1 8 . 1 1 132 132 LEU CB C 122 41.900 41.900 41.442 0.458 18547 7710 1 8 . 1 1 132 132 LEU H H 122 7.470 7.470 7.808 -0.338 18547 7711 1 8 . 1 1 133 133 VAL N N 123 114.600 114.600 117.660 -3.060 18547 7712 1 8 . 1 1 133 133 VAL HA H 123 3.360 3.360 3.482 -0.122 18547 7713 1 8 . 1 1 133 133 VAL C C 123 176.700 176.700 177.663 -0.963 18547 7714 1 8 . 1 1 133 133 VAL CA C 123 66.600 66.600 66.845 -0.245 18547 7715 1 8 . 1 1 133 133 VAL CB C 123 31.800 31.800 31.488 0.311 18547 7716 1 8 . 1 1 133 133 VAL H H 123 7.040 7.040 7.590 -0.550 18547 7717 1 8 . 1 1 134 134 GLU N N 124 116.700 116.700 120.051 -3.351 18547 7718 1 8 . 1 1 134 134 GLU HA H 124 3.900 3.900 3.972 -0.072 18547 7719 1 8 . 1 1 134 134 GLU C C 124 180.700 180.700 179.014 1.686 18547 7720 1 8 . 1 1 134 134 GLU CA C 124 59.300 59.300 59.632 -0.332 18547 7721 1 8 . 1 1 134 134 GLU CB C 124 29.900 29.900 29.741 0.158 18547 7722 1 8 . 1 1 134 134 GLU H H 124 7.200 7.200 7.556 -0.356 18547 7723 1 8 . 1 1 135 135 VAL N N 125 114.700 114.700 114.507 0.193 18547 7724 1 8 . 1 1 135 135 VAL HA H 125 3.930 3.930 3.516 0.414 18547 7725 1 8 . 1 1 135 135 VAL C C 125 177.900 177.900 177.506 0.394 18547 7726 1 8 . 1 1 135 135 VAL CA C 125 63.800 63.800 64.548 -0.748 18547 7727 1 8 . 1 1 135 135 VAL CB C 125 30.400 30.400 30.861 -0.461 18547 7728 1 8 . 1 1 135 135 VAL H H 125 8.620 8.620 8.095 0.525 18547 7729 1 8 . 1 1 136 136 GLY N N 126 112.200 112.200 108.341 3.859 18547 7730 1 8 . 1 1 136 136 GLY C C 126 174.800 174.800 175.872 -1.072 18547 7731 1 8 . 1 1 136 136 GLY CA C 126 47.200 47.200 46.846 0.354 18547 7732 1 8 . 1 1 136 136 GLY H H 126 7.750 7.750 7.640 0.110 18547 7733 1 8 . 1 1 137 137 VAL N N 127 119.100 119.100 122.185 -3.085 18547 7734 1 8 . 1 1 137 137 VAL HA H 127 3.510 3.510 3.934 -0.424 18547 7735 1 8 . 1 1 137 137 VAL C C 127 179.100 179.100 177.991 1.109 18547 7736 1 8 . 1 1 137 137 VAL CA C 127 67.400 67.400 66.237 1.163 18547 7737 1 8 . 1 1 137 137 VAL CB C 127 32.500 32.500 31.512 0.988 18547 7738 1 8 . 1 1 137 137 VAL H H 127 7.680 7.680 7.253 0.427 18547 7739 1 8 . 1 1 138 138 GLY N N 128 106.300 106.300 107.307 -1.007 18547 7740 1 8 . 1 1 138 138 GLY C C 128 177.900 177.900 176.031 1.869 18547 7741 1 8 . 1 1 138 138 GLY CA C 128 47.300 47.300 47.021 0.279 18547 7742 1 8 . 1 1 138 138 GLY H H 128 8.210 8.210 7.615 0.595 18547 7743 1 8 . 1 1 139 139 TRP N N 129 122.500 122.500 121.409 1.091 18547 7744 1 8 . 1 1 139 139 TRP HA H 129 4.890 4.890 4.496 0.394 18547 7745 1 8 . 1 1 139 139 TRP C C 129 179.100 179.100 178.388 0.712 18547 7746 1 8 . 1 1 139 139 TRP CA C 129 59.800 59.800 59.185 0.615 18547 7747 1 8 . 1 1 139 139 TRP CB C 129 30.100 30.100 29.689 0.411 18547 7748 1 8 . 1 1 139 139 TRP H H 129 8.880 8.880 8.230 0.650 18547 7749 1 8 . 1 1 140 140 GLU N N 130 119.000 119.000 119.033 -0.033 18547 7750 1 8 . 1 1 140 140 GLU HA H 130 4.020 4.020 4.095 -0.075 18547 7751 1 8 . 1 1 140 140 GLU C C 130 179.300 179.300 179.360 -0.060 18547 7752 1 8 . 1 1 140 140 GLU CA C 130 62.900 62.900 59.567 3.333 18547 7753 1 8 . 1 1 140 140 GLU CB C 130 30.600 30.600 29.377 1.223 18547 7754 1 8 . 1 1 140 140 GLU H H 130 8.210 8.210 7.893 0.317 18547 7755 1 8 . 1 1 141 141 MET N N 131 117.100 117.100 118.832 -1.732 18547 7756 1 8 . 1 1 141 141 MET HA H 131 4.330 4.330 4.322 0.008 18547 7757 1 8 . 1 1 141 141 MET C C 131 178.500 178.500 178.157 0.343 18547 7758 1 8 . 1 1 141 141 MET CA C 131 57.700 57.700 57.981 -0.281 18547 7759 1 8 . 1 1 141 141 MET CB C 131 30.600 30.600 32.233 -1.633 18547 7760 1 8 . 1 1 141 141 MET H H 131 8.210 8.210 8.248 -0.038 18547 7761 1 8 . 1 1 142 142 ALA N N 132 121.400 121.400 122.787 -1.387 18547 7762 1 8 . 1 1 142 142 ALA HA H 132 4.720 4.720 4.681 0.039 18547 7763 1 8 . 1 1 142 142 ALA C C 132 180.900 180.900 180.115 0.785 18547 7764 1 8 . 1 1 142 142 ALA CA C 132 55.700 55.700 55.019 0.681 18547 7765 1 8 . 1 1 142 142 ALA CB C 132 18.200 18.200 18.987 -0.787 18547 7766 1 8 . 1 1 142 142 ALA H H 132 7.910 7.910 7.888 0.022 18547 7767 1 8 . 1 1 143 143 LEU N N 133 117.200 117.200 118.402 -1.202 18547 7768 1 8 . 1 1 143 143 LEU HA H 133 4.150 4.150 4.482 -0.332 18547 7769 1 8 . 1 1 143 143 LEU C C 133 180.300 180.300 179.480 0.820 18547 7770 1 8 . 1 1 143 143 LEU CA C 133 57.300 57.300 56.526 0.774 18547 7771 1 8 . 1 1 143 143 LEU CB C 133 40.600 40.600 40.814 -0.214 18547 7772 1 8 . 1 1 143 143 LEU H H 133 9.190 9.190 8.797 0.393 18547 7773 1 8 . 1 1 144 144 ASP N N 134 122.600 122.600 121.546 1.054 18547 7774 1 8 . 1 1 144 144 ASP HA H 134 4.580 4.580 4.465 0.115 18547 7775 1 8 . 1 1 144 144 ASP C C 134 179.900 179.900 178.318 1.582 18547 7776 1 8 . 1 1 144 144 ASP CA C 134 57.800 57.800 57.722 0.078 18547 7777 1 8 . 1 1 144 144 ASP CB C 134 39.800 39.800 41.067 -1.267 18547 7778 1 8 . 1 1 144 144 ASP H H 134 7.930 7.930 8.480 -0.550 18547 7779 1 8 . 1 1 145 145 PHE N N 135 119.300 119.300 119.228 0.072 18547 7780 1 8 . 1 1 145 145 PHE HA H 135 4.580 4.580 4.508 0.072 18547 7781 1 8 . 1 1 145 145 PHE C C 135 178.000 178.000 177.005 0.995 18547 7782 1 8 . 1 1 145 145 PHE CA C 135 61.700 61.700 58.731 2.969 18547 7783 1 8 . 1 1 145 145 PHE CB C 135 39.400 39.400 39.388 0.013 18547 7784 1 8 . 1 1 145 145 PHE H H 135 7.690 7.690 8.185 -0.495 18547 7785 1 8 . 1 1 146 146 LEU N N 136 124.400 124.400 121.664 2.736 18547 7786 1 8 . 1 1 146 146 LEU HA H 136 3.200 3.200 4.015 -0.815 18547 7787 1 8 . 1 1 146 146 LEU C C 136 178.800 178.800 178.351 0.449 18547 7788 1 8 . 1 1 146 146 LEU CA C 136 58.400 58.400 56.709 1.691 18547 7789 1 8 . 1 1 146 146 LEU CB C 136 38.800 38.800 41.023 -2.223 18547 7790 1 8 . 1 1 146 146 LEU H H 136 7.930 7.930 8.626 -0.696 18547 7791 1 8 . 1 1 147 147 GLY N N 137 104.200 104.200 107.899 -3.699 18547 7792 1 8 . 1 1 147 147 GLY C C 137 176.100 176.100 176.405 -0.305 18547 7793 1 8 . 1 1 147 147 GLY CA C 137 47.900 47.900 47.628 0.272 18547 7794 1 8 . 1 1 147 147 GLY H H 137 8.340 8.340 8.261 0.079 18547 7795 1 8 . 1 1 148 148 MET N N 138 119.300 119.300 120.538 -1.238 18547 7796 1 8 . 1 1 148 148 MET HA H 138 4.090 4.090 4.423 -0.333 18547 7797 1 8 . 1 1 148 148 MET C C 138 177.700 177.700 178.218 -0.518 18547 7798 1 8 . 1 1 148 148 MET CA C 138 59.400 59.400 57.007 2.393 18547 7799 1 8 . 1 1 148 148 MET CB C 138 34.500 34.500 31.648 2.852 18547 7800 1 8 . 1 1 148 148 MET H H 138 7.550 7.550 7.830 -0.280 18547 7801 1 8 . 1 1 149 149 PHE N N 139 120.400 120.400 121.760 -1.360 18547 7802 1 8 . 1 1 149 149 PHE HA H 139 4.380 4.380 4.230 0.150 18547 7803 1 8 . 1 1 149 149 PHE C C 139 179.100 179.100 177.671 1.429 18547 7804 1 8 . 1 1 149 149 PHE CA C 139 60.800 60.800 61.750 -0.950 18547 7805 1 8 . 1 1 149 149 PHE CB C 139 39.200 39.200 39.070 0.130 18547 7806 1 8 . 1 1 149 149 PHE H H 139 8.600 8.600 8.055 0.545 18547 7807 1 8 . 1 1 150 150 ILE N N 140 121.300 121.300 117.608 3.692 18547 7808 1 8 . 1 1 150 150 ILE HA H 140 3.420 3.420 3.369 0.051 18547 7809 1 8 . 1 1 150 150 ILE C C 140 177.500 177.500 177.911 -0.411 18547 7810 1 8 . 1 1 150 150 ILE CA C 140 63.100 63.100 63.613 -0.513 18547 7811 1 8 . 1 1 150 150 ILE CB C 140 37.100 37.100 37.762 -0.662 18547 7812 1 8 . 1 1 150 150 ILE H H 140 8.780 8.780 8.082 0.698 18547 7813 1 8 . 1 1 151 151 ARG N N 141 116.500 116.500 119.152 -2.652 18547 7814 1 8 . 1 1 151 151 ARG HA H 141 4.220 4.220 4.146 0.074 18547 7815 1 8 . 1 1 151 151 ARG C C 141 176.700 176.700 177.017 -0.317 18547 7816 1 8 . 1 1 151 151 ARG CA C 141 57.500 57.500 56.971 0.529 18547 7817 1 8 . 1 1 151 151 ARG CB C 141 31.500 31.500 30.549 0.951 18547 7818 1 8 . 1 1 151 151 ARG H H 141 7.730 7.730 7.853 -0.123 18547 7819 1 8 . 1 1 152 152 GLY N N 142 106.800 106.800 106.101 0.699 18547 7820 1 8 . 1 1 152 152 GLY C C 142 174.900 174.900 174.631 0.269 18547 7821 1 8 . 1 1 152 152 GLY CA C 142 45.700 45.700 45.148 0.552 18547 7822 1 8 . 1 1 152 152 GLY H H 142 7.570 7.570 7.694 -0.124 18547 7823 1 8 . 1 1 153 153 ASP N N 143 119.400 119.400 121.049 -1.649 18547 7824 1 8 . 1 1 153 153 ASP HA H 143 4.780 4.780 4.945 -0.165 18547 7825 1 8 . 1 1 153 153 ASP C C 143 175.400 175.400 175.362 0.038 18547 7826 1 8 . 1 1 153 153 ASP CA C 143 54.200 54.200 53.156 1.044 18547 7827 1 8 . 1 1 153 153 ASP CB C 143 42.100 42.100 40.976 1.124 18547 7828 1 8 . 1 1 153 153 ASP H H 143 8.290 8.290 7.992 0.298 18547 7829 1 8 . 1 1 154 154 LEU N N 144 121.300 121.300 122.362 -1.062 18547 7830 1 8 . 1 1 154 154 LEU HA H 144 4.810 4.810 4.644 0.166 18547 7831 1 8 . 1 1 154 154 LEU CA C 144 52.800 52.800 52.659 0.141 18547 7832 1 8 . 1 1 154 154 LEU CB C 144 42.500 42.500 40.813 1.687 18547 7833 1 8 . 1 1 154 154 LEU H H 144 8.010 8.010 8.045 -0.035 18547 7834 1 8 . 1 1 155 155 PRO HA H 145 4.480 4.480 4.486 -0.006 18547 7835 1 8 . 1 1 155 155 PRO C C 145 177.600 177.600 177.152 0.448 18547 7836 1 8 . 1 1 155 155 PRO CA C 145 63.500 63.500 62.503 0.997 18547 7837 1 8 . 1 1 155 155 PRO CB C 145 32.200 32.200 32.526 -0.326 18547 7838 1 8 . 1 1 156 156 GLY N N 146 108.900 108.900 106.956 1.944 18547 7839 1 8 . 1 1 156 156 GLY C C 146 174.300 174.300 174.136 0.164 18547 7840 1 8 . 1 1 156 156 GLY CA C 146 45.100 45.100 45.039 0.060 18547 7841 1 8 . 1 1 156 156 GLY H H 146 8.530 8.530 8.687 -0.157 18547 7842 1 8 . 1 1 157 157 GLY N N 147 108.800 108.800 110.975 -2.175 18547 7843 1 8 . 1 1 157 157 GLY CA C 147 44.500 44.500 44.606 -0.106 18547 7844 1 8 . 1 1 157 157 GLY H H 147 8.080 8.080 7.964 0.116 18547 7845 1 8 . 1 1 158 158 PRO HA H 148 4.440 4.440 4.793 -0.353 18547 7846 1 8 . 1 1 158 158 PRO C C 148 176.800 176.800 176.219 0.581 18547 7847 1 8 . 1 1 158 158 PRO CA C 148 63.000 63.000 62.482 0.518 18547 7848 1 8 . 1 1 158 158 PRO CB C 148 32.100 32.100 33.000 -0.900 18547 7849 1 8 . 1 1 159 159 VAL N N 149 121.400 121.400 116.869 4.531 18547 7850 1 8 . 1 1 159 159 VAL HA H 149 4.390 4.390 4.265 0.125 18547 7851 1 8 . 1 1 159 159 VAL CA C 149 59.800 59.800 59.524 0.276 18547 7852 1 8 . 1 1 159 159 VAL CB C 149 32.600 32.600 30.671 1.929 18547 7853 1 8 . 1 1 159 159 VAL H H 149 8.220 8.220 8.414 -0.194 18547 7854 1 8 . 1 1 160 160 PRO HA H 150 4.380 4.380 4.382 -0.002 18547 7855 1 8 . 1 1 160 160 PRO C C 150 177.200 177.200 176.938 0.262 18547 7856 1 8 . 1 1 160 160 PRO CA C 150 63.300 63.300 65.417 -2.117 18547 7857 1 8 . 1 1 160 160 PRO CB C 150 32.100 32.100 32.138 -0.038 18547 7858 1 8 . 1 1 161 161 GLU N N 151 120.700 120.700 115.443 5.257 18547 7859 1 8 . 1 1 161 161 GLU HA H 151 4.170 4.170 4.322 -0.152 18547 7860 1 8 . 1 1 161 161 GLU CA C 151 57.400 57.400 56.343 1.057 18547 7861 1 8 . 1 1 161 161 GLU CB C 151 29.900 29.900 30.026 -0.126 18547 7862 1 8 . 1 1 161 161 GLU H H 151 8.620 8.620 7.975 0.645 18547 7863 1 8 . 1 1 162 162 ASP N N 152 119.900 119.900 119.610 0.290 18547 7864 1 8 . 1 1 162 162 ASP HA H 152 4.570 4.570 4.360 0.210 18547 7865 1 8 . 1 1 162 162 ASP C C 152 176.000 176.000 174.958 1.042 18547 7866 1 8 . 1 1 162 162 ASP CA C 152 54.200 54.200 54.547 -0.347 18547 7867 1 8 . 1 1 162 162 ASP CB C 152 41.000 41.000 40.034 0.966 18547 7868 1 8 . 1 1 162 162 ASP H H 152 8.250 8.250 8.328 -0.078 18547 7869 1 8 . 1 1 163 163 ALA N N 153 124.000 124.000 123.352 0.648 18547 7870 1 8 . 1 1 163 163 ALA HA H 153 4.270 4.270 4.283 -0.013 18547 7871 1 8 . 1 1 163 163 ALA C C 153 177.400 177.400 176.418 0.982 18547 7872 1 8 . 1 1 163 163 ALA CA C 153 52.700 52.700 52.538 0.162 18547 7873 1 8 . 1 1 163 163 ALA CB C 153 19.200 19.200 19.961 -0.761 18547 7874 1 8 . 1 1 163 163 ALA H H 153 8.040 8.040 8.017 0.023 18547 7875 1 8 . 1 1 164 164 ALA N N 154 122.600 122.600 121.384 1.216 18547 7876 1 8 . 1 1 164 164 ALA HA H 154 4.260 4.260 4.119 0.141 18547 7877 1 8 . 1 1 164 164 ALA C C 154 177.900 177.900 176.959 0.941 18547 7878 1 8 . 1 1 164 164 ALA CA C 154 52.600 52.600 52.584 0.015 18547 7879 1 8 . 1 1 164 164 ALA CB C 154 19.300 19.300 17.502 1.798 18547 7880 1 8 . 1 1 164 164 ALA H H 154 8.190 8.190 8.129 0.061 18547 7881 1 8 . 1 1 165 165 GLU N N 155 119.400 119.400 118.359 1.041 18547 7882 1 8 . 1 1 165 165 GLU HA H 155 4.220 4.220 4.210 0.010 18547 7883 1 8 . 1 1 165 165 GLU C C 155 176.200 176.200 176.987 -0.787 18547 7884 1 8 . 1 1 165 165 GLU CA C 155 56.500 56.500 57.174 -0.674 18547 7885 1 8 . 1 1 165 165 GLU CB C 155 30.300 30.300 30.121 0.179 18547 7886 1 8 . 1 1 165 165 GLU H H 155 8.190 8.190 8.786 -0.596 18547 7887 1 8 . 1 1 166 166 GLU N N 156 121.000 121.000 119.027 1.973 18547 7888 1 8 . 1 1 166 166 GLU HA H 156 4.240 4.240 4.175 0.065 18547 7889 1 8 . 1 1 166 166 GLU C C 156 175.800 175.800 175.735 0.065 18547 7890 1 8 . 1 1 166 166 GLU CA C 156 56.300 56.300 55.639 0.661 18547 7891 1 8 . 1 1 166 166 GLU CB C 156 30.300 30.300 30.171 0.129 18547 7892 1 8 . 1 1 166 166 GLU H H 156 8.230 8.230 7.972 0.258 18547 7893 1 8 . 1 1 167 167 PHE N N 157 121.400 121.400 116.737 4.663 18547 7894 1 8 . 1 1 167 167 PHE HA H 157 4.590 4.590 4.177 0.413 18547 7895 1 8 . 1 1 167 167 PHE C C 157 175.100 175.100 175.869 -0.769 18547 7896 1 8 . 1 1 167 167 PHE CA C 157 57.700 57.700 58.157 -0.457 18547 7897 1 8 . 1 1 167 167 PHE CB C 157 39.900 39.900 37.830 2.070 18547 7898 1 8 . 1 1 167 167 PHE H H 157 8.240 8.240 8.112 0.128 18547 7899 1 8 . 1 1 168 168 GLU N N 158 124.400 124.400 121.436 2.964 18547 7900 1 8 . 1 1 168 168 GLU HA H 158 4.600 4.600 4.162 0.438 18547 7901 1 8 . 1 1 168 168 GLU CA C 158 53.700 53.700 58.536 -4.836 18547 7902 1 8 . 1 1 168 168 GLU CB C 158 30.400 30.400 28.832 1.567 18547 7903 1 8 . 1 1 168 168 GLU H H 158 8.130 8.130 8.565 -0.435 18547 7904 1 8 . 1 1 169 169 PRO HA H 159 4.460 4.460 4.374 0.086 18547 7905 1 8 . 1 1 169 169 PRO C C 159 176.200 176.200 175.961 0.239 18547 7906 1 8 . 1 1 169 169 PRO CA C 159 62.800 62.800 63.794 -0.994 18547 7907 1 8 . 1 1 169 169 PRO CB C 159 32.300 32.300 31.012 1.288 18547 7908 1 8 . 1 1 170 170 SER N N 160 118.600 118.600 118.113 0.487 18547 7909 1 8 . 1 1 170 170 SER HA H 160 4.780 4.780 4.888 -0.108 18547 7910 1 8 . 1 1 170 170 SER CA C 160 56.200 56.200 56.757 -0.557 18547 7911 1 8 . 1 1 170 170 SER CB C 160 63.200 63.200 63.912 -0.712 18547 7912 1 8 . 1 1 170 170 SER H H 160 8.290 8.290 8.163 0.127 18547 7913 1 8 . 1 1 171 171 PRO HA H 161 4.350 4.350 4.406 -0.056 18547 7914 1 8 . 1 1 171 171 PRO C C 161 179.400 179.400 178.897 0.503 18547 7915 1 8 . 1 1 171 171 PRO CA C 161 65.500 65.500 64.820 0.680 18547 7916 1 8 . 1 1 171 171 PRO CB C 161 31.700 31.700 31.808 -0.108 18547 7917 1 8 . 1 1 172 172 GLU N N 162 118.300 118.300 119.339 -1.039 18547 7918 1 8 . 1 1 172 172 GLU HA H 162 4.160 4.160 4.075 0.084 18547 7919 1 8 . 1 1 172 172 GLU C C 162 178.300 178.300 178.932 -0.632 18547 7920 1 8 . 1 1 172 172 GLU CA C 162 59.300 59.300 59.718 -0.418 18547 7921 1 8 . 1 1 172 172 GLU CB C 162 29.400 29.400 29.011 0.389 18547 7922 1 8 . 1 1 172 172 GLU H H 162 8.540 8.540 8.670 -0.130 18547 7923 1 8 . 1 1 173 173 MET N N 163 119.400 119.400 117.621 1.779 18547 7924 1 8 . 1 1 173 173 MET HA H 163 4.260 4.260 4.125 0.135 18547 7925 1 8 . 1 1 173 173 MET C C 163 179.200 179.200 178.503 0.697 18547 7926 1 8 . 1 1 173 173 MET CA C 163 58.200 58.200 58.098 0.102 18547 7927 1 8 . 1 1 173 173 MET CB C 163 32.500 32.500 31.894 0.606 18547 7928 1 8 . 1 1 173 173 MET H H 163 7.830 7.830 8.153 -0.324 18547 7929 1 8 . 1 1 174 174 MET N N 164 119.300 119.300 117.440 1.860 18547 7930 1 8 . 1 1 174 174 MET HA H 164 4.260 4.260 4.059 0.201 18547 7931 1 8 . 1 1 174 174 MET C C 164 178.600 178.600 178.518 0.082 18547 7932 1 8 . 1 1 174 174 MET CA C 164 58.200 58.200 59.650 -1.450 18547 7933 1 8 . 1 1 174 174 MET CB C 164 31.900 31.900 32.125 -0.225 18547 7934 1 8 . 1 1 174 174 MET H H 164 8.320 8.320 8.242 0.078 18547 7935 1 8 . 1 1 175 175 ARG N N 165 121.200 121.200 120.545 0.655 18547 7936 1 8 . 1 1 175 175 ARG HA H 165 4.160 4.160 4.023 0.137 18547 7937 1 8 . 1 1 175 175 ARG C C 165 178.800 178.800 178.476 0.324 18547 7938 1 8 . 1 1 175 175 ARG CA C 165 59.400 59.400 59.507 -0.107 18547 7939 1 8 . 1 1 175 175 ARG CB C 165 29.900 29.900 30.227 -0.327 18547 7940 1 8 . 1 1 175 175 ARG H H 165 8.020 8.020 7.644 0.376 18547 7941 1 8 . 1 1 176 176 ILE N N 166 120.500 120.500 119.097 1.403 18547 7942 1 8 . 1 1 176 176 ILE HA H 166 3.920 3.920 3.750 0.170 18547 7943 1 8 . 1 1 176 176 ILE C C 166 178.500 178.500 178.477 0.023 18547 7944 1 8 . 1 1 176 176 ILE CA C 166 64.500 64.500 64.441 0.059 18547 7945 1 8 . 1 1 176 176 ILE CB C 166 37.900 37.900 36.715 1.185 18547 7946 1 8 . 1 1 176 176 ILE H H 166 8.110 8.110 8.560 -0.450 18547 7947 1 8 . 1 1 177 177 SER N N 167 116.300 116.300 115.299 1.001 18547 7948 1 8 . 1 1 177 177 SER HA H 167 4.240 4.240 4.197 0.043 18547 7949 1 8 . 1 1 177 177 SER C C 167 177.300 177.300 176.525 0.775 18547 7950 1 8 . 1 1 177 177 SER CA C 167 62.500 62.500 62.057 0.443 18547 7951 1 8 . 1 1 177 177 SER CB C 167 62.800 62.800 62.850 -0.050 18547 7952 1 8 . 1 1 177 177 SER H H 167 8.290 8.290 7.899 0.391 18547 7953 1 8 . 1 1 178 178 GLN N N 168 123.300 123.300 120.793 2.507 18547 7954 1 8 . 1 1 178 178 GLN HA H 168 4.110 4.110 3.984 0.126 18547 7955 1 8 . 1 1 178 178 GLN C C 168 178.600 178.600 178.092 0.508 18547 7956 1 8 . 1 1 178 178 GLN CA C 168 59.200 59.200 58.597 0.603 18547 7957 1 8 . 1 1 178 178 GLN CB C 168 28.000 28.000 28.208 -0.208 18547 7958 1 8 . 1 1 178 178 GLN H H 168 8.080 8.080 7.748 0.332 18547 7959 1 8 . 1 1 179 179 GLU N N 169 121.200 121.200 120.144 1.056 18547 7960 1 8 . 1 1 179 179 GLU HA H 169 4.090 4.090 3.950 0.140 18547 7961 1 8 . 1 1 179 179 GLU C C 169 180.500 180.500 179.430 1.070 18547 7962 1 8 . 1 1 179 179 GLU CA C 169 59.500 59.500 59.189 0.311 18547 7963 1 8 . 1 1 179 179 GLU CB C 169 29.700 29.700 28.842 0.858 18547 7964 1 8 . 1 1 179 179 GLU H H 169 8.380 8.380 8.270 0.110 18547 7965 1 8 . 1 1 180 180 ARG N N 170 120.800 120.800 117.671 3.129 18547 7966 1 8 . 1 1 180 180 ARG HA H 170 4.010 4.010 4.107 -0.097 18547 7967 1 8 . 1 1 180 180 ARG C C 170 178.100 178.100 179.091 -0.991 18547 7968 1 8 . 1 1 180 180 ARG CA C 170 59.900 59.900 58.666 1.234 18547 7969 1 8 . 1 1 180 180 ARG CB C 170 30.600 30.600 29.801 0.799 18547 7970 1 8 . 1 1 180 180 ARG H H 170 8.670 8.670 7.822 0.848 18547 7971 1 8 . 1 1 181 181 GLY N N 171 108.200 108.200 106.386 1.814 18547 7972 1 8 . 1 1 181 181 GLY C C 171 176.600 176.600 176.486 0.114 18547 7973 1 8 . 1 1 181 181 GLY CA C 171 47.800 47.800 46.324 1.476 18547 7974 1 8 . 1 1 181 181 GLY H H 171 8.550 8.550 8.217 0.333 18547 7975 1 8 . 1 1 182 182 GLU N N 172 121.900 121.900 122.481 -0.581 18547 7976 1 8 . 1 1 182 182 GLU HA H 172 4.110 4.110 4.131 -0.021 18547 7977 1 8 . 1 1 182 182 GLU C C 172 179.300 179.300 178.617 0.683 18547 7978 1 8 . 1 1 182 182 GLU CA C 172 59.300 59.300 59.049 0.251 18547 7979 1 8 . 1 1 182 182 GLU CB C 172 29.300 29.300 29.193 0.107 18547 7980 1 8 . 1 1 182 182 GLU H H 172 8.190 8.190 8.434 -0.244 18547 7981 1 8 . 1 1 183 183 ALA N N 173 123.500 123.500 121.852 1.648 18547 7982 1 8 . 1 1 183 183 ALA HA H 173 4.150 4.150 4.140 0.010 18547 7983 1 8 . 1 1 183 183 ALA C C 173 181.500 181.500 179.594 1.906 18547 7984 1 8 . 1 1 183 183 ALA CA C 173 55.000 55.000 54.584 0.416 18547 7985 1 8 . 1 1 183 183 ALA CB C 173 17.100 17.100 18.174 -1.074 18547 7986 1 8 . 1 1 183 183 ALA H H 173 7.800 7.800 7.628 0.172 18547 7987 1 8 . 1 1 184 184 TRP N N 174 118.100 118.100 119.351 -1.251 18547 7988 1 8 . 1 1 184 184 TRP HA H 174 4.540 4.540 4.193 0.347 18547 7989 1 8 . 1 1 184 184 TRP C C 174 178.500 178.500 177.953 0.547 18547 7990 1 8 . 1 1 184 184 TRP CA C 174 60.600 60.600 59.978 0.621 18547 7991 1 8 . 1 1 184 184 TRP CB C 174 30.800 30.800 29.250 1.550 18547 7992 1 8 . 1 1 184 184 TRP H H 174 8.400 8.400 7.686 0.714 18547 7993 1 8 . 1 1 185 185 ALA N N 175 121.700 121.700 122.161 -0.461 18547 7994 1 8 . 1 1 185 185 ALA HA H 175 3.920 3.920 3.778 0.142 18547 7995 1 8 . 1 1 185 185 ALA C C 175 179.600 179.600 178.521 1.079 18547 7996 1 8 . 1 1 185 185 ALA CA C 175 55.600 55.600 54.732 0.868 18547 7997 1 8 . 1 1 185 185 ALA CB C 175 17.900 17.900 17.782 0.118 18547 7998 1 8 . 1 1 185 185 ALA H H 175 8.800 8.800 7.868 0.932 18547 7999 1 8 . 1 1 186 186 ALA N N 176 119.000 119.000 120.729 -1.729 18547 8000 1 8 . 1 1 186 186 ALA HA H 176 4.190 4.190 4.066 0.124 18547 8001 1 8 . 1 1 186 186 ALA C C 176 180.300 180.300 179.496 0.804 18547 8002 1 8 . 1 1 186 186 ALA CA C 176 54.800 54.800 54.567 0.233 18547 8003 1 8 . 1 1 186 186 ALA CB C 176 17.900 17.900 18.357 -0.457 18547 8004 1 8 . 1 1 186 186 ALA H H 176 7.860 7.860 7.410 0.450 18547 8005 1 8 . 1 1 187 187 LEU N N 177 118.500 118.500 118.209 0.291 18547 8006 1 8 . 1 1 187 187 LEU HA H 177 4.210 4.210 4.044 0.166 18547 8007 1 8 . 1 1 187 187 LEU C C 177 179.400 179.400 178.983 0.417 18547 8008 1 8 . 1 1 187 187 LEU CA C 177 57.600 57.600 57.371 0.229 18547 8009 1 8 . 1 1 187 187 LEU CB C 177 42.700 42.700 42.059 0.641 18547 8010 1 8 . 1 1 187 187 LEU H H 177 7.460 7.460 7.707 -0.247 18547 8011 1 8 . 1 1 188 188 VAL N N 178 118.500 118.500 117.652 0.848 18547 8012 1 8 . 1 1 188 188 VAL HA H 178 3.660 3.660 3.764 -0.104 18547 8013 1 8 . 1 1 188 188 VAL C C 178 177.600 177.600 176.771 0.829 18547 8014 1 8 . 1 1 188 188 VAL CA C 178 66.000 66.000 64.184 1.816 18547 8015 1 8 . 1 1 188 188 VAL CB C 178 32.400 32.400 31.482 0.918 18547 8016 1 8 . 1 1 188 188 VAL H H 178 8.640 8.640 7.858 0.782 18547 8017 1 8 . 1 1 189 189 HIS N N 179 116.000 116.000 116.464 -0.464 18547 8018 1 8 . 1 1 189 189 HIS HA H 179 4.780 4.780 4.471 0.309 18547 8019 1 8 . 1 1 189 189 HIS C C 179 175.300 175.300 176.139 -0.839 18547 8020 1 8 . 1 1 189 189 HIS CA C 179 56.200 56.200 57.416 -1.216 18547 8021 1 8 . 1 1 189 189 HIS CB C 179 28.500 28.500 29.839 -1.339 18547 8022 1 8 . 1 1 189 189 HIS H H 179 8.150 8.150 7.357 0.793 18547 8023 1 8 . 1 1 190 190 SER N N 180 115.000 115.000 115.691 -0.691 18547 8024 1 8 . 1 1 190 190 SER HA H 180 4.480 4.480 4.302 0.178 18547 8025 1 8 . 1 1 190 190 SER C C 180 175.100 175.100 174.232 0.868 18547 8026 1 8 . 1 1 190 190 SER CA C 180 59.500 59.500 59.789 -0.289 18547 8027 1 8 . 1 1 190 190 SER CB C 180 64.000 64.000 62.027 1.973 18547 8028 1 8 . 1 1 190 190 SER H H 180 7.820 7.820 7.755 0.065 18547 8029 1 8 . 1 1 191 191 GLY N N 181 111.100 111.100 111.869 -0.769 18547 8030 1 8 . 1 1 191 191 GLY C C 181 173.400 173.400 173.412 -0.012 18547 8031 1 8 . 1 1 191 191 GLY CA C 181 45.500 45.500 44.892 0.607 18547 8032 1 8 . 1 1 191 191 GLY H H 181 8.330 8.330 8.174 0.156 18547 8033 1 9 . 1 1 12 12 ALA N N 2 125.600 125.600 123.496 2.104 18547 8034 1 9 . 1 1 12 12 ALA HA H 2 4.300 4.300 4.736 -0.436 18547 8035 1 9 . 1 1 12 12 ALA C C 2 177.600 177.600 177.172 0.428 18547 8036 1 9 . 1 1 12 12 ALA CA C 2 52.600 52.600 51.284 1.316 18547 8037 1 9 . 1 1 12 12 ALA CB C 2 19.200 19.200 20.525 -1.325 18547 8038 1 9 . 1 1 12 12 ALA H H 2 8.380 8.380 8.300 0.080 18547 8039 1 9 . 1 1 13 13 SER N N 3 115.000 115.000 116.824 -1.824 18547 8040 1 9 . 1 1 13 13 SER HA H 3 4.390 4.390 4.390 -0.000 18547 8041 1 9 . 1 1 13 13 SER C C 3 175.100 175.100 174.568 0.532 18547 8042 1 9 . 1 1 13 13 SER CA C 3 58.500 58.500 58.876 -0.376 18547 8043 1 9 . 1 1 13 13 SER CB C 3 63.800 63.800 62.596 1.204 18547 8044 1 9 . 1 1 13 13 SER H H 3 8.250 8.250 8.504 -0.254 18547 8045 1 9 . 1 1 14 14 GLY N N 4 110.700 110.700 111.679 -0.979 18547 8046 1 9 . 1 1 14 14 GLY C C 4 174.000 174.000 174.257 -0.257 18547 8047 1 9 . 1 1 14 14 GLY CA C 4 45.400 45.400 44.646 0.754 18547 8048 1 9 . 1 1 14 14 GLY H H 4 8.390 8.390 8.017 0.373 18547 8049 1 9 . 1 1 15 15 GLN N N 5 120.100 120.100 127.306 -7.206 18547 8050 1 9 . 1 1 15 15 GLN HA H 5 4.310 4.310 4.139 0.171 18547 8051 1 9 . 1 1 15 15 GLN C C 5 175.500 175.500 174.706 0.794 18547 8052 1 9 . 1 1 15 15 GLN CA C 5 55.600 55.600 54.683 0.917 18547 8053 1 9 . 1 1 15 15 GLN CB C 5 29.700 29.700 26.276 3.424 18547 8054 1 9 . 1 1 15 15 GLN H H 5 8.190 8.190 8.593 -0.403 18547 8055 1 9 . 1 1 16 16 ALA N N 6 126.000 126.000 125.814 0.186 18547 8056 1 9 . 1 1 16 16 ALA HA H 6 4.360 4.360 4.346 0.014 18547 8057 1 9 . 1 1 16 16 ALA C C 6 177.300 177.300 177.148 0.152 18547 8058 1 9 . 1 1 16 16 ALA CA C 6 52.300 52.300 52.611 -0.311 18547 8059 1 9 . 1 1 16 16 ALA CB C 6 19.200 19.200 19.297 -0.097 18547 8060 1 9 . 1 1 16 16 ALA H H 6 8.400 8.400 7.877 0.523 18547 8061 1 9 . 1 1 17 17 THR N N 7 119.200 119.200 116.103 3.097 18547 8062 1 9 . 1 1 17 17 THR HA H 7 4.370 4.370 4.621 -0.251 18547 8063 1 9 . 1 1 17 17 THR C C 7 173.600 173.600 174.146 -0.546 18547 8064 1 9 . 1 1 17 17 THR CA C 7 63.200 63.200 62.864 0.336 18547 8065 1 9 . 1 1 17 17 THR CB C 7 70.600 70.600 68.212 2.389 18547 8066 1 9 . 1 1 17 17 THR H H 7 8.180 8.180 7.600 0.580 18547 8067 1 9 . 1 1 18 18 GLU N N 8 127.500 127.500 127.438 0.062 18547 8068 1 9 . 1 1 18 18 GLU HA H 8 4.540 4.540 4.432 0.108 18547 8069 1 9 . 1 1 18 18 GLU C C 8 174.200 174.200 175.238 -1.038 18547 8070 1 9 . 1 1 18 18 GLU CA C 8 55.100 55.100 55.666 -0.566 18547 8071 1 9 . 1 1 18 18 GLU CB C 8 31.900 31.900 31.552 0.348 18547 8072 1 9 . 1 1 18 18 GLU H H 8 8.810 8.810 8.547 0.263 18547 8073 1 9 . 1 1 19 19 ARG N N 9 122.100 122.100 125.089 -2.989 18547 8074 1 9 . 1 1 19 19 ARG HA H 9 5.060 5.060 4.490 0.570 18547 8075 1 9 . 1 1 19 19 ARG C C 9 175.000 175.000 174.998 0.002 18547 8076 1 9 . 1 1 19 19 ARG CA C 9 54.800 54.800 55.763 -0.963 18547 8077 1 9 . 1 1 19 19 ARG CB C 9 31.600 31.600 31.473 0.127 18547 8078 1 9 . 1 1 19 19 ARG H H 9 8.070 8.070 8.579 -0.509 18547 8079 1 9 . 1 1 20 20 ALA N N 10 126.300 126.300 128.644 -2.344 18547 8080 1 9 . 1 1 20 20 ALA HA H 10 4.640 4.640 4.723 -0.083 18547 8081 1 9 . 1 1 20 20 ALA C C 10 173.800 173.800 174.639 -0.839 18547 8082 1 9 . 1 1 20 20 ALA CA C 10 51.100 51.100 51.495 -0.396 18547 8083 1 9 . 1 1 20 20 ALA CB C 10 22.800 22.800 22.262 0.538 18547 8084 1 9 . 1 1 20 20 ALA H H 10 9.390 9.390 8.584 0.806 18547 8085 1 9 . 1 1 21 21 LEU N N 11 117.500 117.500 119.512 -2.012 18547 8086 1 9 . 1 1 21 21 LEU HA H 11 5.790 5.790 5.106 0.684 18547 8087 1 9 . 1 1 21 21 LEU C C 11 178.100 178.100 175.924 2.176 18547 8088 1 9 . 1 1 21 21 LEU CA C 11 53.100 53.100 54.006 -0.906 18547 8089 1 9 . 1 1 21 21 LEU CB C 11 45.400 45.400 46.429 -1.029 18547 8090 1 9 . 1 1 21 21 LEU H H 11 8.280 8.280 8.401 -0.121 18547 8091 1 9 . 1 1 22 22 GLY N N 12 113.400 113.400 109.694 3.706 18547 8092 1 9 . 1 1 22 22 GLY C C 12 174.800 174.800 172.484 2.316 18547 8093 1 9 . 1 1 22 22 GLY CA C 12 44.500 44.500 45.961 -1.461 18547 8094 1 9 . 1 1 22 22 GLY H H 12 8.830 8.830 8.812 0.018 18547 8095 1 9 . 1 1 23 23 ARG N N 13 119.600 119.600 120.052 -0.452 18547 8096 1 9 . 1 1 23 23 ARG HA H 13 5.040 5.040 4.711 0.329 18547 8097 1 9 . 1 1 23 23 ARG C C 13 174.900 174.900 173.641 1.259 18547 8098 1 9 . 1 1 23 23 ARG CA C 13 55.800 55.800 55.070 0.730 18547 8099 1 9 . 1 1 23 23 ARG CB C 13 33.600 33.600 33.538 0.062 18547 8100 1 9 . 1 1 23 23 ARG H H 13 8.160 8.160 8.420 -0.260 18547 8101 1 9 . 1 1 24 24 ARG N N 14 121.900 121.900 117.798 4.102 18547 8102 1 9 . 1 1 24 24 ARG HA H 14 4.530 4.530 4.597 -0.067 18547 8103 1 9 . 1 1 24 24 ARG C C 14 174.000 174.000 174.662 -0.662 18547 8104 1 9 . 1 1 24 24 ARG CA C 14 55.200 55.200 55.656 -0.456 18547 8105 1 9 . 1 1 24 24 ARG CB C 14 34.700 34.700 32.871 1.829 18547 8106 1 9 . 1 1 24 24 ARG H H 14 8.780 8.780 8.672 0.108 18547 8107 1 9 . 1 1 25 25 THR N N 15 121.700 121.700 118.461 3.239 18547 8108 1 9 . 1 1 25 25 THR HA H 15 4.420 4.420 4.518 -0.098 18547 8109 1 9 . 1 1 25 25 THR C C 15 173.700 173.700 174.507 -0.807 18547 8110 1 9 . 1 1 25 25 THR CA C 15 63.600 63.600 62.711 0.889 18547 8111 1 9 . 1 1 25 25 THR CB C 15 68.600 68.600 69.474 -0.874 18547 8112 1 9 . 1 1 25 25 THR H H 15 8.800 8.800 8.421 0.379 18547 8113 1 9 . 1 1 26 26 ILE N N 16 124.200 124.200 118.400 5.800 18547 8114 1 9 . 1 1 26 26 ILE HA H 16 4.940 4.940 4.871 0.069 18547 8115 1 9 . 1 1 26 26 ILE CA C 16 59.300 59.300 57.677 1.623 18547 8116 1 9 . 1 1 26 26 ILE CB C 16 38.200 38.200 39.314 -1.114 18547 8117 1 9 . 1 1 26 26 ILE H H 16 8.420 8.420 8.282 0.138 18547 8118 1 9 . 1 1 27 27 PRO HA H 17 4.180 4.180 4.226 -0.046 18547 8119 1 9 . 1 1 27 27 PRO C C 17 178.100 178.100 176.619 1.481 18547 8120 1 9 . 1 1 27 27 PRO CA C 17 67.200 67.200 65.728 1.472 18547 8121 1 9 . 1 1 27 27 PRO CB C 17 30.700 30.700 31.485 -0.785 18547 8122 1 9 . 1 1 28 28 ALA N N 18 114.800 114.800 117.748 -2.948 18547 8123 1 9 . 1 1 28 28 ALA HA H 18 4.270 4.270 4.261 0.009 18547 8124 1 9 . 1 1 28 28 ALA C C 18 177.000 177.000 177.006 -0.006 18547 8125 1 9 . 1 1 28 28 ALA CA C 18 53.100 53.100 52.270 0.830 18547 8126 1 9 . 1 1 28 28 ALA CB C 18 19.500 19.500 19.781 -0.281 18547 8127 1 9 . 1 1 28 28 ALA H H 18 8.060 8.060 7.740 0.320 18547 8128 1 9 . 1 1 29 29 GLY N N 19 107.100 107.100 105.883 1.217 18547 8129 1 9 . 1 1 29 29 GLY C C 19 171.900 171.900 171.677 0.223 18547 8130 1 9 . 1 1 29 29 GLY CA C 19 44.000 44.000 44.621 -0.621 18547 8131 1 9 . 1 1 29 29 GLY H H 19 8.140 8.140 7.447 0.693 18547 8132 1 9 . 1 1 30 30 GLU N N 20 120.000 120.000 118.372 1.628 18547 8133 1 9 . 1 1 30 30 GLU HA H 20 4.320 4.320 4.538 -0.218 18547 8134 1 9 . 1 1 30 30 GLU C C 20 175.600 175.600 175.269 0.331 18547 8135 1 9 . 1 1 30 30 GLU CA C 20 57.300 57.300 55.552 1.748 18547 8136 1 9 . 1 1 30 30 GLU CB C 20 29.100 29.100 29.431 -0.331 18547 8137 1 9 . 1 1 30 30 GLU H H 20 8.380 8.380 8.550 -0.170 18547 8138 1 9 . 1 1 31 31 ALA N N 21 129.500 129.500 128.349 1.151 18547 8139 1 9 . 1 1 31 31 ALA HA H 21 4.610 4.610 4.453 0.157 18547 8140 1 9 . 1 1 31 31 ALA C C 21 177.200 177.200 176.818 0.382 18547 8141 1 9 . 1 1 31 31 ALA CA C 21 51.200 51.200 51.204 -0.004 18547 8142 1 9 . 1 1 31 31 ALA CB C 21 22.500 22.500 20.948 1.552 18547 8143 1 9 . 1 1 31 31 ALA H H 21 8.660 8.660 8.114 0.546 18547 8144 1 9 . 1 1 32 32 ARG N N 22 120.400 120.400 120.191 0.209 18547 8145 1 9 . 1 1 32 32 ARG HA H 22 4.950 4.950 4.519 0.431 18547 8146 1 9 . 1 1 32 32 ARG C C 22 173.400 173.400 175.625 -2.225 18547 8147 1 9 . 1 1 32 32 ARG CA C 22 55.500 55.500 54.208 1.292 18547 8148 1 9 . 1 1 32 32 ARG CB C 22 32.500 32.500 32.705 -0.205 18547 8149 1 9 . 1 1 32 32 ARG H H 22 8.090 8.090 8.041 0.049 18547 8150 1 9 . 1 1 33 33 SER N N 23 113.800 113.800 114.014 -0.214 18547 8151 1 9 . 1 1 33 33 SER HA H 23 5.560 5.560 5.312 0.248 18547 8152 1 9 . 1 1 33 33 SER C C 23 174.500 174.500 173.650 0.850 18547 8153 1 9 . 1 1 33 33 SER CA C 23 55.600 55.600 57.049 -1.449 18547 8154 1 9 . 1 1 33 33 SER CB C 23 67.300 67.300 66.129 1.171 18547 8155 1 9 . 1 1 33 33 SER H H 23 8.080 8.080 8.400 -0.320 18547 8156 1 9 . 1 1 34 34 ILE N N 24 112.700 112.700 118.423 -5.723 18547 8157 1 9 . 1 1 34 34 ILE HA H 24 4.950 4.950 4.525 0.425 18547 8158 1 9 . 1 1 34 34 ILE C C 24 175.400 175.400 174.523 0.877 18547 8159 1 9 . 1 1 34 34 ILE CA C 24 58.300 58.300 60.491 -2.191 18547 8160 1 9 . 1 1 34 34 ILE CB C 24 39.900 39.900 38.793 1.107 18547 8161 1 9 . 1 1 34 34 ILE H H 24 7.980 7.980 8.169 -0.189 18547 8162 1 9 . 1 1 35 35 ILE N N 25 121.800 121.800 126.184 -4.384 18547 8163 1 9 . 1 1 35 35 ILE HA H 25 4.960 4.960 4.611 0.349 18547 8164 1 9 . 1 1 35 35 ILE C C 25 174.800 174.800 174.857 -0.057 18547 8165 1 9 . 1 1 35 35 ILE CA C 25 60.700 60.700 59.971 0.729 18547 8166 1 9 . 1 1 35 35 ILE CB C 25 41.300 41.300 39.813 1.487 18547 8167 1 9 . 1 1 35 35 ILE H H 25 8.960 8.960 8.163 0.797 18547 8168 1 9 . 1 1 36 36 ILE N N 26 127.900 127.900 128.551 -0.651 18547 8169 1 9 . 1 1 36 36 ILE HA H 26 4.770 4.770 4.576 0.194 18547 8170 1 9 . 1 1 36 36 ILE C C 26 175.000 175.000 174.977 0.023 18547 8171 1 9 . 1 1 36 36 ILE CA C 26 59.900 59.900 60.732 -0.832 18547 8172 1 9 . 1 1 36 36 ILE CB C 26 42.100 42.100 38.267 3.833 18547 8173 1 9 . 1 1 36 36 ILE H H 26 9.210 9.210 8.476 0.734 18547 8174 1 9 . 1 1 37 37 ARG N N 27 124.100 124.100 127.403 -3.303 18547 8175 1 9 . 1 1 37 37 ARG HA H 27 5.850 5.850 5.633 0.217 18547 8176 1 9 . 1 1 37 37 ARG C C 27 176.200 176.200 175.734 0.466 18547 8177 1 9 . 1 1 37 37 ARG CA C 27 54.100 54.100 54.384 -0.284 18547 8178 1 9 . 1 1 37 37 ARG CB C 27 32.900 32.900 32.650 0.250 18547 8179 1 9 . 1 1 37 37 ARG H H 27 8.670 8.670 8.733 -0.063 18547 8180 1 9 . 1 1 38 38 GLN N N 28 122.900 122.900 120.846 2.054 18547 8181 1 9 . 1 1 38 38 GLN HA H 28 4.710 4.710 5.037 -0.327 18547 8182 1 9 . 1 1 38 38 GLN C C 28 173.200 173.200 174.890 -1.690 18547 8183 1 9 . 1 1 38 38 GLN CA C 28 54.400 54.400 54.782 -0.382 18547 8184 1 9 . 1 1 38 38 GLN CB C 28 35.200 35.200 33.103 2.097 18547 8185 1 9 . 1 1 38 38 GLN H H 28 9.310 9.310 8.671 0.639 18547 8186 1 9 . 1 1 39 39 ARG N N 29 121.400 121.400 123.127 -1.727 18547 8187 1 9 . 1 1 39 39 ARG HA H 29 5.260 5.260 4.880 0.380 18547 8188 1 9 . 1 1 39 39 ARG C C 29 175.400 175.400 175.686 -0.286 18547 8189 1 9 . 1 1 39 39 ARG CA C 29 55.100 55.100 54.241 0.859 18547 8190 1 9 . 1 1 39 39 ARG CB C 29 32.500 32.500 29.845 2.655 18547 8191 1 9 . 1 1 39 39 ARG H H 29 8.510 8.510 8.089 0.421 18547 8192 1 9 . 1 1 40 40 TYR N N 30 120.000 120.000 124.596 -4.596 18547 8193 1 9 . 1 1 40 40 TYR HA H 30 4.600 4.600 4.407 0.193 18547 8194 1 9 . 1 1 40 40 TYR C C 30 175.600 175.600 175.601 -0.001 18547 8195 1 9 . 1 1 40 40 TYR CA C 30 56.900 56.900 58.226 -1.326 18547 8196 1 9 . 1 1 40 40 TYR CB C 30 42.700 42.700 39.670 3.030 18547 8197 1 9 . 1 1 40 40 TYR H H 30 9.140 9.140 8.958 0.182 18547 8198 1 9 . 1 1 41 41 ASP N N 31 126.400 126.400 124.647 1.753 18547 8199 1 9 . 1 1 41 41 ASP HA H 31 4.880 4.880 4.569 0.311 18547 8200 1 9 . 1 1 41 41 ASP C C 31 174.500 174.500 175.016 -0.516 18547 8201 1 9 . 1 1 41 41 ASP CA C 31 53.200 53.200 53.913 -0.712 18547 8202 1 9 . 1 1 41 41 ASP CB C 31 39.200 39.200 39.966 -0.766 18547 8203 1 9 . 1 1 41 41 ASP H H 31 9.140 9.140 8.898 0.242 18547 8204 1 9 . 1 1 42 42 ALA N N 32 123.100 123.100 123.309 -0.209 18547 8205 1 9 . 1 1 42 42 ALA HA H 32 4.690 4.690 4.793 -0.103 18547 8206 1 9 . 1 1 42 42 ALA CA C 32 50.100 50.100 49.642 0.458 18547 8207 1 9 . 1 1 42 42 ALA CB C 32 20.200 20.200 21.252 -1.052 18547 8208 1 9 . 1 1 42 42 ALA H H 32 7.770 7.770 7.668 0.102 18547 8209 1 9 . 1 1 43 43 PRO HA H 33 4.650 4.650 4.599 0.051 18547 8210 1 9 . 1 1 43 43 PRO C C 33 178.100 178.100 177.500 0.600 18547 8211 1 9 . 1 1 43 43 PRO CA C 33 62.000 62.000 62.658 -0.658 18547 8212 1 9 . 1 1 43 43 PRO CB C 33 33.000 33.000 33.231 -0.231 18547 8213 1 9 . 1 1 44 44 VAL N N 34 123.500 123.500 118.992 4.508 18547 8214 1 9 . 1 1 44 44 VAL HA H 34 3.960 3.960 3.727 0.233 18547 8215 1 9 . 1 1 44 44 VAL C C 34 177.500 177.500 177.446 0.054 18547 8216 1 9 . 1 1 44 44 VAL CA C 34 66.000 66.000 66.407 -0.407 18547 8217 1 9 . 1 1 44 44 VAL CB C 34 32.000 32.000 31.802 0.198 18547 8218 1 9 . 1 1 44 44 VAL H H 34 8.570 8.570 8.635 -0.065 18547 8219 1 9 . 1 1 45 45 ASP N N 35 116.200 116.200 119.125 -2.925 18547 8220 1 9 . 1 1 45 45 ASP HA H 35 4.290 4.290 4.307 -0.017 18547 8221 1 9 . 1 1 45 45 ASP C C 35 178.800 178.800 178.272 0.528 18547 8222 1 9 . 1 1 45 45 ASP CA C 35 57.500 57.500 57.241 0.259 18547 8223 1 9 . 1 1 45 45 ASP CB C 35 40.400 40.400 39.590 0.810 18547 8224 1 9 . 1 1 45 45 ASP H H 35 8.520 8.520 8.556 -0.036 18547 8225 1 9 . 1 1 46 46 GLU N N 36 120.100 120.100 121.551 -1.451 18547 8226 1 9 . 1 1 46 46 GLU HA H 36 4.260 4.260 4.179 0.081 18547 8227 1 9 . 1 1 46 46 GLU C C 36 179.000 179.000 178.891 0.109 18547 8228 1 9 . 1 1 46 46 GLU CA C 36 58.400 58.400 58.964 -0.564 18547 8229 1 9 . 1 1 46 46 GLU CB C 36 29.700 29.700 29.222 0.478 18547 8230 1 9 . 1 1 46 46 GLU H H 36 7.360 7.360 7.993 -0.633 18547 8231 1 9 . 1 1 47 47 VAL N N 37 121.800 121.800 119.759 2.041 18547 8232 1 9 . 1 1 47 47 VAL HA H 37 3.370 3.370 3.584 -0.214 18547 8233 1 9 . 1 1 47 47 VAL C C 37 177.100 177.100 177.909 -0.809 18547 8234 1 9 . 1 1 47 47 VAL CA C 37 66.900 66.900 66.337 0.563 18547 8235 1 9 . 1 1 47 47 VAL CB C 37 31.000 31.000 30.727 0.272 18547 8236 1 9 . 1 1 47 47 VAL H H 37 7.680 7.680 7.917 -0.237 18547 8237 1 9 . 1 1 48 48 TRP N N 38 119.800 119.800 120.685 -0.885 18547 8238 1 9 . 1 1 48 48 TRP HA H 38 3.990 3.990 4.213 -0.223 18547 8239 1 9 . 1 1 48 48 TRP C C 38 180.700 180.700 178.959 1.741 18547 8240 1 9 . 1 1 48 48 TRP CA C 38 60.900 60.900 60.466 0.434 18547 8241 1 9 . 1 1 48 48 TRP CB C 38 29.300 29.300 29.141 0.159 18547 8242 1 9 . 1 1 48 48 TRP H H 38 9.160 9.160 8.305 0.855 18547 8243 1 9 . 1 1 49 49 SER N N 39 116.100 116.100 116.093 0.007 18547 8244 1 9 . 1 1 49 49 SER HA H 39 4.010 4.010 4.085 -0.075 18547 8245 1 9 . 1 1 49 49 SER C C 39 175.700 175.700 176.756 -1.056 18547 8246 1 9 . 1 1 49 49 SER CA C 39 62.700 62.700 61.423 1.277 18547 8247 1 9 . 1 1 49 49 SER CB C 39 62.700 62.700 62.993 -0.293 18547 8248 1 9 . 1 1 49 49 SER H H 39 8.230 8.230 8.059 0.171 18547 8249 1 9 . 1 1 50 50 ALA N N 40 122.300 122.300 123.272 -0.972 18547 8250 1 9 . 1 1 50 50 ALA HA H 40 4.020 4.020 4.164 -0.144 18547 8251 1 9 . 1 1 50 50 ALA C C 40 176.700 176.700 178.887 -2.187 18547 8252 1 9 . 1 1 50 50 ALA CA C 40 55.200 55.200 55.136 0.064 18547 8253 1 9 . 1 1 50 50 ALA CB C 40 18.800 18.800 18.531 0.269 18547 8254 1 9 . 1 1 50 50 ALA H H 40 7.770 7.770 8.227 -0.457 18547 8255 1 9 . 1 1 51 51 CYS N N 41 109.400 109.400 113.890 -4.490 18547 8256 1 9 . 1 1 51 51 CYS HA H 41 4.510 4.510 4.535 -0.025 18547 8257 1 9 . 1 1 51 51 CYS C C 41 172.200 172.200 175.813 -3.613 18547 8258 1 9 . 1 1 51 51 CYS CA C 41 61.100 61.100 60.643 0.457 18547 8259 1 9 . 1 1 51 51 CYS CB C 41 29.800 29.800 27.449 2.351 18547 8260 1 9 . 1 1 51 51 CYS H H 41 7.080 7.080 7.819 -0.739 18547 8261 1 9 . 1 1 52 52 THR N N 42 100.100 100.100 112.803 -12.703 18547 8262 1 9 . 1 1 52 52 THR HA H 42 4.240 4.240 4.178 0.062 18547 8263 1 9 . 1 1 52 52 THR C C 42 173.500 173.500 174.733 -1.233 18547 8264 1 9 . 1 1 52 52 THR CA C 42 62.200 62.200 61.490 0.710 18547 8265 1 9 . 1 1 52 52 THR CB C 42 71.800 71.800 69.552 2.248 18547 8266 1 9 . 1 1 52 52 THR H H 42 6.800 6.800 7.470 -0.670 18547 8267 1 9 . 1 1 53 53 ASP N N 43 123.000 123.000 124.813 -1.813 18547 8268 1 9 . 1 1 53 53 ASP HA H 43 5.080 5.080 4.778 0.302 18547 8269 1 9 . 1 1 53 53 ASP CA C 43 50.600 50.600 52.454 -1.854 18547 8270 1 9 . 1 1 53 53 ASP CB C 43 42.000 42.000 42.648 -0.648 18547 8271 1 9 . 1 1 53 53 ASP H H 43 8.040 8.040 7.807 0.233 18547 8272 1 9 . 1 1 54 54 PRO HA H 44 3.960 3.960 4.263 -0.302 18547 8273 1 9 . 1 1 54 54 PRO C C 44 176.300 176.300 177.921 -1.621 18547 8274 1 9 . 1 1 54 54 PRO CA C 44 65.900 65.900 65.019 0.881 18547 8275 1 9 . 1 1 54 54 PRO CB C 44 32.700 32.700 32.229 0.471 18547 8276 1 9 . 1 1 55 55 ASN N N 45 112.700 112.700 117.114 -4.414 18547 8277 1 9 . 1 1 55 55 ASN HA H 45 4.520 4.520 4.484 0.036 18547 8278 1 9 . 1 1 55 55 ASN C C 45 175.900 175.900 177.516 -1.616 18547 8279 1 9 . 1 1 55 55 ASN CA C 45 55.100 55.100 56.531 -1.431 18547 8280 1 9 . 1 1 55 55 ASN CB C 45 38.900 38.900 38.130 0.770 18547 8281 1 9 . 1 1 55 55 ASN H H 45 8.160 8.160 8.511 -0.351 18547 8282 1 9 . 1 1 56 56 ARG N N 46 117.700 117.700 118.858 -1.158 18547 8283 1 9 . 1 1 56 56 ARG HA H 46 4.250 4.250 4.459 -0.209 18547 8284 1 9 . 1 1 56 56 ARG C C 46 177.100 177.100 178.814 -1.714 18547 8285 1 9 . 1 1 56 56 ARG CA C 46 58.400 58.400 58.634 -0.234 18547 8286 1 9 . 1 1 56 56 ARG CB C 46 31.800 31.800 30.497 1.303 18547 8287 1 9 . 1 1 56 56 ARG H H 46 7.940 7.940 8.096 -0.156 18547 8288 1 9 . 1 1 57 57 ILE N N 47 120.100 120.100 119.655 0.445 18547 8289 1 9 . 1 1 57 57 ILE HA H 47 3.420 3.420 4.022 -0.602 18547 8290 1 9 . 1 1 57 57 ILE C C 47 177.400 177.400 176.857 0.543 18547 8291 1 9 . 1 1 57 57 ILE CA C 47 64.400 64.400 62.695 1.705 18547 8292 1 9 . 1 1 57 57 ILE CB C 47 39.500 39.500 37.543 1.957 18547 8293 1 9 . 1 1 57 57 ILE H H 47 8.610 8.610 7.672 0.938 18547 8294 1 9 . 1 1 58 58 ASN N N 48 112.100 112.100 116.379 -4.279 18547 8295 1 9 . 1 1 58 58 ASN HA H 48 3.780 3.780 4.557 -0.777 18547 8296 1 9 . 1 1 58 58 ASN C C 48 175.300 175.300 176.338 -1.038 18547 8297 1 9 . 1 1 58 58 ASN CA C 48 54.400 54.400 54.470 -0.070 18547 8298 1 9 . 1 1 58 58 ASN CB C 48 38.200 38.200 38.364 -0.164 18547 8299 1 9 . 1 1 58 58 ASN H H 48 7.440 7.440 7.975 -0.535 18547 8300 1 9 . 1 1 59 59 ARG N N 49 115.600 115.600 118.192 -2.592 18547 8301 1 9 . 1 1 59 59 ARG HA H 49 4.120 4.120 4.265 -0.145 18547 8302 1 9 . 1 1 59 59 ARG C C 49 174.700 174.700 175.872 -1.172 18547 8303 1 9 . 1 1 59 59 ARG CA C 49 55.900 55.900 56.827 -0.926 18547 8304 1 9 . 1 1 59 59 ARG CB C 49 29.900 29.900 29.155 0.745 18547 8305 1 9 . 1 1 59 59 ARG H H 49 7.370 7.370 7.651 -0.281 18547 8306 1 9 . 1 1 60 60 TRP N N 50 112.500 112.500 116.880 -4.380 18547 8307 1 9 . 1 1 60 60 TRP HA H 50 4.860 4.860 4.786 0.074 18547 8308 1 9 . 1 1 60 60 TRP C C 50 173.400 173.400 174.934 -1.534 18547 8309 1 9 . 1 1 60 60 TRP CA C 50 55.800 55.800 57.323 -1.523 18547 8310 1 9 . 1 1 60 60 TRP CB C 50 31.500 31.500 29.955 1.545 18547 8311 1 9 . 1 1 60 60 TRP H H 50 6.860 6.860 7.327 -0.467 18547 8312 1 9 . 1 1 61 61 PHE N N 51 126.400 126.400 119.483 6.917 18547 8313 1 9 . 1 1 61 61 PHE HA H 51 4.690 4.690 4.670 0.020 18547 8314 1 9 . 1 1 61 61 PHE C C 51 173.000 173.000 174.341 -1.341 18547 8315 1 9 . 1 1 61 61 PHE CA C 51 55.000 55.000 55.648 -0.648 18547 8316 1 9 . 1 1 61 61 PHE CB C 51 37.600 37.600 41.713 -4.113 18547 8317 1 9 . 1 1 61 61 PHE H H 51 7.830 7.830 6.925 0.905 18547 8318 1 9 . 1 1 62 62 ILE N N 52 126.800 126.800 121.508 5.292 18547 8319 1 9 . 1 1 62 62 ILE HA H 52 3.760 3.760 3.995 -0.235 18547 8320 1 9 . 1 1 62 62 ILE C C 52 172.600 172.600 174.886 -2.286 18547 8321 1 9 . 1 1 62 62 ILE CA C 52 59.900 59.900 60.898 -0.998 18547 8322 1 9 . 1 1 62 62 ILE CB C 52 41.600 41.600 37.946 3.654 18547 8323 1 9 . 1 1 62 62 ILE H H 52 6.010 6.010 7.314 -1.304 18547 8324 1 9 . 1 1 63 63 GLU N N 53 124.400 124.400 128.107 -3.707 18547 8325 1 9 . 1 1 63 63 GLU HA H 53 3.850 3.850 4.407 -0.557 18547 8326 1 9 . 1 1 63 63 GLU CA C 53 54.800 54.800 53.485 1.315 18547 8327 1 9 . 1 1 63 63 GLU CB C 53 31.700 31.700 29.220 2.480 18547 8328 1 9 . 1 1 63 63 GLU H H 53 8.280 8.280 8.499 -0.219 18547 8329 1 9 . 1 1 64 64 PRO HA H 54 4.920 4.920 4.622 0.298 18547 8330 1 9 . 1 1 64 64 PRO C C 54 175.500 175.500 176.048 -0.548 18547 8331 1 9 . 1 1 64 64 PRO CA C 54 62.000 62.000 62.873 -0.873 18547 8332 1 9 . 1 1 64 64 PRO CB C 54 31.800 31.800 31.585 0.215 18547 8333 1 9 . 1 1 65 65 LYS N N 55 120.200 120.200 126.619 -6.419 18547 8334 1 9 . 1 1 65 65 LYS HA H 55 4.780 4.780 4.238 0.542 18547 8335 1 9 . 1 1 65 65 LYS C C 55 176.000 176.000 176.266 -0.266 18547 8336 1 9 . 1 1 65 65 LYS CA C 55 54.200 54.200 56.758 -2.558 18547 8337 1 9 . 1 1 65 65 LYS CB C 55 35.300 35.300 33.553 1.747 18547 8338 1 9 . 1 1 65 65 LYS H H 55 8.370 8.370 8.399 -0.029 18547 8339 1 9 . 1 1 66 66 GLY N N 56 109.400 109.400 111.374 -1.974 18547 8340 1 9 . 1 1 66 66 GLY C C 56 171.400 171.400 173.483 -2.083 18547 8341 1 9 . 1 1 66 66 GLY CA C 56 45.400 45.400 44.781 0.619 18547 8342 1 9 . 1 1 66 66 GLY H H 56 8.640 8.640 7.825 0.815 18547 8343 1 9 . 1 1 67 67 ASP N N 57 123.800 123.800 121.359 2.441 18547 8344 1 9 . 1 1 67 67 ASP HA H 57 4.900 4.900 4.590 0.310 18547 8345 1 9 . 1 1 67 67 ASP C C 57 175.600 175.600 177.596 -1.996 18547 8346 1 9 . 1 1 67 67 ASP CA C 57 52.400 52.400 55.102 -2.701 18547 8347 1 9 . 1 1 67 67 ASP CB C 57 40.700 40.700 41.456 -0.756 18547 8348 1 9 . 1 1 67 67 ASP H H 57 7.790 7.790 8.668 -0.878 18547 8349 1 9 . 1 1 68 68 LEU N N 58 122.800 122.800 114.936 7.864 18547 8350 1 9 . 1 1 68 68 LEU HA H 58 4.270 4.270 3.992 0.278 18547 8351 1 9 . 1 1 68 68 LEU C C 58 173.700 173.700 176.520 -2.820 18547 8352 1 9 . 1 1 68 68 LEU CA C 58 54.500 54.500 56.091 -1.591 18547 8353 1 9 . 1 1 68 68 LEU CB C 58 38.300 38.300 40.334 -2.034 18547 8354 1 9 . 1 1 68 68 LEU H H 58 8.330 8.330 7.684 0.646 18547 8355 1 9 . 1 1 69 69 ARG N N 59 121.800 121.800 118.431 3.369 18547 8356 1 9 . 1 1 69 69 ARG HA H 59 4.710 4.710 4.576 0.134 18547 8357 1 9 . 1 1 69 69 ARG CA C 59 54.100 54.100 53.615 0.485 18547 8358 1 9 . 1 1 69 69 ARG CB C 59 31.800 31.800 31.529 0.271 18547 8359 1 9 . 1 1 69 69 ARG H H 59 8.120 8.120 7.661 0.459 18547 8360 1 9 . 1 1 70 70 GLU N N 60 122.800 122.800 121.976 0.824 18547 8361 1 9 . 1 1 70 70 GLU HA H 60 3.870 3.870 4.149 -0.279 18547 8362 1 9 . 1 1 70 70 GLU C C 60 177.200 177.200 177.064 0.136 18547 8363 1 9 . 1 1 70 70 GLU CA C 60 60.000 60.000 57.513 2.487 18547 8364 1 9 . 1 1 70 70 GLU CB C 60 30.200 30.200 28.861 1.339 18547 8365 1 9 . 1 1 70 70 GLU H H 60 9.130 9.130 8.860 0.270 18547 8366 1 9 . 1 1 71 71 GLY N N 61 117.100 117.100 114.808 2.292 18547 8367 1 9 . 1 1 71 71 GLY C C 61 174.900 174.900 174.411 0.489 18547 8368 1 9 . 1 1 71 71 GLY CA C 61 45.600 45.600 44.688 0.912 18547 8369 1 9 . 1 1 71 71 GLY H H 61 8.710 8.710 8.420 0.290 18547 8370 1 9 . 1 1 72 72 GLY N N 62 110.300 110.300 110.264 0.036 18547 8371 1 9 . 1 1 72 72 GLY C C 62 174.200 174.200 172.634 1.566 18547 8372 1 9 . 1 1 72 72 GLY CA C 62 43.400 43.400 44.222 -0.822 18547 8373 1 9 . 1 1 72 72 GLY H H 62 8.760 8.760 7.875 0.884 18547 8374 1 9 . 1 1 73 73 ASN N N 63 117.800 117.800 116.280 1.520 18547 8375 1 9 . 1 1 73 73 ASN HA H 63 5.490 5.490 4.862 0.628 18547 8376 1 9 . 1 1 73 73 ASN C C 63 171.400 171.400 173.723 -2.323 18547 8377 1 9 . 1 1 73 73 ASN CA C 63 52.900 52.900 51.792 1.108 18547 8378 1 9 . 1 1 73 73 ASN CB C 63 41.500 41.500 41.339 0.161 18547 8379 1 9 . 1 1 73 73 ASN H H 63 8.890 8.890 8.325 0.565 18547 8380 1 9 . 1 1 74 74 PHE N N 64 113.500 113.500 116.410 -2.910 18547 8381 1 9 . 1 1 74 74 PHE HA H 64 5.500 5.500 5.577 -0.077 18547 8382 1 9 . 1 1 74 74 PHE C C 64 173.200 173.200 173.862 -0.662 18547 8383 1 9 . 1 1 74 74 PHE CA C 64 55.900 55.900 55.397 0.503 18547 8384 1 9 . 1 1 74 74 PHE CB C 64 44.600 44.600 42.608 1.992 18547 8385 1 9 . 1 1 74 74 PHE H H 64 8.700 8.700 7.992 0.708 18547 8386 1 9 . 1 1 75 75 ALA N N 65 122.200 122.200 120.097 2.103 18547 8387 1 9 . 1 1 75 75 ALA HA H 65 4.350 4.350 4.366 -0.016 18547 8388 1 9 . 1 1 75 75 ALA C C 65 176.000 176.000 174.698 1.302 18547 8389 1 9 . 1 1 75 75 ALA CA C 65 52.500 52.500 51.799 0.701 18547 8390 1 9 . 1 1 75 75 ALA CB C 65 21.800 21.800 21.804 -0.004 18547 8391 1 9 . 1 1 75 75 ALA H H 65 8.690 8.690 8.335 0.355 18547 8392 1 9 . 1 1 76 76 LEU N N 66 123.800 123.800 121.877 1.923 18547 8393 1 9 . 1 1 76 76 LEU HA H 66 4.520 4.520 4.771 -0.251 18547 8394 1 9 . 1 1 76 76 LEU C C 66 175.800 175.800 176.638 -0.838 18547 8395 1 9 . 1 1 76 76 LEU CA C 66 52.500 52.500 53.826 -1.326 18547 8396 1 9 . 1 1 76 76 LEU CB C 66 42.400 42.400 44.383 -1.983 18547 8397 1 9 . 1 1 76 76 LEU H H 66 8.350 8.350 8.343 0.007 18547 8398 1 9 . 1 1 77 77 GLN N N 67 127.400 127.400 121.194 6.206 18547 8399 1 9 . 1 1 77 77 GLN HA H 67 3.900 3.900 4.271 -0.371 18547 8400 1 9 . 1 1 77 77 GLN C C 67 176.600 176.600 177.350 -0.750 18547 8401 1 9 . 1 1 77 77 GLN CA C 67 57.800 57.800 57.670 0.129 18547 8402 1 9 . 1 1 77 77 GLN CB C 67 28.000 28.000 29.231 -1.231 18547 8403 1 9 . 1 1 77 77 GLN H H 67 8.590 8.590 8.602 -0.012 18547 8404 1 9 . 1 1 78 78 GLY N N 68 114.800 114.800 107.462 7.338 18547 8405 1 9 . 1 1 78 78 GLY C C 68 173.700 173.700 174.446 -0.746 18547 8406 1 9 . 1 1 78 78 GLY CA C 68 45.700 45.700 45.142 0.558 18547 8407 1 9 . 1 1 78 78 GLY H H 68 8.920 8.920 8.430 0.490 18547 8408 1 9 . 1 1 79 79 ASN N N 69 124.000 124.000 117.895 6.105 18547 8409 1 9 . 1 1 79 79 ASN HA H 69 4.600 4.600 4.826 -0.226 18547 8410 1 9 . 1 1 79 79 ASN C C 69 173.300 173.300 174.020 -0.720 18547 8411 1 9 . 1 1 79 79 ASN CA C 69 52.900 52.900 53.007 -0.107 18547 8412 1 9 . 1 1 79 79 ASN CB C 69 41.600 41.600 39.688 1.912 18547 8413 1 9 . 1 1 79 79 ASN H H 69 8.360 8.360 7.877 0.483 18547 8414 1 9 . 1 1 80 80 ALA N N 70 127.200 127.200 120.673 6.527 18547 8415 1 9 . 1 1 80 80 ALA HA H 70 4.170 4.170 4.467 -0.297 18547 8416 1 9 . 1 1 80 80 ALA C C 70 174.500 174.500 174.739 -0.239 18547 8417 1 9 . 1 1 80 80 ALA CA C 70 52.500 52.500 51.238 1.262 18547 8418 1 9 . 1 1 80 80 ALA CB C 70 18.600 18.600 20.954 -2.354 18547 8419 1 9 . 1 1 80 80 ALA H H 70 8.930 8.930 7.651 1.279 18547 8420 1 9 . 1 1 81 81 SER N N 71 111.000 111.000 112.623 -1.623 18547 8421 1 9 . 1 1 81 81 SER HA H 71 4.170 4.170 4.360 -0.190 18547 8422 1 9 . 1 1 81 81 SER C C 71 170.900 170.900 173.136 -2.236 18547 8423 1 9 . 1 1 81 81 SER CA C 71 56.300 56.300 56.475 -0.175 18547 8424 1 9 . 1 1 81 81 SER CB C 71 66.600 66.600 65.505 1.095 18547 8425 1 9 . 1 1 81 81 SER H H 71 7.980 7.980 7.877 0.103 18547 8426 1 9 . 1 1 82 82 GLY N N 72 102.700 102.700 107.647 -4.947 18547 8427 1 9 . 1 1 82 82 GLY C C 72 171.700 171.700 171.732 -0.032 18547 8428 1 9 . 1 1 82 82 GLY CA C 72 46.200 46.200 44.885 1.315 18547 8429 1 9 . 1 1 82 82 GLY H H 72 6.940 6.940 7.219 -0.279 18547 8430 1 9 . 1 1 83 83 ASP N N 73 117.900 117.900 117.260 0.640 18547 8431 1 9 . 1 1 83 83 ASP HA H 73 5.430 5.430 5.177 0.253 18547 8432 1 9 . 1 1 83 83 ASP C C 73 176.100 176.100 175.193 0.907 18547 8433 1 9 . 1 1 83 83 ASP CA C 73 52.700 52.700 53.010 -0.310 18547 8434 1 9 . 1 1 83 83 ASP CB C 73 43.600 43.600 44.331 -0.731 18547 8435 1 9 . 1 1 83 83 ASP H H 73 8.770 8.770 8.024 0.746 18547 8436 1 9 . 1 1 84 84 ILE N N 74 120.200 120.200 119.818 0.382 18547 8437 1 9 . 1 1 84 84 ILE HA H 74 4.530 4.530 4.290 0.240 18547 8438 1 9 . 1 1 84 84 ILE C C 74 175.600 175.600 176.420 -0.820 18547 8439 1 9 . 1 1 84 84 ILE CA C 74 61.700 61.700 60.654 1.046 18547 8440 1 9 . 1 1 84 84 ILE CB C 74 36.700 36.700 36.830 -0.130 18547 8441 1 9 . 1 1 84 84 ILE H H 74 8.060 8.060 8.082 -0.022 18547 8442 1 9 . 1 1 85 85 LEU N N 75 130.400 130.400 128.033 2.367 18547 8443 1 9 . 1 1 85 85 LEU HA H 75 4.330 4.330 4.270 0.060 18547 8444 1 9 . 1 1 85 85 LEU C C 75 178.100 178.100 177.399 0.701 18547 8445 1 9 . 1 1 85 85 LEU CA C 75 57.000 57.000 56.826 0.174 18547 8446 1 9 . 1 1 85 85 LEU CB C 75 42.000 42.000 42.439 -0.439 18547 8447 1 9 . 1 1 85 85 LEU H H 75 8.710 8.710 7.936 0.774 18547 8448 1 9 . 1 1 86 86 ARG N N 76 115.700 115.700 118.154 -2.454 18547 8449 1 9 . 1 1 86 86 ARG HA H 76 4.840 4.840 4.928 -0.088 18547 8450 1 9 . 1 1 86 86 ARG C C 76 174.900 174.900 174.226 0.674 18547 8451 1 9 . 1 1 86 86 ARG CA C 76 54.700 54.700 54.780 -0.080 18547 8452 1 9 . 1 1 86 86 ARG CB C 76 33.900 33.900 33.623 0.277 18547 8453 1 9 . 1 1 86 86 ARG H H 76 8.130 8.130 8.224 -0.094 18547 8454 1 9 . 1 1 87 87 CYS N N 77 127.100 127.100 122.059 5.041 18547 8455 1 9 . 1 1 87 87 CYS HA H 77 5.130 5.130 5.210 -0.080 18547 8456 1 9 . 1 1 87 87 CYS C C 77 171.700 171.700 173.650 -1.950 18547 8457 1 9 . 1 1 87 87 CYS CA C 77 54.600 54.600 57.413 -2.813 18547 8458 1 9 . 1 1 87 87 CYS CB C 77 33.000 33.000 30.514 2.486 18547 8459 1 9 . 1 1 87 87 CYS H H 77 10.630 10.630 9.224 1.406 18547 8460 1 9 . 1 1 88 88 GLU N N 78 128.200 128.200 125.155 3.045 18547 8461 1 9 . 1 1 88 88 GLU HA H 78 4.950 4.950 4.753 0.197 18547 8462 1 9 . 1 1 88 88 GLU CA C 78 52.100 52.100 53.224 -1.123 18547 8463 1 9 . 1 1 88 88 GLU CB C 78 30.500 30.500 31.739 -1.239 18547 8464 1 9 . 1 1 88 88 GLU H H 78 9.460 9.460 9.048 0.412 18547 8465 1 9 . 1 1 89 89 PRO HA H 79 2.780 2.780 3.062 -0.282 18547 8466 1 9 . 1 1 89 89 PRO CA C 79 60.500 60.500 61.173 -0.673 18547 8467 1 9 . 1 1 89 89 PRO CB C 79 31.600 31.600 30.809 0.791 18547 8468 1 9 . 1 1 90 90 PRO HA H 80 2.250 2.250 3.563 -1.313 18547 8469 1 9 . 1 1 90 90 PRO C C 80 171.400 171.400 176.029 -4.629 18547 8470 1 9 . 1 1 90 90 PRO CA C 80 63.700 63.700 61.775 1.925 18547 8471 1 9 . 1 1 90 90 PRO CB C 80 30.500 30.500 31.707 -1.207 18547 8472 1 9 . 1 1 91 91 ARG N N 81 113.700 113.700 118.374 -4.674 18547 8473 1 9 . 1 1 91 91 ARG HA H 81 4.700 4.700 4.390 0.310 18547 8474 1 9 . 1 1 91 91 ARG C C 81 176.500 176.500 176.335 0.165 18547 8475 1 9 . 1 1 91 91 ARG CA C 81 57.400 57.400 57.697 -0.297 18547 8476 1 9 . 1 1 91 91 ARG CB C 81 34.200 34.200 31.213 2.987 18547 8477 1 9 . 1 1 91 91 ARG H H 81 7.640 7.640 7.792 -0.152 18547 8478 1 9 . 1 1 92 92 ARG N N 82 121.000 121.000 115.424 5.576 18547 8479 1 9 . 1 1 92 92 ARG HA H 82 5.700 5.700 5.552 0.148 18547 8480 1 9 . 1 1 92 92 ARG C C 82 172.700 172.700 174.101 -1.401 18547 8481 1 9 . 1 1 92 92 ARG CA C 82 55.900 55.900 54.881 1.019 18547 8482 1 9 . 1 1 92 92 ARG CB C 82 34.100 34.100 34.374 -0.274 18547 8483 1 9 . 1 1 92 92 ARG H H 82 7.710 7.710 7.939 -0.229 18547 8484 1 9 . 1 1 93 93 LEU N N 83 130.800 130.800 123.678 7.122 18547 8485 1 9 . 1 1 93 93 LEU HA H 83 5.250 5.250 5.072 0.178 18547 8486 1 9 . 1 1 93 93 LEU C C 83 174.000 174.000 174.393 -0.393 18547 8487 1 9 . 1 1 93 93 LEU CA C 83 53.700 53.700 54.606 -0.906 18547 8488 1 9 . 1 1 93 93 LEU CB C 83 47.100 47.100 45.424 1.676 18547 8489 1 9 . 1 1 93 93 LEU H H 83 9.080 9.080 8.935 0.145 18547 8490 1 9 . 1 1 94 94 THR N N 84 124.200 124.200 123.244 0.956 18547 8491 1 9 . 1 1 94 94 THR HA H 84 5.340 5.340 5.094 0.246 18547 8492 1 9 . 1 1 94 94 THR C C 84 174.100 174.100 173.598 0.502 18547 8493 1 9 . 1 1 94 94 THR CA C 84 62.700 62.700 61.422 1.278 18547 8494 1 9 . 1 1 94 94 THR CB C 84 69.600 69.600 70.269 -0.669 18547 8495 1 9 . 1 1 94 94 THR H H 84 9.310 9.310 8.298 1.012 18547 8496 1 9 . 1 1 95 95 ILE N N 85 121.600 121.600 120.784 0.816 18547 8497 1 9 . 1 1 95 95 ILE HA H 85 5.630 5.630 5.135 0.495 18547 8498 1 9 . 1 1 95 95 ILE C C 85 175.000 175.000 173.926 1.074 18547 8499 1 9 . 1 1 95 95 ILE CA C 85 59.300 59.300 58.906 0.394 18547 8500 1 9 . 1 1 95 95 ILE CB C 85 40.900 40.900 42.040 -1.140 18547 8501 1 9 . 1 1 95 95 ILE H H 85 9.700 9.700 9.036 0.664 18547 8502 1 9 . 1 1 96 96 SER N N 86 117.900 117.900 116.712 1.188 18547 8503 1 9 . 1 1 96 96 SER HA H 86 5.270 5.270 5.159 0.111 18547 8504 1 9 . 1 1 96 96 SER C C 86 172.200 172.200 173.878 -1.678 18547 8505 1 9 . 1 1 96 96 SER CA C 86 57.600 57.600 57.475 0.125 18547 8506 1 9 . 1 1 96 96 SER CB C 86 65.700 65.700 65.210 0.490 18547 8507 1 9 . 1 1 96 96 SER H H 86 9.290 9.290 8.383 0.907 18547 8508 1 9 . 1 1 97 97 TRP N N 87 120.000 120.000 124.647 -4.647 18547 8509 1 9 . 1 1 97 97 TRP HA H 87 5.130 5.130 5.032 0.098 18547 8510 1 9 . 1 1 97 97 TRP C C 87 175.500 175.500 174.495 1.005 18547 8511 1 9 . 1 1 97 97 TRP CA C 87 57.900 57.900 56.822 1.079 18547 8512 1 9 . 1 1 97 97 TRP CB C 87 31.500 31.500 31.601 -0.101 18547 8513 1 9 . 1 1 97 97 TRP H H 87 7.790 7.790 8.498 -0.708 18547 8514 1 9 . 1 1 98 98 VAL N N 88 132.200 132.200 129.220 2.980 18547 8515 1 9 . 1 1 98 98 VAL HA H 88 4.460 4.460 4.901 -0.441 18547 8516 1 9 . 1 1 98 98 VAL C C 88 175.100 175.100 174.388 0.712 18547 8517 1 9 . 1 1 98 98 VAL CA C 88 62.000 62.000 61.447 0.553 18547 8518 1 9 . 1 1 98 98 VAL CB C 88 32.500 32.500 31.679 0.821 18547 8519 1 9 . 1 1 98 98 VAL H H 88 9.620 9.620 8.293 1.327 18547 8520 1 9 . 1 1 99 99 TYR N N 89 130.300 130.300 127.329 2.971 18547 8521 1 9 . 1 1 99 99 TYR HA H 89 4.440 4.440 4.813 -0.373 18547 8522 1 9 . 1 1 99 99 TYR C C 89 173.900 173.900 173.976 -0.076 18547 8523 1 9 . 1 1 99 99 TYR CA C 89 56.800 56.800 56.403 0.397 18547 8524 1 9 . 1 1 99 99 TYR CB C 89 42.100 42.100 42.468 -0.368 18547 8525 1 9 . 1 1 99 99 TYR H H 89 9.670 9.670 7.992 1.678 18547 8526 1 9 . 1 1 100 100 GLU N N 90 127.100 127.100 121.350 5.750 18547 8527 1 9 . 1 1 100 100 GLU HA H 90 3.940 3.940 4.170 -0.230 18547 8528 1 9 . 1 1 100 100 GLU C C 90 176.700 176.700 177.210 -0.510 18547 8529 1 9 . 1 1 100 100 GLU CA C 90 58.300 58.300 56.341 1.959 18547 8530 1 9 . 1 1 100 100 GLU CB C 90 29.200 29.200 29.657 -0.457 18547 8531 1 9 . 1 1 100 100 GLU H H 90 8.080 8.080 7.884 0.196 18547 8532 1 9 . 1 1 101 101 GLY N N 91 113.100 113.100 110.759 2.341 18547 8533 1 9 . 1 1 101 101 GLY C C 91 173.900 173.900 174.123 -0.223 18547 8534 1 9 . 1 1 101 101 GLY CA C 91 45.200 45.200 46.133 -0.933 18547 8535 1 9 . 1 1 101 101 GLY H H 91 8.850 8.850 8.825 0.025 18547 8536 1 9 . 1 1 102 102 LYS N N 92 120.100 120.100 123.584 -3.484 18547 8537 1 9 . 1 1 102 102 LYS HA H 92 4.990 4.990 4.965 0.025 18547 8538 1 9 . 1 1 102 102 LYS CA C 92 52.500 52.500 52.689 -0.189 18547 8539 1 9 . 1 1 102 102 LYS CB C 92 33.200 33.200 32.402 0.798 18547 8540 1 9 . 1 1 102 102 LYS H H 92 8.270 8.270 7.728 0.542 18547 8541 1 9 . 1 1 103 103 PRO HA H 93 4.620 4.620 4.250 0.370 18547 8542 1 9 . 1 1 103 103 PRO C C 93 176.700 176.700 176.587 0.113 18547 8543 1 9 . 1 1 103 103 PRO CA C 93 62.400 62.400 65.054 -2.654 18547 8544 1 9 . 1 1 103 103 PRO CB C 93 31.400 31.400 32.281 -0.881 18547 8545 1 9 . 1 1 104 104 ASP N N 94 124.500 124.500 115.353 9.147 18547 8546 1 9 . 1 1 104 104 ASP HA H 94 4.860 4.860 5.411 -0.551 18547 8547 1 9 . 1 1 104 104 ASP C C 94 177.100 177.100 175.575 1.525 18547 8548 1 9 . 1 1 104 104 ASP CA C 94 55.900 55.900 52.172 3.728 18547 8549 1 9 . 1 1 104 104 ASP CB C 94 40.500 40.500 44.477 -3.977 18547 8550 1 9 . 1 1 104 104 ASP H H 94 8.850 8.850 7.990 0.860 18547 8551 1 9 . 1 1 105 105 SER N N 95 118.600 118.600 113.049 5.551 18547 8552 1 9 . 1 1 105 105 SER HA H 95 5.280 5.280 4.919 0.361 18547 8553 1 9 . 1 1 105 105 SER C C 95 173.700 173.700 172.227 1.473 18547 8554 1 9 . 1 1 105 105 SER CA C 95 57.900 57.900 57.734 0.166 18547 8555 1 9 . 1 1 105 105 SER CB C 95 65.600 65.600 67.233 -1.633 18547 8556 1 9 . 1 1 105 105 SER H H 95 9.260 9.260 8.376 0.884 18547 8557 1 9 . 1 1 106 106 GLU N N 96 124.100 124.100 121.882 2.218 18547 8558 1 9 . 1 1 106 106 GLU HA H 96 5.180 5.180 5.061 0.119 18547 8559 1 9 . 1 1 106 106 GLU C C 96 172.400 172.400 174.720 -2.320 18547 8560 1 9 . 1 1 106 106 GLU CA C 96 57.200 57.200 55.041 2.159 18547 8561 1 9 . 1 1 106 106 GLU CB C 96 36.100 36.100 32.930 3.170 18547 8562 1 9 . 1 1 106 106 GLU H H 96 8.620 8.620 8.359 0.261 18547 8563 1 9 . 1 1 107 107 VAL N N 97 128.100 128.100 125.836 2.264 18547 8564 1 9 . 1 1 107 107 VAL HA H 97 4.770 4.770 4.533 0.237 18547 8565 1 9 . 1 1 107 107 VAL C C 97 173.100 173.100 174.142 -1.042 18547 8566 1 9 . 1 1 107 107 VAL CA C 97 60.100 60.100 60.557 -0.457 18547 8567 1 9 . 1 1 107 107 VAL CB C 97 34.200 34.200 34.406 -0.206 18547 8568 1 9 . 1 1 107 107 VAL H H 97 9.180 9.180 8.618 0.562 18547 8569 1 9 . 1 1 108 108 GLU N N 98 126.200 126.200 124.748 1.452 18547 8570 1 9 . 1 1 108 108 GLU HA H 98 5.580 5.580 4.912 0.668 18547 8571 1 9 . 1 1 108 108 GLU C C 98 172.100 172.100 173.886 -1.786 18547 8572 1 9 . 1 1 108 108 GLU CA C 98 54.200 54.200 54.776 -0.576 18547 8573 1 9 . 1 1 108 108 GLU CB C 98 35.200 35.200 34.046 1.154 18547 8574 1 9 . 1 1 108 108 GLU H H 98 9.300 9.300 8.559 0.741 18547 8575 1 9 . 1 1 109 109 LEU N N 99 128.600 128.600 127.337 1.263 18547 8576 1 9 . 1 1 109 109 LEU HA H 99 5.080 5.080 4.587 0.493 18547 8577 1 9 . 1 1 109 109 LEU C C 99 175.100 175.100 174.511 0.589 18547 8578 1 9 . 1 1 109 109 LEU CA C 99 52.700 52.700 53.693 -0.993 18547 8579 1 9 . 1 1 109 109 LEU CB C 99 46.400 46.400 43.655 2.745 18547 8580 1 9 . 1 1 109 109 LEU H H 99 9.330 9.330 8.724 0.606 18547 8581 1 9 . 1 1 110 110 ARG N N 100 124.700 124.700 128.048 -3.348 18547 8582 1 9 . 1 1 110 110 ARG HA H 100 5.390 5.390 4.978 0.412 18547 8583 1 9 . 1 1 110 110 ARG C C 100 175.400 175.400 174.121 1.279 18547 8584 1 9 . 1 1 110 110 ARG CA C 100 54.600 54.600 54.997 -0.397 18547 8585 1 9 . 1 1 110 110 ARG CB C 100 34.100 34.100 33.659 0.441 18547 8586 1 9 . 1 1 110 110 ARG H H 100 9.430 9.430 8.602 0.828 18547 8587 1 9 . 1 1 111 111 LEU N N 101 122.900 122.900 128.216 -5.316 18547 8588 1 9 . 1 1 111 111 LEU HA H 101 5.620 5.620 5.652 -0.032 18547 8589 1 9 . 1 1 111 111 LEU C C 101 177.100 177.100 174.950 2.150 18547 8590 1 9 . 1 1 111 111 LEU CA C 101 53.000 53.000 54.030 -1.030 18547 8591 1 9 . 1 1 111 111 LEU CB C 101 44.900 44.900 45.925 -1.025 18547 8592 1 9 . 1 1 111 111 LEU H H 101 9.120 9.120 8.993 0.127 18547 8593 1 9 . 1 1 112 112 SER N N 102 113.800 113.800 117.030 -3.230 18547 8594 1 9 . 1 1 112 112 SER HA H 102 4.690 4.690 4.843 -0.153 18547 8595 1 9 . 1 1 112 112 SER C C 102 172.700 172.700 172.844 -0.144 18547 8596 1 9 . 1 1 112 112 SER CA C 102 57.000 57.000 57.499 -0.499 18547 8597 1 9 . 1 1 112 112 SER CB C 102 65.700 65.700 66.717 -1.017 18547 8598 1 9 . 1 1 112 112 SER H H 102 8.770 8.770 8.425 0.345 18547 8599 1 9 . 1 1 113 113 GLU N N 103 123.400 123.400 122.719 0.681 18547 8600 1 9 . 1 1 113 113 GLU HA H 103 4.440 4.440 4.351 0.089 18547 8601 1 9 . 1 1 113 113 GLU C C 103 176.600 176.600 176.325 0.275 18547 8602 1 9 . 1 1 113 113 GLU CA C 103 57.500 57.500 57.591 -0.091 18547 8603 1 9 . 1 1 113 113 GLU CB C 103 30.200 30.200 30.178 0.022 18547 8604 1 9 . 1 1 113 113 GLU H H 103 9.200 9.200 8.696 0.504 18547 8605 1 9 . 1 1 114 114 GLU N N 104 126.500 126.500 123.566 2.934 18547 8606 1 9 . 1 1 114 114 GLU HA H 104 4.450 4.450 4.479 -0.029 18547 8607 1 9 . 1 1 114 114 GLU C C 104 175.600 175.600 176.684 -1.084 18547 8608 1 9 . 1 1 114 114 GLU CA C 104 55.700 55.700 55.714 -0.014 18547 8609 1 9 . 1 1 114 114 GLU CB C 104 31.300 31.300 30.166 1.134 18547 8610 1 9 . 1 1 114 114 GLU H H 104 8.110 8.110 8.041 0.069 18547 8611 1 9 . 1 1 115 115 GLY N N 105 118.000 118.000 118.200 -0.200 18547 8612 1 9 . 1 1 115 115 GLY C C 105 174.700 174.700 174.461 0.239 18547 8613 1 9 . 1 1 115 115 GLY CA C 105 47.100 47.100 46.893 0.207 18547 8614 1 9 . 1 1 115 115 GLY H H 105 9.030 9.030 8.750 0.280 18547 8615 1 9 . 1 1 116 116 ASP N N 106 126.200 126.200 125.215 0.985 18547 8616 1 9 . 1 1 116 116 ASP HA H 106 4.750 4.750 4.784 -0.034 18547 8617 1 9 . 1 1 116 116 ASP C C 106 175.600 175.600 176.393 -0.793 18547 8618 1 9 . 1 1 116 116 ASP CA C 106 54.300 54.300 53.272 1.028 18547 8619 1 9 . 1 1 116 116 ASP CB C 106 40.800 40.800 41.837 -1.037 18547 8620 1 9 . 1 1 116 116 ASP H H 106 8.800 8.800 8.433 0.367 18547 8621 1 9 . 1 1 117 117 GLY N N 107 109.500 109.500 107.917 1.583 18547 8622 1 9 . 1 1 117 117 GLY C C 107 174.400 174.400 173.384 1.016 18547 8623 1 9 . 1 1 117 117 GLY CA C 107 44.800 44.800 44.712 0.089 18547 8624 1 9 . 1 1 117 117 GLY H H 107 8.040 8.040 7.863 0.177 18547 8625 1 9 . 1 1 118 118 THR N N 108 120.400 120.400 115.664 4.736 18547 8626 1 9 . 1 1 118 118 THR HA H 108 4.970 4.970 4.875 0.095 18547 8627 1 9 . 1 1 118 118 THR C C 108 173.000 173.000 172.908 0.092 18547 8628 1 9 . 1 1 118 118 THR CA C 108 63.500 63.500 62.725 0.775 18547 8629 1 9 . 1 1 118 118 THR CB C 108 73.000 73.000 72.269 0.730 18547 8630 1 9 . 1 1 118 118 THR H H 108 9.010 9.010 8.351 0.659 18547 8631 1 9 . 1 1 119 119 LEU N N 109 129.000 129.000 129.163 -0.163 18547 8632 1 9 . 1 1 119 119 LEU HA H 109 4.790 4.790 5.254 -0.464 18547 8633 1 9 . 1 1 119 119 LEU C C 109 173.500 173.500 174.438 -0.938 18547 8634 1 9 . 1 1 119 119 LEU CA C 109 54.300 54.300 53.972 0.328 18547 8635 1 9 . 1 1 119 119 LEU CB C 109 42.900 42.900 43.931 -1.031 18547 8636 1 9 . 1 1 119 119 LEU H H 109 9.410 9.410 8.936 0.474 18547 8637 1 9 . 1 1 120 120 LEU N N 110 132.200 132.200 129.026 3.174 18547 8638 1 9 . 1 1 120 120 LEU HA H 110 4.820 4.820 5.383 -0.563 18547 8639 1 9 . 1 1 120 120 LEU C C 110 174.100 174.100 174.871 -0.771 18547 8640 1 9 . 1 1 120 120 LEU CA C 110 54.900 54.900 53.502 1.397 18547 8641 1 9 . 1 1 120 120 LEU CB C 110 45.300 45.300 44.717 0.583 18547 8642 1 9 . 1 1 120 120 LEU H H 110 9.430 9.430 8.890 0.540 18547 8643 1 9 . 1 1 121 121 GLU N N 111 125.800 125.800 126.818 -1.018 18547 8644 1 9 . 1 1 121 121 GLU HA H 111 5.530 5.530 4.908 0.622 18547 8645 1 9 . 1 1 121 121 GLU C C 111 173.500 173.500 174.971 -1.471 18547 8646 1 9 . 1 1 121 121 GLU CA C 111 54.500 54.500 54.837 -0.337 18547 8647 1 9 . 1 1 121 121 GLU CB C 111 33.100 33.100 31.088 2.012 18547 8648 1 9 . 1 1 121 121 GLU H H 111 8.970 8.970 8.954 0.016 18547 8649 1 9 . 1 1 122 122 LEU N N 112 127.300 127.300 128.629 -1.329 18547 8650 1 9 . 1 1 122 122 LEU HA H 112 5.030 5.030 4.937 0.093 18547 8651 1 9 . 1 1 122 122 LEU C C 112 173.700 173.700 174.762 -1.062 18547 8652 1 9 . 1 1 122 122 LEU CA C 112 53.200 53.200 53.718 -0.517 18547 8653 1 9 . 1 1 122 122 LEU CB C 112 45.400 45.400 43.599 1.801 18547 8654 1 9 . 1 1 122 122 LEU H H 112 8.950 8.950 8.730 0.220 18547 8655 1 9 . 1 1 123 123 GLU N N 113 127.900 127.900 129.286 -1.386 18547 8656 1 9 . 1 1 123 123 GLU HA H 113 5.750 5.750 5.104 0.646 18547 8657 1 9 . 1 1 123 123 GLU C C 113 174.200 174.200 174.865 -0.665 18547 8658 1 9 . 1 1 123 123 GLU CA C 113 52.900 52.900 54.180 -1.280 18547 8659 1 9 . 1 1 123 123 GLU CB C 113 33.300 33.300 31.143 2.157 18547 8660 1 9 . 1 1 123 123 GLU H H 113 9.350 9.350 8.494 0.856 18547 8661 1 9 . 1 1 124 124 HIS N N 114 128.200 128.200 127.804 0.396 18547 8662 1 9 . 1 1 124 124 HIS HA H 114 5.240 5.240 4.617 0.623 18547 8663 1 9 . 1 1 124 124 HIS C C 114 173.900 173.900 172.864 1.036 18547 8664 1 9 . 1 1 124 124 HIS CA C 114 54.300 54.300 54.520 -0.220 18547 8665 1 9 . 1 1 124 124 HIS CB C 114 34.600 34.600 32.370 2.231 18547 8666 1 9 . 1 1 124 124 HIS H H 114 8.770 8.770 8.123 0.647 18547 8667 1 9 . 1 1 125 125 ALA N N 115 128.600 128.600 130.315 -1.715 18547 8668 1 9 . 1 1 125 125 ALA HA H 115 5.150 5.150 5.572 -0.422 18547 8669 1 9 . 1 1 125 125 ALA C C 115 175.400 175.400 175.607 -0.207 18547 8670 1 9 . 1 1 125 125 ALA CA C 115 50.100 50.100 50.292 -0.192 18547 8671 1 9 . 1 1 125 125 ALA CB C 115 22.500 22.500 21.988 0.513 18547 8672 1 9 . 1 1 125 125 ALA H H 115 9.360 9.360 8.577 0.783 18547 8673 1 9 . 1 1 126 126 THR N N 116 115.800 115.800 117.611 -1.811 18547 8674 1 9 . 1 1 126 126 THR HA H 116 4.960 4.960 4.874 0.086 18547 8675 1 9 . 1 1 126 126 THR C C 116 172.200 172.200 174.889 -2.689 18547 8676 1 9 . 1 1 126 126 THR CA C 116 58.800 58.800 59.685 -0.886 18547 8677 1 9 . 1 1 126 126 THR CB C 116 69.200 69.200 70.695 -1.495 18547 8678 1 9 . 1 1 126 126 THR H H 116 8.760 8.760 8.199 0.561 18547 8679 1 9 . 1 1 127 127 THR N N 117 116.000 116.000 115.869 0.131 18547 8680 1 9 . 1 1 127 127 THR HA H 117 4.390 4.390 4.451 -0.061 18547 8681 1 9 . 1 1 127 127 THR C C 117 174.400 174.400 174.795 -0.395 18547 8682 1 9 . 1 1 127 127 THR CA C 117 62.900 62.900 62.029 0.872 18547 8683 1 9 . 1 1 127 127 THR CB C 117 68.800 68.800 69.092 -0.292 18547 8684 1 9 . 1 1 127 127 THR H H 117 8.460 8.460 8.790 -0.330 18547 8685 1 9 . 1 1 128 128 SER N N 118 116.400 116.400 117.455 -1.055 18547 8686 1 9 . 1 1 128 128 SER HA H 118 4.890 4.890 4.611 0.279 18547 8687 1 9 . 1 1 128 128 SER C C 118 174.700 174.700 174.759 -0.059 18547 8688 1 9 . 1 1 128 128 SER CA C 118 55.400 55.400 56.415 -1.015 18547 8689 1 9 . 1 1 128 128 SER CB C 118 63.000 63.000 64.520 -1.520 18547 8690 1 9 . 1 1 128 128 SER H H 118 7.730 7.730 7.581 0.149 18547 8691 1 9 . 1 1 129 129 GLU N N 119 130.300 130.300 128.949 1.351 18547 8692 1 9 . 1 1 129 129 GLU HA H 119 3.940 3.940 3.909 0.031 18547 8693 1 9 . 1 1 129 129 GLU C C 119 178.400 178.400 177.967 0.433 18547 8694 1 9 . 1 1 129 129 GLU CA C 119 59.900 59.900 59.919 -0.019 18547 8695 1 9 . 1 1 129 129 GLU CB C 119 29.700 29.700 29.578 0.122 18547 8696 1 9 . 1 1 129 129 GLU H H 119 9.000 9.000 9.167 -0.167 18547 8697 1 9 . 1 1 130 130 GLN N N 120 117.300 117.300 118.826 -1.526 18547 8698 1 9 . 1 1 130 130 GLN HA H 120 4.120 4.120 4.062 0.058 18547 8699 1 9 . 1 1 130 130 GLN C C 120 177.900 177.900 178.096 -0.196 18547 8700 1 9 . 1 1 130 130 GLN CA C 120 58.400 58.400 58.659 -0.259 18547 8701 1 9 . 1 1 130 130 GLN CB C 120 28.000 28.000 28.366 -0.366 18547 8702 1 9 . 1 1 130 130 GLN H H 120 8.410 8.410 8.432 -0.022 18547 8703 1 9 . 1 1 131 131 MET N N 121 118.300 118.300 119.713 -1.413 18547 8704 1 9 . 1 1 131 131 MET HA H 121 4.240 4.240 4.209 0.031 18547 8705 1 9 . 1 1 131 131 MET C C 121 176.400 176.400 178.392 -1.992 18547 8706 1 9 . 1 1 131 131 MET CA C 121 57.300 57.300 58.450 -1.150 18547 8707 1 9 . 1 1 131 131 MET CB C 121 32.400 32.400 32.447 -0.047 18547 8708 1 9 . 1 1 131 131 MET H H 121 7.640 7.640 7.820 -0.180 18547 8709 1 9 . 1 1 132 132 LEU N N 122 118.700 118.700 119.677 -0.977 18547 8710 1 9 . 1 1 132 132 LEU HA H 122 3.630 3.630 3.815 -0.185 18547 8711 1 9 . 1 1 132 132 LEU C C 122 177.100 177.100 179.073 -1.973 18547 8712 1 9 . 1 1 132 132 LEU CA C 122 58.300 58.300 57.811 0.489 18547 8713 1 9 . 1 1 132 132 LEU CB C 122 41.900 41.900 41.611 0.289 18547 8714 1 9 . 1 1 132 132 LEU H H 122 7.470 7.470 7.834 -0.364 18547 8715 1 9 . 1 1 133 133 VAL N N 123 114.600 114.600 118.324 -3.724 18547 8716 1 9 . 1 1 133 133 VAL HA H 123 3.360 3.360 3.580 -0.220 18547 8717 1 9 . 1 1 133 133 VAL C C 123 176.700 176.700 178.059 -1.359 18547 8718 1 9 . 1 1 133 133 VAL CA C 123 66.600 66.600 66.065 0.535 18547 8719 1 9 . 1 1 133 133 VAL CB C 123 31.800 31.800 30.744 1.056 18547 8720 1 9 . 1 1 133 133 VAL H H 123 7.040 7.040 7.525 -0.485 18547 8721 1 9 . 1 1 134 134 GLU N N 124 116.700 116.700 120.605 -3.905 18547 8722 1 9 . 1 1 134 134 GLU HA H 124 3.900 3.900 3.884 0.016 18547 8723 1 9 . 1 1 134 134 GLU C C 124 180.700 180.700 178.810 1.890 18547 8724 1 9 . 1 1 134 134 GLU CA C 124 59.300 59.300 60.121 -0.821 18547 8725 1 9 . 1 1 134 134 GLU CB C 124 29.900 29.900 29.751 0.149 18547 8726 1 9 . 1 1 134 134 GLU H H 124 7.200 7.200 8.178 -0.978 18547 8727 1 9 . 1 1 135 135 VAL N N 125 114.700 114.700 115.107 -0.407 18547 8728 1 9 . 1 1 135 135 VAL HA H 125 3.930 3.930 3.764 0.166 18547 8729 1 9 . 1 1 135 135 VAL C C 125 177.900 177.900 177.989 -0.089 18547 8730 1 9 . 1 1 135 135 VAL CA C 125 63.800 63.800 65.076 -1.276 18547 8731 1 9 . 1 1 135 135 VAL CB C 125 30.400 30.400 30.566 -0.166 18547 8732 1 9 . 1 1 135 135 VAL H H 125 8.620 8.620 7.814 0.806 18547 8733 1 9 . 1 1 136 136 GLY N N 126 112.200 112.200 108.326 3.874 18547 8734 1 9 . 1 1 136 136 GLY C C 126 174.800 174.800 175.336 -0.536 18547 8735 1 9 . 1 1 136 136 GLY CA C 126 47.200 47.200 46.347 0.853 18547 8736 1 9 . 1 1 136 136 GLY H H 126 7.750 7.750 7.547 0.203 18547 8737 1 9 . 1 1 137 137 VAL N N 127 119.100 119.100 122.792 -3.692 18547 8738 1 9 . 1 1 137 137 VAL HA H 127 3.510 3.510 3.776 -0.266 18547 8739 1 9 . 1 1 137 137 VAL C C 127 179.100 179.100 177.938 1.162 18547 8740 1 9 . 1 1 137 137 VAL CA C 127 67.400 67.400 65.767 1.633 18547 8741 1 9 . 1 1 137 137 VAL CB C 127 32.500 32.500 31.717 0.783 18547 8742 1 9 . 1 1 137 137 VAL H H 127 7.680 7.680 7.528 0.152 18547 8743 1 9 . 1 1 138 138 GLY N N 128 106.300 106.300 107.474 -1.174 18547 8744 1 9 . 1 1 138 138 GLY C C 128 177.900 177.900 175.812 2.088 18547 8745 1 9 . 1 1 138 138 GLY CA C 128 47.300 47.300 47.370 -0.070 18547 8746 1 9 . 1 1 138 138 GLY H H 128 8.210 8.210 8.332 -0.122 18547 8747 1 9 . 1 1 139 139 TRP N N 129 122.500 122.500 121.353 1.147 18547 8748 1 9 . 1 1 139 139 TRP HA H 129 4.890 4.890 4.321 0.569 18547 8749 1 9 . 1 1 139 139 TRP C C 129 179.100 179.100 178.271 0.829 18547 8750 1 9 . 1 1 139 139 TRP CA C 129 59.800 59.800 60.026 -0.226 18547 8751 1 9 . 1 1 139 139 TRP CB C 129 30.100 30.100 29.461 0.639 18547 8752 1 9 . 1 1 139 139 TRP H H 129 8.880 8.880 7.562 1.318 18547 8753 1 9 . 1 1 140 140 GLU N N 130 119.000 119.000 119.985 -0.985 18547 8754 1 9 . 1 1 140 140 GLU HA H 130 4.020 4.020 4.102 -0.082 18547 8755 1 9 . 1 1 140 140 GLU C C 130 179.300 179.300 179.294 0.006 18547 8756 1 9 . 1 1 140 140 GLU CA C 130 62.900 62.900 59.354 3.546 18547 8757 1 9 . 1 1 140 140 GLU CB C 130 30.600 30.600 29.582 1.018 18547 8758 1 9 . 1 1 140 140 GLU H H 130 8.210 8.210 7.775 0.435 18547 8759 1 9 . 1 1 141 141 MET N N 131 117.100 117.100 118.157 -1.057 18547 8760 1 9 . 1 1 141 141 MET HA H 131 4.330 4.330 4.083 0.247 18547 8761 1 9 . 1 1 141 141 MET C C 131 178.500 178.500 178.311 0.189 18547 8762 1 9 . 1 1 141 141 MET CA C 131 57.700 57.700 58.738 -1.038 18547 8763 1 9 . 1 1 141 141 MET CB C 131 30.600 30.600 32.613 -2.013 18547 8764 1 9 . 1 1 141 141 MET H H 131 8.210 8.210 8.203 0.007 18547 8765 1 9 . 1 1 142 142 ALA N N 132 121.400 121.400 124.127 -2.727 18547 8766 1 9 . 1 1 142 142 ALA HA H 132 4.720 4.720 4.584 0.136 18547 8767 1 9 . 1 1 142 142 ALA C C 132 180.900 180.900 179.893 1.007 18547 8768 1 9 . 1 1 142 142 ALA CA C 132 55.700 55.700 55.357 0.343 18547 8769 1 9 . 1 1 142 142 ALA CB C 132 18.200 18.200 18.758 -0.558 18547 8770 1 9 . 1 1 142 142 ALA H H 132 7.910 7.910 7.797 0.113 18547 8771 1 9 . 1 1 143 143 LEU N N 133 117.200 117.200 118.192 -0.992 18547 8772 1 9 . 1 1 143 143 LEU HA H 133 4.150 4.150 3.853 0.297 18547 8773 1 9 . 1 1 143 143 LEU C C 133 180.300 180.300 179.047 1.253 18547 8774 1 9 . 1 1 143 143 LEU CA C 133 57.300 57.300 57.747 -0.447 18547 8775 1 9 . 1 1 143 143 LEU CB C 133 40.600 40.600 40.446 0.154 18547 8776 1 9 . 1 1 143 143 LEU H H 133 9.190 9.190 8.737 0.453 18547 8777 1 9 . 1 1 144 144 ASP N N 134 122.600 122.600 119.587 3.013 18547 8778 1 9 . 1 1 144 144 ASP HA H 134 4.580 4.580 4.269 0.311 18547 8779 1 9 . 1 1 144 144 ASP C C 134 179.900 179.900 178.596 1.304 18547 8780 1 9 . 1 1 144 144 ASP CA C 134 57.800 57.800 57.430 0.370 18547 8781 1 9 . 1 1 144 144 ASP CB C 134 39.800 39.800 40.882 -1.081 18547 8782 1 9 . 1 1 144 144 ASP H H 134 7.930 7.930 7.830 0.100 18547 8783 1 9 . 1 1 145 145 PHE N N 135 119.300 119.300 117.522 1.778 18547 8784 1 9 . 1 1 145 145 PHE HA H 135 4.580 4.580 4.323 0.257 18547 8785 1 9 . 1 1 145 145 PHE C C 135 178.000 178.000 177.745 0.255 18547 8786 1 9 . 1 1 145 145 PHE CA C 135 61.700 61.700 60.519 1.181 18547 8787 1 9 . 1 1 145 145 PHE CB C 135 39.400 39.400 38.762 0.638 18547 8788 1 9 . 1 1 145 145 PHE H H 135 7.690 7.690 7.463 0.227 18547 8789 1 9 . 1 1 146 146 LEU N N 136 124.400 124.400 119.724 4.676 18547 8790 1 9 . 1 1 146 146 LEU HA H 136 3.200 3.200 3.924 -0.724 18547 8791 1 9 . 1 1 146 146 LEU C C 136 178.800 178.800 178.391 0.409 18547 8792 1 9 . 1 1 146 146 LEU CA C 136 58.400 58.400 56.568 1.832 18547 8793 1 9 . 1 1 146 146 LEU CB C 136 38.800 38.800 40.717 -1.917 18547 8794 1 9 . 1 1 146 146 LEU H H 136 7.930 7.930 8.304 -0.374 18547 8795 1 9 . 1 1 147 147 GLY N N 137 104.200 104.200 106.762 -2.562 18547 8796 1 9 . 1 1 147 147 GLY C C 137 176.100 176.100 175.791 0.309 18547 8797 1 9 . 1 1 147 147 GLY CA C 137 47.900 47.900 47.138 0.762 18547 8798 1 9 . 1 1 147 147 GLY H H 137 8.340 8.340 7.401 0.939 18547 8799 1 9 . 1 1 148 148 MET N N 138 119.300 119.300 118.837 0.463 18547 8800 1 9 . 1 1 148 148 MET HA H 138 4.090 4.090 4.644 -0.554 18547 8801 1 9 . 1 1 148 148 MET C C 138 177.700 177.700 177.385 0.315 18547 8802 1 9 . 1 1 148 148 MET CA C 138 59.400 59.400 57.813 1.587 18547 8803 1 9 . 1 1 148 148 MET CB C 138 34.500 34.500 32.586 1.914 18547 8804 1 9 . 1 1 148 148 MET H H 138 7.550 7.550 7.684 -0.134 18547 8805 1 9 . 1 1 149 149 PHE N N 139 120.400 120.400 121.518 -1.118 18547 8806 1 9 . 1 1 149 149 PHE HA H 139 4.380 4.380 4.243 0.137 18547 8807 1 9 . 1 1 149 149 PHE C C 139 179.100 179.100 176.722 2.378 18547 8808 1 9 . 1 1 149 149 PHE CA C 139 60.800 60.800 61.653 -0.853 18547 8809 1 9 . 1 1 149 149 PHE CB C 139 39.200 39.200 39.300 -0.100 18547 8810 1 9 . 1 1 149 149 PHE H H 139 8.600 8.600 8.031 0.569 18547 8811 1 9 . 1 1 150 150 ILE N N 140 121.300 121.300 116.126 5.174 18547 8812 1 9 . 1 1 150 150 ILE HA H 140 3.420 3.420 3.807 -0.387 18547 8813 1 9 . 1 1 150 150 ILE C C 140 177.500 177.500 176.373 1.127 18547 8814 1 9 . 1 1 150 150 ILE CA C 140 63.100 63.100 63.684 -0.584 18547 8815 1 9 . 1 1 150 150 ILE CB C 140 37.100 37.100 38.825 -1.725 18547 8816 1 9 . 1 1 150 150 ILE H H 140 8.780 8.780 7.720 1.060 18547 8817 1 9 . 1 1 151 151 ARG N N 141 116.500 116.500 119.903 -3.403 18547 8818 1 9 . 1 1 151 151 ARG HA H 141 4.220 4.220 4.550 -0.330 18547 8819 1 9 . 1 1 151 151 ARG C C 141 176.700 176.700 175.165 1.535 18547 8820 1 9 . 1 1 151 151 ARG CA C 141 57.500 57.500 55.292 2.208 18547 8821 1 9 . 1 1 151 151 ARG CB C 141 31.500 31.500 31.169 0.331 18547 8822 1 9 . 1 1 151 151 ARG H H 141 7.730 7.730 7.850 -0.120 18547 8823 1 9 . 1 1 152 152 GLY N N 142 106.800 106.800 110.434 -3.634 18547 8824 1 9 . 1 1 152 152 GLY C C 142 174.900 174.900 172.740 2.160 18547 8825 1 9 . 1 1 152 152 GLY CA C 142 45.700 45.700 45.618 0.082 18547 8826 1 9 . 1 1 152 152 GLY H H 142 7.570 7.570 8.576 -1.006 18547 8827 1 9 . 1 1 153 153 ASP N N 143 119.400 119.400 119.414 -0.014 18547 8828 1 9 . 1 1 153 153 ASP HA H 143 4.780 4.780 4.240 0.540 18547 8829 1 9 . 1 1 153 153 ASP C C 143 175.400 175.400 174.533 0.867 18547 8830 1 9 . 1 1 153 153 ASP CA C 143 54.200 54.200 54.988 -0.788 18547 8831 1 9 . 1 1 153 153 ASP CB C 143 42.100 42.100 40.477 1.623 18547 8832 1 9 . 1 1 153 153 ASP H H 143 8.290 8.290 8.220 0.070 18547 8833 1 9 . 1 1 154 154 LEU N N 144 121.300 121.300 124.120 -2.820 18547 8834 1 9 . 1 1 154 154 LEU HA H 144 4.810 4.810 4.681 0.129 18547 8835 1 9 . 1 1 154 154 LEU CA C 144 52.800 52.800 52.639 0.161 18547 8836 1 9 . 1 1 154 154 LEU CB C 144 42.500 42.500 43.505 -1.005 18547 8837 1 9 . 1 1 154 154 LEU H H 144 8.010 8.010 8.422 -0.412 18547 8838 1 9 . 1 1 155 155 PRO HA H 145 4.480 4.480 4.721 -0.241 18547 8839 1 9 . 1 1 155 155 PRO C C 145 177.600 177.600 177.007 0.593 18547 8840 1 9 . 1 1 155 155 PRO CA C 145 63.500 63.500 62.612 0.888 18547 8841 1 9 . 1 1 155 155 PRO CB C 145 32.200 32.200 32.274 -0.074 18547 8842 1 9 . 1 1 156 156 GLY N N 146 108.900 108.900 113.545 -4.645 18547 8843 1 9 . 1 1 156 156 GLY C C 146 174.300 174.300 173.951 0.349 18547 8844 1 9 . 1 1 156 156 GLY CA C 146 45.100 45.100 44.952 0.148 18547 8845 1 9 . 1 1 156 156 GLY H H 146 8.530 8.530 8.615 -0.085 18547 8846 1 9 . 1 1 157 157 GLY N N 147 108.800 108.800 110.760 -1.960 18547 8847 1 9 . 1 1 157 157 GLY CA C 147 44.500 44.500 44.609 -0.109 18547 8848 1 9 . 1 1 157 157 GLY H H 147 8.080 8.080 8.300 -0.220 18547 8849 1 9 . 1 1 158 158 PRO HA H 148 4.440 4.440 4.323 0.117 18547 8850 1 9 . 1 1 158 158 PRO C C 148 176.800 176.800 176.360 0.440 18547 8851 1 9 . 1 1 158 158 PRO CA C 148 63.000 63.000 63.361 -0.360 18547 8852 1 9 . 1 1 158 158 PRO CB C 148 32.100 32.100 31.740 0.360 18547 8853 1 9 . 1 1 159 159 VAL N N 149 121.400 121.400 122.428 -1.028 18547 8854 1 9 . 1 1 159 159 VAL HA H 149 4.390 4.390 4.340 0.050 18547 8855 1 9 . 1 1 159 159 VAL CA C 149 59.800 59.800 60.427 -0.627 18547 8856 1 9 . 1 1 159 159 VAL CB C 149 32.600 32.600 31.172 1.428 18547 8857 1 9 . 1 1 159 159 VAL H H 149 8.220 8.220 7.859 0.361 18547 8858 1 9 . 1 1 160 160 PRO HA H 150 4.380 4.380 4.267 0.113 18547 8859 1 9 . 1 1 160 160 PRO C C 150 177.200 177.200 177.119 0.081 18547 8860 1 9 . 1 1 160 160 PRO CA C 150 63.300 63.300 65.053 -1.753 18547 8861 1 9 . 1 1 160 160 PRO CB C 150 32.100 32.100 32.227 -0.127 18547 8862 1 9 . 1 1 161 161 GLU N N 151 120.700 120.700 115.648 5.052 18547 8863 1 9 . 1 1 161 161 GLU HA H 151 4.170 4.170 4.436 -0.266 18547 8864 1 9 . 1 1 161 161 GLU CA C 151 57.400 57.400 55.661 1.739 18547 8865 1 9 . 1 1 161 161 GLU CB C 151 29.900 29.900 29.768 0.132 18547 8866 1 9 . 1 1 161 161 GLU H H 151 8.620 8.620 8.360 0.260 18547 8867 1 9 . 1 1 162 162 ASP N N 152 119.900 119.900 121.093 -1.193 18547 8868 1 9 . 1 1 162 162 ASP HA H 152 4.570 4.570 4.893 -0.323 18547 8869 1 9 . 1 1 162 162 ASP C C 152 176.000 176.000 175.447 0.553 18547 8870 1 9 . 1 1 162 162 ASP CA C 152 54.200 54.200 54.916 -0.716 18547 8871 1 9 . 1 1 162 162 ASP CB C 152 41.000 41.000 39.599 1.401 18547 8872 1 9 . 1 1 162 162 ASP H H 152 8.250 8.250 8.366 -0.116 18547 8873 1 9 . 1 1 163 163 ALA N N 153 124.000 124.000 123.147 0.853 18547 8874 1 9 . 1 1 163 163 ALA HA H 153 4.270 4.270 4.511 -0.241 18547 8875 1 9 . 1 1 163 163 ALA C C 153 177.400 177.400 176.007 1.393 18547 8876 1 9 . 1 1 163 163 ALA CA C 153 52.700 52.700 51.590 1.110 18547 8877 1 9 . 1 1 163 163 ALA CB C 153 19.200 19.200 19.982 -0.782 18547 8878 1 9 . 1 1 163 163 ALA H H 153 8.040 8.040 8.047 -0.007 18547 8879 1 9 . 1 1 164 164 ALA N N 154 122.600 122.600 121.185 1.415 18547 8880 1 9 . 1 1 164 164 ALA HA H 154 4.260 4.260 4.029 0.231 18547 8881 1 9 . 1 1 164 164 ALA C C 154 177.900 177.900 177.185 0.715 18547 8882 1 9 . 1 1 164 164 ALA CA C 154 52.600 52.600 52.600 0.000 18547 8883 1 9 . 1 1 164 164 ALA CB C 154 19.300 19.300 17.484 1.816 18547 8884 1 9 . 1 1 164 164 ALA H H 154 8.190 8.190 8.061 0.129 18547 8885 1 9 . 1 1 165 165 GLU N N 155 119.400 119.400 121.739 -2.339 18547 8886 1 9 . 1 1 165 165 GLU HA H 155 4.220 4.220 4.309 -0.089 18547 8887 1 9 . 1 1 165 165 GLU C C 155 176.200 176.200 176.627 -0.427 18547 8888 1 9 . 1 1 165 165 GLU CA C 155 56.500 56.500 55.996 0.504 18547 8889 1 9 . 1 1 165 165 GLU CB C 155 30.300 30.300 28.531 1.769 18547 8890 1 9 . 1 1 165 165 GLU H H 155 8.190 8.190 8.657 -0.467 18547 8891 1 9 . 1 1 166 166 GLU N N 156 121.000 121.000 125.226 -4.226 18547 8892 1 9 . 1 1 166 166 GLU HA H 156 4.240 4.240 3.895 0.345 18547 8893 1 9 . 1 1 166 166 GLU C C 156 175.800 175.800 177.279 -1.479 18547 8894 1 9 . 1 1 166 166 GLU CA C 156 56.300 56.300 59.011 -2.711 18547 8895 1 9 . 1 1 166 166 GLU CB C 156 30.300 30.300 29.596 0.704 18547 8896 1 9 . 1 1 166 166 GLU H H 156 8.230 8.230 7.976 0.254 18547 8897 1 9 . 1 1 167 167 PHE N N 157 121.400 121.400 117.606 3.794 18547 8898 1 9 . 1 1 167 167 PHE HA H 157 4.590 4.590 4.583 0.007 18547 8899 1 9 . 1 1 167 167 PHE C C 157 175.100 175.100 176.296 -1.196 18547 8900 1 9 . 1 1 167 167 PHE CA C 157 57.700 57.700 58.503 -0.803 18547 8901 1 9 . 1 1 167 167 PHE CB C 157 39.900 39.900 39.552 0.348 18547 8902 1 9 . 1 1 167 167 PHE H H 157 8.240 8.240 8.001 0.239 18547 8903 1 9 . 1 1 168 168 GLU N N 158 124.400 124.400 120.621 3.779 18547 8904 1 9 . 1 1 168 168 GLU HA H 158 4.600 4.600 4.525 0.075 18547 8905 1 9 . 1 1 168 168 GLU CA C 158 53.700 53.700 54.545 -0.845 18547 8906 1 9 . 1 1 168 168 GLU CB C 158 30.400 30.400 29.602 0.798 18547 8907 1 9 . 1 1 168 168 GLU H H 158 8.130 8.130 8.257 -0.127 18547 8908 1 9 . 1 1 169 169 PRO HA H 159 4.460 4.460 4.458 0.002 18547 8909 1 9 . 1 1 169 169 PRO C C 159 176.200 176.200 175.941 0.259 18547 8910 1 9 . 1 1 169 169 PRO CA C 159 62.800 62.800 63.135 -0.335 18547 8911 1 9 . 1 1 169 169 PRO CB C 159 32.300 32.300 31.393 0.907 18547 8912 1 9 . 1 1 170 170 SER N N 160 118.600 118.600 120.668 -2.068 18547 8913 1 9 . 1 1 170 170 SER HA H 160 4.780 4.780 4.878 -0.098 18547 8914 1 9 . 1 1 170 170 SER CA C 160 56.200 56.200 55.086 1.114 18547 8915 1 9 . 1 1 170 170 SER CB C 160 63.200 63.200 63.193 0.007 18547 8916 1 9 . 1 1 170 170 SER H H 160 8.290 8.290 7.981 0.309 18547 8917 1 9 . 1 1 171 171 PRO HA H 161 4.350 4.350 4.081 0.269 18547 8918 1 9 . 1 1 171 171 PRO C C 161 179.400 179.400 178.794 0.606 18547 8919 1 9 . 1 1 171 171 PRO CA C 161 65.500 65.500 65.734 -0.234 18547 8920 1 9 . 1 1 171 171 PRO CB C 161 31.700 31.700 31.927 -0.227 18547 8921 1 9 . 1 1 172 172 GLU N N 162 118.300 118.300 116.279 2.021 18547 8922 1 9 . 1 1 172 172 GLU HA H 162 4.160 4.160 4.051 0.109 18547 8923 1 9 . 1 1 172 172 GLU C C 162 178.300 178.300 178.503 -0.203 18547 8924 1 9 . 1 1 172 172 GLU CA C 162 59.300 59.300 59.318 -0.018 18547 8925 1 9 . 1 1 172 172 GLU CB C 162 29.400 29.400 29.367 0.033 18547 8926 1 9 . 1 1 172 172 GLU H H 162 8.540 8.540 8.465 0.075 18547 8927 1 9 . 1 1 173 173 MET N N 163 119.400 119.400 120.202 -0.802 18547 8928 1 9 . 1 1 173 173 MET HA H 163 4.260 4.260 4.286 -0.026 18547 8929 1 9 . 1 1 173 173 MET C C 163 179.200 179.200 178.226 0.974 18547 8930 1 9 . 1 1 173 173 MET CA C 163 58.200 58.200 57.627 0.573 18547 8931 1 9 . 1 1 173 173 MET CB C 163 32.500 32.500 32.114 0.386 18547 8932 1 9 . 1 1 173 173 MET H H 163 7.830 7.830 7.683 0.147 18547 8933 1 9 . 1 1 174 174 MET N N 164 119.300 119.300 119.388 -0.088 18547 8934 1 9 . 1 1 174 174 MET HA H 164 4.260 4.260 4.121 0.139 18547 8935 1 9 . 1 1 174 174 MET C C 164 178.600 178.600 178.758 -0.158 18547 8936 1 9 . 1 1 174 174 MET CA C 164 58.200 58.200 58.833 -0.633 18547 8937 1 9 . 1 1 174 174 MET CB C 164 31.900 31.900 31.774 0.126 18547 8938 1 9 . 1 1 174 174 MET H H 164 8.320 8.320 8.320 0.000 18547 8939 1 9 . 1 1 175 175 ARG N N 165 121.200 121.200 119.760 1.440 18547 8940 1 9 . 1 1 175 175 ARG HA H 165 4.160 4.160 4.044 0.116 18547 8941 1 9 . 1 1 175 175 ARG C C 165 178.800 178.800 178.401 0.399 18547 8942 1 9 . 1 1 175 175 ARG CA C 165 59.400 59.400 59.409 -0.009 18547 8943 1 9 . 1 1 175 175 ARG CB C 165 29.900 29.900 30.067 -0.167 18547 8944 1 9 . 1 1 175 175 ARG H H 165 8.020 8.020 7.517 0.503 18547 8945 1 9 . 1 1 176 176 ILE N N 166 120.500 120.500 119.786 0.714 18547 8946 1 9 . 1 1 176 176 ILE HA H 166 3.920 3.920 3.583 0.337 18547 8947 1 9 . 1 1 176 176 ILE C C 166 178.500 178.500 177.952 0.548 18547 8948 1 9 . 1 1 176 176 ILE CA C 166 64.500 64.500 65.543 -1.044 18547 8949 1 9 . 1 1 176 176 ILE CB C 166 37.900 37.900 37.737 0.163 18547 8950 1 9 . 1 1 176 176 ILE H H 166 8.110 8.110 8.294 -0.184 18547 8951 1 9 . 1 1 177 177 SER N N 167 116.300 116.300 114.090 2.210 18547 8952 1 9 . 1 1 177 177 SER HA H 167 4.240 4.240 4.216 0.024 18547 8953 1 9 . 1 1 177 177 SER C C 167 177.300 177.300 176.964 0.336 18547 8954 1 9 . 1 1 177 177 SER CA C 167 62.500 62.500 61.153 1.347 18547 8955 1 9 . 1 1 177 177 SER CB C 167 62.800 62.800 62.721 0.079 18547 8956 1 9 . 1 1 177 177 SER H H 167 8.290 8.290 8.213 0.077 18547 8957 1 9 . 1 1 178 178 GLN N N 168 123.300 123.300 120.898 2.402 18547 8958 1 9 . 1 1 178 178 GLN HA H 168 4.110 4.110 4.233 -0.123 18547 8959 1 9 . 1 1 178 178 GLN C C 168 178.600 178.600 178.040 0.560 18547 8960 1 9 . 1 1 178 178 GLN CA C 168 59.200 59.200 58.169 1.031 18547 8961 1 9 . 1 1 178 178 GLN CB C 168 28.000 28.000 28.098 -0.098 18547 8962 1 9 . 1 1 178 178 GLN H H 168 8.080 8.080 7.675 0.405 18547 8963 1 9 . 1 1 179 179 GLU N N 169 121.200 121.200 120.665 0.535 18547 8964 1 9 . 1 1 179 179 GLU HA H 169 4.090 4.090 4.036 0.054 18547 8965 1 9 . 1 1 179 179 GLU C C 169 180.500 180.500 179.126 1.374 18547 8966 1 9 . 1 1 179 179 GLU CA C 169 59.500 59.500 59.275 0.225 18547 8967 1 9 . 1 1 179 179 GLU CB C 169 29.700 29.700 29.214 0.486 18547 8968 1 9 . 1 1 179 179 GLU H H 169 8.380 8.380 8.463 -0.083 18547 8969 1 9 . 1 1 180 180 ARG N N 170 120.800 120.800 119.253 1.547 18547 8970 1 9 . 1 1 180 180 ARG HA H 170 4.010 4.010 4.190 -0.180 18547 8971 1 9 . 1 1 180 180 ARG C C 170 178.100 178.100 179.042 -0.942 18547 8972 1 9 . 1 1 180 180 ARG CA C 170 59.900 59.900 58.588 1.312 18547 8973 1 9 . 1 1 180 180 ARG CB C 170 30.600 30.600 29.742 0.858 18547 8974 1 9 . 1 1 180 180 ARG H H 170 8.670 8.670 8.087 0.583 18547 8975 1 9 . 1 1 181 181 GLY N N 171 108.200 108.200 107.066 1.134 18547 8976 1 9 . 1 1 181 181 GLY C C 171 176.600 176.600 176.862 -0.262 18547 8977 1 9 . 1 1 181 181 GLY CA C 171 47.800 47.800 47.233 0.566 18547 8978 1 9 . 1 1 181 181 GLY H H 171 8.550 8.550 8.055 0.495 18547 8979 1 9 . 1 1 182 182 GLU N N 172 121.900 121.900 122.137 -0.237 18547 8980 1 9 . 1 1 182 182 GLU HA H 172 4.110 4.110 4.081 0.029 18547 8981 1 9 . 1 1 182 182 GLU C C 172 179.300 179.300 179.020 0.280 18547 8982 1 9 . 1 1 182 182 GLU CA C 172 59.300 59.300 59.134 0.166 18547 8983 1 9 . 1 1 182 182 GLU CB C 172 29.300 29.300 29.270 0.030 18547 8984 1 9 . 1 1 182 182 GLU H H 172 8.190 8.190 8.198 -0.008 18547 8985 1 9 . 1 1 183 183 ALA N N 173 123.500 123.500 121.796 1.704 18547 8986 1 9 . 1 1 183 183 ALA HA H 173 4.150 4.150 4.082 0.068 18547 8987 1 9 . 1 1 183 183 ALA C C 173 181.500 181.500 179.805 1.695 18547 8988 1 9 . 1 1 183 183 ALA CA C 173 55.000 55.000 54.674 0.326 18547 8989 1 9 . 1 1 183 183 ALA CB C 173 17.100 17.100 18.171 -1.071 18547 8990 1 9 . 1 1 183 183 ALA H H 173 7.800 7.800 7.680 0.120 18547 8991 1 9 . 1 1 184 184 TRP N N 174 118.100 118.100 118.384 -0.284 18547 8992 1 9 . 1 1 184 184 TRP HA H 174 4.540 4.540 4.285 0.255 18547 8993 1 9 . 1 1 184 184 TRP C C 174 178.500 178.500 178.206 0.294 18547 8994 1 9 . 1 1 184 184 TRP CA C 174 60.600 60.600 60.027 0.573 18547 8995 1 9 . 1 1 184 184 TRP CB C 174 30.800 30.800 29.421 1.379 18547 8996 1 9 . 1 1 184 184 TRP H H 174 8.400 8.400 8.294 0.106 18547 8997 1 9 . 1 1 185 185 ALA N N 175 121.700 121.700 121.400 0.300 18547 8998 1 9 . 1 1 185 185 ALA HA H 175 3.920 3.920 4.128 -0.208 18547 8999 1 9 . 1 1 185 185 ALA C C 175 179.600 179.600 179.306 0.294 18547 9000 1 9 . 1 1 185 185 ALA CA C 175 55.600 55.600 54.952 0.648 18547 9001 1 9 . 1 1 185 185 ALA CB C 175 17.900 17.900 17.999 -0.099 18547 9002 1 9 . 1 1 185 185 ALA H H 175 8.800 8.800 8.073 0.727 18547 9003 1 9 . 1 1 186 186 ALA N N 176 119.000 119.000 120.838 -1.838 18547 9004 1 9 . 1 1 186 186 ALA HA H 176 4.190 4.190 4.049 0.141 18547 9005 1 9 . 1 1 186 186 ALA C C 176 180.300 180.300 179.583 0.717 18547 9006 1 9 . 1 1 186 186 ALA CA C 176 54.800 54.800 54.760 0.040 18547 9007 1 9 . 1 1 186 186 ALA CB C 176 17.900 17.900 18.608 -0.708 18547 9008 1 9 . 1 1 186 186 ALA H H 176 7.860 7.860 7.700 0.160 18547 9009 1 9 . 1 1 187 187 LEU N N 177 118.500 118.500 118.698 -0.198 18547 9010 1 9 . 1 1 187 187 LEU HA H 177 4.210 4.210 4.076 0.134 18547 9011 1 9 . 1 1 187 187 LEU C C 177 179.400 179.400 179.070 0.330 18547 9012 1 9 . 1 1 187 187 LEU CA C 177 57.600 57.600 57.449 0.151 18547 9013 1 9 . 1 1 187 187 LEU CB C 177 42.700 42.700 42.096 0.604 18547 9014 1 9 . 1 1 187 187 LEU H H 177 7.460 7.460 7.754 -0.294 18547 9015 1 9 . 1 1 188 188 VAL N N 178 118.500 118.500 116.894 1.606 18547 9016 1 9 . 1 1 188 188 VAL HA H 178 3.660 3.660 3.759 -0.099 18547 9017 1 9 . 1 1 188 188 VAL C C 178 177.600 177.600 176.907 0.693 18547 9018 1 9 . 1 1 188 188 VAL CA C 178 66.000 66.000 64.742 1.258 18547 9019 1 9 . 1 1 188 188 VAL CB C 178 32.400 32.400 32.180 0.220 18547 9020 1 9 . 1 1 188 188 VAL H H 178 8.640 8.640 7.929 0.711 18547 9021 1 9 . 1 1 189 189 HIS N N 179 116.000 116.000 116.340 -0.340 18547 9022 1 9 . 1 1 189 189 HIS HA H 179 4.780 4.780 4.631 0.149 18547 9023 1 9 . 1 1 189 189 HIS C C 179 175.300 175.300 175.285 0.015 18547 9024 1 9 . 1 1 189 189 HIS CA C 179 56.200 56.200 57.097 -0.897 18547 9025 1 9 . 1 1 189 189 HIS CB C 179 28.500 28.500 30.464 -1.964 18547 9026 1 9 . 1 1 189 189 HIS H H 179 8.150 8.150 7.621 0.529 18547 9027 1 9 . 1 1 190 190 SER N N 180 115.000 115.000 115.679 -0.679 18547 9028 1 9 . 1 1 190 190 SER HA H 180 4.480 4.480 4.323 0.157 18547 9029 1 9 . 1 1 190 190 SER C C 180 175.100 175.100 174.745 0.355 18547 9030 1 9 . 1 1 190 190 SER CA C 180 59.500 59.500 58.681 0.819 18547 9031 1 9 . 1 1 190 190 SER CB C 180 64.000 64.000 62.600 1.399 18547 9032 1 9 . 1 1 190 190 SER H H 180 7.820 7.820 7.385 0.435 18547 9033 1 9 . 1 1 191 191 GLY N N 181 111.100 111.100 115.132 -4.032 18547 9034 1 9 . 1 1 191 191 GLY C C 181 173.400 173.400 174.054 -0.654 18547 9035 1 9 . 1 1 191 191 GLY CA C 181 45.500 45.500 44.847 0.653 18547 9036 1 9 . 1 1 191 191 GLY H H 181 8.330 8.330 8.030 0.300 18547 9037 1 10 . 1 1 12 12 ALA N N 2 125.600 125.600 123.247 2.353 18547 9038 1 10 . 1 1 12 12 ALA HA H 2 4.300 4.300 4.680 -0.380 18547 9039 1 10 . 1 1 12 12 ALA C C 2 177.600 177.600 178.368 -0.768 18547 9040 1 10 . 1 1 12 12 ALA CA C 2 52.600 52.600 51.868 0.732 18547 9041 1 10 . 1 1 12 12 ALA CB C 2 19.200 19.200 19.352 -0.152 18547 9042 1 10 . 1 1 12 12 ALA H H 2 8.380 8.380 7.815 0.565 18547 9043 1 10 . 1 1 13 13 SER N N 3 115.000 115.000 115.941 -0.941 18547 9044 1 10 . 1 1 13 13 SER HA H 3 4.390 4.390 4.176 0.214 18547 9045 1 10 . 1 1 13 13 SER C C 3 175.100 175.100 176.177 -1.077 18547 9046 1 10 . 1 1 13 13 SER CA C 3 58.500 58.500 59.135 -0.635 18547 9047 1 10 . 1 1 13 13 SER CB C 3 63.800 63.800 63.494 0.306 18547 9048 1 10 . 1 1 13 13 SER H H 3 8.250 8.250 8.359 -0.109 18547 9049 1 10 . 1 1 14 14 GLY N N 4 110.700 110.700 108.589 2.111 18547 9050 1 10 . 1 1 14 14 GLY C C 4 174.000 174.000 172.809 1.191 18547 9051 1 10 . 1 1 14 14 GLY CA C 4 45.400 45.400 45.534 -0.134 18547 9052 1 10 . 1 1 14 14 GLY H H 4 8.390 8.390 8.711 -0.321 18547 9053 1 10 . 1 1 15 15 GLN N N 5 120.100 120.100 119.877 0.223 18547 9054 1 10 . 1 1 15 15 GLN HA H 5 4.310 4.310 5.169 -0.859 18547 9055 1 10 . 1 1 15 15 GLN C C 5 175.500 175.500 174.115 1.385 18547 9056 1 10 . 1 1 15 15 GLN CA C 5 55.600 55.600 54.199 1.401 18547 9057 1 10 . 1 1 15 15 GLN CB C 5 29.700 29.700 31.773 -2.073 18547 9058 1 10 . 1 1 15 15 GLN H H 5 8.190 8.190 7.731 0.459 18547 9059 1 10 . 1 1 16 16 ALA N N 6 126.000 126.000 128.750 -2.750 18547 9060 1 10 . 1 1 16 16 ALA HA H 6 4.360 4.360 4.749 -0.389 18547 9061 1 10 . 1 1 16 16 ALA C C 6 177.300 177.300 175.753 1.547 18547 9062 1 10 . 1 1 16 16 ALA CA C 6 52.300 52.300 51.308 0.992 18547 9063 1 10 . 1 1 16 16 ALA CB C 6 19.200 19.200 21.114 -1.914 18547 9064 1 10 . 1 1 16 16 ALA H H 6 8.400 8.400 8.179 0.221 18547 9065 1 10 . 1 1 17 17 THR N N 7 119.200 119.200 121.188 -1.988 18547 9066 1 10 . 1 1 17 17 THR HA H 7 4.370 4.370 5.039 -0.669 18547 9067 1 10 . 1 1 17 17 THR C C 7 173.600 173.600 174.383 -0.783 18547 9068 1 10 . 1 1 17 17 THR CA C 7 63.200 63.200 61.705 1.495 18547 9069 1 10 . 1 1 17 17 THR CB C 7 70.600 70.600 69.772 0.828 18547 9070 1 10 . 1 1 17 17 THR H H 7 8.180 8.180 8.502 -0.322 18547 9071 1 10 . 1 1 18 18 GLU N N 8 127.500 127.500 128.221 -0.721 18547 9072 1 10 . 1 1 18 18 GLU HA H 8 4.540 4.540 4.636 -0.096 18547 9073 1 10 . 1 1 18 18 GLU C C 8 174.200 174.200 175.171 -0.971 18547 9074 1 10 . 1 1 18 18 GLU CA C 8 55.100 55.100 54.955 0.145 18547 9075 1 10 . 1 1 18 18 GLU CB C 8 31.900 31.900 31.300 0.600 18547 9076 1 10 . 1 1 18 18 GLU H H 8 8.810 8.810 8.618 0.192 18547 9077 1 10 . 1 1 19 19 ARG N N 9 122.100 122.100 123.476 -1.376 18547 9078 1 10 . 1 1 19 19 ARG HA H 9 5.060 5.060 5.008 0.052 18547 9079 1 10 . 1 1 19 19 ARG C C 9 175.000 175.000 175.235 -0.235 18547 9080 1 10 . 1 1 19 19 ARG CA C 9 54.800 54.800 55.031 -0.231 18547 9081 1 10 . 1 1 19 19 ARG CB C 9 31.600 31.600 31.356 0.244 18547 9082 1 10 . 1 1 19 19 ARG H H 9 8.070 8.070 8.568 -0.498 18547 9083 1 10 . 1 1 20 20 ALA N N 10 126.300 126.300 123.528 2.772 18547 9084 1 10 . 1 1 20 20 ALA HA H 10 4.640 4.640 4.623 0.017 18547 9085 1 10 . 1 1 20 20 ALA C C 10 173.800 173.800 174.863 -1.063 18547 9086 1 10 . 1 1 20 20 ALA CA C 10 51.100 51.100 51.502 -0.402 18547 9087 1 10 . 1 1 20 20 ALA CB C 10 22.800 22.800 21.682 1.118 18547 9088 1 10 . 1 1 20 20 ALA H H 10 9.390 9.390 8.454 0.936 18547 9089 1 10 . 1 1 21 21 LEU N N 11 117.500 117.500 119.444 -1.944 18547 9090 1 10 . 1 1 21 21 LEU HA H 11 5.790 5.790 5.527 0.263 18547 9091 1 10 . 1 1 21 21 LEU C C 11 178.100 178.100 175.833 2.267 18547 9092 1 10 . 1 1 21 21 LEU CA C 11 53.100 53.100 53.693 -0.593 18547 9093 1 10 . 1 1 21 21 LEU CB C 11 45.400 45.400 46.714 -1.314 18547 9094 1 10 . 1 1 21 21 LEU H H 11 8.280 8.280 8.372 -0.092 18547 9095 1 10 . 1 1 22 22 GLY N N 12 113.400 113.400 108.127 5.273 18547 9096 1 10 . 1 1 22 22 GLY C C 12 174.800 174.800 172.023 2.777 18547 9097 1 10 . 1 1 22 22 GLY CA C 12 44.500 44.500 45.492 -0.992 18547 9098 1 10 . 1 1 22 22 GLY H H 12 8.830 8.830 8.777 0.053 18547 9099 1 10 . 1 1 23 23 ARG N N 13 119.600 119.600 118.059 1.541 18547 9100 1 10 . 1 1 23 23 ARG HA H 13 5.040 5.040 4.715 0.325 18547 9101 1 10 . 1 1 23 23 ARG C C 13 174.900 174.900 174.615 0.285 18547 9102 1 10 . 1 1 23 23 ARG CA C 13 55.800 55.800 54.780 1.020 18547 9103 1 10 . 1 1 23 23 ARG CB C 13 33.600 33.600 32.719 0.881 18547 9104 1 10 . 1 1 23 23 ARG H H 13 8.160 8.160 8.328 -0.168 18547 9105 1 10 . 1 1 24 24 ARG N N 14 121.900 121.900 123.777 -1.877 18547 9106 1 10 . 1 1 24 24 ARG HA H 14 4.530 4.530 4.638 -0.108 18547 9107 1 10 . 1 1 24 24 ARG C C 14 174.000 174.000 174.588 -0.588 18547 9108 1 10 . 1 1 24 24 ARG CA C 14 55.200 55.200 55.245 -0.044 18547 9109 1 10 . 1 1 24 24 ARG CB C 14 34.700 34.700 32.941 1.759 18547 9110 1 10 . 1 1 24 24 ARG H H 14 8.780 8.780 8.925 -0.145 18547 9111 1 10 . 1 1 25 25 THR N N 15 121.700 121.700 122.524 -0.824 18547 9112 1 10 . 1 1 25 25 THR HA H 15 4.420 4.420 4.423 -0.003 18547 9113 1 10 . 1 1 25 25 THR C C 15 173.700 173.700 174.284 -0.584 18547 9114 1 10 . 1 1 25 25 THR CA C 15 63.600 63.600 62.751 0.849 18547 9115 1 10 . 1 1 25 25 THR CB C 15 68.600 68.600 68.535 0.065 18547 9116 1 10 . 1 1 25 25 THR H H 15 8.800 8.800 8.442 0.358 18547 9117 1 10 . 1 1 26 26 ILE N N 16 124.200 124.200 124.227 -0.027 18547 9118 1 10 . 1 1 26 26 ILE HA H 16 4.940 4.940 4.853 0.087 18547 9119 1 10 . 1 1 26 26 ILE CA C 16 59.300 59.300 57.428 1.872 18547 9120 1 10 . 1 1 26 26 ILE CB C 16 38.200 38.200 37.653 0.547 18547 9121 1 10 . 1 1 26 26 ILE H H 16 8.420 8.420 7.877 0.543 18547 9122 1 10 . 1 1 27 27 PRO HA H 17 4.180 4.180 4.215 -0.035 18547 9123 1 10 . 1 1 27 27 PRO C C 17 178.100 178.100 176.917 1.183 18547 9124 1 10 . 1 1 27 27 PRO CA C 17 67.200 67.200 65.519 1.681 18547 9125 1 10 . 1 1 27 27 PRO CB C 17 30.700 30.700 31.271 -0.571 18547 9126 1 10 . 1 1 28 28 ALA N N 18 114.800 114.800 118.636 -3.836 18547 9127 1 10 . 1 1 28 28 ALA HA H 18 4.270 4.270 4.396 -0.126 18547 9128 1 10 . 1 1 28 28 ALA C C 18 177.000 177.000 177.486 -0.486 18547 9129 1 10 . 1 1 28 28 ALA CA C 18 53.100 53.100 52.104 0.996 18547 9130 1 10 . 1 1 28 28 ALA CB C 18 19.500 19.500 18.925 0.575 18547 9131 1 10 . 1 1 28 28 ALA H H 18 8.060 8.060 8.041 0.019 18547 9132 1 10 . 1 1 29 29 GLY N N 19 107.100 107.100 107.281 -0.181 18547 9133 1 10 . 1 1 29 29 GLY C C 19 171.900 171.900 172.547 -0.647 18547 9134 1 10 . 1 1 29 29 GLY CA C 19 44.000 44.000 44.340 -0.340 18547 9135 1 10 . 1 1 29 29 GLY H H 19 8.140 8.140 7.435 0.705 18547 9136 1 10 . 1 1 30 30 GLU N N 20 120.000 120.000 120.221 -0.221 18547 9137 1 10 . 1 1 30 30 GLU HA H 20 4.320 4.320 4.200 0.120 18547 9138 1 10 . 1 1 30 30 GLU C C 20 175.600 175.600 175.889 -0.289 18547 9139 1 10 . 1 1 30 30 GLU CA C 20 57.300 57.300 56.416 0.884 18547 9140 1 10 . 1 1 30 30 GLU CB C 20 29.100 29.100 29.077 0.023 18547 9141 1 10 . 1 1 30 30 GLU H H 20 8.380 8.380 8.576 -0.196 18547 9142 1 10 . 1 1 31 31 ALA N N 21 129.500 129.500 128.216 1.284 18547 9143 1 10 . 1 1 31 31 ALA HA H 21 4.610 4.610 4.387 0.223 18547 9144 1 10 . 1 1 31 31 ALA C C 21 177.200 177.200 176.817 0.383 18547 9145 1 10 . 1 1 31 31 ALA CA C 21 51.200 51.200 52.061 -0.861 18547 9146 1 10 . 1 1 31 31 ALA CB C 21 22.500 22.500 20.342 2.158 18547 9147 1 10 . 1 1 31 31 ALA H H 21 8.660 8.660 8.079 0.581 18547 9148 1 10 . 1 1 32 32 ARG N N 22 120.400 120.400 118.829 1.571 18547 9149 1 10 . 1 1 32 32 ARG HA H 22 4.950 4.950 4.707 0.243 18547 9150 1 10 . 1 1 32 32 ARG C C 22 173.400 173.400 175.220 -1.820 18547 9151 1 10 . 1 1 32 32 ARG CA C 22 55.500 55.500 54.142 1.359 18547 9152 1 10 . 1 1 32 32 ARG CB C 22 32.500 32.500 33.359 -0.859 18547 9153 1 10 . 1 1 32 32 ARG H H 22 8.090 8.090 8.138 -0.048 18547 9154 1 10 . 1 1 33 33 SER N N 23 113.800 113.800 113.920 -0.120 18547 9155 1 10 . 1 1 33 33 SER HA H 23 5.560 5.560 5.482 0.078 18547 9156 1 10 . 1 1 33 33 SER C C 23 174.500 174.500 173.791 0.709 18547 9157 1 10 . 1 1 33 33 SER CA C 23 55.600 55.600 56.445 -0.845 18547 9158 1 10 . 1 1 33 33 SER CB C 23 67.300 67.300 66.488 0.812 18547 9159 1 10 . 1 1 33 33 SER H H 23 8.080 8.080 8.457 -0.377 18547 9160 1 10 . 1 1 34 34 ILE N N 24 112.700 112.700 118.259 -5.559 18547 9161 1 10 . 1 1 34 34 ILE HA H 24 4.950 4.950 4.712 0.238 18547 9162 1 10 . 1 1 34 34 ILE C C 24 175.400 175.400 174.438 0.962 18547 9163 1 10 . 1 1 34 34 ILE CA C 24 58.300 58.300 60.324 -2.024 18547 9164 1 10 . 1 1 34 34 ILE CB C 24 39.900 39.900 39.120 0.780 18547 9165 1 10 . 1 1 34 34 ILE H H 24 7.980 7.980 8.460 -0.480 18547 9166 1 10 . 1 1 35 35 ILE N N 25 121.800 121.800 126.947 -5.147 18547 9167 1 10 . 1 1 35 35 ILE HA H 25 4.960 4.960 4.582 0.378 18547 9168 1 10 . 1 1 35 35 ILE C C 25 174.800 174.800 174.746 0.054 18547 9169 1 10 . 1 1 35 35 ILE CA C 25 60.700 60.700 60.012 0.688 18547 9170 1 10 . 1 1 35 35 ILE CB C 25 41.300 41.300 40.289 1.011 18547 9171 1 10 . 1 1 35 35 ILE H H 25 8.960 8.960 8.256 0.704 18547 9172 1 10 . 1 1 36 36 ILE N N 26 127.900 127.900 128.321 -0.421 18547 9173 1 10 . 1 1 36 36 ILE HA H 26 4.770 4.770 4.519 0.251 18547 9174 1 10 . 1 1 36 36 ILE C C 26 175.000 175.000 174.888 0.112 18547 9175 1 10 . 1 1 36 36 ILE CA C 26 59.900 59.900 60.583 -0.683 18547 9176 1 10 . 1 1 36 36 ILE CB C 26 42.100 42.100 38.504 3.596 18547 9177 1 10 . 1 1 36 36 ILE H H 26 9.210 9.210 8.301 0.909 18547 9178 1 10 . 1 1 37 37 ARG N N 27 124.100 124.100 127.819 -3.719 18547 9179 1 10 . 1 1 37 37 ARG HA H 27 5.850 5.850 5.256 0.594 18547 9180 1 10 . 1 1 37 37 ARG C C 27 176.200 176.200 175.027 1.173 18547 9181 1 10 . 1 1 37 37 ARG CA C 27 54.100 54.100 54.720 -0.620 18547 9182 1 10 . 1 1 37 37 ARG CB C 27 32.900 32.900 32.329 0.571 18547 9183 1 10 . 1 1 37 37 ARG H H 27 8.670 8.670 8.661 0.009 18547 9184 1 10 . 1 1 38 38 GLN N N 28 122.900 122.900 122.539 0.361 18547 9185 1 10 . 1 1 38 38 GLN HA H 28 4.710 4.710 5.287 -0.577 18547 9186 1 10 . 1 1 38 38 GLN C C 28 173.200 173.200 173.472 -0.272 18547 9187 1 10 . 1 1 38 38 GLN CA C 28 54.400 54.400 54.950 -0.550 18547 9188 1 10 . 1 1 38 38 GLN CB C 28 35.200 35.200 33.481 1.719 18547 9189 1 10 . 1 1 38 38 GLN H H 28 9.310 9.310 8.324 0.986 18547 9190 1 10 . 1 1 39 39 ARG N N 29 121.400 121.400 124.537 -3.137 18547 9191 1 10 . 1 1 39 39 ARG HA H 29 5.260 5.260 5.140 0.120 18547 9192 1 10 . 1 1 39 39 ARG C C 29 175.400 175.400 175.388 0.012 18547 9193 1 10 . 1 1 39 39 ARG CA C 29 55.100 55.100 54.558 0.542 18547 9194 1 10 . 1 1 39 39 ARG CB C 29 32.500 32.500 32.618 -0.118 18547 9195 1 10 . 1 1 39 39 ARG H H 29 8.510 8.510 7.982 0.528 18547 9196 1 10 . 1 1 40 40 TYR N N 30 120.000 120.000 123.992 -3.992 18547 9197 1 10 . 1 1 40 40 TYR HA H 30 4.600 4.600 5.102 -0.502 18547 9198 1 10 . 1 1 40 40 TYR C C 30 175.600 175.600 176.356 -0.756 18547 9199 1 10 . 1 1 40 40 TYR CA C 30 56.900 56.900 56.932 -0.032 18547 9200 1 10 . 1 1 40 40 TYR CB C 30 42.700 42.700 40.191 2.509 18547 9201 1 10 . 1 1 40 40 TYR H H 30 9.140 9.140 8.865 0.275 18547 9202 1 10 . 1 1 41 41 ASP N N 31 126.400 126.400 121.947 4.453 18547 9203 1 10 . 1 1 41 41 ASP HA H 31 4.880 4.880 4.607 0.273 18547 9204 1 10 . 1 1 41 41 ASP C C 31 174.500 174.500 174.596 -0.096 18547 9205 1 10 . 1 1 41 41 ASP CA C 31 53.200 53.200 53.537 -0.337 18547 9206 1 10 . 1 1 41 41 ASP CB C 31 39.200 39.200 40.345 -1.145 18547 9207 1 10 . 1 1 41 41 ASP H H 31 9.140 9.140 8.394 0.746 18547 9208 1 10 . 1 1 42 42 ALA N N 32 123.100 123.100 120.810 2.290 18547 9209 1 10 . 1 1 42 42 ALA HA H 32 4.690 4.690 4.719 -0.029 18547 9210 1 10 . 1 1 42 42 ALA CA C 32 50.100 50.100 49.239 0.861 18547 9211 1 10 . 1 1 42 42 ALA CB C 32 20.200 20.200 20.778 -0.578 18547 9212 1 10 . 1 1 42 42 ALA H H 32 7.770 7.770 7.357 0.413 18547 9213 1 10 . 1 1 43 43 PRO HA H 33 4.650 4.650 4.528 0.122 18547 9214 1 10 . 1 1 43 43 PRO C C 33 178.100 178.100 177.658 0.442 18547 9215 1 10 . 1 1 43 43 PRO CA C 33 62.000 62.000 62.369 -0.369 18547 9216 1 10 . 1 1 43 43 PRO CB C 33 33.000 33.000 32.852 0.148 18547 9217 1 10 . 1 1 44 44 VAL N N 34 123.500 123.500 119.954 3.546 18547 9218 1 10 . 1 1 44 44 VAL HA H 34 3.960 3.960 3.705 0.255 18547 9219 1 10 . 1 1 44 44 VAL C C 34 177.500 177.500 177.892 -0.392 18547 9220 1 10 . 1 1 44 44 VAL CA C 34 66.000 66.000 66.813 -0.813 18547 9221 1 10 . 1 1 44 44 VAL CB C 34 32.000 32.000 31.501 0.499 18547 9222 1 10 . 1 1 44 44 VAL H H 34 8.570 8.570 8.672 -0.102 18547 9223 1 10 . 1 1 45 45 ASP N N 35 116.200 116.200 119.215 -3.015 18547 9224 1 10 . 1 1 45 45 ASP HA H 35 4.290 4.290 4.332 -0.042 18547 9225 1 10 . 1 1 45 45 ASP C C 35 178.800 178.800 178.978 -0.178 18547 9226 1 10 . 1 1 45 45 ASP CA C 35 57.500 57.500 57.774 -0.274 18547 9227 1 10 . 1 1 45 45 ASP CB C 35 40.400 40.400 40.107 0.293 18547 9228 1 10 . 1 1 45 45 ASP H H 35 8.520 8.520 8.746 -0.226 18547 9229 1 10 . 1 1 46 46 GLU N N 36 120.100 120.100 118.791 1.309 18547 9230 1 10 . 1 1 46 46 GLU HA H 36 4.260 4.260 4.248 0.012 18547 9231 1 10 . 1 1 46 46 GLU C C 36 179.000 179.000 179.133 -0.133 18547 9232 1 10 . 1 1 46 46 GLU CA C 36 58.400 58.400 58.622 -0.222 18547 9233 1 10 . 1 1 46 46 GLU CB C 36 29.700 29.700 29.181 0.519 18547 9234 1 10 . 1 1 46 46 GLU H H 36 7.360 7.360 7.818 -0.458 18547 9235 1 10 . 1 1 47 47 VAL N N 37 121.800 121.800 120.542 1.258 18547 9236 1 10 . 1 1 47 47 VAL HA H 37 3.370 3.370 3.830 -0.460 18547 9237 1 10 . 1 1 47 47 VAL C C 37 177.100 177.100 177.591 -0.491 18547 9238 1 10 . 1 1 47 47 VAL CA C 37 66.900 66.900 66.558 0.342 18547 9239 1 10 . 1 1 47 47 VAL CB C 37 31.000 31.000 31.637 -0.637 18547 9240 1 10 . 1 1 47 47 VAL H H 37 7.680 7.680 7.707 -0.027 18547 9241 1 10 . 1 1 48 48 TRP N N 38 119.800 119.800 121.900 -2.100 18547 9242 1 10 . 1 1 48 48 TRP HA H 38 3.990 3.990 4.331 -0.341 18547 9243 1 10 . 1 1 48 48 TRP C C 38 180.700 180.700 177.888 2.812 18547 9244 1 10 . 1 1 48 48 TRP CA C 38 60.900 60.900 60.389 0.511 18547 9245 1 10 . 1 1 48 48 TRP CB C 38 29.300 29.300 29.889 -0.589 18547 9246 1 10 . 1 1 48 48 TRP H H 38 9.160 9.160 8.799 0.361 18547 9247 1 10 . 1 1 49 49 SER N N 39 116.100 116.100 116.224 -0.124 18547 9248 1 10 . 1 1 49 49 SER HA H 39 4.010 4.010 4.465 -0.455 18547 9249 1 10 . 1 1 49 49 SER C C 39 175.700 175.700 176.935 -1.235 18547 9250 1 10 . 1 1 49 49 SER CA C 39 62.700 62.700 61.456 1.244 18547 9251 1 10 . 1 1 49 49 SER CB C 39 62.700 62.700 62.962 -0.262 18547 9252 1 10 . 1 1 49 49 SER H H 39 8.230 8.230 8.300 -0.070 18547 9253 1 10 . 1 1 50 50 ALA N N 40 122.300 122.300 123.016 -0.716 18547 9254 1 10 . 1 1 50 50 ALA HA H 40 4.020 4.020 4.291 -0.271 18547 9255 1 10 . 1 1 50 50 ALA C C 40 176.700 176.700 179.087 -2.387 18547 9256 1 10 . 1 1 50 50 ALA CA C 40 55.200 55.200 55.368 -0.168 18547 9257 1 10 . 1 1 50 50 ALA CB C 40 18.800 18.800 18.286 0.514 18547 9258 1 10 . 1 1 50 50 ALA H H 40 7.770 7.770 8.049 -0.279 18547 9259 1 10 . 1 1 51 51 CYS N N 41 109.400 109.400 113.846 -4.446 18547 9260 1 10 . 1 1 51 51 CYS HA H 41 4.510 4.510 4.781 -0.271 18547 9261 1 10 . 1 1 51 51 CYS C C 41 172.200 172.200 176.080 -3.880 18547 9262 1 10 . 1 1 51 51 CYS CA C 41 61.100 61.100 60.713 0.387 18547 9263 1 10 . 1 1 51 51 CYS CB C 41 29.800 29.800 27.555 2.245 18547 9264 1 10 . 1 1 51 51 CYS H H 41 7.080 7.080 7.846 -0.766 18547 9265 1 10 . 1 1 52 52 THR N N 42 100.100 100.100 113.623 -13.523 18547 9266 1 10 . 1 1 52 52 THR HA H 42 4.240 4.240 4.312 -0.072 18547 9267 1 10 . 1 1 52 52 THR C C 42 173.500 173.500 175.277 -1.777 18547 9268 1 10 . 1 1 52 52 THR CA C 42 62.200 62.200 63.062 -0.862 18547 9269 1 10 . 1 1 52 52 THR CB C 42 71.800 71.800 69.774 2.026 18547 9270 1 10 . 1 1 52 52 THR H H 42 6.800 6.800 7.612 -0.812 18547 9271 1 10 . 1 1 53 53 ASP N N 43 123.000 123.000 125.900 -2.900 18547 9272 1 10 . 1 1 53 53 ASP HA H 43 5.080 5.080 4.747 0.333 18547 9273 1 10 . 1 1 53 53 ASP CA C 43 50.600 50.600 54.078 -3.478 18547 9274 1 10 . 1 1 53 53 ASP CB C 43 42.000 42.000 41.510 0.490 18547 9275 1 10 . 1 1 53 53 ASP H H 43 8.040 8.040 7.933 0.107 18547 9276 1 10 . 1 1 54 54 PRO HA H 44 3.960 3.960 4.162 -0.202 18547 9277 1 10 . 1 1 54 54 PRO C C 44 176.300 176.300 178.058 -1.758 18547 9278 1 10 . 1 1 54 54 PRO CA C 44 65.900 65.900 65.647 0.253 18547 9279 1 10 . 1 1 54 54 PRO CB C 44 32.700 32.700 32.050 0.650 18547 9280 1 10 . 1 1 55 55 ASN N N 45 112.700 112.700 112.844 -0.144 18547 9281 1 10 . 1 1 55 55 ASN HA H 45 4.520 4.520 4.443 0.077 18547 9282 1 10 . 1 1 55 55 ASN C C 45 175.900 175.900 176.530 -0.630 18547 9283 1 10 . 1 1 55 55 ASN CA C 45 55.100 55.100 55.647 -0.547 18547 9284 1 10 . 1 1 55 55 ASN CB C 45 38.900 38.900 38.191 0.709 18547 9285 1 10 . 1 1 55 55 ASN H H 45 8.160 8.160 8.753 -0.593 18547 9286 1 10 . 1 1 56 56 ARG N N 46 117.700 117.700 117.969 -0.269 18547 9287 1 10 . 1 1 56 56 ARG HA H 46 4.250 4.250 4.310 -0.060 18547 9288 1 10 . 1 1 56 56 ARG C C 46 177.100 177.100 178.409 -1.309 18547 9289 1 10 . 1 1 56 56 ARG CA C 46 58.400 58.400 57.069 1.331 18547 9290 1 10 . 1 1 56 56 ARG CB C 46 31.800 31.800 30.569 1.231 18547 9291 1 10 . 1 1 56 56 ARG H H 46 7.940 7.940 7.628 0.311 18547 9292 1 10 . 1 1 57 57 ILE N N 47 120.100 120.100 120.779 -0.679 18547 9293 1 10 . 1 1 57 57 ILE HA H 47 3.420 3.420 2.859 0.561 18547 9294 1 10 . 1 1 57 57 ILE C C 47 177.400 177.400 177.036 0.364 18547 9295 1 10 . 1 1 57 57 ILE CA C 47 64.400 64.400 64.486 -0.086 18547 9296 1 10 . 1 1 57 57 ILE CB C 47 39.500 39.500 37.512 1.988 18547 9297 1 10 . 1 1 57 57 ILE H H 47 8.610 8.610 7.559 1.051 18547 9298 1 10 . 1 1 58 58 ASN N N 48 112.100 112.100 117.472 -5.372 18547 9299 1 10 . 1 1 58 58 ASN HA H 48 3.780 3.780 4.520 -0.740 18547 9300 1 10 . 1 1 58 58 ASN C C 48 175.300 175.300 176.355 -1.055 18547 9301 1 10 . 1 1 58 58 ASN CA C 48 54.400 54.400 54.705 -0.305 18547 9302 1 10 . 1 1 58 58 ASN CB C 48 38.200 38.200 37.650 0.550 18547 9303 1 10 . 1 1 58 58 ASN H H 48 7.440 7.440 8.114 -0.674 18547 9304 1 10 . 1 1 59 59 ARG N N 49 115.600 115.600 118.599 -2.999 18547 9305 1 10 . 1 1 59 59 ARG HA H 49 4.120 4.120 4.132 -0.012 18547 9306 1 10 . 1 1 59 59 ARG C C 49 174.700 174.700 176.760 -2.060 18547 9307 1 10 . 1 1 59 59 ARG CA C 49 55.900 55.900 58.161 -2.261 18547 9308 1 10 . 1 1 59 59 ARG CB C 49 29.900 29.900 30.485 -0.585 18547 9309 1 10 . 1 1 59 59 ARG H H 49 7.370 7.370 7.418 -0.048 18547 9310 1 10 . 1 1 60 60 TRP N N 50 112.500 112.500 114.848 -2.348 18547 9311 1 10 . 1 1 60 60 TRP HA H 50 4.860 4.860 4.807 0.053 18547 9312 1 10 . 1 1 60 60 TRP C C 50 173.400 173.400 174.633 -1.233 18547 9313 1 10 . 1 1 60 60 TRP CA C 50 55.800 55.800 55.691 0.109 18547 9314 1 10 . 1 1 60 60 TRP CB C 50 31.500 31.500 30.320 1.180 18547 9315 1 10 . 1 1 60 60 TRP H H 50 6.860 6.860 7.185 -0.325 18547 9316 1 10 . 1 1 61 61 PHE N N 51 126.400 126.400 117.752 8.648 18547 9317 1 10 . 1 1 61 61 PHE HA H 51 4.690 4.690 4.497 0.193 18547 9318 1 10 . 1 1 61 61 PHE C C 51 173.000 173.000 173.386 -0.386 18547 9319 1 10 . 1 1 61 61 PHE CA C 51 55.000 55.000 57.035 -2.034 18547 9320 1 10 . 1 1 61 61 PHE CB C 51 37.600 37.600 40.895 -3.295 18547 9321 1 10 . 1 1 61 61 PHE H H 51 7.830 7.830 7.096 0.734 18547 9322 1 10 . 1 1 62 62 ILE N N 52 126.800 126.800 121.955 4.845 18547 9323 1 10 . 1 1 62 62 ILE HA H 52 3.760 3.760 4.054 -0.294 18547 9324 1 10 . 1 1 62 62 ILE C C 52 172.600 172.600 174.673 -2.073 18547 9325 1 10 . 1 1 62 62 ILE CA C 52 59.900 59.900 60.633 -0.733 18547 9326 1 10 . 1 1 62 62 ILE CB C 52 41.600 41.600 38.052 3.548 18547 9327 1 10 . 1 1 62 62 ILE H H 52 6.010 6.010 7.124 -1.114 18547 9328 1 10 . 1 1 63 63 GLU N N 53 124.400 124.400 127.129 -2.729 18547 9329 1 10 . 1 1 63 63 GLU HA H 53 3.850 3.850 4.496 -0.646 18547 9330 1 10 . 1 1 63 63 GLU CA C 53 54.800 54.800 53.627 1.173 18547 9331 1 10 . 1 1 63 63 GLU CB C 53 31.700 31.700 29.224 2.476 18547 9332 1 10 . 1 1 63 63 GLU H H 53 8.280 8.280 8.442 -0.162 18547 9333 1 10 . 1 1 64 64 PRO HA H 54 4.920 4.920 4.607 0.313 18547 9334 1 10 . 1 1 64 64 PRO C C 54 175.500 175.500 175.967 -0.467 18547 9335 1 10 . 1 1 64 64 PRO CA C 54 62.000 62.000 62.191 -0.191 18547 9336 1 10 . 1 1 64 64 PRO CB C 54 31.800 31.800 32.222 -0.422 18547 9337 1 10 . 1 1 65 65 LYS N N 55 120.200 120.200 124.890 -4.690 18547 9338 1 10 . 1 1 65 65 LYS HA H 55 4.780 4.780 4.363 0.417 18547 9339 1 10 . 1 1 65 65 LYS C C 55 176.000 176.000 176.855 -0.855 18547 9340 1 10 . 1 1 65 65 LYS CA C 55 54.200 54.200 55.678 -1.478 18547 9341 1 10 . 1 1 65 65 LYS CB C 55 35.300 35.300 32.897 2.403 18547 9342 1 10 . 1 1 65 65 LYS H H 55 8.370 8.370 8.278 0.092 18547 9343 1 10 . 1 1 66 66 GLY N N 56 109.400 109.400 112.113 -2.713 18547 9344 1 10 . 1 1 66 66 GLY C C 56 171.400 171.400 173.829 -2.429 18547 9345 1 10 . 1 1 66 66 GLY CA C 56 45.400 45.400 44.733 0.667 18547 9346 1 10 . 1 1 66 66 GLY H H 56 8.640 8.640 8.279 0.361 18547 9347 1 10 . 1 1 67 67 ASP N N 57 123.800 123.800 121.710 2.090 18547 9348 1 10 . 1 1 67 67 ASP HA H 57 4.900 4.900 4.682 0.218 18547 9349 1 10 . 1 1 67 67 ASP C C 57 175.600 175.600 177.632 -2.032 18547 9350 1 10 . 1 1 67 67 ASP CA C 57 52.400 52.400 56.551 -4.151 18547 9351 1 10 . 1 1 67 67 ASP CB C 57 40.700 40.700 41.815 -1.115 18547 9352 1 10 . 1 1 67 67 ASP H H 57 7.790 7.790 8.147 -0.357 18547 9353 1 10 . 1 1 68 68 LEU N N 58 122.800 122.800 113.916 8.884 18547 9354 1 10 . 1 1 68 68 LEU HA H 58 4.270 4.270 3.976 0.294 18547 9355 1 10 . 1 1 68 68 LEU C C 58 173.700 173.700 174.975 -1.275 18547 9356 1 10 . 1 1 68 68 LEU CA C 58 54.500 54.500 55.488 -0.988 18547 9357 1 10 . 1 1 68 68 LEU CB C 58 38.300 38.300 40.516 -2.216 18547 9358 1 10 . 1 1 68 68 LEU H H 58 8.330 8.330 7.714 0.616 18547 9359 1 10 . 1 1 69 69 ARG N N 59 121.800 121.800 117.082 4.718 18547 9360 1 10 . 1 1 69 69 ARG HA H 59 4.710 4.710 4.638 0.072 18547 9361 1 10 . 1 1 69 69 ARG CA C 59 54.100 54.100 53.059 1.041 18547 9362 1 10 . 1 1 69 69 ARG CB C 59 31.800 31.800 31.618 0.182 18547 9363 1 10 . 1 1 69 69 ARG H H 59 8.120 8.120 7.633 0.487 18547 9364 1 10 . 1 1 70 70 GLU N N 60 122.800 122.800 123.468 -0.668 18547 9365 1 10 . 1 1 70 70 GLU HA H 60 3.870 3.870 4.187 -0.317 18547 9366 1 10 . 1 1 70 70 GLU C C 60 177.200 177.200 177.215 -0.015 18547 9367 1 10 . 1 1 70 70 GLU CA C 60 60.000 60.000 57.659 2.341 18547 9368 1 10 . 1 1 70 70 GLU CB C 60 30.200 30.200 28.891 1.309 18547 9369 1 10 . 1 1 70 70 GLU H H 60 9.130 9.130 8.887 0.243 18547 9370 1 10 . 1 1 71 71 GLY N N 61 117.100 117.100 115.151 1.949 18547 9371 1 10 . 1 1 71 71 GLY C C 61 174.900 174.900 174.328 0.572 18547 9372 1 10 . 1 1 71 71 GLY CA C 61 45.600 45.600 44.770 0.830 18547 9373 1 10 . 1 1 71 71 GLY H H 61 8.710 8.710 8.309 0.401 18547 9374 1 10 . 1 1 72 72 GLY N N 62 110.300 110.300 110.623 -0.323 18547 9375 1 10 . 1 1 72 72 GLY C C 62 174.200 174.200 172.349 1.851 18547 9376 1 10 . 1 1 72 72 GLY CA C 62 43.400 43.400 43.962 -0.562 18547 9377 1 10 . 1 1 72 72 GLY H H 62 8.760 8.760 8.009 0.751 18547 9378 1 10 . 1 1 73 73 ASN N N 63 117.800 117.800 116.229 1.571 18547 9379 1 10 . 1 1 73 73 ASN HA H 63 5.490 5.490 5.035 0.455 18547 9380 1 10 . 1 1 73 73 ASN C C 63 171.400 171.400 173.844 -2.444 18547 9381 1 10 . 1 1 73 73 ASN CA C 63 52.900 52.900 52.170 0.730 18547 9382 1 10 . 1 1 73 73 ASN CB C 63 41.500 41.500 42.038 -0.538 18547 9383 1 10 . 1 1 73 73 ASN H H 63 8.890 8.890 8.447 0.443 18547 9384 1 10 . 1 1 74 74 PHE N N 64 113.500 113.500 115.717 -2.217 18547 9385 1 10 . 1 1 74 74 PHE HA H 64 5.500 5.500 5.642 -0.142 18547 9386 1 10 . 1 1 74 74 PHE C C 64 173.200 173.200 173.729 -0.529 18547 9387 1 10 . 1 1 74 74 PHE CA C 64 55.900 55.900 54.881 1.019 18547 9388 1 10 . 1 1 74 74 PHE CB C 64 44.600 44.600 42.954 1.646 18547 9389 1 10 . 1 1 74 74 PHE H H 64 8.700 8.700 8.745 -0.045 18547 9390 1 10 . 1 1 75 75 ALA N N 65 122.200 122.200 123.161 -0.961 18547 9391 1 10 . 1 1 75 75 ALA HA H 65 4.350 4.350 4.519 -0.169 18547 9392 1 10 . 1 1 75 75 ALA C C 65 176.000 176.000 176.367 -0.367 18547 9393 1 10 . 1 1 75 75 ALA CA C 65 52.500 52.500 51.890 0.610 18547 9394 1 10 . 1 1 75 75 ALA CB C 65 21.800 21.800 20.765 1.035 18547 9395 1 10 . 1 1 75 75 ALA H H 65 8.690 8.690 8.292 0.398 18547 9396 1 10 . 1 1 76 76 LEU N N 66 123.800 123.800 126.206 -2.406 18547 9397 1 10 . 1 1 76 76 LEU HA H 66 4.520 4.520 4.320 0.200 18547 9398 1 10 . 1 1 76 76 LEU C C 66 175.800 175.800 178.217 -2.417 18547 9399 1 10 . 1 1 76 76 LEU CA C 66 52.500 52.500 58.162 -5.662 18547 9400 1 10 . 1 1 76 76 LEU CB C 66 42.400 42.400 42.308 0.092 18547 9401 1 10 . 1 1 76 76 LEU H H 66 8.350 8.350 8.545 -0.195 18547 9402 1 10 . 1 1 77 77 GLN N N 67 127.400 127.400 114.837 12.563 18547 9403 1 10 . 1 1 77 77 GLN HA H 67 3.900 3.900 4.229 -0.329 18547 9404 1 10 . 1 1 77 77 GLN C C 67 176.600 176.600 175.738 0.862 18547 9405 1 10 . 1 1 77 77 GLN CA C 67 57.800 57.800 56.217 1.583 18547 9406 1 10 . 1 1 77 77 GLN CB C 67 28.000 28.000 30.520 -2.520 18547 9407 1 10 . 1 1 77 77 GLN H H 67 8.590 8.590 8.116 0.474 18547 9408 1 10 . 1 1 78 78 GLY N N 68 114.800 114.800 107.555 7.245 18547 9409 1 10 . 1 1 78 78 GLY C C 68 173.700 173.700 173.508 0.192 18547 9410 1 10 . 1 1 78 78 GLY CA C 68 45.700 45.700 45.409 0.291 18547 9411 1 10 . 1 1 78 78 GLY H H 68 8.920 8.920 8.351 0.569 18547 9412 1 10 . 1 1 79 79 ASN N N 69 124.000 124.000 121.524 2.476 18547 9413 1 10 . 1 1 79 79 ASN HA H 69 4.600 4.600 4.213 0.387 18547 9414 1 10 . 1 1 79 79 ASN C C 69 173.300 173.300 174.208 -0.908 18547 9415 1 10 . 1 1 79 79 ASN CA C 69 52.900 52.900 52.540 0.360 18547 9416 1 10 . 1 1 79 79 ASN CB C 69 41.600 41.600 37.842 3.758 18547 9417 1 10 . 1 1 79 79 ASN H H 69 8.360 8.360 8.135 0.225 18547 9418 1 10 . 1 1 80 80 ALA N N 70 127.200 127.200 125.645 1.555 18547 9419 1 10 . 1 1 80 80 ALA HA H 70 4.170 4.170 3.790 0.380 18547 9420 1 10 . 1 1 80 80 ALA C C 70 174.500 174.500 175.799 -1.299 18547 9421 1 10 . 1 1 80 80 ALA CA C 70 52.500 52.500 52.307 0.193 18547 9422 1 10 . 1 1 80 80 ALA CB C 70 18.600 18.600 17.900 0.700 18547 9423 1 10 . 1 1 80 80 ALA H H 70 8.930 8.930 8.274 0.656 18547 9424 1 10 . 1 1 81 81 SER N N 71 111.000 111.000 117.622 -6.622 18547 9425 1 10 . 1 1 81 81 SER HA H 71 4.170 4.170 4.465 -0.295 18547 9426 1 10 . 1 1 81 81 SER C C 71 170.900 170.900 173.109 -2.209 18547 9427 1 10 . 1 1 81 81 SER CA C 71 56.300 56.300 56.713 -0.413 18547 9428 1 10 . 1 1 81 81 SER CB C 71 66.600 66.600 66.189 0.411 18547 9429 1 10 . 1 1 81 81 SER H H 71 7.980 7.980 8.164 -0.184 18547 9430 1 10 . 1 1 82 82 GLY N N 72 102.700 102.700 108.714 -6.014 18547 9431 1 10 . 1 1 82 82 GLY C C 72 171.700 171.700 171.508 0.192 18547 9432 1 10 . 1 1 82 82 GLY CA C 72 46.200 46.200 44.611 1.589 18547 9433 1 10 . 1 1 82 82 GLY H H 72 6.940 6.940 7.761 -0.821 18547 9434 1 10 . 1 1 83 83 ASP N N 73 117.900 117.900 119.256 -1.356 18547 9435 1 10 . 1 1 83 83 ASP HA H 73 5.430 5.430 4.964 0.466 18547 9436 1 10 . 1 1 83 83 ASP C C 73 176.100 176.100 174.624 1.476 18547 9437 1 10 . 1 1 83 83 ASP CA C 73 52.700 52.700 53.885 -1.185 18547 9438 1 10 . 1 1 83 83 ASP CB C 73 43.600 43.600 45.078 -1.478 18547 9439 1 10 . 1 1 83 83 ASP H H 73 8.770 8.770 8.270 0.500 18547 9440 1 10 . 1 1 84 84 ILE N N 74 120.200 120.200 120.642 -0.442 18547 9441 1 10 . 1 1 84 84 ILE HA H 74 4.530 4.530 4.344 0.186 18547 9442 1 10 . 1 1 84 84 ILE C C 74 175.600 175.600 176.535 -0.935 18547 9443 1 10 . 1 1 84 84 ILE CA C 74 61.700 61.700 60.541 1.159 18547 9444 1 10 . 1 1 84 84 ILE CB C 74 36.700 36.700 37.084 -0.384 18547 9445 1 10 . 1 1 84 84 ILE H H 74 8.060 8.060 8.254 -0.194 18547 9446 1 10 . 1 1 85 85 LEU N N 75 130.400 130.400 129.264 1.136 18547 9447 1 10 . 1 1 85 85 LEU HA H 75 4.330 4.330 4.258 0.072 18547 9448 1 10 . 1 1 85 85 LEU C C 75 178.100 178.100 177.449 0.651 18547 9449 1 10 . 1 1 85 85 LEU CA C 75 57.000 57.000 57.470 -0.470 18547 9450 1 10 . 1 1 85 85 LEU CB C 75 42.000 42.000 42.476 -0.476 18547 9451 1 10 . 1 1 85 85 LEU H H 75 8.710 8.710 8.055 0.655 18547 9452 1 10 . 1 1 86 86 ARG N N 76 115.700 115.700 115.183 0.517 18547 9453 1 10 . 1 1 86 86 ARG HA H 76 4.840 4.840 4.622 0.218 18547 9454 1 10 . 1 1 86 86 ARG C C 76 174.900 174.900 173.501 1.399 18547 9455 1 10 . 1 1 86 86 ARG CA C 76 54.700 54.700 55.052 -0.352 18547 9456 1 10 . 1 1 86 86 ARG CB C 76 33.900 33.900 33.865 0.035 18547 9457 1 10 . 1 1 86 86 ARG H H 76 8.130 8.130 8.132 -0.002 18547 9458 1 10 . 1 1 87 87 CYS N N 77 127.100 127.100 118.316 8.784 18547 9459 1 10 . 1 1 87 87 CYS HA H 77 5.130 5.130 5.424 -0.294 18547 9460 1 10 . 1 1 87 87 CYS C C 77 171.700 171.700 173.327 -1.627 18547 9461 1 10 . 1 1 87 87 CYS CA C 77 54.600 54.600 56.738 -2.138 18547 9462 1 10 . 1 1 87 87 CYS CB C 77 33.000 33.000 31.631 1.369 18547 9463 1 10 . 1 1 87 87 CYS H H 77 10.630 10.630 8.716 1.914 18547 9464 1 10 . 1 1 88 88 GLU N N 78 128.200 128.200 123.374 4.826 18547 9465 1 10 . 1 1 88 88 GLU HA H 78 4.950 4.950 4.784 0.166 18547 9466 1 10 . 1 1 88 88 GLU CA C 78 52.100 52.100 53.580 -1.480 18547 9467 1 10 . 1 1 88 88 GLU CB C 78 30.500 30.500 30.992 -0.492 18547 9468 1 10 . 1 1 88 88 GLU H H 78 9.460 9.460 8.975 0.485 18547 9469 1 10 . 1 1 89 89 PRO HA H 79 2.780 2.780 3.776 -0.996 18547 9470 1 10 . 1 1 89 89 PRO CA C 79 60.500 60.500 61.585 -1.085 18547 9471 1 10 . 1 1 89 89 PRO CB C 79 31.600 31.600 31.212 0.388 18547 9472 1 10 . 1 1 90 90 PRO HA H 80 2.250 2.250 3.630 -1.380 18547 9473 1 10 . 1 1 90 90 PRO C C 80 171.400 171.400 177.031 -5.631 18547 9474 1 10 . 1 1 90 90 PRO CA C 80 63.700 63.700 61.809 1.891 18547 9475 1 10 . 1 1 90 90 PRO CB C 80 30.500 30.500 32.496 -1.996 18547 9476 1 10 . 1 1 91 91 ARG N N 81 113.700 113.700 121.906 -8.206 18547 9477 1 10 . 1 1 91 91 ARG HA H 81 4.700 4.700 4.040 0.660 18547 9478 1 10 . 1 1 91 91 ARG C C 81 176.500 176.500 175.686 0.814 18547 9479 1 10 . 1 1 91 91 ARG CA C 81 57.400 57.400 58.152 -0.752 18547 9480 1 10 . 1 1 91 91 ARG CB C 81 34.200 34.200 30.714 3.486 18547 9481 1 10 . 1 1 91 91 ARG H H 81 7.640 7.640 7.898 -0.258 18547 9482 1 10 . 1 1 92 92 ARG N N 82 121.000 121.000 113.548 7.452 18547 9483 1 10 . 1 1 92 92 ARG HA H 82 5.700 5.700 5.089 0.611 18547 9484 1 10 . 1 1 92 92 ARG C C 82 172.700 172.700 174.079 -1.379 18547 9485 1 10 . 1 1 92 92 ARG CA C 82 55.900 55.900 54.669 1.231 18547 9486 1 10 . 1 1 92 92 ARG CB C 82 34.100 34.100 33.984 0.116 18547 9487 1 10 . 1 1 92 92 ARG H H 82 7.710 7.710 7.840 -0.130 18547 9488 1 10 . 1 1 93 93 LEU N N 83 130.800 130.800 123.201 7.599 18547 9489 1 10 . 1 1 93 93 LEU HA H 83 5.250 5.250 5.047 0.203 18547 9490 1 10 . 1 1 93 93 LEU C C 83 174.000 174.000 174.971 -0.971 18547 9491 1 10 . 1 1 93 93 LEU CA C 83 53.700 53.700 54.098 -0.398 18547 9492 1 10 . 1 1 93 93 LEU CB C 83 47.100 47.100 45.658 1.442 18547 9493 1 10 . 1 1 93 93 LEU H H 83 9.080 9.080 8.493 0.587 18547 9494 1 10 . 1 1 94 94 THR N N 84 124.200 124.200 123.390 0.810 18547 9495 1 10 . 1 1 94 94 THR HA H 84 5.340 5.340 5.026 0.314 18547 9496 1 10 . 1 1 94 94 THR C C 84 174.100 174.100 174.238 -0.138 18547 9497 1 10 . 1 1 94 94 THR CA C 84 62.700 62.700 61.999 0.701 18547 9498 1 10 . 1 1 94 94 THR CB C 84 69.600 69.600 69.653 -0.052 18547 9499 1 10 . 1 1 94 94 THR H H 84 9.310 9.310 8.805 0.505 18547 9500 1 10 . 1 1 95 95 ILE N N 85 121.600 121.600 121.835 -0.235 18547 9501 1 10 . 1 1 95 95 ILE HA H 85 5.630 5.630 4.989 0.641 18547 9502 1 10 . 1 1 95 95 ILE C C 85 175.000 175.000 174.062 0.938 18547 9503 1 10 . 1 1 95 95 ILE CA C 85 59.300 59.300 58.474 0.826 18547 9504 1 10 . 1 1 95 95 ILE CB C 85 40.900 40.900 41.409 -0.509 18547 9505 1 10 . 1 1 95 95 ILE H H 85 9.700 9.700 8.977 0.723 18547 9506 1 10 . 1 1 96 96 SER N N 86 117.900 117.900 114.907 2.993 18547 9507 1 10 . 1 1 96 96 SER HA H 86 5.270 5.270 4.964 0.306 18547 9508 1 10 . 1 1 96 96 SER C C 86 172.200 172.200 173.351 -1.151 18547 9509 1 10 . 1 1 96 96 SER CA C 86 57.600 57.600 57.063 0.537 18547 9510 1 10 . 1 1 96 96 SER CB C 86 65.700 65.700 65.699 0.001 18547 9511 1 10 . 1 1 96 96 SER H H 86 9.290 9.290 8.876 0.414 18547 9512 1 10 . 1 1 97 97 TRP N N 87 120.000 120.000 129.713 -9.713 18547 9513 1 10 . 1 1 97 97 TRP HA H 87 5.130 5.130 5.286 -0.156 18547 9514 1 10 . 1 1 97 97 TRP C C 87 175.500 175.500 173.872 1.628 18547 9515 1 10 . 1 1 97 97 TRP CA C 87 57.900 57.900 56.512 1.388 18547 9516 1 10 . 1 1 97 97 TRP CB C 87 31.500 31.500 32.344 -0.844 18547 9517 1 10 . 1 1 97 97 TRP H H 87 7.790 7.790 9.085 -1.295 18547 9518 1 10 . 1 1 98 98 VAL N N 88 132.200 132.200 127.702 4.498 18547 9519 1 10 . 1 1 98 98 VAL HA H 88 4.460 4.460 4.362 0.098 18547 9520 1 10 . 1 1 98 98 VAL C C 88 175.100 175.100 173.606 1.494 18547 9521 1 10 . 1 1 98 98 VAL CA C 88 62.000 62.000 60.622 1.378 18547 9522 1 10 . 1 1 98 98 VAL CB C 88 32.500 32.500 33.714 -1.214 18547 9523 1 10 . 1 1 98 98 VAL H H 88 9.620 9.620 8.084 1.536 18547 9524 1 10 . 1 1 99 99 TYR N N 89 130.300 130.300 124.818 5.482 18547 9525 1 10 . 1 1 99 99 TYR HA H 89 4.440 4.440 4.656 -0.216 18547 9526 1 10 . 1 1 99 99 TYR C C 89 173.900 173.900 174.125 -0.225 18547 9527 1 10 . 1 1 99 99 TYR CA C 89 56.800 56.800 56.892 -0.092 18547 9528 1 10 . 1 1 99 99 TYR CB C 89 42.100 42.100 42.374 -0.274 18547 9529 1 10 . 1 1 99 99 TYR H H 89 9.670 9.670 8.151 1.519 18547 9530 1 10 . 1 1 100 100 GLU N N 90 127.100 127.100 125.558 1.542 18547 9531 1 10 . 1 1 100 100 GLU HA H 90 3.940 3.940 4.176 -0.236 18547 9532 1 10 . 1 1 100 100 GLU C C 90 176.700 176.700 176.992 -0.292 18547 9533 1 10 . 1 1 100 100 GLU CA C 90 58.300 58.300 57.866 0.434 18547 9534 1 10 . 1 1 100 100 GLU CB C 90 29.200 29.200 28.130 1.070 18547 9535 1 10 . 1 1 100 100 GLU H H 90 8.080 8.080 8.578 -0.498 18547 9536 1 10 . 1 1 101 101 GLY N N 91 113.100 113.100 113.851 -0.751 18547 9537 1 10 . 1 1 101 101 GLY C C 91 173.900 173.900 174.152 -0.252 18547 9538 1 10 . 1 1 101 101 GLY CA C 91 45.200 45.200 45.071 0.129 18547 9539 1 10 . 1 1 101 101 GLY H H 91 8.850 8.850 8.636 0.214 18547 9540 1 10 . 1 1 102 102 LYS N N 92 120.100 120.100 122.575 -2.475 18547 9541 1 10 . 1 1 102 102 LYS HA H 92 4.990 4.990 5.005 -0.015 18547 9542 1 10 . 1 1 102 102 LYS CA C 92 52.500 52.500 52.801 -0.301 18547 9543 1 10 . 1 1 102 102 LYS CB C 92 33.200 33.200 31.948 1.252 18547 9544 1 10 . 1 1 102 102 LYS H H 92 8.270 8.270 7.558 0.712 18547 9545 1 10 . 1 1 103 103 PRO HA H 93 4.620 4.620 4.343 0.277 18547 9546 1 10 . 1 1 103 103 PRO C C 93 176.700 176.700 177.097 -0.397 18547 9547 1 10 . 1 1 103 103 PRO CA C 93 62.400 62.400 64.758 -2.358 18547 9548 1 10 . 1 1 103 103 PRO CB C 93 31.400 31.400 32.328 -0.928 18547 9549 1 10 . 1 1 104 104 ASP N N 94 124.500 124.500 116.624 7.876 18547 9550 1 10 . 1 1 104 104 ASP HA H 94 4.860 4.860 5.101 -0.241 18547 9551 1 10 . 1 1 104 104 ASP C C 94 177.100 177.100 174.526 2.574 18547 9552 1 10 . 1 1 104 104 ASP CA C 94 55.900 55.900 53.998 1.902 18547 9553 1 10 . 1 1 104 104 ASP CB C 94 40.500 40.500 43.300 -2.800 18547 9554 1 10 . 1 1 104 104 ASP H H 94 8.850 8.850 8.386 0.464 18547 9555 1 10 . 1 1 105 105 SER N N 95 118.600 118.600 116.820 1.780 18547 9556 1 10 . 1 1 105 105 SER HA H 95 5.280 5.280 5.209 0.071 18547 9557 1 10 . 1 1 105 105 SER C C 95 173.700 173.700 172.466 1.234 18547 9558 1 10 . 1 1 105 105 SER CA C 95 57.900 57.900 57.132 0.768 18547 9559 1 10 . 1 1 105 105 SER CB C 95 65.600 65.600 67.633 -2.033 18547 9560 1 10 . 1 1 105 105 SER H H 95 9.260 9.260 8.637 0.623 18547 9561 1 10 . 1 1 106 106 GLU N N 96 124.100 124.100 123.316 0.784 18547 9562 1 10 . 1 1 106 106 GLU HA H 96 5.180 5.180 5.017 0.163 18547 9563 1 10 . 1 1 106 106 GLU C C 96 172.400 172.400 174.909 -2.509 18547 9564 1 10 . 1 1 106 106 GLU CA C 96 57.200 57.200 54.968 2.232 18547 9565 1 10 . 1 1 106 106 GLU CB C 96 36.100 36.100 32.631 3.469 18547 9566 1 10 . 1 1 106 106 GLU H H 96 8.620 8.620 8.472 0.148 18547 9567 1 10 . 1 1 107 107 VAL N N 97 128.100 128.100 126.558 1.542 18547 9568 1 10 . 1 1 107 107 VAL HA H 97 4.770 4.770 4.738 0.032 18547 9569 1 10 . 1 1 107 107 VAL C C 97 173.100 173.100 174.586 -1.486 18547 9570 1 10 . 1 1 107 107 VAL CA C 97 60.100 60.100 60.626 -0.526 18547 9571 1 10 . 1 1 107 107 VAL CB C 97 34.200 34.200 33.806 0.394 18547 9572 1 10 . 1 1 107 107 VAL H H 97 9.180 9.180 8.100 1.080 18547 9573 1 10 . 1 1 108 108 GLU N N 98 126.200 126.200 121.884 4.316 18547 9574 1 10 . 1 1 108 108 GLU HA H 98 5.580 5.580 5.124 0.456 18547 9575 1 10 . 1 1 108 108 GLU C C 98 172.100 172.100 174.052 -1.952 18547 9576 1 10 . 1 1 108 108 GLU CA C 98 54.200 54.200 54.221 -0.021 18547 9577 1 10 . 1 1 108 108 GLU CB C 98 35.200 35.200 33.870 1.330 18547 9578 1 10 . 1 1 108 108 GLU H H 98 9.300 9.300 8.699 0.601 18547 9579 1 10 . 1 1 109 109 LEU N N 99 128.600 128.600 121.507 7.093 18547 9580 1 10 . 1 1 109 109 LEU HA H 99 5.080 5.080 4.991 0.089 18547 9581 1 10 . 1 1 109 109 LEU C C 99 175.100 175.100 175.225 -0.125 18547 9582 1 10 . 1 1 109 109 LEU CA C 99 52.700 52.700 53.345 -0.645 18547 9583 1 10 . 1 1 109 109 LEU CB C 99 46.400 46.400 46.663 -0.263 18547 9584 1 10 . 1 1 109 109 LEU H H 99 9.330 9.330 8.502 0.828 18547 9585 1 10 . 1 1 110 110 ARG N N 100 124.700 124.700 125.691 -0.991 18547 9586 1 10 . 1 1 110 110 ARG HA H 100 5.390 5.390 5.000 0.390 18547 9587 1 10 . 1 1 110 110 ARG C C 100 175.400 175.400 174.419 0.981 18547 9588 1 10 . 1 1 110 110 ARG CA C 100 54.600 54.600 54.618 -0.018 18547 9589 1 10 . 1 1 110 110 ARG CB C 100 34.100 34.100 32.402 1.698 18547 9590 1 10 . 1 1 110 110 ARG H H 100 9.430 9.430 8.199 1.231 18547 9591 1 10 . 1 1 111 111 LEU N N 101 122.900 122.900 127.679 -4.779 18547 9592 1 10 . 1 1 111 111 LEU HA H 101 5.620 5.620 5.598 0.022 18547 9593 1 10 . 1 1 111 111 LEU C C 101 177.100 177.100 175.797 1.303 18547 9594 1 10 . 1 1 111 111 LEU CA C 101 53.000 53.000 53.837 -0.837 18547 9595 1 10 . 1 1 111 111 LEU CB C 101 44.900 44.900 44.154 0.746 18547 9596 1 10 . 1 1 111 111 LEU H H 101 9.120 9.120 8.692 0.428 18547 9597 1 10 . 1 1 112 112 SER N N 102 113.800 113.800 115.315 -1.515 18547 9598 1 10 . 1 1 112 112 SER HA H 102 4.690 4.690 4.545 0.145 18547 9599 1 10 . 1 1 112 112 SER C C 102 172.700 172.700 172.535 0.165 18547 9600 1 10 . 1 1 112 112 SER CA C 102 57.000 57.000 57.639 -0.639 18547 9601 1 10 . 1 1 112 112 SER CB C 102 65.700 65.700 65.979 -0.279 18547 9602 1 10 . 1 1 112 112 SER H H 102 8.770 8.770 8.457 0.313 18547 9603 1 10 . 1 1 113 113 GLU N N 103 123.400 123.400 126.164 -2.764 18547 9604 1 10 . 1 1 113 113 GLU HA H 103 4.440 4.440 4.391 0.049 18547 9605 1 10 . 1 1 113 113 GLU C C 103 176.600 176.600 176.085 0.515 18547 9606 1 10 . 1 1 113 113 GLU CA C 103 57.500 57.500 57.285 0.215 18547 9607 1 10 . 1 1 113 113 GLU CB C 103 30.200 30.200 30.384 -0.183 18547 9608 1 10 . 1 1 113 113 GLU H H 103 9.200 9.200 8.673 0.527 18547 9609 1 10 . 1 1 114 114 GLU N N 104 126.500 126.500 124.357 2.143 18547 9610 1 10 . 1 1 114 114 GLU HA H 104 4.450 4.450 4.518 -0.068 18547 9611 1 10 . 1 1 114 114 GLU C C 104 175.600 175.600 176.140 -0.540 18547 9612 1 10 . 1 1 114 114 GLU CA C 104 55.700 55.700 55.928 -0.228 18547 9613 1 10 . 1 1 114 114 GLU CB C 104 31.300 31.300 32.041 -0.741 18547 9614 1 10 . 1 1 114 114 GLU H H 104 8.110 8.110 8.705 -0.595 18547 9615 1 10 . 1 1 115 115 GLY N N 105 118.000 118.000 115.016 2.984 18547 9616 1 10 . 1 1 115 115 GLY C C 105 174.700 174.700 173.792 0.908 18547 9617 1 10 . 1 1 115 115 GLY CA C 105 47.100 47.100 45.295 1.805 18547 9618 1 10 . 1 1 115 115 GLY H H 105 9.030 9.030 8.493 0.537 18547 9619 1 10 . 1 1 116 116 ASP N N 106 126.200 126.200 125.529 0.671 18547 9620 1 10 . 1 1 116 116 ASP HA H 106 4.750 4.750 4.817 -0.067 18547 9621 1 10 . 1 1 116 116 ASP C C 106 175.600 175.600 175.248 0.352 18547 9622 1 10 . 1 1 116 116 ASP CA C 106 54.300 54.300 54.000 0.300 18547 9623 1 10 . 1 1 116 116 ASP CB C 106 40.800 40.800 40.492 0.308 18547 9624 1 10 . 1 1 116 116 ASP H H 106 8.800 8.800 8.683 0.117 18547 9625 1 10 . 1 1 117 117 GLY N N 107 109.500 109.500 106.100 3.400 18547 9626 1 10 . 1 1 117 117 GLY C C 107 174.400 174.400 172.349 2.051 18547 9627 1 10 . 1 1 117 117 GLY CA C 107 44.800 44.800 45.418 -0.618 18547 9628 1 10 . 1 1 117 117 GLY H H 107 8.040 8.040 7.254 0.786 18547 9629 1 10 . 1 1 118 118 THR N N 108 120.400 120.400 115.557 4.843 18547 9630 1 10 . 1 1 118 118 THR HA H 108 4.970 4.970 4.807 0.163 18547 9631 1 10 . 1 1 118 118 THR C C 108 173.000 173.000 172.521 0.479 18547 9632 1 10 . 1 1 118 118 THR CA C 108 63.500 63.500 62.287 1.213 18547 9633 1 10 . 1 1 118 118 THR CB C 108 73.000 73.000 72.611 0.390 18547 9634 1 10 . 1 1 118 118 THR H H 108 9.010 9.010 8.282 0.728 18547 9635 1 10 . 1 1 119 119 LEU N N 109 129.000 129.000 127.628 1.372 18547 9636 1 10 . 1 1 119 119 LEU HA H 109 4.790 4.790 5.387 -0.597 18547 9637 1 10 . 1 1 119 119 LEU C C 109 173.500 173.500 174.700 -1.200 18547 9638 1 10 . 1 1 119 119 LEU CA C 109 54.300 54.300 53.474 0.826 18547 9639 1 10 . 1 1 119 119 LEU CB C 109 42.900 42.900 44.579 -1.679 18547 9640 1 10 . 1 1 119 119 LEU H H 109 9.410 9.410 8.623 0.787 18547 9641 1 10 . 1 1 120 120 LEU N N 110 132.200 132.200 121.817 10.383 18547 9642 1 10 . 1 1 120 120 LEU HA H 110 4.820 4.820 5.570 -0.750 18547 9643 1 10 . 1 1 120 120 LEU C C 110 174.100 174.100 175.212 -1.112 18547 9644 1 10 . 1 1 120 120 LEU CA C 110 54.900 54.900 52.490 2.410 18547 9645 1 10 . 1 1 120 120 LEU CB C 110 45.300 45.300 45.052 0.248 18547 9646 1 10 . 1 1 120 120 LEU H H 110 9.430 9.430 8.714 0.716 18547 9647 1 10 . 1 1 121 121 GLU N N 111 125.800 125.800 121.099 4.701 18547 9648 1 10 . 1 1 121 121 GLU HA H 111 5.530 5.530 5.167 0.363 18547 9649 1 10 . 1 1 121 121 GLU C C 111 173.500 173.500 175.253 -1.753 18547 9650 1 10 . 1 1 121 121 GLU CA C 111 54.500 54.500 54.818 -0.318 18547 9651 1 10 . 1 1 121 121 GLU CB C 111 33.100 33.100 31.746 1.354 18547 9652 1 10 . 1 1 121 121 GLU H H 111 8.970 8.970 8.396 0.574 18547 9653 1 10 . 1 1 122 122 LEU N N 112 127.300 127.300 128.347 -1.047 18547 9654 1 10 . 1 1 122 122 LEU HA H 112 5.030 5.030 4.883 0.147 18547 9655 1 10 . 1 1 122 122 LEU C C 112 173.700 173.700 174.911 -1.211 18547 9656 1 10 . 1 1 122 122 LEU CA C 112 53.200 53.200 53.750 -0.550 18547 9657 1 10 . 1 1 122 122 LEU CB C 112 45.400 45.400 43.602 1.798 18547 9658 1 10 . 1 1 122 122 LEU H H 112 8.950 8.950 8.328 0.622 18547 9659 1 10 . 1 1 123 123 GLU N N 113 127.900 127.900 129.115 -1.215 18547 9660 1 10 . 1 1 123 123 GLU HA H 113 5.750 5.750 5.168 0.582 18547 9661 1 10 . 1 1 123 123 GLU C C 113 174.200 174.200 174.830 -0.630 18547 9662 1 10 . 1 1 123 123 GLU CA C 113 52.900 52.900 54.133 -1.233 18547 9663 1 10 . 1 1 123 123 GLU CB C 113 33.300 33.300 31.710 1.590 18547 9664 1 10 . 1 1 123 123 GLU H H 113 9.350 9.350 8.470 0.880 18547 9665 1 10 . 1 1 124 124 HIS N N 114 128.200 128.200 127.574 0.626 18547 9666 1 10 . 1 1 124 124 HIS HA H 114 5.240 5.240 4.700 0.540 18547 9667 1 10 . 1 1 124 124 HIS C C 114 173.900 173.900 173.015 0.885 18547 9668 1 10 . 1 1 124 124 HIS CA C 114 54.300 54.300 54.355 -0.055 18547 9669 1 10 . 1 1 124 124 HIS CB C 114 34.600 34.600 32.454 2.146 18547 9670 1 10 . 1 1 124 124 HIS H H 114 8.770 8.770 8.240 0.530 18547 9671 1 10 . 1 1 125 125 ALA N N 115 128.600 128.600 130.881 -2.281 18547 9672 1 10 . 1 1 125 125 ALA HA H 115 5.150 5.150 5.551 -0.401 18547 9673 1 10 . 1 1 125 125 ALA C C 115 175.400 175.400 175.739 -0.339 18547 9674 1 10 . 1 1 125 125 ALA CA C 115 50.100 50.100 50.339 -0.239 18547 9675 1 10 . 1 1 125 125 ALA CB C 115 22.500 22.500 21.454 1.046 18547 9676 1 10 . 1 1 125 125 ALA H H 115 9.360 9.360 8.387 0.973 18547 9677 1 10 . 1 1 126 126 THR N N 116 115.800 115.800 118.662 -2.862 18547 9678 1 10 . 1 1 126 126 THR HA H 116 4.960 4.960 5.055 -0.095 18547 9679 1 10 . 1 1 126 126 THR C C 116 172.200 172.200 175.452 -3.252 18547 9680 1 10 . 1 1 126 126 THR CA C 116 58.800 58.800 59.288 -0.488 18547 9681 1 10 . 1 1 126 126 THR CB C 116 69.200 69.200 70.781 -1.581 18547 9682 1 10 . 1 1 126 126 THR H H 116 8.760 8.760 8.257 0.503 18547 9683 1 10 . 1 1 127 127 THR N N 117 116.000 116.000 115.806 0.194 18547 9684 1 10 . 1 1 127 127 THR HA H 117 4.390 4.390 4.524 -0.134 18547 9685 1 10 . 1 1 127 127 THR C C 117 174.400 174.400 175.395 -0.995 18547 9686 1 10 . 1 1 127 127 THR CA C 117 62.900 62.900 62.686 0.214 18547 9687 1 10 . 1 1 127 127 THR CB C 117 68.800 68.800 69.183 -0.383 18547 9688 1 10 . 1 1 127 127 THR H H 117 8.460 8.460 8.884 -0.424 18547 9689 1 10 . 1 1 128 128 SER N N 118 116.400 116.400 118.502 -2.102 18547 9690 1 10 . 1 1 128 128 SER HA H 118 4.890 4.890 4.579 0.311 18547 9691 1 10 . 1 1 128 128 SER C C 118 174.700 174.700 174.340 0.360 18547 9692 1 10 . 1 1 128 128 SER CA C 118 55.400 55.400 59.098 -3.698 18547 9693 1 10 . 1 1 128 128 SER CB C 118 63.000 63.000 64.273 -1.273 18547 9694 1 10 . 1 1 128 128 SER H H 118 7.730 7.730 7.653 0.077 18547 9695 1 10 . 1 1 129 129 GLU N N 119 130.300 130.300 127.305 2.995 18547 9696 1 10 . 1 1 129 129 GLU HA H 119 3.940 3.940 4.051 -0.111 18547 9697 1 10 . 1 1 129 129 GLU C C 119 178.400 178.400 178.462 -0.062 18547 9698 1 10 . 1 1 129 129 GLU CA C 119 59.900 59.900 59.791 0.109 18547 9699 1 10 . 1 1 129 129 GLU CB C 119 29.700 29.700 29.414 0.286 18547 9700 1 10 . 1 1 129 129 GLU H H 119 9.000 9.000 9.175 -0.175 18547 9701 1 10 . 1 1 130 130 GLN N N 120 117.300 117.300 118.377 -1.077 18547 9702 1 10 . 1 1 130 130 GLN HA H 120 4.120 4.120 4.039 0.081 18547 9703 1 10 . 1 1 130 130 GLN C C 120 177.900 177.900 177.880 0.020 18547 9704 1 10 . 1 1 130 130 GLN CA C 120 58.400 58.400 58.771 -0.371 18547 9705 1 10 . 1 1 130 130 GLN CB C 120 28.000 28.000 28.041 -0.041 18547 9706 1 10 . 1 1 130 130 GLN H H 120 8.410 8.410 8.525 -0.115 18547 9707 1 10 . 1 1 131 131 MET N N 121 118.300 118.300 119.883 -1.583 18547 9708 1 10 . 1 1 131 131 MET HA H 121 4.240 4.240 4.218 0.022 18547 9709 1 10 . 1 1 131 131 MET C C 121 176.400 176.400 178.155 -1.755 18547 9710 1 10 . 1 1 131 131 MET CA C 121 57.300 57.300 58.401 -1.101 18547 9711 1 10 . 1 1 131 131 MET CB C 121 32.400 32.400 32.200 0.200 18547 9712 1 10 . 1 1 131 131 MET H H 121 7.640 7.640 8.131 -0.491 18547 9713 1 10 . 1 1 132 132 LEU N N 122 118.700 118.700 119.323 -0.623 18547 9714 1 10 . 1 1 132 132 LEU HA H 122 3.630 3.630 3.804 -0.174 18547 9715 1 10 . 1 1 132 132 LEU C C 122 177.100 177.100 179.065 -1.965 18547 9716 1 10 . 1 1 132 132 LEU CA C 122 58.300 58.300 57.784 0.516 18547 9717 1 10 . 1 1 132 132 LEU CB C 122 41.900 41.900 41.613 0.287 18547 9718 1 10 . 1 1 132 132 LEU H H 122 7.470 7.470 7.764 -0.294 18547 9719 1 10 . 1 1 133 133 VAL N N 123 114.600 114.600 118.363 -3.763 18547 9720 1 10 . 1 1 133 133 VAL HA H 123 3.360 3.360 3.542 -0.182 18547 9721 1 10 . 1 1 133 133 VAL C C 123 176.700 176.700 178.079 -1.379 18547 9722 1 10 . 1 1 133 133 VAL CA C 123 66.600 66.600 66.136 0.464 18547 9723 1 10 . 1 1 133 133 VAL CB C 123 31.800 31.800 30.778 1.022 18547 9724 1 10 . 1 1 133 133 VAL H H 123 7.040 7.040 7.465 -0.425 18547 9725 1 10 . 1 1 134 134 GLU N N 124 116.700 116.700 120.122 -3.422 18547 9726 1 10 . 1 1 134 134 GLU HA H 124 3.900 3.900 3.862 0.038 18547 9727 1 10 . 1 1 134 134 GLU C C 124 180.700 180.700 178.919 1.781 18547 9728 1 10 . 1 1 134 134 GLU CA C 124 59.300 59.300 59.948 -0.648 18547 9729 1 10 . 1 1 134 134 GLU CB C 124 29.900 29.900 29.696 0.204 18547 9730 1 10 . 1 1 134 134 GLU H H 124 7.200 7.200 8.131 -0.931 18547 9731 1 10 . 1 1 135 135 VAL N N 125 114.700 114.700 114.655 0.045 18547 9732 1 10 . 1 1 135 135 VAL HA H 125 3.930 3.930 3.673 0.257 18547 9733 1 10 . 1 1 135 135 VAL C C 125 177.900 177.900 177.994 -0.094 18547 9734 1 10 . 1 1 135 135 VAL CA C 125 63.800 63.800 64.903 -1.103 18547 9735 1 10 . 1 1 135 135 VAL CB C 125 30.400 30.400 30.104 0.296 18547 9736 1 10 . 1 1 135 135 VAL H H 125 8.620 8.620 7.989 0.631 18547 9737 1 10 . 1 1 136 136 GLY N N 126 112.200 112.200 109.175 3.025 18547 9738 1 10 . 1 1 136 136 GLY C C 126 174.800 174.800 175.588 -0.788 18547 9739 1 10 . 1 1 136 136 GLY CA C 126 47.200 47.200 46.525 0.675 18547 9740 1 10 . 1 1 136 136 GLY H H 126 7.750 7.750 7.672 0.078 18547 9741 1 10 . 1 1 137 137 VAL N N 127 119.100 119.100 122.609 -3.509 18547 9742 1 10 . 1 1 137 137 VAL HA H 127 3.510 3.510 3.820 -0.309 18547 9743 1 10 . 1 1 137 137 VAL C C 127 179.100 179.100 178.044 1.056 18547 9744 1 10 . 1 1 137 137 VAL CA C 127 67.400 67.400 64.982 2.418 18547 9745 1 10 . 1 1 137 137 VAL CB C 127 32.500 32.500 31.055 1.445 18547 9746 1 10 . 1 1 137 137 VAL H H 127 7.680 7.680 7.530 0.150 18547 9747 1 10 . 1 1 138 138 GLY N N 128 106.300 106.300 107.528 -1.228 18547 9748 1 10 . 1 1 138 138 GLY C C 128 177.900 177.900 175.995 1.905 18547 9749 1 10 . 1 1 138 138 GLY CA C 128 47.300 47.300 47.336 -0.036 18547 9750 1 10 . 1 1 138 138 GLY H H 128 8.210 8.210 8.305 -0.095 18547 9751 1 10 . 1 1 139 139 TRP N N 129 122.500 122.500 121.012 1.488 18547 9752 1 10 . 1 1 139 139 TRP HA H 129 4.890 4.890 4.246 0.644 18547 9753 1 10 . 1 1 139 139 TRP C C 129 179.100 179.100 178.283 0.817 18547 9754 1 10 . 1 1 139 139 TRP CA C 129 59.800 59.800 59.412 0.388 18547 9755 1 10 . 1 1 139 139 TRP CB C 129 30.100 30.100 29.403 0.697 18547 9756 1 10 . 1 1 139 139 TRP H H 129 8.880 8.880 7.463 1.417 18547 9757 1 10 . 1 1 140 140 GLU N N 130 119.000 119.000 119.540 -0.540 18547 9758 1 10 . 1 1 140 140 GLU HA H 130 4.020 4.020 4.131 -0.111 18547 9759 1 10 . 1 1 140 140 GLU C C 130 179.300 179.300 179.337 -0.037 18547 9760 1 10 . 1 1 140 140 GLU CA C 130 62.900 62.900 59.286 3.614 18547 9761 1 10 . 1 1 140 140 GLU CB C 130 30.600 30.600 29.579 1.021 18547 9762 1 10 . 1 1 140 140 GLU H H 130 8.210 8.210 7.655 0.555 18547 9763 1 10 . 1 1 141 141 MET N N 131 117.100 117.100 118.137 -1.037 18547 9764 1 10 . 1 1 141 141 MET HA H 131 4.330 4.330 4.237 0.093 18547 9765 1 10 . 1 1 141 141 MET C C 131 178.500 178.500 178.437 0.063 18547 9766 1 10 . 1 1 141 141 MET CA C 131 57.700 57.700 58.773 -1.073 18547 9767 1 10 . 1 1 141 141 MET CB C 131 30.600 30.600 32.680 -2.080 18547 9768 1 10 . 1 1 141 141 MET H H 131 8.210 8.210 8.319 -0.109 18547 9769 1 10 . 1 1 142 142 ALA N N 132 121.400 121.400 124.494 -3.094 18547 9770 1 10 . 1 1 142 142 ALA HA H 132 4.720 4.720 4.560 0.160 18547 9771 1 10 . 1 1 142 142 ALA C C 132 180.900 180.900 179.888 1.012 18547 9772 1 10 . 1 1 142 142 ALA CA C 132 55.700 55.700 55.275 0.425 18547 9773 1 10 . 1 1 142 142 ALA CB C 132 18.200 18.200 18.705 -0.505 18547 9774 1 10 . 1 1 142 142 ALA H H 132 7.910 7.910 7.854 0.056 18547 9775 1 10 . 1 1 143 143 LEU N N 133 117.200 117.200 118.647 -1.447 18547 9776 1 10 . 1 1 143 143 LEU HA H 133 4.150 4.150 3.883 0.267 18547 9777 1 10 . 1 1 143 143 LEU C C 133 180.300 180.300 179.042 1.258 18547 9778 1 10 . 1 1 143 143 LEU CA C 133 57.300 57.300 57.789 -0.489 18547 9779 1 10 . 1 1 143 143 LEU CB C 133 40.600 40.600 40.327 0.273 18547 9780 1 10 . 1 1 143 143 LEU H H 133 9.190 9.190 8.741 0.449 18547 9781 1 10 . 1 1 144 144 ASP N N 134 122.600 122.600 120.277 2.323 18547 9782 1 10 . 1 1 144 144 ASP HA H 134 4.580 4.580 4.624 -0.044 18547 9783 1 10 . 1 1 144 144 ASP C C 134 179.900 179.900 178.920 0.980 18547 9784 1 10 . 1 1 144 144 ASP CA C 134 57.800 57.800 56.968 0.832 18547 9785 1 10 . 1 1 144 144 ASP CB C 134 39.800 39.800 40.730 -0.930 18547 9786 1 10 . 1 1 144 144 ASP H H 134 7.930 7.930 7.758 0.172 18547 9787 1 10 . 1 1 145 145 PHE N N 135 119.300 119.300 118.225 1.075 18547 9788 1 10 . 1 1 145 145 PHE HA H 135 4.580 4.580 4.421 0.159 18547 9789 1 10 . 1 1 145 145 PHE C C 135 178.000 178.000 177.806 0.194 18547 9790 1 10 . 1 1 145 145 PHE CA C 135 61.700 61.700 61.067 0.633 18547 9791 1 10 . 1 1 145 145 PHE CB C 135 39.400 39.400 39.021 0.379 18547 9792 1 10 . 1 1 145 145 PHE H H 135 7.690 7.690 7.996 -0.306 18547 9793 1 10 . 1 1 146 146 LEU N N 136 124.400 124.400 122.937 1.463 18547 9794 1 10 . 1 1 146 146 LEU HA H 136 3.200 3.200 3.665 -0.465 18547 9795 1 10 . 1 1 146 146 LEU C C 136 178.800 178.800 178.221 0.579 18547 9796 1 10 . 1 1 146 146 LEU CA C 136 58.400 58.400 57.190 1.210 18547 9797 1 10 . 1 1 146 146 LEU CB C 136 38.800 38.800 40.692 -1.892 18547 9798 1 10 . 1 1 146 146 LEU H H 136 7.930 7.930 8.030 -0.100 18547 9799 1 10 . 1 1 147 147 GLY N N 137 104.200 104.200 106.237 -2.037 18547 9800 1 10 . 1 1 147 147 GLY C C 137 176.100 176.100 176.390 -0.290 18547 9801 1 10 . 1 1 147 147 GLY CA C 137 47.900 47.900 47.536 0.364 18547 9802 1 10 . 1 1 147 147 GLY H H 137 8.340 8.340 8.395 -0.055 18547 9803 1 10 . 1 1 148 148 MET N N 138 119.300 119.300 120.677 -1.377 18547 9804 1 10 . 1 1 148 148 MET HA H 138 4.090 4.090 4.239 -0.149 18547 9805 1 10 . 1 1 148 148 MET C C 138 177.700 177.700 177.633 0.067 18547 9806 1 10 . 1 1 148 148 MET CA C 138 59.400 59.400 57.221 2.179 18547 9807 1 10 . 1 1 148 148 MET CB C 138 34.500 34.500 31.830 2.670 18547 9808 1 10 . 1 1 148 148 MET H H 138 7.550 7.550 7.639 -0.089 18547 9809 1 10 . 1 1 149 149 PHE N N 139 120.400 120.400 118.870 1.530 18547 9810 1 10 . 1 1 149 149 PHE HA H 139 4.380 4.380 4.337 0.043 18547 9811 1 10 . 1 1 149 149 PHE C C 139 179.100 179.100 177.460 1.640 18547 9812 1 10 . 1 1 149 149 PHE CA C 139 60.800 60.800 60.853 -0.053 18547 9813 1 10 . 1 1 149 149 PHE CB C 139 39.200 39.200 39.183 0.017 18547 9814 1 10 . 1 1 149 149 PHE H H 139 8.600 8.600 7.795 0.805 18547 9815 1 10 . 1 1 150 150 ILE N N 140 121.300 121.300 117.675 3.625 18547 9816 1 10 . 1 1 150 150 ILE HA H 140 3.420 3.420 3.627 -0.207 18547 9817 1 10 . 1 1 150 150 ILE C C 140 177.500 177.500 176.477 1.023 18547 9818 1 10 . 1 1 150 150 ILE CA C 140 63.100 63.100 63.989 -0.889 18547 9819 1 10 . 1 1 150 150 ILE CB C 140 37.100 37.100 38.549 -1.449 18547 9820 1 10 . 1 1 150 150 ILE H H 140 8.780 8.780 7.622 1.158 18547 9821 1 10 . 1 1 151 151 ARG N N 141 116.500 116.500 120.300 -3.800 18547 9822 1 10 . 1 1 151 151 ARG HA H 141 4.220 4.220 4.464 -0.244 18547 9823 1 10 . 1 1 151 151 ARG C C 141 176.700 176.700 174.892 1.808 18547 9824 1 10 . 1 1 151 151 ARG CA C 141 57.500 57.500 55.841 1.659 18547 9825 1 10 . 1 1 151 151 ARG CB C 141 31.500 31.500 31.239 0.261 18547 9826 1 10 . 1 1 151 151 ARG H H 141 7.730 7.730 7.963 -0.233 18547 9827 1 10 . 1 1 152 152 GLY N N 142 106.800 106.800 109.642 -2.842 18547 9828 1 10 . 1 1 152 152 GLY C C 142 174.900 174.900 173.812 1.088 18547 9829 1 10 . 1 1 152 152 GLY CA C 142 45.700 45.700 44.824 0.876 18547 9830 1 10 . 1 1 152 152 GLY H H 142 7.570 7.570 8.596 -1.026 18547 9831 1 10 . 1 1 153 153 ASP N N 143 119.400 119.400 119.530 -0.130 18547 9832 1 10 . 1 1 153 153 ASP HA H 143 4.780 4.780 4.273 0.507 18547 9833 1 10 . 1 1 153 153 ASP C C 143 175.400 175.400 174.545 0.855 18547 9834 1 10 . 1 1 153 153 ASP CA C 143 54.200 54.200 54.906 -0.706 18547 9835 1 10 . 1 1 153 153 ASP CB C 143 42.100 42.100 40.419 1.681 18547 9836 1 10 . 1 1 153 153 ASP H H 143 8.290 8.290 8.136 0.154 18547 9837 1 10 . 1 1 154 154 LEU N N 144 121.300 121.300 125.774 -4.474 18547 9838 1 10 . 1 1 154 154 LEU HA H 144 4.810 4.810 4.900 -0.090 18547 9839 1 10 . 1 1 154 154 LEU CA C 144 52.800 52.800 51.936 0.864 18547 9840 1 10 . 1 1 154 154 LEU CB C 144 42.500 42.500 43.685 -1.185 18547 9841 1 10 . 1 1 154 154 LEU H H 144 8.010 8.010 8.373 -0.363 18547 9842 1 10 . 1 1 155 155 PRO HA H 145 4.480 4.480 4.641 -0.161 18547 9843 1 10 . 1 1 155 155 PRO C C 145 177.600 177.600 177.206 0.394 18547 9844 1 10 . 1 1 155 155 PRO CA C 145 63.500 63.500 63.859 -0.360 18547 9845 1 10 . 1 1 155 155 PRO CB C 145 32.200 32.200 32.532 -0.332 18547 9846 1 10 . 1 1 156 156 GLY N N 146 108.900 108.900 106.402 2.498 18547 9847 1 10 . 1 1 156 156 GLY C C 146 174.300 174.300 173.456 0.844 18547 9848 1 10 . 1 1 156 156 GLY CA C 146 45.100 45.100 45.009 0.091 18547 9849 1 10 . 1 1 156 156 GLY H H 146 8.530 8.530 7.759 0.771 18547 9850 1 10 . 1 1 157 157 GLY N N 147 108.800 108.800 109.623 -0.823 18547 9851 1 10 . 1 1 157 157 GLY CA C 147 44.500 44.500 44.458 0.042 18547 9852 1 10 . 1 1 157 157 GLY H H 147 8.080 8.080 7.845 0.235 18547 9853 1 10 . 1 1 158 158 PRO HA H 148 4.440 4.440 4.502 -0.062 18547 9854 1 10 . 1 1 158 158 PRO C C 148 176.800 176.800 176.337 0.463 18547 9855 1 10 . 1 1 158 158 PRO CA C 148 63.000 63.000 62.421 0.579 18547 9856 1 10 . 1 1 158 158 PRO CB C 148 32.100 32.100 32.343 -0.243 18547 9857 1 10 . 1 1 159 159 VAL N N 149 121.400 121.400 117.756 3.644 18547 9858 1 10 . 1 1 159 159 VAL HA H 149 4.390 4.390 4.118 0.272 18547 9859 1 10 . 1 1 159 159 VAL CA C 149 59.800 59.800 61.661 -1.861 18547 9860 1 10 . 1 1 159 159 VAL CB C 149 32.600 32.600 31.573 1.026 18547 9861 1 10 . 1 1 159 159 VAL H H 149 8.220 8.220 8.100 0.120 18547 9862 1 10 . 1 1 160 160 PRO HA H 150 4.380 4.380 4.318 0.062 18547 9863 1 10 . 1 1 160 160 PRO C C 150 177.200 177.200 176.842 0.358 18547 9864 1 10 . 1 1 160 160 PRO CA C 150 63.300 63.300 64.094 -0.794 18547 9865 1 10 . 1 1 160 160 PRO CB C 150 32.100 32.100 32.498 -0.399 18547 9866 1 10 . 1 1 161 161 GLU N N 151 120.700 120.700 118.165 2.535 18547 9867 1 10 . 1 1 161 161 GLU HA H 151 4.170 4.170 4.441 -0.271 18547 9868 1 10 . 1 1 161 161 GLU CA C 151 57.400 57.400 56.165 1.235 18547 9869 1 10 . 1 1 161 161 GLU CB C 151 29.900 29.900 29.965 -0.065 18547 9870 1 10 . 1 1 161 161 GLU H H 151 8.620 8.620 8.056 0.564 18547 9871 1 10 . 1 1 162 162 ASP N N 152 119.900 119.900 125.121 -5.221 18547 9872 1 10 . 1 1 162 162 ASP HA H 152 4.570 4.570 4.519 0.051 18547 9873 1 10 . 1 1 162 162 ASP C C 152 176.000 176.000 176.765 -0.765 18547 9874 1 10 . 1 1 162 162 ASP CA C 152 54.200 54.200 54.832 -0.632 18547 9875 1 10 . 1 1 162 162 ASP CB C 152 41.000 41.000 41.037 -0.037 18547 9876 1 10 . 1 1 162 162 ASP H H 152 8.250 8.250 8.575 -0.325 18547 9877 1 10 . 1 1 163 163 ALA N N 153 124.000 124.000 118.819 5.181 18547 9878 1 10 . 1 1 163 163 ALA HA H 153 4.270 4.270 3.983 0.287 18547 9879 1 10 . 1 1 163 163 ALA C C 153 177.400 177.400 176.482 0.918 18547 9880 1 10 . 1 1 163 163 ALA CA C 153 52.700 52.700 52.711 -0.010 18547 9881 1 10 . 1 1 163 163 ALA CB C 153 19.200 19.200 17.277 1.923 18547 9882 1 10 . 1 1 163 163 ALA H H 153 8.040 8.040 7.957 0.083 18547 9883 1 10 . 1 1 164 164 ALA N N 154 122.600 122.600 121.200 1.400 18547 9884 1 10 . 1 1 164 164 ALA HA H 154 4.260 4.260 4.508 -0.248 18547 9885 1 10 . 1 1 164 164 ALA C C 154 177.900 177.900 176.965 0.935 18547 9886 1 10 . 1 1 164 164 ALA CA C 154 52.600 52.600 51.533 1.067 18547 9887 1 10 . 1 1 164 164 ALA CB C 154 19.300 19.300 18.145 1.155 18547 9888 1 10 . 1 1 164 164 ALA H H 154 8.190 8.190 8.131 0.059 18547 9889 1 10 . 1 1 165 165 GLU N N 155 119.400 119.400 124.137 -4.737 18547 9890 1 10 . 1 1 165 165 GLU HA H 155 4.220 4.220 4.433 -0.213 18547 9891 1 10 . 1 1 165 165 GLU C C 155 176.200 176.200 176.683 -0.483 18547 9892 1 10 . 1 1 165 165 GLU CA C 155 56.500 56.500 57.168 -0.668 18547 9893 1 10 . 1 1 165 165 GLU CB C 155 30.300 30.300 31.073 -0.773 18547 9894 1 10 . 1 1 165 165 GLU H H 155 8.190 8.190 8.045 0.145 18547 9895 1 10 . 1 1 166 166 GLU N N 156 121.000 121.000 119.192 1.808 18547 9896 1 10 . 1 1 166 166 GLU HA H 156 4.240 4.240 4.561 -0.321 18547 9897 1 10 . 1 1 166 166 GLU C C 156 175.800 175.800 175.353 0.447 18547 9898 1 10 . 1 1 166 166 GLU CA C 156 56.300 56.300 56.430 -0.130 18547 9899 1 10 . 1 1 166 166 GLU CB C 156 30.300 30.300 28.409 1.891 18547 9900 1 10 . 1 1 166 166 GLU H H 156 8.230 8.230 8.526 -0.296 18547 9901 1 10 . 1 1 167 167 PHE N N 157 121.400 121.400 123.914 -2.514 18547 9902 1 10 . 1 1 167 167 PHE HA H 157 4.590 4.590 4.517 0.073 18547 9903 1 10 . 1 1 167 167 PHE C C 157 175.100 175.100 174.356 0.744 18547 9904 1 10 . 1 1 167 167 PHE CA C 157 57.700 57.700 59.089 -1.389 18547 9905 1 10 . 1 1 167 167 PHE CB C 157 39.900 39.900 40.463 -0.563 18547 9906 1 10 . 1 1 167 167 PHE H H 157 8.240 8.240 8.399 -0.159 18547 9907 1 10 . 1 1 168 168 GLU N N 158 124.400 124.400 121.679 2.721 18547 9908 1 10 . 1 1 168 168 GLU HA H 158 4.600 4.600 4.745 -0.145 18547 9909 1 10 . 1 1 168 168 GLU CA C 158 53.700 53.700 53.340 0.360 18547 9910 1 10 . 1 1 168 168 GLU CB C 158 30.400 30.400 30.960 -0.560 18547 9911 1 10 . 1 1 168 168 GLU H H 158 8.130 8.130 8.380 -0.250 18547 9912 1 10 . 1 1 169 169 PRO HA H 159 4.460 4.460 4.574 -0.114 18547 9913 1 10 . 1 1 169 169 PRO C C 159 176.200 176.200 176.283 -0.083 18547 9914 1 10 . 1 1 169 169 PRO CA C 159 62.800 62.800 63.226 -0.426 18547 9915 1 10 . 1 1 169 169 PRO CB C 159 32.300 32.300 31.884 0.416 18547 9916 1 10 . 1 1 170 170 SER N N 160 118.600 118.600 122.828 -4.228 18547 9917 1 10 . 1 1 170 170 SER HA H 160 4.780 4.780 4.767 0.013 18547 9918 1 10 . 1 1 170 170 SER CA C 160 56.200 56.200 55.753 0.447 18547 9919 1 10 . 1 1 170 170 SER CB C 160 63.200 63.200 63.044 0.156 18547 9920 1 10 . 1 1 170 170 SER H H 160 8.290 8.290 8.005 0.285 18547 9921 1 10 . 1 1 171 171 PRO HA H 161 4.350 4.350 4.158 0.192 18547 9922 1 10 . 1 1 171 171 PRO C C 161 179.400 179.400 179.037 0.363 18547 9923 1 10 . 1 1 171 171 PRO CA C 161 65.500 65.500 65.506 -0.006 18547 9924 1 10 . 1 1 171 171 PRO CB C 161 31.700 31.700 32.016 -0.316 18547 9925 1 10 . 1 1 172 172 GLU N N 162 118.300 118.300 118.477 -0.177 18547 9926 1 10 . 1 1 172 172 GLU HA H 162 4.160 4.160 4.165 -0.005 18547 9927 1 10 . 1 1 172 172 GLU C C 162 178.300 178.300 178.986 -0.686 18547 9928 1 10 . 1 1 172 172 GLU CA C 162 59.300 59.300 59.411 -0.111 18547 9929 1 10 . 1 1 172 172 GLU CB C 162 29.400 29.400 29.518 -0.118 18547 9930 1 10 . 1 1 172 172 GLU H H 162 8.540 8.540 8.507 0.033 18547 9931 1 10 . 1 1 173 173 MET N N 163 119.400 119.400 118.832 0.568 18547 9932 1 10 . 1 1 173 173 MET HA H 163 4.260 4.260 4.267 -0.007 18547 9933 1 10 . 1 1 173 173 MET C C 163 179.200 179.200 178.593 0.607 18547 9934 1 10 . 1 1 173 173 MET CA C 163 58.200 58.200 57.872 0.328 18547 9935 1 10 . 1 1 173 173 MET CB C 163 32.500 32.500 32.041 0.459 18547 9936 1 10 . 1 1 173 173 MET H H 163 7.830 7.830 8.202 -0.372 18547 9937 1 10 . 1 1 174 174 MET N N 164 119.300 119.300 118.296 1.004 18547 9938 1 10 . 1 1 174 174 MET HA H 164 4.260 4.260 4.188 0.072 18547 9939 1 10 . 1 1 174 174 MET C C 164 178.600 178.600 178.654 -0.054 18547 9940 1 10 . 1 1 174 174 MET CA C 164 58.200 58.200 59.109 -0.909 18547 9941 1 10 . 1 1 174 174 MET CB C 164 31.900 31.900 32.264 -0.364 18547 9942 1 10 . 1 1 174 174 MET H H 164 8.320 8.320 8.095 0.225 18547 9943 1 10 . 1 1 175 175 ARG N N 165 121.200 121.200 120.401 0.799 18547 9944 1 10 . 1 1 175 175 ARG HA H 165 4.160 4.160 4.060 0.100 18547 9945 1 10 . 1 1 175 175 ARG C C 165 178.800 178.800 178.468 0.332 18547 9946 1 10 . 1 1 175 175 ARG CA C 165 59.400 59.400 58.873 0.527 18547 9947 1 10 . 1 1 175 175 ARG CB C 165 29.900 29.900 29.259 0.641 18547 9948 1 10 . 1 1 175 175 ARG H H 165 8.020 8.020 7.620 0.400 18547 9949 1 10 . 1 1 176 176 ILE N N 166 120.500 120.500 119.049 1.451 18547 9950 1 10 . 1 1 176 176 ILE HA H 166 3.920 3.920 3.679 0.241 18547 9951 1 10 . 1 1 176 176 ILE C C 166 178.500 178.500 178.155 0.345 18547 9952 1 10 . 1 1 176 176 ILE CA C 166 64.500 64.500 64.496 0.004 18547 9953 1 10 . 1 1 176 176 ILE CB C 166 37.900 37.900 36.797 1.103 18547 9954 1 10 . 1 1 176 176 ILE H H 166 8.110 8.110 8.171 -0.061 18547 9955 1 10 . 1 1 177 177 SER N N 167 116.300 116.300 115.588 0.712 18547 9956 1 10 . 1 1 177 177 SER HA H 167 4.240 4.240 4.185 0.055 18547 9957 1 10 . 1 1 177 177 SER C C 167 177.300 177.300 177.224 0.076 18547 9958 1 10 . 1 1 177 177 SER CA C 167 62.500 62.500 61.335 1.165 18547 9959 1 10 . 1 1 177 177 SER CB C 167 62.800 62.800 63.217 -0.417 18547 9960 1 10 . 1 1 177 177 SER H H 167 8.290 8.290 8.059 0.231 18547 9961 1 10 . 1 1 178 178 GLN N N 168 123.300 123.300 121.302 1.998 18547 9962 1 10 . 1 1 178 178 GLN HA H 168 4.110 4.110 4.064 0.046 18547 9963 1 10 . 1 1 178 178 GLN C C 168 178.600 178.600 178.787 -0.187 18547 9964 1 10 . 1 1 178 178 GLN CA C 168 59.200 59.200 58.518 0.682 18547 9965 1 10 . 1 1 178 178 GLN CB C 168 28.000 28.000 27.886 0.114 18547 9966 1 10 . 1 1 178 178 GLN H H 168 8.080 8.080 8.091 -0.011 18547 9967 1 10 . 1 1 179 179 GLU N N 169 121.200 121.200 119.856 1.344 18547 9968 1 10 . 1 1 179 179 GLU HA H 169 4.090 4.090 4.014 0.076 18547 9969 1 10 . 1 1 179 179 GLU C C 169 180.500 180.500 179.171 1.329 18547 9970 1 10 . 1 1 179 179 GLU CA C 169 59.500 59.500 59.362 0.138 18547 9971 1 10 . 1 1 179 179 GLU CB C 169 29.700 29.700 29.171 0.530 18547 9972 1 10 . 1 1 179 179 GLU H H 169 8.380 8.380 8.317 0.063 18547 9973 1 10 . 1 1 180 180 ARG N N 170 120.800 120.800 118.698 2.102 18547 9974 1 10 . 1 1 180 180 ARG HA H 170 4.010 4.010 4.190 -0.180 18547 9975 1 10 . 1 1 180 180 ARG C C 170 178.100 178.100 179.127 -1.027 18547 9976 1 10 . 1 1 180 180 ARG CA C 170 59.900 59.900 58.397 1.503 18547 9977 1 10 . 1 1 180 180 ARG CB C 170 30.600 30.600 29.805 0.795 18547 9978 1 10 . 1 1 180 180 ARG H H 170 8.670 8.670 7.597 1.073 18547 9979 1 10 . 1 1 181 181 GLY N N 171 108.200 108.200 107.451 0.749 18547 9980 1 10 . 1 1 181 181 GLY C C 171 176.600 176.600 176.198 0.402 18547 9981 1 10 . 1 1 181 181 GLY CA C 171 47.800 47.800 47.213 0.587 18547 9982 1 10 . 1 1 181 181 GLY H H 171 8.550 8.550 8.718 -0.168 18547 9983 1 10 . 1 1 182 182 GLU N N 172 121.900 121.900 121.512 0.388 18547 9984 1 10 . 1 1 182 182 GLU HA H 172 4.110 4.110 4.108 0.002 18547 9985 1 10 . 1 1 182 182 GLU C C 172 179.300 179.300 178.817 0.483 18547 9986 1 10 . 1 1 182 182 GLU CA C 172 59.300 59.300 58.482 0.818 18547 9987 1 10 . 1 1 182 182 GLU CB C 172 29.300 29.300 29.317 -0.017 18547 9988 1 10 . 1 1 182 182 GLU H H 172 8.190 8.190 8.293 -0.103 18547 9989 1 10 . 1 1 183 183 ALA N N 173 123.500 123.500 122.566 0.934 18547 9990 1 10 . 1 1 183 183 ALA HA H 173 4.150 4.150 4.063 0.087 18547 9991 1 10 . 1 1 183 183 ALA C C 173 181.500 181.500 179.471 2.029 18547 9992 1 10 . 1 1 183 183 ALA CA C 173 55.000 55.000 54.509 0.491 18547 9993 1 10 . 1 1 183 183 ALA CB C 173 17.100 17.100 17.989 -0.889 18547 9994 1 10 . 1 1 183 183 ALA H H 173 7.800 7.800 7.549 0.251 18547 9995 1 10 . 1 1 184 184 TRP N N 174 118.100 118.100 118.108 -0.008 18547 9996 1 10 . 1 1 184 184 TRP HA H 174 4.540 4.540 4.327 0.213 18547 9997 1 10 . 1 1 184 184 TRP C C 174 178.500 178.500 177.993 0.507 18547 9998 1 10 . 1 1 184 184 TRP CA C 174 60.600 60.600 60.079 0.521 18547 9999 1 10 . 1 1 184 184 TRP CB C 174 30.800 30.800 29.381 1.419 18547 10000 1 10 . 1 1 184 184 TRP H H 174 8.400 8.400 8.278 0.122 18547 10001 1 10 . 1 1 185 185 ALA N N 175 121.700 121.700 121.628 0.072 18547 10002 1 10 . 1 1 185 185 ALA HA H 175 3.920 3.920 3.922 -0.002 18547 10003 1 10 . 1 1 185 185 ALA C C 175 179.600 179.600 178.514 1.086 18547 10004 1 10 . 1 1 185 185 ALA CA C 175 55.600 55.600 54.307 1.293 18547 10005 1 10 . 1 1 185 185 ALA CB C 175 17.900 17.900 17.715 0.185 18547 10006 1 10 . 1 1 185 185 ALA H H 175 8.800 8.800 8.216 0.584 18547 10007 1 10 . 1 1 186 186 ALA N N 176 119.000 119.000 121.194 -2.194 18547 10008 1 10 . 1 1 186 186 ALA HA H 176 4.190 4.190 4.052 0.138 18547 10009 1 10 . 1 1 186 186 ALA C C 176 180.300 180.300 178.871 1.429 18547 10010 1 10 . 1 1 186 186 ALA CA C 176 54.800 54.800 54.639 0.161 18547 10011 1 10 . 1 1 186 186 ALA CB C 176 17.900 17.900 18.510 -0.610 18547 10012 1 10 . 1 1 186 186 ALA H H 176 7.860 7.860 7.600 0.260 18547 10013 1 10 . 1 1 187 187 LEU N N 177 118.500 118.500 118.951 -0.451 18547 10014 1 10 . 1 1 187 187 LEU HA H 177 4.210 4.210 3.981 0.229 18547 10015 1 10 . 1 1 187 187 LEU C C 177 179.400 179.400 179.006 0.394 18547 10016 1 10 . 1 1 187 187 LEU CA C 177 57.600 57.600 57.500 0.100 18547 10017 1 10 . 1 1 187 187 LEU CB C 177 42.700 42.700 41.914 0.786 18547 10018 1 10 . 1 1 187 187 LEU H H 177 7.460 7.460 7.517 -0.057 18547 10019 1 10 . 1 1 188 188 VAL N N 178 118.500 118.500 118.735 -0.235 18547 10020 1 10 . 1 1 188 188 VAL HA H 178 3.660 3.660 3.611 0.049 18547 10021 1 10 . 1 1 188 188 VAL C C 178 177.600 177.600 177.362 0.238 18547 10022 1 10 . 1 1 188 188 VAL CA C 178 66.000 66.000 65.991 0.009 18547 10023 1 10 . 1 1 188 188 VAL CB C 178 32.400 32.400 32.070 0.330 18547 10024 1 10 . 1 1 188 188 VAL H H 178 8.640 8.640 8.036 0.604 18547 10025 1 10 . 1 1 189 189 HIS N N 179 116.000 116.000 116.250 -0.250 18547 10026 1 10 . 1 1 189 189 HIS HA H 179 4.780 4.780 4.515 0.265 18547 10027 1 10 . 1 1 189 189 HIS C C 179 175.300 175.300 177.520 -2.220 18547 10028 1 10 . 1 1 189 189 HIS CA C 179 56.200 56.200 57.946 -1.746 18547 10029 1 10 . 1 1 189 189 HIS CB C 179 28.500 28.500 29.820 -1.319 18547 10030 1 10 . 1 1 189 189 HIS H H 179 8.150 8.150 7.758 0.392 18547 10031 1 10 . 1 1 190 190 SER N N 180 115.000 115.000 114.819 0.181 18547 10032 1 10 . 1 1 190 190 SER HA H 180 4.480 4.480 4.478 0.002 18547 10033 1 10 . 1 1 190 190 SER C C 180 175.100 175.100 175.520 -0.420 18547 10034 1 10 . 1 1 190 190 SER CA C 180 59.500 59.500 59.908 -0.408 18547 10035 1 10 . 1 1 190 190 SER CB C 180 64.000 64.000 63.855 0.145 18547 10036 1 10 . 1 1 190 190 SER H H 180 7.820 7.820 7.773 0.047 18547 10037 1 10 . 1 1 191 191 GLY N N 181 111.100 111.100 109.734 1.366 18547 10038 1 10 . 1 1 191 191 GLY C C 181 173.400 173.400 173.296 0.104 18547 10039 1 10 . 1 1 191 191 GLY CA C 181 45.500 45.500 44.784 0.716 18547 10040 1 10 . 1 1 191 191 GLY H H 181 8.330 8.330 7.768 0.562 18547 10041 1 11 . 1 1 12 12 ALA N N 2 125.600 125.600 117.701 7.899 18547 10042 1 11 . 1 1 12 12 ALA HA H 2 4.300 4.300 4.519 -0.219 18547 10043 1 11 . 1 1 12 12 ALA C C 2 177.600 177.600 178.112 -0.512 18547 10044 1 11 . 1 1 12 12 ALA CA C 2 52.600 52.600 52.596 0.004 18547 10045 1 11 . 1 1 12 12 ALA CB C 2 19.200 19.200 19.108 0.092 18547 10046 1 11 . 1 1 12 12 ALA H H 2 8.380 8.380 8.254 0.126 18547 10047 1 11 . 1 1 13 13 SER N N 3 115.000 115.000 116.607 -1.607 18547 10048 1 11 . 1 1 13 13 SER HA H 3 4.390 4.390 4.237 0.153 18547 10049 1 11 . 1 1 13 13 SER C C 3 175.100 175.100 175.831 -0.731 18547 10050 1 11 . 1 1 13 13 SER CA C 3 58.500 58.500 60.659 -2.159 18547 10051 1 11 . 1 1 13 13 SER CB C 3 63.800 63.800 63.235 0.565 18547 10052 1 11 . 1 1 13 13 SER H H 3 8.250 8.250 8.590 -0.340 18547 10053 1 11 . 1 1 14 14 GLY N N 4 110.700 110.700 111.293 -0.593 18547 10054 1 11 . 1 1 14 14 GLY C C 4 174.000 174.000 173.315 0.685 18547 10055 1 11 . 1 1 14 14 GLY CA C 4 45.400 45.400 44.433 0.967 18547 10056 1 11 . 1 1 14 14 GLY H H 4 8.390 8.390 8.236 0.154 18547 10057 1 11 . 1 1 15 15 GLN N N 5 120.100 120.100 123.920 -3.820 18547 10058 1 11 . 1 1 15 15 GLN HA H 5 4.310 4.310 4.088 0.222 18547 10059 1 11 . 1 1 15 15 GLN C C 5 175.500 175.500 175.383 0.117 18547 10060 1 11 . 1 1 15 15 GLN CA C 5 55.600 55.600 55.561 0.039 18547 10061 1 11 . 1 1 15 15 GLN CB C 5 29.700 29.700 28.363 1.337 18547 10062 1 11 . 1 1 15 15 GLN H H 5 8.190 8.190 8.081 0.109 18547 10063 1 11 . 1 1 16 16 ALA N N 6 126.000 126.000 131.892 -5.892 18547 10064 1 11 . 1 1 16 16 ALA HA H 6 4.360 4.360 4.294 0.066 18547 10065 1 11 . 1 1 16 16 ALA C C 6 177.300 177.300 175.945 1.355 18547 10066 1 11 . 1 1 16 16 ALA CA C 6 52.300 52.300 52.148 0.152 18547 10067 1 11 . 1 1 16 16 ALA CB C 6 19.200 19.200 18.528 0.672 18547 10068 1 11 . 1 1 16 16 ALA H H 6 8.400 8.400 8.389 0.011 18547 10069 1 11 . 1 1 17 17 THR N N 7 119.200 119.200 120.156 -0.956 18547 10070 1 11 . 1 1 17 17 THR HA H 7 4.370 4.370 5.049 -0.679 18547 10071 1 11 . 1 1 17 17 THR C C 7 173.600 173.600 173.729 -0.129 18547 10072 1 11 . 1 1 17 17 THR CA C 7 63.200 63.200 61.689 1.511 18547 10073 1 11 . 1 1 17 17 THR CB C 7 70.600 70.600 69.987 0.613 18547 10074 1 11 . 1 1 17 17 THR H H 7 8.180 8.180 7.758 0.422 18547 10075 1 11 . 1 1 18 18 GLU N N 8 127.500 127.500 126.589 0.911 18547 10076 1 11 . 1 1 18 18 GLU HA H 8 4.540 4.540 4.458 0.082 18547 10077 1 11 . 1 1 18 18 GLU C C 8 174.200 174.200 175.433 -1.233 18547 10078 1 11 . 1 1 18 18 GLU CA C 8 55.100 55.100 55.582 -0.482 18547 10079 1 11 . 1 1 18 18 GLU CB C 8 31.900 31.900 31.141 0.759 18547 10080 1 11 . 1 1 18 18 GLU H H 8 8.810 8.810 8.407 0.403 18547 10081 1 11 . 1 1 19 19 ARG N N 9 122.100 122.100 121.553 0.547 18547 10082 1 11 . 1 1 19 19 ARG HA H 9 5.060 5.060 5.359 -0.299 18547 10083 1 11 . 1 1 19 19 ARG C C 9 175.000 175.000 174.531 0.469 18547 10084 1 11 . 1 1 19 19 ARG CA C 9 54.800 54.800 53.876 0.924 18547 10085 1 11 . 1 1 19 19 ARG CB C 9 31.600 31.600 31.856 -0.256 18547 10086 1 11 . 1 1 19 19 ARG H H 9 8.070 8.070 8.449 -0.379 18547 10087 1 11 . 1 1 20 20 ALA N N 10 126.300 126.300 124.783 1.517 18547 10088 1 11 . 1 1 20 20 ALA HA H 10 4.640 4.640 4.701 -0.061 18547 10089 1 11 . 1 1 20 20 ALA C C 10 173.800 173.800 174.889 -1.089 18547 10090 1 11 . 1 1 20 20 ALA CA C 10 51.100 51.100 51.533 -0.433 18547 10091 1 11 . 1 1 20 20 ALA CB C 10 22.800 22.800 21.190 1.610 18547 10092 1 11 . 1 1 20 20 ALA H H 10 9.390 9.390 8.452 0.938 18547 10093 1 11 . 1 1 21 21 LEU N N 11 117.500 117.500 118.545 -1.045 18547 10094 1 11 . 1 1 21 21 LEU HA H 11 5.790 5.790 5.511 0.279 18547 10095 1 11 . 1 1 21 21 LEU C C 11 178.100 178.100 176.441 1.659 18547 10096 1 11 . 1 1 21 21 LEU CA C 11 53.100 53.100 53.523 -0.423 18547 10097 1 11 . 1 1 21 21 LEU CB C 11 45.400 45.400 46.994 -1.594 18547 10098 1 11 . 1 1 21 21 LEU H H 11 8.280 8.280 8.292 -0.012 18547 10099 1 11 . 1 1 22 22 GLY N N 12 113.400 113.400 107.485 5.915 18547 10100 1 11 . 1 1 22 22 GLY C C 12 174.800 174.800 171.556 3.244 18547 10101 1 11 . 1 1 22 22 GLY CA C 12 44.500 44.500 45.424 -0.924 18547 10102 1 11 . 1 1 22 22 GLY H H 12 8.830 8.830 8.589 0.241 18547 10103 1 11 . 1 1 23 23 ARG N N 13 119.600 119.600 119.681 -0.081 18547 10104 1 11 . 1 1 23 23 ARG HA H 13 5.040 5.040 5.009 0.031 18547 10105 1 11 . 1 1 23 23 ARG C C 13 174.900 174.900 175.134 -0.234 18547 10106 1 11 . 1 1 23 23 ARG CA C 13 55.800 55.800 55.358 0.442 18547 10107 1 11 . 1 1 23 23 ARG CB C 13 33.600 33.600 33.049 0.551 18547 10108 1 11 . 1 1 23 23 ARG H H 13 8.160 8.160 8.468 -0.308 18547 10109 1 11 . 1 1 24 24 ARG N N 14 121.900 121.900 125.253 -3.353 18547 10110 1 11 . 1 1 24 24 ARG HA H 14 4.530 4.530 4.646 -0.116 18547 10111 1 11 . 1 1 24 24 ARG C C 14 174.000 174.000 174.500 -0.500 18547 10112 1 11 . 1 1 24 24 ARG CA C 14 55.200 55.200 55.409 -0.209 18547 10113 1 11 . 1 1 24 24 ARG CB C 14 34.700 34.700 33.365 1.335 18547 10114 1 11 . 1 1 24 24 ARG H H 14 8.780 8.780 9.061 -0.281 18547 10115 1 11 . 1 1 25 25 THR N N 15 121.700 121.700 121.034 0.666 18547 10116 1 11 . 1 1 25 25 THR HA H 15 4.420 4.420 4.310 0.110 18547 10117 1 11 . 1 1 25 25 THR C C 15 173.700 173.700 174.509 -0.809 18547 10118 1 11 . 1 1 25 25 THR CA C 15 63.600 63.600 64.214 -0.614 18547 10119 1 11 . 1 1 25 25 THR CB C 15 68.600 68.600 69.301 -0.701 18547 10120 1 11 . 1 1 25 25 THR H H 15 8.800 8.800 8.312 0.488 18547 10121 1 11 . 1 1 26 26 ILE N N 16 124.200 124.200 120.355 3.845 18547 10122 1 11 . 1 1 26 26 ILE HA H 16 4.940 4.940 4.919 0.021 18547 10123 1 11 . 1 1 26 26 ILE CA C 16 59.300 59.300 57.237 2.063 18547 10124 1 11 . 1 1 26 26 ILE CB C 16 38.200 38.200 40.331 -2.131 18547 10125 1 11 . 1 1 26 26 ILE H H 16 8.420 8.420 8.080 0.340 18547 10126 1 11 . 1 1 27 27 PRO HA H 17 4.180 4.180 4.248 -0.068 18547 10127 1 11 . 1 1 27 27 PRO C C 17 178.100 178.100 176.154 1.946 18547 10128 1 11 . 1 1 27 27 PRO CA C 17 67.200 67.200 65.542 1.658 18547 10129 1 11 . 1 1 27 27 PRO CB C 17 30.700 30.700 31.349 -0.649 18547 10130 1 11 . 1 1 28 28 ALA N N 18 114.800 114.800 118.190 -3.390 18547 10131 1 11 . 1 1 28 28 ALA HA H 18 4.270 4.270 4.544 -0.274 18547 10132 1 11 . 1 1 28 28 ALA C C 18 177.000 177.000 177.485 -0.485 18547 10133 1 11 . 1 1 28 28 ALA CA C 18 53.100 53.100 51.407 1.693 18547 10134 1 11 . 1 1 28 28 ALA CB C 18 19.500 19.500 19.909 -0.409 18547 10135 1 11 . 1 1 28 28 ALA H H 18 8.060 8.060 8.076 -0.016 18547 10136 1 11 . 1 1 29 29 GLY N N 19 107.100 107.100 107.730 -0.630 18547 10137 1 11 . 1 1 29 29 GLY C C 19 171.900 171.900 172.093 -0.193 18547 10138 1 11 . 1 1 29 29 GLY CA C 19 44.000 44.000 44.735 -0.735 18547 10139 1 11 . 1 1 29 29 GLY H H 19 8.140 8.140 7.646 0.494 18547 10140 1 11 . 1 1 30 30 GLU N N 20 120.000 120.000 120.720 -0.720 18547 10141 1 11 . 1 1 30 30 GLU HA H 20 4.320 4.320 4.501 -0.181 18547 10142 1 11 . 1 1 30 30 GLU C C 20 175.600 175.600 175.863 -0.263 18547 10143 1 11 . 1 1 30 30 GLU CA C 20 57.300 57.300 55.795 1.505 18547 10144 1 11 . 1 1 30 30 GLU CB C 20 29.100 29.100 29.264 -0.164 18547 10145 1 11 . 1 1 30 30 GLU H H 20 8.380 8.380 8.505 -0.125 18547 10146 1 11 . 1 1 31 31 ALA N N 21 129.500 129.500 128.221 1.279 18547 10147 1 11 . 1 1 31 31 ALA HA H 21 4.610 4.610 4.511 0.099 18547 10148 1 11 . 1 1 31 31 ALA C C 21 177.200 177.200 176.478 0.722 18547 10149 1 11 . 1 1 31 31 ALA CA C 21 51.200 51.200 51.507 -0.306 18547 10150 1 11 . 1 1 31 31 ALA CB C 21 22.500 22.500 20.593 1.907 18547 10151 1 11 . 1 1 31 31 ALA H H 21 8.660 8.660 8.233 0.427 18547 10152 1 11 . 1 1 32 32 ARG N N 22 120.400 120.400 119.283 1.117 18547 10153 1 11 . 1 1 32 32 ARG HA H 22 4.950 4.950 5.014 -0.064 18547 10154 1 11 . 1 1 32 32 ARG C C 22 173.400 173.400 175.743 -2.343 18547 10155 1 11 . 1 1 32 32 ARG CA C 22 55.500 55.500 54.744 0.756 18547 10156 1 11 . 1 1 32 32 ARG CB C 22 32.500 32.500 33.414 -0.914 18547 10157 1 11 . 1 1 32 32 ARG H H 22 8.090 8.090 8.097 -0.007 18547 10158 1 11 . 1 1 33 33 SER N N 23 113.800 113.800 114.357 -0.557 18547 10159 1 11 . 1 1 33 33 SER HA H 23 5.560 5.560 5.483 0.077 18547 10160 1 11 . 1 1 33 33 SER C C 23 174.500 174.500 174.261 0.239 18547 10161 1 11 . 1 1 33 33 SER CA C 23 55.600 55.600 56.411 -0.811 18547 10162 1 11 . 1 1 33 33 SER CB C 23 67.300 67.300 66.288 1.012 18547 10163 1 11 . 1 1 33 33 SER H H 23 8.080 8.080 8.720 -0.640 18547 10164 1 11 . 1 1 34 34 ILE N N 24 112.700 112.700 117.614 -4.914 18547 10165 1 11 . 1 1 34 34 ILE HA H 24 4.950 4.950 4.889 0.061 18547 10166 1 11 . 1 1 34 34 ILE C C 24 175.400 175.400 174.682 0.718 18547 10167 1 11 . 1 1 34 34 ILE CA C 24 58.300 58.300 60.340 -2.039 18547 10168 1 11 . 1 1 34 34 ILE CB C 24 39.900 39.900 39.299 0.601 18547 10169 1 11 . 1 1 34 34 ILE H H 24 7.980 7.980 8.520 -0.540 18547 10170 1 11 . 1 1 35 35 ILE N N 25 121.800 121.800 123.850 -2.050 18547 10171 1 11 . 1 1 35 35 ILE HA H 25 4.960 4.960 4.601 0.359 18547 10172 1 11 . 1 1 35 35 ILE C C 25 174.800 174.800 174.852 -0.052 18547 10173 1 11 . 1 1 35 35 ILE CA C 25 60.700 60.700 60.430 0.270 18547 10174 1 11 . 1 1 35 35 ILE CB C 25 41.300 41.300 39.846 1.454 18547 10175 1 11 . 1 1 35 35 ILE H H 25 8.960 8.960 8.312 0.648 18547 10176 1 11 . 1 1 36 36 ILE N N 26 127.900 127.900 127.535 0.365 18547 10177 1 11 . 1 1 36 36 ILE HA H 26 4.770 4.770 5.011 -0.241 18547 10178 1 11 . 1 1 36 36 ILE C C 26 175.000 175.000 175.170 -0.170 18547 10179 1 11 . 1 1 36 36 ILE CA C 26 59.900 59.900 59.918 -0.018 18547 10180 1 11 . 1 1 36 36 ILE CB C 26 42.100 42.100 39.150 2.950 18547 10181 1 11 . 1 1 36 36 ILE H H 26 9.210 9.210 8.604 0.606 18547 10182 1 11 . 1 1 37 37 ARG N N 27 124.100 124.100 127.888 -3.788 18547 10183 1 11 . 1 1 37 37 ARG HA H 27 5.850 5.850 5.536 0.314 18547 10184 1 11 . 1 1 37 37 ARG C C 27 176.200 176.200 175.327 0.873 18547 10185 1 11 . 1 1 37 37 ARG CA C 27 54.100 54.100 54.103 -0.003 18547 10186 1 11 . 1 1 37 37 ARG CB C 27 32.900 32.900 32.337 0.563 18547 10187 1 11 . 1 1 37 37 ARG H H 27 8.670 8.670 8.847 -0.177 18547 10188 1 11 . 1 1 38 38 GLN N N 28 122.900 122.900 118.616 4.284 18547 10189 1 11 . 1 1 38 38 GLN HA H 28 4.710 4.710 5.348 -0.638 18547 10190 1 11 . 1 1 38 38 GLN C C 28 173.200 173.200 174.197 -0.997 18547 10191 1 11 . 1 1 38 38 GLN CA C 28 54.400 54.400 54.256 0.144 18547 10192 1 11 . 1 1 38 38 GLN CB C 28 35.200 35.200 32.580 2.620 18547 10193 1 11 . 1 1 38 38 GLN H H 28 9.310 9.310 8.537 0.773 18547 10194 1 11 . 1 1 39 39 ARG N N 29 121.400 121.400 123.236 -1.836 18547 10195 1 11 . 1 1 39 39 ARG HA H 29 5.260 5.260 5.014 0.246 18547 10196 1 11 . 1 1 39 39 ARG C C 29 175.400 175.400 175.795 -0.395 18547 10197 1 11 . 1 1 39 39 ARG CA C 29 55.100 55.100 54.596 0.503 18547 10198 1 11 . 1 1 39 39 ARG CB C 29 32.500 32.500 30.264 2.236 18547 10199 1 11 . 1 1 39 39 ARG H H 29 8.510 8.510 7.962 0.548 18547 10200 1 11 . 1 1 40 40 TYR N N 30 120.000 120.000 124.800 -4.800 18547 10201 1 11 . 1 1 40 40 TYR HA H 30 4.600 4.600 4.479 0.121 18547 10202 1 11 . 1 1 40 40 TYR C C 30 175.600 175.600 176.008 -0.408 18547 10203 1 11 . 1 1 40 40 TYR CA C 30 56.900 56.900 57.468 -0.568 18547 10204 1 11 . 1 1 40 40 TYR CB C 30 42.700 42.700 39.676 3.024 18547 10205 1 11 . 1 1 40 40 TYR H H 30 9.140 9.140 8.722 0.418 18547 10206 1 11 . 1 1 41 41 ASP N N 31 126.400 126.400 122.546 3.854 18547 10207 1 11 . 1 1 41 41 ASP HA H 31 4.880 4.880 4.562 0.318 18547 10208 1 11 . 1 1 41 41 ASP C C 31 174.500 174.500 174.648 -0.148 18547 10209 1 11 . 1 1 41 41 ASP CA C 31 53.200 53.200 54.029 -0.829 18547 10210 1 11 . 1 1 41 41 ASP CB C 31 39.200 39.200 40.395 -1.195 18547 10211 1 11 . 1 1 41 41 ASP H H 31 9.140 9.140 9.029 0.111 18547 10212 1 11 . 1 1 42 42 ALA N N 32 123.100 123.100 121.903 1.197 18547 10213 1 11 . 1 1 42 42 ALA HA H 32 4.690 4.690 4.739 -0.049 18547 10214 1 11 . 1 1 42 42 ALA CA C 32 50.100 50.100 49.187 0.913 18547 10215 1 11 . 1 1 42 42 ALA CB C 32 20.200 20.200 20.610 -0.410 18547 10216 1 11 . 1 1 42 42 ALA H H 32 7.770 7.770 7.510 0.260 18547 10217 1 11 . 1 1 43 43 PRO HA H 33 4.650 4.650 4.507 0.143 18547 10218 1 11 . 1 1 43 43 PRO C C 33 178.100 178.100 177.647 0.453 18547 10219 1 11 . 1 1 43 43 PRO CA C 33 62.000 62.000 62.767 -0.767 18547 10220 1 11 . 1 1 43 43 PRO CB C 33 33.000 33.000 32.929 0.071 18547 10221 1 11 . 1 1 44 44 VAL N N 34 123.500 123.500 119.724 3.776 18547 10222 1 11 . 1 1 44 44 VAL HA H 34 3.960 3.960 3.684 0.276 18547 10223 1 11 . 1 1 44 44 VAL C C 34 177.500 177.500 177.967 -0.467 18547 10224 1 11 . 1 1 44 44 VAL CA C 34 66.000 66.000 66.703 -0.703 18547 10225 1 11 . 1 1 44 44 VAL CB C 34 32.000 32.000 31.966 0.034 18547 10226 1 11 . 1 1 44 44 VAL H H 34 8.570 8.570 8.621 -0.051 18547 10227 1 11 . 1 1 45 45 ASP N N 35 116.200 116.200 119.183 -2.983 18547 10228 1 11 . 1 1 45 45 ASP HA H 35 4.290 4.290 4.391 -0.101 18547 10229 1 11 . 1 1 45 45 ASP C C 35 178.800 178.800 178.408 0.392 18547 10230 1 11 . 1 1 45 45 ASP CA C 35 57.500 57.500 58.156 -0.656 18547 10231 1 11 . 1 1 45 45 ASP CB C 35 40.400 40.400 40.067 0.333 18547 10232 1 11 . 1 1 45 45 ASP H H 35 8.520 8.520 8.684 -0.164 18547 10233 1 11 . 1 1 46 46 GLU N N 36 120.100 120.100 120.322 -0.222 18547 10234 1 11 . 1 1 46 46 GLU HA H 36 4.260 4.260 4.128 0.132 18547 10235 1 11 . 1 1 46 46 GLU C C 36 179.000 179.000 178.753 0.247 18547 10236 1 11 . 1 1 46 46 GLU CA C 36 58.400 58.400 59.396 -0.996 18547 10237 1 11 . 1 1 46 46 GLU CB C 36 29.700 29.700 29.313 0.387 18547 10238 1 11 . 1 1 46 46 GLU H H 36 7.360 7.360 8.157 -0.797 18547 10239 1 11 . 1 1 47 47 VAL N N 37 121.800 121.800 119.814 1.986 18547 10240 1 11 . 1 1 47 47 VAL HA H 37 3.370 3.370 3.690 -0.320 18547 10241 1 11 . 1 1 47 47 VAL C C 37 177.100 177.100 177.704 -0.604 18547 10242 1 11 . 1 1 47 47 VAL CA C 37 66.900 66.900 66.877 0.023 18547 10243 1 11 . 1 1 47 47 VAL CB C 37 31.000 31.000 31.291 -0.291 18547 10244 1 11 . 1 1 47 47 VAL H H 37 7.680 7.680 7.903 -0.223 18547 10245 1 11 . 1 1 48 48 TRP N N 38 119.800 119.800 121.204 -1.404 18547 10246 1 11 . 1 1 48 48 TRP HA H 38 3.990 3.990 4.229 -0.239 18547 10247 1 11 . 1 1 48 48 TRP C C 38 180.700 180.700 178.572 2.128 18547 10248 1 11 . 1 1 48 48 TRP CA C 38 60.900 60.900 60.772 0.128 18547 10249 1 11 . 1 1 48 48 TRP CB C 38 29.300 29.300 29.335 -0.035 18547 10250 1 11 . 1 1 48 48 TRP H H 38 9.160 9.160 8.158 1.002 18547 10251 1 11 . 1 1 49 49 SER N N 39 116.100 116.100 116.168 -0.068 18547 10252 1 11 . 1 1 49 49 SER HA H 39 4.010 4.010 4.127 -0.117 18547 10253 1 11 . 1 1 49 49 SER C C 39 175.700 175.700 176.807 -1.107 18547 10254 1 11 . 1 1 49 49 SER CA C 39 62.700 62.700 61.868 0.832 18547 10255 1 11 . 1 1 49 49 SER CB C 39 62.700 62.700 63.176 -0.476 18547 10256 1 11 . 1 1 49 49 SER H H 39 8.230 8.230 8.204 0.026 18547 10257 1 11 . 1 1 50 50 ALA N N 40 122.300 122.300 123.474 -1.174 18547 10258 1 11 . 1 1 50 50 ALA HA H 40 4.020 4.020 4.233 -0.213 18547 10259 1 11 . 1 1 50 50 ALA C C 40 176.700 176.700 179.168 -2.468 18547 10260 1 11 . 1 1 50 50 ALA CA C 40 55.200 55.200 55.167 0.033 18547 10261 1 11 . 1 1 50 50 ALA CB C 40 18.800 18.800 18.482 0.318 18547 10262 1 11 . 1 1 50 50 ALA H H 40 7.770 7.770 8.408 -0.638 18547 10263 1 11 . 1 1 51 51 CYS N N 41 109.400 109.400 114.050 -4.650 18547 10264 1 11 . 1 1 51 51 CYS HA H 41 4.510 4.510 4.827 -0.317 18547 10265 1 11 . 1 1 51 51 CYS C C 41 172.200 172.200 175.543 -3.343 18547 10266 1 11 . 1 1 51 51 CYS CA C 41 61.100 61.100 60.806 0.294 18547 10267 1 11 . 1 1 51 51 CYS CB C 41 29.800 29.800 27.684 2.116 18547 10268 1 11 . 1 1 51 51 CYS H H 41 7.080 7.080 7.904 -0.824 18547 10269 1 11 . 1 1 52 52 THR N N 42 100.100 100.100 112.797 -12.697 18547 10270 1 11 . 1 1 52 52 THR HA H 42 4.240 4.240 4.160 0.080 18547 10271 1 11 . 1 1 52 52 THR C C 42 173.500 173.500 174.377 -0.877 18547 10272 1 11 . 1 1 52 52 THR CA C 42 62.200 62.200 62.114 0.086 18547 10273 1 11 . 1 1 52 52 THR CB C 42 71.800 71.800 69.397 2.403 18547 10274 1 11 . 1 1 52 52 THR H H 42 6.800 6.800 7.423 -0.623 18547 10275 1 11 . 1 1 53 53 ASP N N 43 123.000 123.000 124.230 -1.230 18547 10276 1 11 . 1 1 53 53 ASP HA H 43 5.080 5.080 4.723 0.357 18547 10277 1 11 . 1 1 53 53 ASP CA C 43 50.600 50.600 52.316 -1.716 18547 10278 1 11 . 1 1 53 53 ASP CB C 43 42.000 42.000 42.521 -0.521 18547 10279 1 11 . 1 1 53 53 ASP H H 43 8.040 8.040 7.870 0.170 18547 10280 1 11 . 1 1 54 54 PRO HA H 44 3.960 3.960 4.273 -0.313 18547 10281 1 11 . 1 1 54 54 PRO C C 44 176.300 176.300 177.950 -1.650 18547 10282 1 11 . 1 1 54 54 PRO CA C 44 65.900 65.900 64.715 1.185 18547 10283 1 11 . 1 1 54 54 PRO CB C 44 32.700 32.700 32.127 0.573 18547 10284 1 11 . 1 1 55 55 ASN N N 45 112.700 112.700 118.007 -5.307 18547 10285 1 11 . 1 1 55 55 ASN HA H 45 4.520 4.520 4.440 0.080 18547 10286 1 11 . 1 1 55 55 ASN C C 45 175.900 175.900 177.527 -1.627 18547 10287 1 11 . 1 1 55 55 ASN CA C 45 55.100 55.100 56.918 -1.818 18547 10288 1 11 . 1 1 55 55 ASN CB C 45 38.900 38.900 38.153 0.747 18547 10289 1 11 . 1 1 55 55 ASN H H 45 8.160 8.160 7.777 0.383 18547 10290 1 11 . 1 1 56 56 ARG N N 46 117.700 117.700 120.360 -2.660 18547 10291 1 11 . 1 1 56 56 ARG HA H 46 4.250 4.250 4.016 0.234 18547 10292 1 11 . 1 1 56 56 ARG C C 46 177.100 177.100 179.151 -2.051 18547 10293 1 11 . 1 1 56 56 ARG CA C 46 58.400 58.400 59.154 -0.754 18547 10294 1 11 . 1 1 56 56 ARG CB C 46 31.800 31.800 30.311 1.489 18547 10295 1 11 . 1 1 56 56 ARG H H 46 7.940 7.940 8.255 -0.315 18547 10296 1 11 . 1 1 57 57 ILE N N 47 120.100 120.100 120.260 -0.160 18547 10297 1 11 . 1 1 57 57 ILE HA H 47 3.420 3.420 3.097 0.323 18547 10298 1 11 . 1 1 57 57 ILE C C 47 177.400 177.400 177.437 -0.037 18547 10299 1 11 . 1 1 57 57 ILE CA C 47 64.400 64.400 64.489 -0.089 18547 10300 1 11 . 1 1 57 57 ILE CB C 47 39.500 39.500 37.451 2.049 18547 10301 1 11 . 1 1 57 57 ILE H H 47 8.610 8.610 7.883 0.727 18547 10302 1 11 . 1 1 58 58 ASN N N 48 112.100 112.100 118.186 -6.086 18547 10303 1 11 . 1 1 58 58 ASN HA H 48 3.780 3.780 4.657 -0.877 18547 10304 1 11 . 1 1 58 58 ASN C C 48 175.300 175.300 176.687 -1.387 18547 10305 1 11 . 1 1 58 58 ASN CA C 48 54.400 54.400 55.023 -0.623 18547 10306 1 11 . 1 1 58 58 ASN CB C 48 38.200 38.200 37.961 0.239 18547 10307 1 11 . 1 1 58 58 ASN H H 48 7.440 7.440 7.941 -0.501 18547 10308 1 11 . 1 1 59 59 ARG N N 49 115.600 115.600 118.594 -2.994 18547 10309 1 11 . 1 1 59 59 ARG HA H 49 4.120 4.120 4.044 0.076 18547 10310 1 11 . 1 1 59 59 ARG C C 49 174.700 174.700 176.832 -2.132 18547 10311 1 11 . 1 1 59 59 ARG CA C 49 55.900 55.900 57.334 -1.434 18547 10312 1 11 . 1 1 59 59 ARG CB C 49 29.900 29.900 30.102 -0.202 18547 10313 1 11 . 1 1 59 59 ARG H H 49 7.370 7.370 7.438 -0.068 18547 10314 1 11 . 1 1 60 60 TRP N N 50 112.500 112.500 114.566 -2.066 18547 10315 1 11 . 1 1 60 60 TRP HA H 50 4.860 4.860 4.893 -0.033 18547 10316 1 11 . 1 1 60 60 TRP C C 50 173.400 173.400 173.896 -0.496 18547 10317 1 11 . 1 1 60 60 TRP CA C 50 55.800 55.800 55.975 -0.175 18547 10318 1 11 . 1 1 60 60 TRP CB C 50 31.500 31.500 31.025 0.475 18547 10319 1 11 . 1 1 60 60 TRP H H 50 6.860 6.860 7.684 -0.824 18547 10320 1 11 . 1 1 61 61 PHE N N 51 126.400 126.400 118.087 8.313 18547 10321 1 11 . 1 1 61 61 PHE HA H 51 4.690 4.690 4.618 0.072 18547 10322 1 11 . 1 1 61 61 PHE C C 51 173.000 173.000 173.316 -0.316 18547 10323 1 11 . 1 1 61 61 PHE CA C 51 55.000 55.000 57.322 -2.322 18547 10324 1 11 . 1 1 61 61 PHE CB C 51 37.600 37.600 41.157 -3.557 18547 10325 1 11 . 1 1 61 61 PHE H H 51 7.830 7.830 7.270 0.560 18547 10326 1 11 . 1 1 62 62 ILE N N 52 126.800 126.800 121.297 5.503 18547 10327 1 11 . 1 1 62 62 ILE HA H 52 3.760 3.760 4.089 -0.329 18547 10328 1 11 . 1 1 62 62 ILE C C 52 172.600 172.600 175.744 -3.144 18547 10329 1 11 . 1 1 62 62 ILE CA C 52 59.900 59.900 60.437 -0.537 18547 10330 1 11 . 1 1 62 62 ILE CB C 52 41.600 41.600 38.498 3.102 18547 10331 1 11 . 1 1 62 62 ILE H H 52 6.010 6.010 7.205 -1.195 18547 10332 1 11 . 1 1 63 63 GLU N N 53 124.400 124.400 126.796 -2.396 18547 10333 1 11 . 1 1 63 63 GLU HA H 53 3.850 3.850 4.294 -0.444 18547 10334 1 11 . 1 1 63 63 GLU CA C 53 54.800 54.800 54.594 0.206 18547 10335 1 11 . 1 1 63 63 GLU CB C 53 31.700 31.700 29.000 2.700 18547 10336 1 11 . 1 1 63 63 GLU H H 53 8.280 8.280 8.464 -0.184 18547 10337 1 11 . 1 1 64 64 PRO HA H 54 4.920 4.920 4.986 -0.066 18547 10338 1 11 . 1 1 64 64 PRO C C 54 175.500 175.500 176.586 -1.086 18547 10339 1 11 . 1 1 64 64 PRO CA C 54 62.000 62.000 61.982 0.018 18547 10340 1 11 . 1 1 64 64 PRO CB C 54 31.800 31.800 32.493 -0.693 18547 10341 1 11 . 1 1 65 65 LYS N N 55 120.200 120.200 125.508 -5.308 18547 10342 1 11 . 1 1 65 65 LYS HA H 55 4.780 4.780 4.611 0.169 18547 10343 1 11 . 1 1 65 65 LYS C C 55 176.000 176.000 176.328 -0.328 18547 10344 1 11 . 1 1 65 65 LYS CA C 55 54.200 54.200 55.842 -1.642 18547 10345 1 11 . 1 1 65 65 LYS CB C 55 35.300 35.300 34.292 1.008 18547 10346 1 11 . 1 1 65 65 LYS H H 55 8.370 8.370 8.615 -0.245 18547 10347 1 11 . 1 1 66 66 GLY N N 56 109.400 109.400 108.609 0.791 18547 10348 1 11 . 1 1 66 66 GLY C C 56 171.400 171.400 174.119 -2.719 18547 10349 1 11 . 1 1 66 66 GLY CA C 56 45.400 45.400 44.860 0.540 18547 10350 1 11 . 1 1 66 66 GLY H H 56 8.640 8.640 8.239 0.401 18547 10351 1 11 . 1 1 67 67 ASP N N 57 123.800 123.800 121.807 1.993 18547 10352 1 11 . 1 1 67 67 ASP HA H 57 4.900 4.900 4.509 0.391 18547 10353 1 11 . 1 1 67 67 ASP C C 57 175.600 175.600 177.222 -1.622 18547 10354 1 11 . 1 1 67 67 ASP CA C 57 52.400 52.400 56.010 -3.610 18547 10355 1 11 . 1 1 67 67 ASP CB C 57 40.700 40.700 41.432 -0.732 18547 10356 1 11 . 1 1 67 67 ASP H H 57 7.790 7.790 8.348 -0.558 18547 10357 1 11 . 1 1 68 68 LEU N N 58 122.800 122.800 114.239 8.561 18547 10358 1 11 . 1 1 68 68 LEU HA H 58 4.270 4.270 4.031 0.239 18547 10359 1 11 . 1 1 68 68 LEU C C 58 173.700 173.700 175.613 -1.913 18547 10360 1 11 . 1 1 68 68 LEU CA C 58 54.500 54.500 55.730 -1.230 18547 10361 1 11 . 1 1 68 68 LEU CB C 58 38.300 38.300 40.492 -2.192 18547 10362 1 11 . 1 1 68 68 LEU H H 58 8.330 8.330 7.712 0.618 18547 10363 1 11 . 1 1 69 69 ARG N N 59 121.800 121.800 116.534 5.266 18547 10364 1 11 . 1 1 69 69 ARG HA H 59 4.710 4.710 4.735 -0.025 18547 10365 1 11 . 1 1 69 69 ARG CA C 59 54.100 54.100 53.284 0.816 18547 10366 1 11 . 1 1 69 69 ARG CB C 59 31.800 31.800 33.492 -1.692 18547 10367 1 11 . 1 1 69 69 ARG H H 59 8.120 8.120 7.463 0.657 18547 10368 1 11 . 1 1 70 70 GLU N N 60 122.800 122.800 122.594 0.206 18547 10369 1 11 . 1 1 70 70 GLU HA H 60 3.870 3.870 4.163 -0.293 18547 10370 1 11 . 1 1 70 70 GLU C C 60 177.200 177.200 177.375 -0.175 18547 10371 1 11 . 1 1 70 70 GLU CA C 60 60.000 60.000 57.034 2.966 18547 10372 1 11 . 1 1 70 70 GLU CB C 60 30.200 30.200 28.676 1.524 18547 10373 1 11 . 1 1 70 70 GLU H H 60 9.130 9.130 8.388 0.742 18547 10374 1 11 . 1 1 71 71 GLY N N 61 117.100 117.100 115.055 2.045 18547 10375 1 11 . 1 1 71 71 GLY C C 61 174.900 174.900 174.365 0.535 18547 10376 1 11 . 1 1 71 71 GLY CA C 61 45.600 45.600 44.709 0.891 18547 10377 1 11 . 1 1 71 71 GLY H H 61 8.710 8.710 8.450 0.260 18547 10378 1 11 . 1 1 72 72 GLY N N 62 110.300 110.300 110.480 -0.180 18547 10379 1 11 . 1 1 72 72 GLY C C 62 174.200 174.200 172.646 1.554 18547 10380 1 11 . 1 1 72 72 GLY CA C 62 43.400 43.400 43.431 -0.031 18547 10381 1 11 . 1 1 72 72 GLY H H 62 8.760 8.760 7.973 0.787 18547 10382 1 11 . 1 1 73 73 ASN N N 63 117.800 117.800 117.386 0.414 18547 10383 1 11 . 1 1 73 73 ASN HA H 63 5.490 5.490 4.985 0.505 18547 10384 1 11 . 1 1 73 73 ASN C C 63 171.400 171.400 173.926 -2.526 18547 10385 1 11 . 1 1 73 73 ASN CA C 63 52.900 52.900 51.886 1.014 18547 10386 1 11 . 1 1 73 73 ASN CB C 63 41.500 41.500 41.621 -0.121 18547 10387 1 11 . 1 1 73 73 ASN H H 63 8.890 8.890 8.186 0.704 18547 10388 1 11 . 1 1 74 74 PHE N N 64 113.500 113.500 116.489 -2.989 18547 10389 1 11 . 1 1 74 74 PHE HA H 64 5.500 5.500 5.784 -0.284 18547 10390 1 11 . 1 1 74 74 PHE C C 64 173.200 173.200 173.973 -0.773 18547 10391 1 11 . 1 1 74 74 PHE CA C 64 55.900 55.900 55.256 0.644 18547 10392 1 11 . 1 1 74 74 PHE CB C 64 44.600 44.600 42.017 2.583 18547 10393 1 11 . 1 1 74 74 PHE H H 64 8.700 8.700 8.525 0.175 18547 10394 1 11 . 1 1 75 75 ALA N N 65 122.200 122.200 119.563 2.637 18547 10395 1 11 . 1 1 75 75 ALA HA H 65 4.350 4.350 4.379 -0.029 18547 10396 1 11 . 1 1 75 75 ALA C C 65 176.000 176.000 174.759 1.241 18547 10397 1 11 . 1 1 75 75 ALA CA C 65 52.500 52.500 51.917 0.583 18547 10398 1 11 . 1 1 75 75 ALA CB C 65 21.800 21.800 21.618 0.182 18547 10399 1 11 . 1 1 75 75 ALA H H 65 8.690 8.690 8.118 0.572 18547 10400 1 11 . 1 1 76 76 LEU N N 66 123.800 123.800 121.687 2.113 18547 10401 1 11 . 1 1 76 76 LEU HA H 66 4.520 4.520 4.752 -0.232 18547 10402 1 11 . 1 1 76 76 LEU C C 66 175.800 175.800 177.095 -1.295 18547 10403 1 11 . 1 1 76 76 LEU CA C 66 52.500 52.500 53.542 -1.042 18547 10404 1 11 . 1 1 76 76 LEU CB C 66 42.400 42.400 44.337 -1.937 18547 10405 1 11 . 1 1 76 76 LEU H H 66 8.350 8.350 8.366 -0.016 18547 10406 1 11 . 1 1 77 77 GLN N N 67 127.400 127.400 118.683 8.717 18547 10407 1 11 . 1 1 77 77 GLN HA H 67 3.900 3.900 4.158 -0.258 18547 10408 1 11 . 1 1 77 77 GLN C C 67 176.600 176.600 176.577 0.023 18547 10409 1 11 . 1 1 77 77 GLN CA C 67 57.800 57.800 57.490 0.310 18547 10410 1 11 . 1 1 77 77 GLN CB C 67 28.000 28.000 29.109 -1.109 18547 10411 1 11 . 1 1 77 77 GLN H H 67 8.590 8.590 8.531 0.059 18547 10412 1 11 . 1 1 78 78 GLY N N 68 114.800 114.800 105.034 9.766 18547 10413 1 11 . 1 1 78 78 GLY C C 68 173.700 173.700 173.409 0.291 18547 10414 1 11 . 1 1 78 78 GLY CA C 68 45.700 45.700 45.086 0.614 18547 10415 1 11 . 1 1 78 78 GLY H H 68 8.920 8.920 8.054 0.866 18547 10416 1 11 . 1 1 79 79 ASN N N 69 124.000 124.000 119.430 4.570 18547 10417 1 11 . 1 1 79 79 ASN HA H 69 4.600 4.600 4.915 -0.315 18547 10418 1 11 . 1 1 79 79 ASN C C 69 173.300 173.300 173.872 -0.572 18547 10419 1 11 . 1 1 79 79 ASN CA C 69 52.900 52.900 52.079 0.821 18547 10420 1 11 . 1 1 79 79 ASN CB C 69 41.600 41.600 39.112 2.488 18547 10421 1 11 . 1 1 79 79 ASN H H 69 8.360 8.360 7.912 0.448 18547 10422 1 11 . 1 1 80 80 ALA N N 70 127.200 127.200 119.370 7.830 18547 10423 1 11 . 1 1 80 80 ALA HA H 70 4.170 4.170 3.708 0.462 18547 10424 1 11 . 1 1 80 80 ALA C C 70 174.500 174.500 175.362 -0.862 18547 10425 1 11 . 1 1 80 80 ALA CA C 70 52.500 52.500 52.457 0.043 18547 10426 1 11 . 1 1 80 80 ALA CB C 70 18.600 18.600 18.295 0.305 18547 10427 1 11 . 1 1 80 80 ALA H H 70 8.930 8.930 7.658 1.272 18547 10428 1 11 . 1 1 81 81 SER N N 71 111.000 111.000 113.305 -2.305 18547 10429 1 11 . 1 1 81 81 SER HA H 71 4.170 4.170 4.270 -0.100 18547 10430 1 11 . 1 1 81 81 SER C C 71 170.900 170.900 172.737 -1.837 18547 10431 1 11 . 1 1 81 81 SER CA C 71 56.300 56.300 57.139 -0.839 18547 10432 1 11 . 1 1 81 81 SER CB C 71 66.600 66.600 65.718 0.882 18547 10433 1 11 . 1 1 81 81 SER H H 71 7.980 7.980 7.749 0.231 18547 10434 1 11 . 1 1 82 82 GLY N N 72 102.700 102.700 107.964 -5.264 18547 10435 1 11 . 1 1 82 82 GLY C C 72 171.700 171.700 171.210 0.490 18547 10436 1 11 . 1 1 82 82 GLY CA C 72 46.200 46.200 44.581 1.619 18547 10437 1 11 . 1 1 82 82 GLY H H 72 6.940 6.940 7.011 -0.071 18547 10438 1 11 . 1 1 83 83 ASP N N 73 117.900 117.900 118.197 -0.297 18547 10439 1 11 . 1 1 83 83 ASP HA H 73 5.430 5.430 4.889 0.541 18547 10440 1 11 . 1 1 83 83 ASP C C 73 176.100 176.100 175.065 1.035 18547 10441 1 11 . 1 1 83 83 ASP CA C 73 52.700 52.700 52.488 0.212 18547 10442 1 11 . 1 1 83 83 ASP CB C 73 43.600 43.600 44.030 -0.430 18547 10443 1 11 . 1 1 83 83 ASP H H 73 8.770 8.770 8.155 0.615 18547 10444 1 11 . 1 1 84 84 ILE N N 74 120.200 120.200 122.437 -2.237 18547 10445 1 11 . 1 1 84 84 ILE HA H 74 4.530 4.530 4.291 0.239 18547 10446 1 11 . 1 1 84 84 ILE C C 74 175.600 175.600 176.222 -0.622 18547 10447 1 11 . 1 1 84 84 ILE CA C 74 61.700 61.700 60.760 0.940 18547 10448 1 11 . 1 1 84 84 ILE CB C 74 36.700 36.700 37.221 -0.521 18547 10449 1 11 . 1 1 84 84 ILE H H 74 8.060 8.060 8.139 -0.079 18547 10450 1 11 . 1 1 85 85 LEU N N 75 130.400 130.400 129.768 0.632 18547 10451 1 11 . 1 1 85 85 LEU HA H 75 4.330 4.330 4.300 0.030 18547 10452 1 11 . 1 1 85 85 LEU C C 75 178.100 178.100 177.719 0.381 18547 10453 1 11 . 1 1 85 85 LEU CA C 75 57.000 57.000 56.905 0.095 18547 10454 1 11 . 1 1 85 85 LEU CB C 75 42.000 42.000 42.578 -0.578 18547 10455 1 11 . 1 1 85 85 LEU H H 75 8.710 8.710 8.262 0.448 18547 10456 1 11 . 1 1 86 86 ARG N N 76 115.700 115.700 116.877 -1.177 18547 10457 1 11 . 1 1 86 86 ARG HA H 76 4.840 4.840 4.594 0.246 18547 10458 1 11 . 1 1 86 86 ARG C C 76 174.900 174.900 173.722 1.178 18547 10459 1 11 . 1 1 86 86 ARG CA C 76 54.700 54.700 55.722 -1.022 18547 10460 1 11 . 1 1 86 86 ARG CB C 76 33.900 33.900 33.253 0.647 18547 10461 1 11 . 1 1 86 86 ARG H H 76 8.130 8.130 8.111 0.019 18547 10462 1 11 . 1 1 87 87 CYS N N 77 127.100 127.100 123.236 3.864 18547 10463 1 11 . 1 1 87 87 CYS HA H 77 5.130 5.130 5.390 -0.260 18547 10464 1 11 . 1 1 87 87 CYS C C 77 171.700 171.700 174.048 -2.348 18547 10465 1 11 . 1 1 87 87 CYS CA C 77 54.600 54.600 57.191 -2.591 18547 10466 1 11 . 1 1 87 87 CYS CB C 77 33.000 33.000 31.064 1.936 18547 10467 1 11 . 1 1 87 87 CYS H H 77 10.630 10.630 8.952 1.678 18547 10468 1 11 . 1 1 88 88 GLU N N 78 128.200 128.200 123.262 4.938 18547 10469 1 11 . 1 1 88 88 GLU HA H 78 4.950 4.950 4.779 0.171 18547 10470 1 11 . 1 1 88 88 GLU CA C 78 52.100 52.100 53.119 -1.019 18547 10471 1 11 . 1 1 88 88 GLU CB C 78 30.500 30.500 31.231 -0.731 18547 10472 1 11 . 1 1 88 88 GLU H H 78 9.460 9.460 9.116 0.344 18547 10473 1 11 . 1 1 89 89 PRO HA H 79 2.780 2.780 3.392 -0.612 18547 10474 1 11 . 1 1 89 89 PRO CA C 79 60.500 60.500 60.643 -0.143 18547 10475 1 11 . 1 1 89 89 PRO CB C 79 31.600 31.600 31.181 0.419 18547 10476 1 11 . 1 1 90 90 PRO HA H 80 2.250 2.250 3.063 -0.813 18547 10477 1 11 . 1 1 90 90 PRO C C 80 171.400 171.400 175.861 -4.461 18547 10478 1 11 . 1 1 90 90 PRO CA C 80 63.700 63.700 61.259 2.441 18547 10479 1 11 . 1 1 90 90 PRO CB C 80 30.500 30.500 31.568 -1.068 18547 10480 1 11 . 1 1 91 91 ARG N N 81 113.700 113.700 118.394 -4.694 18547 10481 1 11 . 1 1 91 91 ARG HA H 81 4.700 4.700 4.126 0.574 18547 10482 1 11 . 1 1 91 91 ARG C C 81 176.500 176.500 175.976 0.524 18547 10483 1 11 . 1 1 91 91 ARG CA C 81 57.400 57.400 58.570 -1.170 18547 10484 1 11 . 1 1 91 91 ARG CB C 81 34.200 34.200 31.155 3.045 18547 10485 1 11 . 1 1 91 91 ARG H H 81 7.640 7.640 7.679 -0.039 18547 10486 1 11 . 1 1 92 92 ARG N N 82 121.000 121.000 114.850 6.150 18547 10487 1 11 . 1 1 92 92 ARG HA H 82 5.700 5.700 5.143 0.557 18547 10488 1 11 . 1 1 92 92 ARG C C 82 172.700 172.700 173.975 -1.275 18547 10489 1 11 . 1 1 92 92 ARG CA C 82 55.900 55.900 55.058 0.842 18547 10490 1 11 . 1 1 92 92 ARG CB C 82 34.100 34.100 34.252 -0.152 18547 10491 1 11 . 1 1 92 92 ARG H H 82 7.710 7.710 7.782 -0.072 18547 10492 1 11 . 1 1 93 93 LEU N N 83 130.800 130.800 117.590 13.210 18547 10493 1 11 . 1 1 93 93 LEU HA H 83 5.250 5.250 5.370 -0.120 18547 10494 1 11 . 1 1 93 93 LEU C C 83 174.000 174.000 174.780 -0.780 18547 10495 1 11 . 1 1 93 93 LEU CA C 83 53.700 53.700 53.969 -0.269 18547 10496 1 11 . 1 1 93 93 LEU CB C 83 47.100 47.100 45.336 1.764 18547 10497 1 11 . 1 1 93 93 LEU H H 83 9.080 9.080 9.010 0.070 18547 10498 1 11 . 1 1 94 94 THR N N 84 124.200 124.200 120.097 4.103 18547 10499 1 11 . 1 1 94 94 THR HA H 84 5.340 5.340 4.952 0.388 18547 10500 1 11 . 1 1 94 94 THR C C 84 174.100 174.100 173.643 0.457 18547 10501 1 11 . 1 1 94 94 THR CA C 84 62.700 62.700 62.230 0.470 18547 10502 1 11 . 1 1 94 94 THR CB C 84 69.600 69.600 69.891 -0.291 18547 10503 1 11 . 1 1 94 94 THR H H 84 9.310 9.310 8.757 0.553 18547 10504 1 11 . 1 1 95 95 ILE N N 85 121.600 121.600 123.145 -1.545 18547 10505 1 11 . 1 1 95 95 ILE HA H 85 5.630 5.630 5.186 0.444 18547 10506 1 11 . 1 1 95 95 ILE C C 85 175.000 175.000 174.127 0.873 18547 10507 1 11 . 1 1 95 95 ILE CA C 85 59.300 59.300 58.881 0.419 18547 10508 1 11 . 1 1 95 95 ILE CB C 85 40.900 40.900 41.622 -0.722 18547 10509 1 11 . 1 1 95 95 ILE H H 85 9.700 9.700 8.895 0.805 18547 10510 1 11 . 1 1 96 96 SER N N 86 117.900 117.900 117.637 0.263 18547 10511 1 11 . 1 1 96 96 SER HA H 86 5.270 5.270 4.793 0.477 18547 10512 1 11 . 1 1 96 96 SER C C 86 172.200 172.200 174.095 -1.895 18547 10513 1 11 . 1 1 96 96 SER CA C 86 57.600 57.600 57.756 -0.156 18547 10514 1 11 . 1 1 96 96 SER CB C 86 65.700 65.700 65.039 0.661 18547 10515 1 11 . 1 1 96 96 SER H H 86 9.290 9.290 8.810 0.480 18547 10516 1 11 . 1 1 97 97 TRP N N 87 120.000 120.000 121.851 -1.851 18547 10517 1 11 . 1 1 97 97 TRP HA H 87 5.130 5.130 4.978 0.152 18547 10518 1 11 . 1 1 97 97 TRP C C 87 175.500 175.500 173.717 1.783 18547 10519 1 11 . 1 1 97 97 TRP CA C 87 57.900 57.900 57.576 0.324 18547 10520 1 11 . 1 1 97 97 TRP CB C 87 31.500 31.500 33.212 -1.712 18547 10521 1 11 . 1 1 97 97 TRP H H 87 7.790 7.790 8.536 -0.746 18547 10522 1 11 . 1 1 98 98 VAL N N 88 132.200 132.200 128.523 3.677 18547 10523 1 11 . 1 1 98 98 VAL HA H 88 4.460 4.460 4.416 0.044 18547 10524 1 11 . 1 1 98 98 VAL C C 88 175.100 175.100 174.000 1.100 18547 10525 1 11 . 1 1 98 98 VAL CA C 88 62.000 62.000 61.135 0.865 18547 10526 1 11 . 1 1 98 98 VAL CB C 88 32.500 32.500 32.173 0.327 18547 10527 1 11 . 1 1 98 98 VAL H H 88 9.620 9.620 8.109 1.511 18547 10528 1 11 . 1 1 99 99 TYR N N 89 130.300 130.300 129.015 1.285 18547 10529 1 11 . 1 1 99 99 TYR HA H 89 4.440 4.440 4.556 -0.116 18547 10530 1 11 . 1 1 99 99 TYR C C 89 173.900 173.900 175.202 -1.302 18547 10531 1 11 . 1 1 99 99 TYR CA C 89 56.800 56.800 56.225 0.575 18547 10532 1 11 . 1 1 99 99 TYR CB C 89 42.100 42.100 41.252 0.848 18547 10533 1 11 . 1 1 99 99 TYR H H 89 9.670 9.670 8.775 0.895 18547 10534 1 11 . 1 1 100 100 GLU N N 90 127.100 127.100 124.360 2.740 18547 10535 1 11 . 1 1 100 100 GLU HA H 90 3.940 3.940 4.023 -0.083 18547 10536 1 11 . 1 1 100 100 GLU C C 90 176.700 176.700 177.163 -0.463 18547 10537 1 11 . 1 1 100 100 GLU CA C 90 58.300 58.300 57.911 0.389 18547 10538 1 11 . 1 1 100 100 GLU CB C 90 29.200 29.200 28.592 0.608 18547 10539 1 11 . 1 1 100 100 GLU H H 90 8.080 8.080 8.249 -0.169 18547 10540 1 11 . 1 1 101 101 GLY N N 91 113.100 113.100 113.267 -0.167 18547 10541 1 11 . 1 1 101 101 GLY C C 91 173.900 173.900 174.275 -0.375 18547 10542 1 11 . 1 1 101 101 GLY CA C 91 45.200 45.200 45.395 -0.195 18547 10543 1 11 . 1 1 101 101 GLY H H 91 8.850 8.850 8.700 0.150 18547 10544 1 11 . 1 1 102 102 LYS N N 92 120.100 120.100 121.224 -1.124 18547 10545 1 11 . 1 1 102 102 LYS HA H 92 4.990 4.990 4.887 0.103 18547 10546 1 11 . 1 1 102 102 LYS CA C 92 52.500 52.500 53.090 -0.590 18547 10547 1 11 . 1 1 102 102 LYS CB C 92 33.200 33.200 32.369 0.831 18547 10548 1 11 . 1 1 102 102 LYS H H 92 8.270 8.270 7.763 0.507 18547 10549 1 11 . 1 1 103 103 PRO HA H 93 4.620 4.620 4.420 0.200 18547 10550 1 11 . 1 1 103 103 PRO C C 93 176.700 176.700 176.422 0.278 18547 10551 1 11 . 1 1 103 103 PRO CA C 93 62.400 62.400 64.115 -1.715 18547 10552 1 11 . 1 1 103 103 PRO CB C 93 31.400 31.400 32.444 -1.044 18547 10553 1 11 . 1 1 104 104 ASP N N 94 124.500 124.500 116.361 8.139 18547 10554 1 11 . 1 1 104 104 ASP HA H 94 4.860 4.860 4.806 0.054 18547 10555 1 11 . 1 1 104 104 ASP C C 94 177.100 177.100 173.717 3.383 18547 10556 1 11 . 1 1 104 104 ASP CA C 94 55.900 55.900 54.813 1.087 18547 10557 1 11 . 1 1 104 104 ASP CB C 94 40.500 40.500 42.674 -2.174 18547 10558 1 11 . 1 1 104 104 ASP H H 94 8.850 8.850 7.973 0.877 18547 10559 1 11 . 1 1 105 105 SER N N 95 118.600 118.600 115.483 3.117 18547 10560 1 11 . 1 1 105 105 SER HA H 95 5.280 5.280 5.294 -0.014 18547 10561 1 11 . 1 1 105 105 SER C C 95 173.700 173.700 172.248 1.452 18547 10562 1 11 . 1 1 105 105 SER CA C 95 57.900 57.900 57.304 0.596 18547 10563 1 11 . 1 1 105 105 SER CB C 95 65.600 65.600 66.508 -0.909 18547 10564 1 11 . 1 1 105 105 SER H H 95 9.260 9.260 8.318 0.942 18547 10565 1 11 . 1 1 106 106 GLU N N 96 124.100 124.100 124.605 -0.505 18547 10566 1 11 . 1 1 106 106 GLU HA H 96 5.180 5.180 4.824 0.356 18547 10567 1 11 . 1 1 106 106 GLU C C 96 172.400 172.400 174.441 -2.041 18547 10568 1 11 . 1 1 106 106 GLU CA C 96 57.200 57.200 55.892 1.308 18547 10569 1 11 . 1 1 106 106 GLU CB C 96 36.100 36.100 33.605 2.495 18547 10570 1 11 . 1 1 106 106 GLU H H 96 8.620 8.620 8.708 -0.088 18547 10571 1 11 . 1 1 107 107 VAL N N 97 128.100 128.100 126.383 1.717 18547 10572 1 11 . 1 1 107 107 VAL HA H 97 4.770 4.770 4.390 0.380 18547 10573 1 11 . 1 1 107 107 VAL C C 97 173.100 173.100 174.755 -1.655 18547 10574 1 11 . 1 1 107 107 VAL CA C 97 60.100 60.100 61.330 -1.230 18547 10575 1 11 . 1 1 107 107 VAL CB C 97 34.200 34.200 33.165 1.035 18547 10576 1 11 . 1 1 107 107 VAL H H 97 9.180 9.180 8.520 0.660 18547 10577 1 11 . 1 1 108 108 GLU N N 98 126.200 126.200 123.218 2.982 18547 10578 1 11 . 1 1 108 108 GLU HA H 98 5.580 5.580 5.157 0.423 18547 10579 1 11 . 1 1 108 108 GLU C C 98 172.100 172.100 174.302 -2.202 18547 10580 1 11 . 1 1 108 108 GLU CA C 98 54.200 54.200 54.459 -0.259 18547 10581 1 11 . 1 1 108 108 GLU CB C 98 35.200 35.200 33.807 1.393 18547 10582 1 11 . 1 1 108 108 GLU H H 98 9.300 9.300 8.697 0.603 18547 10583 1 11 . 1 1 109 109 LEU N N 99 128.600 128.600 121.292 7.308 18547 10584 1 11 . 1 1 109 109 LEU HA H 99 5.080 5.080 5.166 -0.086 18547 10585 1 11 . 1 1 109 109 LEU C C 99 175.100 175.100 174.658 0.442 18547 10586 1 11 . 1 1 109 109 LEU CA C 99 52.700 52.700 54.221 -1.521 18547 10587 1 11 . 1 1 109 109 LEU CB C 99 46.400 46.400 46.033 0.367 18547 10588 1 11 . 1 1 109 109 LEU H H 99 9.330 9.330 8.709 0.621 18547 10589 1 11 . 1 1 110 110 ARG N N 100 124.700 124.700 123.378 1.322 18547 10590 1 11 . 1 1 110 110 ARG HA H 100 5.390 5.390 4.792 0.598 18547 10591 1 11 . 1 1 110 110 ARG C C 100 175.400 175.400 174.568 0.832 18547 10592 1 11 . 1 1 110 110 ARG CA C 100 54.600 54.600 55.005 -0.406 18547 10593 1 11 . 1 1 110 110 ARG CB C 100 34.100 34.100 34.388 -0.288 18547 10594 1 11 . 1 1 110 110 ARG H H 100 9.430 9.430 8.487 0.943 18547 10595 1 11 . 1 1 111 111 LEU N N 101 122.900 122.900 124.381 -1.481 18547 10596 1 11 . 1 1 111 111 LEU HA H 101 5.620 5.620 5.677 -0.057 18547 10597 1 11 . 1 1 111 111 LEU C C 101 177.100 177.100 175.495 1.605 18547 10598 1 11 . 1 1 111 111 LEU CA C 101 53.000 53.000 53.568 -0.568 18547 10599 1 11 . 1 1 111 111 LEU CB C 101 44.900 44.900 45.075 -0.175 18547 10600 1 11 . 1 1 111 111 LEU H H 101 9.120 9.120 8.766 0.354 18547 10601 1 11 . 1 1 112 112 SER N N 102 113.800 113.800 116.437 -2.637 18547 10602 1 11 . 1 1 112 112 SER HA H 102 4.690 4.690 4.680 0.010 18547 10603 1 11 . 1 1 112 112 SER C C 102 172.700 172.700 172.624 0.076 18547 10604 1 11 . 1 1 112 112 SER CA C 102 57.000 57.000 56.576 0.424 18547 10605 1 11 . 1 1 112 112 SER CB C 102 65.700 65.700 65.939 -0.239 18547 10606 1 11 . 1 1 112 112 SER H H 102 8.770 8.770 8.575 0.195 18547 10607 1 11 . 1 1 113 113 GLU N N 103 123.400 123.400 121.724 1.676 18547 10608 1 11 . 1 1 113 113 GLU HA H 103 4.440 4.440 4.630 -0.190 18547 10609 1 11 . 1 1 113 113 GLU C C 103 176.600 176.600 175.598 1.002 18547 10610 1 11 . 1 1 113 113 GLU CA C 103 57.500 57.500 55.508 1.992 18547 10611 1 11 . 1 1 113 113 GLU CB C 103 30.200 30.200 31.279 -1.079 18547 10612 1 11 . 1 1 113 113 GLU H H 103 9.200 9.200 8.485 0.715 18547 10613 1 11 . 1 1 114 114 GLU N N 104 126.500 126.500 126.623 -0.123 18547 10614 1 11 . 1 1 114 114 GLU HA H 104 4.450 4.450 4.620 -0.170 18547 10615 1 11 . 1 1 114 114 GLU C C 104 175.600 175.600 176.398 -0.798 18547 10616 1 11 . 1 1 114 114 GLU CA C 104 55.700 55.700 55.598 0.102 18547 10617 1 11 . 1 1 114 114 GLU CB C 104 31.300 31.300 32.258 -0.958 18547 10618 1 11 . 1 1 114 114 GLU H H 104 8.110 8.110 8.459 -0.349 18547 10619 1 11 . 1 1 115 115 GLY N N 105 118.000 118.000 115.872 2.128 18547 10620 1 11 . 1 1 115 115 GLY C C 105 174.700 174.700 174.487 0.213 18547 10621 1 11 . 1 1 115 115 GLY CA C 105 47.100 47.100 47.144 -0.044 18547 10622 1 11 . 1 1 115 115 GLY H H 105 9.030 9.030 8.980 0.050 18547 10623 1 11 . 1 1 116 116 ASP N N 106 126.200 126.200 126.053 0.147 18547 10624 1 11 . 1 1 116 116 ASP HA H 106 4.750 4.750 4.875 -0.125 18547 10625 1 11 . 1 1 116 116 ASP C C 106 175.600 175.600 175.651 -0.051 18547 10626 1 11 . 1 1 116 116 ASP CA C 106 54.300 54.300 53.787 0.513 18547 10627 1 11 . 1 1 116 116 ASP CB C 106 40.800 40.800 42.201 -1.401 18547 10628 1 11 . 1 1 116 116 ASP H H 106 8.800 8.800 8.650 0.150 18547 10629 1 11 . 1 1 117 117 GLY N N 107 109.500 109.500 107.483 2.017 18547 10630 1 11 . 1 1 117 117 GLY C C 107 174.400 174.400 172.519 1.881 18547 10631 1 11 . 1 1 117 117 GLY CA C 107 44.800 44.800 44.771 0.029 18547 10632 1 11 . 1 1 117 117 GLY H H 107 8.040 8.040 7.982 0.058 18547 10633 1 11 . 1 1 118 118 THR N N 108 120.400 120.400 114.957 5.443 18547 10634 1 11 . 1 1 118 118 THR HA H 108 4.970 4.970 5.098 -0.128 18547 10635 1 11 . 1 1 118 118 THR C C 108 173.000 173.000 172.754 0.246 18547 10636 1 11 . 1 1 118 118 THR CA C 108 63.500 63.500 62.231 1.269 18547 10637 1 11 . 1 1 118 118 THR CB C 108 73.000 73.000 72.702 0.298 18547 10638 1 11 . 1 1 118 118 THR H H 108 9.010 9.010 8.475 0.535 18547 10639 1 11 . 1 1 119 119 LEU N N 109 129.000 129.000 127.579 1.421 18547 10640 1 11 . 1 1 119 119 LEU HA H 109 4.790 4.790 5.292 -0.502 18547 10641 1 11 . 1 1 119 119 LEU C C 109 173.500 173.500 174.717 -1.217 18547 10642 1 11 . 1 1 119 119 LEU CA C 109 54.300 54.300 53.424 0.876 18547 10643 1 11 . 1 1 119 119 LEU CB C 109 42.900 42.900 44.414 -1.514 18547 10644 1 11 . 1 1 119 119 LEU H H 109 9.410 9.410 8.482 0.928 18547 10645 1 11 . 1 1 120 120 LEU N N 110 132.200 132.200 127.930 4.270 18547 10646 1 11 . 1 1 120 120 LEU HA H 110 4.820 4.820 5.386 -0.566 18547 10647 1 11 . 1 1 120 120 LEU C C 110 174.100 174.100 174.852 -0.752 18547 10648 1 11 . 1 1 120 120 LEU CA C 110 54.900 54.900 53.424 1.476 18547 10649 1 11 . 1 1 120 120 LEU CB C 110 45.300 45.300 44.931 0.369 18547 10650 1 11 . 1 1 120 120 LEU H H 110 9.430 9.430 8.777 0.653 18547 10651 1 11 . 1 1 121 121 GLU N N 111 125.800 125.800 126.274 -0.474 18547 10652 1 11 . 1 1 121 121 GLU HA H 111 5.530 5.530 4.826 0.704 18547 10653 1 11 . 1 1 121 121 GLU C C 111 173.500 173.500 174.931 -1.431 18547 10654 1 11 . 1 1 121 121 GLU CA C 111 54.500 54.500 54.891 -0.391 18547 10655 1 11 . 1 1 121 121 GLU CB C 111 33.100 33.100 31.049 2.051 18547 10656 1 11 . 1 1 121 121 GLU H H 111 8.970 8.970 8.770 0.200 18547 10657 1 11 . 1 1 122 122 LEU N N 112 127.300 127.300 128.432 -1.132 18547 10658 1 11 . 1 1 122 122 LEU HA H 112 5.030 5.030 4.862 0.168 18547 10659 1 11 . 1 1 122 122 LEU C C 112 173.700 173.700 174.630 -0.930 18547 10660 1 11 . 1 1 122 122 LEU CA C 112 53.200 53.200 53.608 -0.408 18547 10661 1 11 . 1 1 122 122 LEU CB C 112 45.400 45.400 43.938 1.462 18547 10662 1 11 . 1 1 122 122 LEU H H 112 8.950 8.950 8.659 0.291 18547 10663 1 11 . 1 1 123 123 GLU N N 113 127.900 127.900 129.018 -1.118 18547 10664 1 11 . 1 1 123 123 GLU HA H 113 5.750 5.750 5.116 0.634 18547 10665 1 11 . 1 1 123 123 GLU C C 113 174.200 174.200 174.656 -0.456 18547 10666 1 11 . 1 1 123 123 GLU CA C 113 52.900 52.900 54.253 -1.353 18547 10667 1 11 . 1 1 123 123 GLU CB C 113 33.300 33.300 31.957 1.343 18547 10668 1 11 . 1 1 123 123 GLU H H 113 9.350 9.350 8.562 0.788 18547 10669 1 11 . 1 1 124 124 HIS N N 114 128.200 128.200 127.413 0.787 18547 10670 1 11 . 1 1 124 124 HIS HA H 114 5.240 5.240 5.075 0.165 18547 10671 1 11 . 1 1 124 124 HIS C C 114 173.900 173.900 172.904 0.996 18547 10672 1 11 . 1 1 124 124 HIS CA C 114 54.300 54.300 53.734 0.566 18547 10673 1 11 . 1 1 124 124 HIS CB C 114 34.600 34.600 33.034 1.566 18547 10674 1 11 . 1 1 124 124 HIS H H 114 8.770 8.770 8.307 0.463 18547 10675 1 11 . 1 1 125 125 ALA N N 115 128.600 128.600 130.291 -1.691 18547 10676 1 11 . 1 1 125 125 ALA HA H 115 5.150 5.150 5.552 -0.402 18547 10677 1 11 . 1 1 125 125 ALA C C 115 175.400 175.400 175.671 -0.271 18547 10678 1 11 . 1 1 125 125 ALA CA C 115 50.100 50.100 50.282 -0.182 18547 10679 1 11 . 1 1 125 125 ALA CB C 115 22.500 22.500 22.036 0.464 18547 10680 1 11 . 1 1 125 125 ALA H H 115 9.360 9.360 8.951 0.409 18547 10681 1 11 . 1 1 126 126 THR N N 116 115.800 115.800 118.155 -2.355 18547 10682 1 11 . 1 1 126 126 THR HA H 116 4.960 4.960 4.910 0.050 18547 10683 1 11 . 1 1 126 126 THR C C 116 172.200 172.200 175.363 -3.163 18547 10684 1 11 . 1 1 126 126 THR CA C 116 58.800 58.800 59.768 -0.968 18547 10685 1 11 . 1 1 126 126 THR CB C 116 69.200 69.200 70.575 -1.375 18547 10686 1 11 . 1 1 126 126 THR H H 116 8.760 8.760 8.665 0.095 18547 10687 1 11 . 1 1 127 127 THR N N 117 116.000 116.000 116.630 -0.630 18547 10688 1 11 . 1 1 127 127 THR HA H 117 4.390 4.390 4.371 0.019 18547 10689 1 11 . 1 1 127 127 THR C C 117 174.400 174.400 174.342 0.058 18547 10690 1 11 . 1 1 127 127 THR CA C 117 62.900 62.900 63.052 -0.152 18547 10691 1 11 . 1 1 127 127 THR CB C 117 68.800 68.800 68.656 0.144 18547 10692 1 11 . 1 1 127 127 THR H H 117 8.460 8.460 8.782 -0.322 18547 10693 1 11 . 1 1 128 128 SER N N 118 116.400 116.400 118.024 -1.624 18547 10694 1 11 . 1 1 128 128 SER HA H 118 4.890 4.890 4.701 0.189 18547 10695 1 11 . 1 1 128 128 SER C C 118 174.700 174.700 174.291 0.409 18547 10696 1 11 . 1 1 128 128 SER CA C 118 55.400 55.400 56.856 -1.456 18547 10697 1 11 . 1 1 128 128 SER CB C 118 63.000 63.000 65.316 -2.316 18547 10698 1 11 . 1 1 128 128 SER H H 118 7.730 7.730 7.409 0.321 18547 10699 1 11 . 1 1 129 129 GLU N N 119 130.300 130.300 126.837 3.463 18547 10700 1 11 . 1 1 129 129 GLU HA H 119 3.940 3.940 3.963 -0.023 18547 10701 1 11 . 1 1 129 129 GLU C C 119 178.400 178.400 178.388 0.012 18547 10702 1 11 . 1 1 129 129 GLU CA C 119 59.900 59.900 60.347 -0.447 18547 10703 1 11 . 1 1 129 129 GLU CB C 119 29.700 29.700 29.585 0.115 18547 10704 1 11 . 1 1 129 129 GLU H H 119 9.000 9.000 9.134 -0.134 18547 10705 1 11 . 1 1 130 130 GLN N N 120 117.300 117.300 117.327 -0.027 18547 10706 1 11 . 1 1 130 130 GLN HA H 120 4.120 4.120 3.982 0.138 18547 10707 1 11 . 1 1 130 130 GLN C C 120 177.900 177.900 177.858 0.042 18547 10708 1 11 . 1 1 130 130 GLN CA C 120 58.400 58.400 58.883 -0.483 18547 10709 1 11 . 1 1 130 130 GLN CB C 120 28.000 28.000 28.287 -0.287 18547 10710 1 11 . 1 1 130 130 GLN H H 120 8.410 8.410 8.593 -0.183 18547 10711 1 11 . 1 1 131 131 MET N N 121 118.300 118.300 119.985 -1.685 18547 10712 1 11 . 1 1 131 131 MET HA H 121 4.240 4.240 3.991 0.249 18547 10713 1 11 . 1 1 131 131 MET C C 121 176.400 176.400 177.818 -1.418 18547 10714 1 11 . 1 1 131 131 MET CA C 121 57.300 57.300 58.424 -1.124 18547 10715 1 11 . 1 1 131 131 MET CB C 121 32.400 32.400 32.011 0.389 18547 10716 1 11 . 1 1 131 131 MET H H 121 7.640 7.640 7.901 -0.261 18547 10717 1 11 . 1 1 132 132 LEU N N 122 118.700 118.700 118.730 -0.030 18547 10718 1 11 . 1 1 132 132 LEU HA H 122 3.630 3.630 3.671 -0.041 18547 10719 1 11 . 1 1 132 132 LEU C C 122 177.100 177.100 179.249 -2.149 18547 10720 1 11 . 1 1 132 132 LEU CA C 122 58.300 58.300 57.486 0.814 18547 10721 1 11 . 1 1 132 132 LEU CB C 122 41.900 41.900 41.559 0.341 18547 10722 1 11 . 1 1 132 132 LEU H H 122 7.470 7.470 7.587 -0.117 18547 10723 1 11 . 1 1 133 133 VAL N N 123 114.600 114.600 119.141 -4.541 18547 10724 1 11 . 1 1 133 133 VAL HA H 123 3.360 3.360 3.453 -0.093 18547 10725 1 11 . 1 1 133 133 VAL C C 123 176.700 176.700 177.782 -1.082 18547 10726 1 11 . 1 1 133 133 VAL CA C 123 66.600 66.600 66.763 -0.162 18547 10727 1 11 . 1 1 133 133 VAL CB C 123 31.800 31.800 31.448 0.352 18547 10728 1 11 . 1 1 133 133 VAL H H 123 7.040 7.040 7.418 -0.378 18547 10729 1 11 . 1 1 134 134 GLU N N 124 116.700 116.700 120.027 -3.327 18547 10730 1 11 . 1 1 134 134 GLU HA H 124 3.900 3.900 3.817 0.083 18547 10731 1 11 . 1 1 134 134 GLU C C 124 180.700 180.700 178.908 1.792 18547 10732 1 11 . 1 1 134 134 GLU CA C 124 59.300 59.300 59.738 -0.438 18547 10733 1 11 . 1 1 134 134 GLU CB C 124 29.900 29.900 29.731 0.169 18547 10734 1 11 . 1 1 134 134 GLU H H 124 7.200 7.200 8.271 -1.071 18547 10735 1 11 . 1 1 135 135 VAL N N 125 114.700 114.700 114.927 -0.227 18547 10736 1 11 . 1 1 135 135 VAL HA H 125 3.930 3.930 3.814 0.116 18547 10737 1 11 . 1 1 135 135 VAL C C 125 177.900 177.900 177.975 -0.075 18547 10738 1 11 . 1 1 135 135 VAL CA C 125 63.800 63.800 65.230 -1.430 18547 10739 1 11 . 1 1 135 135 VAL CB C 125 30.400 30.400 30.399 0.001 18547 10740 1 11 . 1 1 135 135 VAL H H 125 8.620 8.620 8.011 0.609 18547 10741 1 11 . 1 1 136 136 GLY N N 126 112.200 112.200 109.131 3.069 18547 10742 1 11 . 1 1 136 136 GLY C C 126 174.800 174.800 175.919 -1.119 18547 10743 1 11 . 1 1 136 136 GLY CA C 126 47.200 47.200 46.651 0.549 18547 10744 1 11 . 1 1 136 136 GLY H H 126 7.750 7.750 7.711 0.039 18547 10745 1 11 . 1 1 137 137 VAL N N 127 119.100 119.100 122.138 -3.038 18547 10746 1 11 . 1 1 137 137 VAL HA H 127 3.510 3.510 3.835 -0.325 18547 10747 1 11 . 1 1 137 137 VAL C C 127 179.100 179.100 178.064 1.036 18547 10748 1 11 . 1 1 137 137 VAL CA C 127 67.400 67.400 65.320 2.080 18547 10749 1 11 . 1 1 137 137 VAL CB C 127 32.500 32.500 31.784 0.716 18547 10750 1 11 . 1 1 137 137 VAL H H 127 7.680 7.680 7.713 -0.033 18547 10751 1 11 . 1 1 138 138 GLY N N 128 106.300 106.300 108.012 -1.712 18547 10752 1 11 . 1 1 138 138 GLY C C 128 177.900 177.900 175.834 2.066 18547 10753 1 11 . 1 1 138 138 GLY CA C 128 47.300 47.300 47.336 -0.036 18547 10754 1 11 . 1 1 138 138 GLY H H 128 8.210 8.210 8.194 0.016 18547 10755 1 11 . 1 1 139 139 TRP N N 129 122.500 122.500 121.509 0.991 18547 10756 1 11 . 1 1 139 139 TRP HA H 129 4.890 4.890 4.272 0.618 18547 10757 1 11 . 1 1 139 139 TRP C C 129 179.100 179.100 178.899 0.201 18547 10758 1 11 . 1 1 139 139 TRP CA C 129 59.800 59.800 59.827 -0.027 18547 10759 1 11 . 1 1 139 139 TRP CB C 129 30.100 30.100 29.327 0.773 18547 10760 1 11 . 1 1 139 139 TRP H H 129 8.880 8.880 8.037 0.843 18547 10761 1 11 . 1 1 140 140 GLU N N 130 119.000 119.000 118.149 0.851 18547 10762 1 11 . 1 1 140 140 GLU HA H 130 4.020 4.020 4.038 -0.018 18547 10763 1 11 . 1 1 140 140 GLU C C 130 179.300 179.300 178.886 0.414 18547 10764 1 11 . 1 1 140 140 GLU CA C 130 62.900 62.900 59.333 3.567 18547 10765 1 11 . 1 1 140 140 GLU CB C 130 30.600 30.600 29.503 1.097 18547 10766 1 11 . 1 1 140 140 GLU H H 130 8.210 8.210 7.848 0.362 18547 10767 1 11 . 1 1 141 141 MET N N 131 117.100 117.100 118.595 -1.495 18547 10768 1 11 . 1 1 141 141 MET HA H 131 4.330 4.330 4.084 0.246 18547 10769 1 11 . 1 1 141 141 MET C C 131 178.500 178.500 178.203 0.297 18547 10770 1 11 . 1 1 141 141 MET CA C 131 57.700 57.700 58.823 -1.123 18547 10771 1 11 . 1 1 141 141 MET CB C 131 30.600 30.600 32.785 -2.185 18547 10772 1 11 . 1 1 141 141 MET H H 131 8.210 8.210 8.193 0.017 18547 10773 1 11 . 1 1 142 142 ALA N N 132 121.400 121.400 124.297 -2.897 18547 10774 1 11 . 1 1 142 142 ALA HA H 132 4.720 4.720 4.835 -0.115 18547 10775 1 11 . 1 1 142 142 ALA C C 132 180.900 180.900 180.127 0.773 18547 10776 1 11 . 1 1 142 142 ALA CA C 132 55.700 55.700 55.340 0.360 18547 10777 1 11 . 1 1 142 142 ALA CB C 132 18.200 18.200 18.959 -0.759 18547 10778 1 11 . 1 1 142 142 ALA H H 132 7.910 7.910 8.292 -0.382 18547 10779 1 11 . 1 1 143 143 LEU N N 133 117.200 117.200 117.937 -0.737 18547 10780 1 11 . 1 1 143 143 LEU HA H 133 4.150 4.150 3.860 0.290 18547 10781 1 11 . 1 1 143 143 LEU C C 133 180.300 180.300 178.965 1.335 18547 10782 1 11 . 1 1 143 143 LEU CA C 133 57.300 57.300 57.948 -0.648 18547 10783 1 11 . 1 1 143 143 LEU CB C 133 40.600 40.600 41.147 -0.547 18547 10784 1 11 . 1 1 143 143 LEU H H 133 9.190 9.190 8.534 0.656 18547 10785 1 11 . 1 1 144 144 ASP N N 134 122.600 122.600 120.547 2.053 18547 10786 1 11 . 1 1 144 144 ASP HA H 134 4.580 4.580 4.351 0.229 18547 10787 1 11 . 1 1 144 144 ASP C C 134 179.900 179.900 178.358 1.542 18547 10788 1 11 . 1 1 144 144 ASP CA C 134 57.800 57.800 57.455 0.346 18547 10789 1 11 . 1 1 144 144 ASP CB C 134 39.800 39.800 40.714 -0.914 18547 10790 1 11 . 1 1 144 144 ASP H H 134 7.930 7.930 7.702 0.228 18547 10791 1 11 . 1 1 145 145 PHE N N 135 119.300 119.300 117.912 1.388 18547 10792 1 11 . 1 1 145 145 PHE HA H 135 4.580 4.580 4.443 0.137 18547 10793 1 11 . 1 1 145 145 PHE C C 135 178.000 178.000 178.079 -0.079 18547 10794 1 11 . 1 1 145 145 PHE CA C 135 61.700 61.700 60.520 1.180 18547 10795 1 11 . 1 1 145 145 PHE CB C 135 39.400 39.400 38.787 0.613 18547 10796 1 11 . 1 1 145 145 PHE H H 135 7.690 7.690 7.863 -0.173 18547 10797 1 11 . 1 1 146 146 LEU N N 136 124.400 124.400 122.895 1.505 18547 10798 1 11 . 1 1 146 146 LEU HA H 136 3.200 3.200 3.929 -0.729 18547 10799 1 11 . 1 1 146 146 LEU C C 136 178.800 178.800 178.451 0.349 18547 10800 1 11 . 1 1 146 146 LEU CA C 136 58.400 58.400 57.767 0.633 18547 10801 1 11 . 1 1 146 146 LEU CB C 136 38.800 38.800 40.577 -1.777 18547 10802 1 11 . 1 1 146 146 LEU H H 136 7.930 7.930 8.189 -0.259 18547 10803 1 11 . 1 1 147 147 GLY N N 137 104.200 104.200 106.402 -2.202 18547 10804 1 11 . 1 1 147 147 GLY C C 137 176.100 176.100 176.374 -0.274 18547 10805 1 11 . 1 1 147 147 GLY CA C 137 47.900 47.900 47.587 0.313 18547 10806 1 11 . 1 1 147 147 GLY H H 137 8.340 8.340 7.965 0.375 18547 10807 1 11 . 1 1 148 148 MET N N 138 119.300 119.300 120.285 -0.985 18547 10808 1 11 . 1 1 148 148 MET HA H 138 4.090 4.090 4.333 -0.243 18547 10809 1 11 . 1 1 148 148 MET C C 138 177.700 177.700 178.586 -0.886 18547 10810 1 11 . 1 1 148 148 MET CA C 138 59.400 59.400 57.248 2.151 18547 10811 1 11 . 1 1 148 148 MET CB C 138 34.500 34.500 31.885 2.615 18547 10812 1 11 . 1 1 148 148 MET H H 138 7.550 7.550 7.874 -0.324 18547 10813 1 11 . 1 1 149 149 PHE N N 139 120.400 120.400 121.346 -0.946 18547 10814 1 11 . 1 1 149 149 PHE HA H 139 4.380 4.380 4.348 0.032 18547 10815 1 11 . 1 1 149 149 PHE C C 139 179.100 179.100 177.679 1.421 18547 10816 1 11 . 1 1 149 149 PHE CA C 139 60.800 60.800 60.731 0.069 18547 10817 1 11 . 1 1 149 149 PHE CB C 139 39.200 39.200 39.254 -0.054 18547 10818 1 11 . 1 1 149 149 PHE H H 139 8.600 8.600 7.889 0.711 18547 10819 1 11 . 1 1 150 150 ILE N N 140 121.300 121.300 118.040 3.260 18547 10820 1 11 . 1 1 150 150 ILE HA H 140 3.420 3.420 3.475 -0.055 18547 10821 1 11 . 1 1 150 150 ILE C C 140 177.500 177.500 176.255 1.245 18547 10822 1 11 . 1 1 150 150 ILE CA C 140 63.100 63.100 64.259 -1.159 18547 10823 1 11 . 1 1 150 150 ILE CB C 140 37.100 37.100 38.685 -1.585 18547 10824 1 11 . 1 1 150 150 ILE H H 140 8.780 8.780 7.899 0.881 18547 10825 1 11 . 1 1 151 151 ARG N N 141 116.500 116.500 119.569 -3.069 18547 10826 1 11 . 1 1 151 151 ARG HA H 141 4.220 4.220 4.345 -0.125 18547 10827 1 11 . 1 1 151 151 ARG C C 141 176.700 176.700 174.424 2.276 18547 10828 1 11 . 1 1 151 151 ARG CA C 141 57.500 57.500 56.073 1.427 18547 10829 1 11 . 1 1 151 151 ARG CB C 141 31.500 31.500 31.279 0.221 18547 10830 1 11 . 1 1 151 151 ARG H H 141 7.730 7.730 7.914 -0.184 18547 10831 1 11 . 1 1 152 152 GLY N N 142 106.800 106.800 110.376 -3.576 18547 10832 1 11 . 1 1 152 152 GLY C C 142 174.900 174.900 172.971 1.929 18547 10833 1 11 . 1 1 152 152 GLY CA C 142 45.700 45.700 45.109 0.591 18547 10834 1 11 . 1 1 152 152 GLY H H 142 7.570 7.570 7.898 -0.328 18547 10835 1 11 . 1 1 153 153 ASP N N 143 119.400 119.400 119.039 0.361 18547 10836 1 11 . 1 1 153 153 ASP HA H 143 4.780 4.780 4.379 0.401 18547 10837 1 11 . 1 1 153 153 ASP C C 143 175.400 175.400 174.990 0.410 18547 10838 1 11 . 1 1 153 153 ASP CA C 143 54.200 54.200 54.656 -0.456 18547 10839 1 11 . 1 1 153 153 ASP CB C 143 42.100 42.100 40.659 1.441 18547 10840 1 11 . 1 1 153 153 ASP H H 143 8.290 8.290 8.122 0.168 18547 10841 1 11 . 1 1 154 154 LEU N N 144 121.300 121.300 125.513 -4.213 18547 10842 1 11 . 1 1 154 154 LEU HA H 144 4.810 4.810 4.726 0.084 18547 10843 1 11 . 1 1 154 154 LEU CA C 144 52.800 52.800 52.612 0.188 18547 10844 1 11 . 1 1 154 154 LEU CB C 144 42.500 42.500 42.968 -0.468 18547 10845 1 11 . 1 1 154 154 LEU H H 144 8.010 8.010 8.486 -0.476 18547 10846 1 11 . 1 1 155 155 PRO HA H 145 4.480 4.480 4.580 -0.100 18547 10847 1 11 . 1 1 155 155 PRO C C 145 177.600 177.600 177.206 0.394 18547 10848 1 11 . 1 1 155 155 PRO CA C 145 63.500 63.500 63.420 0.080 18547 10849 1 11 . 1 1 155 155 PRO CB C 145 32.200 32.200 32.418 -0.218 18547 10850 1 11 . 1 1 156 156 GLY N N 146 108.900 108.900 108.653 0.247 18547 10851 1 11 . 1 1 156 156 GLY C C 146 174.300 174.300 173.488 0.812 18547 10852 1 11 . 1 1 156 156 GLY CA C 146 45.100 45.100 44.761 0.339 18547 10853 1 11 . 1 1 156 156 GLY H H 146 8.530 8.530 8.306 0.224 18547 10854 1 11 . 1 1 157 157 GLY N N 147 108.800 108.800 108.521 0.279 18547 10855 1 11 . 1 1 157 157 GLY CA C 147 44.500 44.500 44.927 -0.427 18547 10856 1 11 . 1 1 157 157 GLY H H 147 8.080 8.080 7.727 0.353 18547 10857 1 11 . 1 1 158 158 PRO HA H 148 4.440 4.440 4.613 -0.173 18547 10858 1 11 . 1 1 158 158 PRO C C 148 176.800 176.800 175.774 1.026 18547 10859 1 11 . 1 1 158 158 PRO CA C 148 63.000 63.000 63.298 -0.298 18547 10860 1 11 . 1 1 158 158 PRO CB C 148 32.100 32.100 32.190 -0.090 18547 10861 1 11 . 1 1 159 159 VAL N N 149 121.400 121.400 115.948 5.452 18547 10862 1 11 . 1 1 159 159 VAL HA H 149 4.390 4.390 4.705 -0.315 18547 10863 1 11 . 1 1 159 159 VAL CA C 149 59.800 59.800 58.639 1.161 18547 10864 1 11 . 1 1 159 159 VAL CB C 149 32.600 32.600 33.088 -0.488 18547 10865 1 11 . 1 1 159 159 VAL H H 149 8.220 8.220 7.511 0.709 18547 10866 1 11 . 1 1 160 160 PRO HA H 150 4.380 4.380 4.320 0.060 18547 10867 1 11 . 1 1 160 160 PRO C C 150 177.200 177.200 177.660 -0.460 18547 10868 1 11 . 1 1 160 160 PRO CA C 150 63.300 63.300 65.031 -1.731 18547 10869 1 11 . 1 1 160 160 PRO CB C 150 32.100 32.100 32.432 -0.332 18547 10870 1 11 . 1 1 161 161 GLU N N 151 120.700 120.700 118.252 2.448 18547 10871 1 11 . 1 1 161 161 GLU HA H 151 4.170 4.170 4.263 -0.093 18547 10872 1 11 . 1 1 161 161 GLU CA C 151 57.400 57.400 56.230 1.170 18547 10873 1 11 . 1 1 161 161 GLU CB C 151 29.900 29.900 30.255 -0.355 18547 10874 1 11 . 1 1 161 161 GLU H H 151 8.620 8.620 8.255 0.365 18547 10875 1 11 . 1 1 162 162 ASP N N 152 119.900 119.900 118.071 1.829 18547 10876 1 11 . 1 1 162 162 ASP HA H 152 4.570 4.570 4.323 0.247 18547 10877 1 11 . 1 1 162 162 ASP C C 152 176.000 176.000 174.676 1.324 18547 10878 1 11 . 1 1 162 162 ASP CA C 152 54.200 54.200 54.547 -0.347 18547 10879 1 11 . 1 1 162 162 ASP CB C 152 41.000 41.000 39.621 1.379 18547 10880 1 11 . 1 1 162 162 ASP H H 152 8.250 8.250 7.986 0.264 18547 10881 1 11 . 1 1 163 163 ALA N N 153 124.000 124.000 125.168 -1.168 18547 10882 1 11 . 1 1 163 163 ALA HA H 153 4.270 4.270 4.457 -0.187 18547 10883 1 11 . 1 1 163 163 ALA C C 153 177.400 177.400 177.607 -0.207 18547 10884 1 11 . 1 1 163 163 ALA CA C 153 52.700 52.700 52.560 0.140 18547 10885 1 11 . 1 1 163 163 ALA CB C 153 19.200 19.200 20.228 -1.028 18547 10886 1 11 . 1 1 163 163 ALA H H 153 8.040 8.040 8.420 -0.380 18547 10887 1 11 . 1 1 164 164 ALA N N 154 122.600 122.600 119.827 2.773 18547 10888 1 11 . 1 1 164 164 ALA HA H 154 4.260 4.260 3.979 0.281 18547 10889 1 11 . 1 1 164 164 ALA C C 154 177.900 177.900 177.299 0.601 18547 10890 1 11 . 1 1 164 164 ALA CA C 154 52.600 52.600 53.348 -0.748 18547 10891 1 11 . 1 1 164 164 ALA CB C 154 19.300 19.300 17.154 2.146 18547 10892 1 11 . 1 1 164 164 ALA H H 154 8.190 8.190 8.233 -0.043 18547 10893 1 11 . 1 1 165 165 GLU N N 155 119.400 119.400 118.644 0.756 18547 10894 1 11 . 1 1 165 165 GLU HA H 155 4.220 4.220 4.362 -0.142 18547 10895 1 11 . 1 1 165 165 GLU C C 155 176.200 176.200 176.840 -0.640 18547 10896 1 11 . 1 1 165 165 GLU CA C 155 56.500 56.500 55.986 0.514 18547 10897 1 11 . 1 1 165 165 GLU CB C 155 30.300 30.300 30.491 -0.191 18547 10898 1 11 . 1 1 165 165 GLU H H 155 8.190 8.190 8.067 0.123 18547 10899 1 11 . 1 1 166 166 GLU N N 156 121.000 121.000 116.109 4.891 18547 10900 1 11 . 1 1 166 166 GLU HA H 156 4.240 4.240 4.102 0.138 18547 10901 1 11 . 1 1 166 166 GLU C C 156 175.800 175.800 175.267 0.533 18547 10902 1 11 . 1 1 166 166 GLU CA C 156 56.300 56.300 57.162 -0.862 18547 10903 1 11 . 1 1 166 166 GLU CB C 156 30.300 30.300 28.529 1.771 18547 10904 1 11 . 1 1 166 166 GLU H H 156 8.230 8.230 8.234 -0.004 18547 10905 1 11 . 1 1 167 167 PHE N N 157 121.400 121.400 119.529 1.871 18547 10906 1 11 . 1 1 167 167 PHE HA H 157 4.590 4.590 4.474 0.116 18547 10907 1 11 . 1 1 167 167 PHE C C 157 175.100 175.100 175.596 -0.496 18547 10908 1 11 . 1 1 167 167 PHE CA C 157 57.700 57.700 59.621 -1.921 18547 10909 1 11 . 1 1 167 167 PHE CB C 157 39.900 39.900 39.305 0.595 18547 10910 1 11 . 1 1 167 167 PHE H H 157 8.240 8.240 7.973 0.267 18547 10911 1 11 . 1 1 168 168 GLU N N 158 124.400 124.400 120.679 3.721 18547 10912 1 11 . 1 1 168 168 GLU HA H 158 4.600 4.600 4.357 0.243 18547 10913 1 11 . 1 1 168 168 GLU CA C 158 53.700 53.700 54.209 -0.509 18547 10914 1 11 . 1 1 168 168 GLU CB C 158 30.400 30.400 28.828 1.572 18547 10915 1 11 . 1 1 168 168 GLU H H 158 8.130 8.130 8.465 -0.335 18547 10916 1 11 . 1 1 169 169 PRO HA H 159 4.460 4.460 4.502 -0.042 18547 10917 1 11 . 1 1 169 169 PRO C C 159 176.200 176.200 175.733 0.467 18547 10918 1 11 . 1 1 169 169 PRO CA C 159 62.800 62.800 62.483 0.317 18547 10919 1 11 . 1 1 169 169 PRO CB C 159 32.300 32.300 31.330 0.970 18547 10920 1 11 . 1 1 170 170 SER N N 160 118.600 118.600 116.203 2.397 18547 10921 1 11 . 1 1 170 170 SER HA H 160 4.780 4.780 4.644 0.136 18547 10922 1 11 . 1 1 170 170 SER CA C 160 56.200 56.200 56.003 0.197 18547 10923 1 11 . 1 1 170 170 SER CB C 160 63.200 63.200 63.118 0.082 18547 10924 1 11 . 1 1 170 170 SER H H 160 8.290 8.290 7.651 0.639 18547 10925 1 11 . 1 1 171 171 PRO HA H 161 4.350 4.350 4.078 0.272 18547 10926 1 11 . 1 1 171 171 PRO C C 161 179.400 179.400 178.995 0.405 18547 10927 1 11 . 1 1 171 171 PRO CA C 161 65.500 65.500 65.812 -0.312 18547 10928 1 11 . 1 1 171 171 PRO CB C 161 31.700 31.700 31.732 -0.032 18547 10929 1 11 . 1 1 172 172 GLU N N 162 118.300 118.300 116.740 1.560 18547 10930 1 11 . 1 1 172 172 GLU HA H 162 4.160 4.160 3.988 0.172 18547 10931 1 11 . 1 1 172 172 GLU C C 162 178.300 178.300 178.703 -0.403 18547 10932 1 11 . 1 1 172 172 GLU CA C 162 59.300 59.300 59.723 -0.423 18547 10933 1 11 . 1 1 172 172 GLU CB C 162 29.400 29.400 29.270 0.130 18547 10934 1 11 . 1 1 172 172 GLU H H 162 8.540 8.540 8.659 -0.119 18547 10935 1 11 . 1 1 173 173 MET N N 163 119.400 119.400 119.458 -0.058 18547 10936 1 11 . 1 1 173 173 MET HA H 163 4.260 4.260 4.253 0.007 18547 10937 1 11 . 1 1 173 173 MET C C 163 179.200 179.200 178.417 0.783 18547 10938 1 11 . 1 1 173 173 MET CA C 163 58.200 58.200 58.035 0.165 18547 10939 1 11 . 1 1 173 173 MET CB C 163 32.500 32.500 32.398 0.102 18547 10940 1 11 . 1 1 173 173 MET H H 163 7.830 7.830 7.607 0.223 18547 10941 1 11 . 1 1 174 174 MET N N 164 119.300 119.300 118.187 1.113 18547 10942 1 11 . 1 1 174 174 MET HA H 164 4.260 4.260 4.099 0.161 18547 10943 1 11 . 1 1 174 174 MET C C 164 178.600 178.600 178.459 0.141 18547 10944 1 11 . 1 1 174 174 MET CA C 164 58.200 58.200 59.311 -1.111 18547 10945 1 11 . 1 1 174 174 MET CB C 164 31.900 31.900 32.232 -0.332 18547 10946 1 11 . 1 1 174 174 MET H H 164 8.320 8.320 8.181 0.139 18547 10947 1 11 . 1 1 175 175 ARG N N 165 121.200 121.200 120.721 0.479 18547 10948 1 11 . 1 1 175 175 ARG HA H 165 4.160 4.160 4.118 0.042 18547 10949 1 11 . 1 1 175 175 ARG C C 165 178.800 178.800 178.575 0.225 18547 10950 1 11 . 1 1 175 175 ARG CA C 165 59.400 59.400 58.898 0.502 18547 10951 1 11 . 1 1 175 175 ARG CB C 165 29.900 29.900 29.302 0.598 18547 10952 1 11 . 1 1 175 175 ARG H H 165 8.020 8.020 8.161 -0.141 18547 10953 1 11 . 1 1 176 176 ILE N N 166 120.500 120.500 119.461 1.039 18547 10954 1 11 . 1 1 176 176 ILE HA H 166 3.920 3.920 3.995 -0.075 18547 10955 1 11 . 1 1 176 176 ILE C C 166 178.500 178.500 177.939 0.561 18547 10956 1 11 . 1 1 176 176 ILE CA C 166 64.500 64.500 63.758 0.742 18547 10957 1 11 . 1 1 176 176 ILE CB C 166 37.900 37.900 36.606 1.294 18547 10958 1 11 . 1 1 176 176 ILE H H 166 8.110 8.110 7.935 0.175 18547 10959 1 11 . 1 1 177 177 SER N N 167 116.300 116.300 115.181 1.119 18547 10960 1 11 . 1 1 177 177 SER HA H 167 4.240 4.240 4.063 0.177 18547 10961 1 11 . 1 1 177 177 SER C C 167 177.300 177.300 176.625 0.675 18547 10962 1 11 . 1 1 177 177 SER CA C 167 62.500 62.500 61.371 1.129 18547 10963 1 11 . 1 1 177 177 SER CB C 167 62.800 62.800 62.907 -0.107 18547 10964 1 11 . 1 1 177 177 SER H H 167 8.290 8.290 7.964 0.326 18547 10965 1 11 . 1 1 178 178 GLN N N 168 123.300 123.300 120.298 3.002 18547 10966 1 11 . 1 1 178 178 GLN HA H 168 4.110 4.110 4.011 0.099 18547 10967 1 11 . 1 1 178 178 GLN C C 168 178.600 178.600 178.403 0.197 18547 10968 1 11 . 1 1 178 178 GLN CA C 168 59.200 59.200 59.130 0.070 18547 10969 1 11 . 1 1 178 178 GLN CB C 168 28.000 28.000 28.963 -0.963 18547 10970 1 11 . 1 1 178 178 GLN H H 168 8.080 8.080 7.749 0.331 18547 10971 1 11 . 1 1 179 179 GLU N N 169 121.200 121.200 119.418 1.782 18547 10972 1 11 . 1 1 179 179 GLU HA H 169 4.090 4.090 3.960 0.130 18547 10973 1 11 . 1 1 179 179 GLU C C 169 180.500 180.500 179.347 1.153 18547 10974 1 11 . 1 1 179 179 GLU CA C 169 59.500 59.500 59.364 0.136 18547 10975 1 11 . 1 1 179 179 GLU CB C 169 29.700 29.700 29.229 0.471 18547 10976 1 11 . 1 1 179 179 GLU H H 169 8.380 8.380 8.460 -0.080 18547 10977 1 11 . 1 1 180 180 ARG N N 170 120.800 120.800 118.978 1.822 18547 10978 1 11 . 1 1 180 180 ARG HA H 170 4.010 4.010 4.336 -0.326 18547 10979 1 11 . 1 1 180 180 ARG C C 170 178.100 178.100 179.178 -1.078 18547 10980 1 11 . 1 1 180 180 ARG CA C 170 59.900 59.900 57.127 2.773 18547 10981 1 11 . 1 1 180 180 ARG CB C 170 30.600 30.600 29.674 0.926 18547 10982 1 11 . 1 1 180 180 ARG H H 170 8.670 8.670 8.140 0.530 18547 10983 1 11 . 1 1 181 181 GLY N N 171 108.200 108.200 108.407 -0.207 18547 10984 1 11 . 1 1 181 181 GLY C C 171 176.600 176.600 176.690 -0.090 18547 10985 1 11 . 1 1 181 181 GLY CA C 171 47.800 47.800 47.243 0.557 18547 10986 1 11 . 1 1 181 181 GLY H H 171 8.550 8.550 8.197 0.353 18547 10987 1 11 . 1 1 182 182 GLU N N 172 121.900 121.900 121.791 0.109 18547 10988 1 11 . 1 1 182 182 GLU HA H 172 4.110 4.110 4.160 -0.050 18547 10989 1 11 . 1 1 182 182 GLU C C 172 179.300 179.300 178.951 0.349 18547 10990 1 11 . 1 1 182 182 GLU CA C 172 59.300 59.300 58.621 0.679 18547 10991 1 11 . 1 1 182 182 GLU CB C 172 29.300 29.300 29.286 0.014 18547 10992 1 11 . 1 1 182 182 GLU H H 172 8.190 8.190 8.249 -0.059 18547 10993 1 11 . 1 1 183 183 ALA N N 173 123.500 123.500 122.945 0.555 18547 10994 1 11 . 1 1 183 183 ALA HA H 173 4.150 4.150 3.945 0.205 18547 10995 1 11 . 1 1 183 183 ALA C C 173 181.500 181.500 179.684 1.816 18547 10996 1 11 . 1 1 183 183 ALA CA C 173 55.000 55.000 54.948 0.052 18547 10997 1 11 . 1 1 183 183 ALA CB C 173 17.100 17.100 18.097 -0.997 18547 10998 1 11 . 1 1 183 183 ALA H H 173 7.800 7.800 8.059 -0.259 18547 10999 1 11 . 1 1 184 184 TRP N N 174 118.100 118.100 117.876 0.224 18547 11000 1 11 . 1 1 184 184 TRP HA H 174 4.540 4.540 4.427 0.113 18547 11001 1 11 . 1 1 184 184 TRP C C 174 178.500 178.500 178.092 0.408 18547 11002 1 11 . 1 1 184 184 TRP CA C 174 60.600 60.600 59.488 1.112 18547 11003 1 11 . 1 1 184 184 TRP CB C 174 30.800 30.800 29.523 1.277 18547 11004 1 11 . 1 1 184 184 TRP H H 174 8.400 8.400 8.203 0.197 18547 11005 1 11 . 1 1 185 185 ALA N N 175 121.700 121.700 122.741 -1.041 18547 11006 1 11 . 1 1 185 185 ALA HA H 175 3.920 3.920 3.859 0.061 18547 11007 1 11 . 1 1 185 185 ALA C C 175 179.600 179.600 178.688 0.912 18547 11008 1 11 . 1 1 185 185 ALA CA C 175 55.600 55.600 54.537 1.063 18547 11009 1 11 . 1 1 185 185 ALA CB C 175 17.900 17.900 17.769 0.131 18547 11010 1 11 . 1 1 185 185 ALA H H 175 8.800 8.800 8.017 0.783 18547 11011 1 11 . 1 1 186 186 ALA N N 176 119.000 119.000 121.280 -2.280 18547 11012 1 11 . 1 1 186 186 ALA HA H 176 4.190 4.190 3.919 0.271 18547 11013 1 11 . 1 1 186 186 ALA C C 176 180.300 180.300 179.646 0.654 18547 11014 1 11 . 1 1 186 186 ALA CA C 176 54.800 54.800 54.811 -0.011 18547 11015 1 11 . 1 1 186 186 ALA CB C 176 17.900 17.900 18.405 -0.505 18547 11016 1 11 . 1 1 186 186 ALA H H 176 7.860 7.860 7.813 0.047 18547 11017 1 11 . 1 1 187 187 LEU N N 177 118.500 118.500 118.837 -0.337 18547 11018 1 11 . 1 1 187 187 LEU HA H 177 4.210 4.210 4.019 0.191 18547 11019 1 11 . 1 1 187 187 LEU C C 177 179.400 179.400 179.520 -0.120 18547 11020 1 11 . 1 1 187 187 LEU CA C 177 57.600 57.600 57.386 0.214 18547 11021 1 11 . 1 1 187 187 LEU CB C 177 42.700 42.700 41.855 0.845 18547 11022 1 11 . 1 1 187 187 LEU H H 177 7.460 7.460 7.495 -0.035 18547 11023 1 11 . 1 1 188 188 VAL N N 178 118.500 118.500 118.337 0.163 18547 11024 1 11 . 1 1 188 188 VAL HA H 178 3.660 3.660 3.740 -0.080 18547 11025 1 11 . 1 1 188 188 VAL C C 178 177.600 177.600 177.440 0.160 18547 11026 1 11 . 1 1 188 188 VAL CA C 178 66.000 66.000 65.018 0.982 18547 11027 1 11 . 1 1 188 188 VAL CB C 178 32.400 32.400 31.652 0.748 18547 11028 1 11 . 1 1 188 188 VAL H H 178 8.640 8.640 8.011 0.629 18547 11029 1 11 . 1 1 189 189 HIS N N 179 116.000 116.000 116.007 -0.007 18547 11030 1 11 . 1 1 189 189 HIS HA H 179 4.780 4.780 4.407 0.373 18547 11031 1 11 . 1 1 189 189 HIS C C 179 175.300 175.300 176.497 -1.197 18547 11032 1 11 . 1 1 189 189 HIS CA C 179 56.200 56.200 57.142 -0.942 18547 11033 1 11 . 1 1 189 189 HIS CB C 179 28.500 28.500 30.074 -1.574 18547 11034 1 11 . 1 1 189 189 HIS H H 179 8.150 8.150 7.682 0.468 18547 11035 1 11 . 1 1 190 190 SER N N 180 115.000 115.000 114.641 0.359 18547 11036 1 11 . 1 1 190 190 SER HA H 180 4.480 4.480 4.368 0.112 18547 11037 1 11 . 1 1 190 190 SER C C 180 175.100 175.100 174.346 0.754 18547 11038 1 11 . 1 1 190 190 SER CA C 180 59.500 59.500 58.963 0.537 18547 11039 1 11 . 1 1 190 190 SER CB C 180 64.000 64.000 61.712 2.288 18547 11040 1 11 . 1 1 190 190 SER H H 180 7.820 7.820 7.689 0.131 18547 11041 1 11 . 1 1 191 191 GLY N N 181 111.100 111.100 113.164 -2.064 18547 11042 1 11 . 1 1 191 191 GLY C C 181 173.400 173.400 173.609 -0.209 18547 11043 1 11 . 1 1 191 191 GLY CA C 181 45.500 45.500 45.023 0.477 18547 11044 1 11 . 1 1 191 191 GLY H H 181 8.330 8.330 7.983 0.347 18547 11045 1 12 . 1 1 12 12 ALA N N 2 125.600 125.600 125.572 0.028 18547 11046 1 12 . 1 1 12 12 ALA HA H 2 4.300 4.300 4.436 -0.136 18547 11047 1 12 . 1 1 12 12 ALA C C 2 177.600 177.600 176.621 0.979 18547 11048 1 12 . 1 1 12 12 ALA CA C 2 52.600 52.600 52.577 0.023 18547 11049 1 12 . 1 1 12 12 ALA CB C 2 19.200 19.200 19.339 -0.139 18547 11050 1 12 . 1 1 12 12 ALA H H 2 8.380 8.380 8.513 -0.133 18547 11051 1 12 . 1 1 13 13 SER N N 3 115.000 115.000 117.468 -2.468 18547 11052 1 12 . 1 1 13 13 SER HA H 3 4.390 4.390 4.394 -0.004 18547 11053 1 12 . 1 1 13 13 SER C C 3 175.100 175.100 174.633 0.467 18547 11054 1 12 . 1 1 13 13 SER CA C 3 58.500 58.500 59.236 -0.736 18547 11055 1 12 . 1 1 13 13 SER CB C 3 63.800 63.800 62.150 1.650 18547 11056 1 12 . 1 1 13 13 SER H H 3 8.250 8.250 8.341 -0.091 18547 11057 1 12 . 1 1 14 14 GLY N N 4 110.700 110.700 109.503 1.197 18547 11058 1 12 . 1 1 14 14 GLY C C 4 174.000 174.000 173.549 0.451 18547 11059 1 12 . 1 1 14 14 GLY CA C 4 45.400 45.400 45.344 0.056 18547 11060 1 12 . 1 1 14 14 GLY H H 4 8.390 8.390 7.917 0.473 18547 11061 1 12 . 1 1 15 15 GLN N N 5 120.100 120.100 117.039 3.061 18547 11062 1 12 . 1 1 15 15 GLN HA H 5 4.310 4.310 3.873 0.437 18547 11063 1 12 . 1 1 15 15 GLN C C 5 175.500 175.500 174.807 0.693 18547 11064 1 12 . 1 1 15 15 GLN CA C 5 55.600 55.600 56.425 -0.825 18547 11065 1 12 . 1 1 15 15 GLN CB C 5 29.700 29.700 26.220 3.480 18547 11066 1 12 . 1 1 15 15 GLN H H 5 8.190 8.190 7.947 0.243 18547 11067 1 12 . 1 1 16 16 ALA N N 6 126.000 126.000 122.461 3.539 18547 11068 1 12 . 1 1 16 16 ALA HA H 6 4.360 4.360 4.444 -0.084 18547 11069 1 12 . 1 1 16 16 ALA C C 6 177.300 177.300 175.837 1.463 18547 11070 1 12 . 1 1 16 16 ALA CA C 6 52.300 52.300 51.950 0.350 18547 11071 1 12 . 1 1 16 16 ALA CB C 6 19.200 19.200 20.972 -1.772 18547 11072 1 12 . 1 1 16 16 ALA H H 6 8.400 8.400 7.872 0.528 18547 11073 1 12 . 1 1 17 17 THR N N 7 119.200 119.200 117.251 1.949 18547 11074 1 12 . 1 1 17 17 THR HA H 7 4.370 4.370 5.037 -0.667 18547 11075 1 12 . 1 1 17 17 THR C C 7 173.600 173.600 173.922 -0.322 18547 11076 1 12 . 1 1 17 17 THR CA C 7 63.200 63.200 61.468 1.732 18547 11077 1 12 . 1 1 17 17 THR CB C 7 70.600 70.600 70.035 0.564 18547 11078 1 12 . 1 1 17 17 THR H H 7 8.180 8.180 8.157 0.023 18547 11079 1 12 . 1 1 18 18 GLU N N 8 127.500 127.500 127.378 0.122 18547 11080 1 12 . 1 1 18 18 GLU HA H 8 4.540 4.540 4.474 0.066 18547 11081 1 12 . 1 1 18 18 GLU C C 8 174.200 174.200 175.398 -1.198 18547 11082 1 12 . 1 1 18 18 GLU CA C 8 55.100 55.100 55.730 -0.630 18547 11083 1 12 . 1 1 18 18 GLU CB C 8 31.900 31.900 31.243 0.657 18547 11084 1 12 . 1 1 18 18 GLU H H 8 8.810 8.810 8.606 0.204 18547 11085 1 12 . 1 1 19 19 ARG N N 9 122.100 122.100 122.909 -0.809 18547 11086 1 12 . 1 1 19 19 ARG HA H 9 5.060 5.060 5.051 0.009 18547 11087 1 12 . 1 1 19 19 ARG C C 9 175.000 175.000 175.259 -0.259 18547 11088 1 12 . 1 1 19 19 ARG CA C 9 54.800 54.800 54.886 -0.086 18547 11089 1 12 . 1 1 19 19 ARG CB C 9 31.600 31.600 32.447 -0.847 18547 11090 1 12 . 1 1 19 19 ARG H H 9 8.070 8.070 8.543 -0.473 18547 11091 1 12 . 1 1 20 20 ALA N N 10 126.300 126.300 127.010 -0.710 18547 11092 1 12 . 1 1 20 20 ALA HA H 10 4.640 4.640 4.488 0.152 18547 11093 1 12 . 1 1 20 20 ALA C C 10 173.800 173.800 174.917 -1.117 18547 11094 1 12 . 1 1 20 20 ALA CA C 10 51.100 51.100 51.687 -0.587 18547 11095 1 12 . 1 1 20 20 ALA CB C 10 22.800 22.800 21.760 1.040 18547 11096 1 12 . 1 1 20 20 ALA H H 10 9.390 9.390 8.829 0.561 18547 11097 1 12 . 1 1 21 21 LEU N N 11 117.500 117.500 124.790 -7.290 18547 11098 1 12 . 1 1 21 21 LEU HA H 11 5.790 5.790 4.981 0.809 18547 11099 1 12 . 1 1 21 21 LEU C C 11 178.100 178.100 177.060 1.040 18547 11100 1 12 . 1 1 21 21 LEU CA C 11 53.100 53.100 54.546 -1.446 18547 11101 1 12 . 1 1 21 21 LEU CB C 11 45.400 45.400 42.513 2.887 18547 11102 1 12 . 1 1 21 21 LEU H H 11 8.280 8.280 8.530 -0.250 18547 11103 1 12 . 1 1 22 22 GLY N N 12 113.400 113.400 113.270 0.130 18547 11104 1 12 . 1 1 22 22 GLY C C 12 174.800 174.800 172.459 2.341 18547 11105 1 12 . 1 1 22 22 GLY CA C 12 44.500 44.500 44.160 0.340 18547 11106 1 12 . 1 1 22 22 GLY H H 12 8.830 8.830 8.818 0.012 18547 11107 1 12 . 1 1 23 23 ARG N N 13 119.600 119.600 117.753 1.847 18547 11108 1 12 . 1 1 23 23 ARG HA H 13 5.040 5.040 4.593 0.447 18547 11109 1 12 . 1 1 23 23 ARG C C 13 174.900 174.900 174.607 0.293 18547 11110 1 12 . 1 1 23 23 ARG CA C 13 55.800 55.800 55.694 0.106 18547 11111 1 12 . 1 1 23 23 ARG CB C 13 33.600 33.600 33.335 0.265 18547 11112 1 12 . 1 1 23 23 ARG H H 13 8.160 8.160 8.354 -0.194 18547 11113 1 12 . 1 1 24 24 ARG N N 14 121.900 121.900 121.677 0.223 18547 11114 1 12 . 1 1 24 24 ARG HA H 14 4.530 4.530 4.474 0.056 18547 11115 1 12 . 1 1 24 24 ARG C C 14 174.000 174.000 174.317 -0.317 18547 11116 1 12 . 1 1 24 24 ARG CA C 14 55.200 55.200 56.242 -1.042 18547 11117 1 12 . 1 1 24 24 ARG CB C 14 34.700 34.700 32.881 1.819 18547 11118 1 12 . 1 1 24 24 ARG H H 14 8.780 8.780 8.768 0.012 18547 11119 1 12 . 1 1 25 25 THR N N 15 121.700 121.700 123.493 -1.793 18547 11120 1 12 . 1 1 25 25 THR HA H 15 4.420 4.420 4.609 -0.189 18547 11121 1 12 . 1 1 25 25 THR C C 15 173.700 173.700 174.720 -1.020 18547 11122 1 12 . 1 1 25 25 THR CA C 15 63.600 63.600 62.548 1.052 18547 11123 1 12 . 1 1 25 25 THR CB C 15 68.600 68.600 68.584 0.016 18547 11124 1 12 . 1 1 25 25 THR H H 15 8.800 8.800 8.442 0.358 18547 11125 1 12 . 1 1 26 26 ILE N N 16 124.200 124.200 123.439 0.761 18547 11126 1 12 . 1 1 26 26 ILE HA H 16 4.940 4.940 4.446 0.494 18547 11127 1 12 . 1 1 26 26 ILE CA C 16 59.300 59.300 58.300 1.000 18547 11128 1 12 . 1 1 26 26 ILE CB C 16 38.200 38.200 37.592 0.608 18547 11129 1 12 . 1 1 26 26 ILE H H 16 8.420 8.420 7.892 0.528 18547 11130 1 12 . 1 1 27 27 PRO HA H 17 4.180 4.180 4.234 -0.054 18547 11131 1 12 . 1 1 27 27 PRO C C 17 178.100 178.100 177.356 0.744 18547 11132 1 12 . 1 1 27 27 PRO CA C 17 67.200 67.200 64.636 2.564 18547 11133 1 12 . 1 1 27 27 PRO CB C 17 30.700 30.700 31.655 -0.955 18547 11134 1 12 . 1 1 28 28 ALA N N 18 114.800 114.800 121.586 -6.786 18547 11135 1 12 . 1 1 28 28 ALA HA H 18 4.270 4.270 4.242 0.028 18547 11136 1 12 . 1 1 28 28 ALA C C 18 177.000 177.000 177.007 -0.007 18547 11137 1 12 . 1 1 28 28 ALA CA C 18 53.100 53.100 53.663 -0.563 18547 11138 1 12 . 1 1 28 28 ALA CB C 18 19.500 19.500 19.449 0.051 18547 11139 1 12 . 1 1 28 28 ALA H H 18 8.060 8.060 8.392 -0.332 18547 11140 1 12 . 1 1 29 29 GLY N N 19 107.100 107.100 104.830 2.270 18547 11141 1 12 . 1 1 29 29 GLY C C 19 171.900 171.900 172.117 -0.217 18547 11142 1 12 . 1 1 29 29 GLY CA C 19 44.000 44.000 44.890 -0.890 18547 11143 1 12 . 1 1 29 29 GLY H H 19 8.140 8.140 7.572 0.568 18547 11144 1 12 . 1 1 30 30 GLU N N 20 120.000 120.000 120.948 -0.948 18547 11145 1 12 . 1 1 30 30 GLU HA H 20 4.320 4.320 4.221 0.099 18547 11146 1 12 . 1 1 30 30 GLU C C 20 175.600 175.600 175.223 0.377 18547 11147 1 12 . 1 1 30 30 GLU CA C 20 57.300 57.300 56.795 0.505 18547 11148 1 12 . 1 1 30 30 GLU CB C 20 29.100 29.100 29.432 -0.332 18547 11149 1 12 . 1 1 30 30 GLU H H 20 8.380 8.380 8.495 -0.115 18547 11150 1 12 . 1 1 31 31 ALA N N 21 129.500 129.500 127.208 2.292 18547 11151 1 12 . 1 1 31 31 ALA HA H 21 4.610 4.610 4.679 -0.069 18547 11152 1 12 . 1 1 31 31 ALA C C 21 177.200 177.200 176.330 0.870 18547 11153 1 12 . 1 1 31 31 ALA CA C 21 51.200 51.200 50.797 0.404 18547 11154 1 12 . 1 1 31 31 ALA CB C 21 22.500 22.500 22.089 0.411 18547 11155 1 12 . 1 1 31 31 ALA H H 21 8.660 8.660 7.979 0.681 18547 11156 1 12 . 1 1 32 32 ARG N N 22 120.400 120.400 119.686 0.714 18547 11157 1 12 . 1 1 32 32 ARG HA H 22 4.950 4.950 4.605 0.345 18547 11158 1 12 . 1 1 32 32 ARG C C 22 173.400 173.400 175.603 -2.203 18547 11159 1 12 . 1 1 32 32 ARG CA C 22 55.500 55.500 54.619 0.881 18547 11160 1 12 . 1 1 32 32 ARG CB C 22 32.500 32.500 32.317 0.183 18547 11161 1 12 . 1 1 32 32 ARG H H 22 8.090 8.090 8.157 -0.067 18547 11162 1 12 . 1 1 33 33 SER N N 23 113.800 113.800 113.307 0.493 18547 11163 1 12 . 1 1 33 33 SER HA H 23 5.560 5.560 5.118 0.442 18547 11164 1 12 . 1 1 33 33 SER C C 23 174.500 174.500 173.184 1.316 18547 11165 1 12 . 1 1 33 33 SER CA C 23 55.600 55.600 56.507 -0.907 18547 11166 1 12 . 1 1 33 33 SER CB C 23 67.300 67.300 65.148 2.152 18547 11167 1 12 . 1 1 33 33 SER H H 23 8.080 8.080 8.128 -0.048 18547 11168 1 12 . 1 1 34 34 ILE N N 24 112.700 112.700 121.269 -8.569 18547 11169 1 12 . 1 1 34 34 ILE HA H 24 4.950 4.950 4.713 0.237 18547 11170 1 12 . 1 1 34 34 ILE C C 24 175.400 175.400 174.257 1.143 18547 11171 1 12 . 1 1 34 34 ILE CA C 24 58.300 58.300 59.939 -1.639 18547 11172 1 12 . 1 1 34 34 ILE CB C 24 39.900 39.900 39.764 0.136 18547 11173 1 12 . 1 1 34 34 ILE H H 24 7.980 7.980 8.655 -0.675 18547 11174 1 12 . 1 1 35 35 ILE N N 25 121.800 121.800 123.997 -2.197 18547 11175 1 12 . 1 1 35 35 ILE HA H 25 4.960 4.960 4.416 0.544 18547 11176 1 12 . 1 1 35 35 ILE C C 25 174.800 174.800 174.715 0.085 18547 11177 1 12 . 1 1 35 35 ILE CA C 25 60.700 60.700 60.565 0.135 18547 11178 1 12 . 1 1 35 35 ILE CB C 25 41.300 41.300 39.505 1.795 18547 11179 1 12 . 1 1 35 35 ILE H H 25 8.960 8.960 8.442 0.518 18547 11180 1 12 . 1 1 36 36 ILE N N 26 127.900 127.900 128.573 -0.673 18547 11181 1 12 . 1 1 36 36 ILE HA H 26 4.770 4.770 4.643 0.127 18547 11182 1 12 . 1 1 36 36 ILE C C 26 175.000 175.000 174.849 0.151 18547 11183 1 12 . 1 1 36 36 ILE CA C 26 59.900 59.900 60.720 -0.820 18547 11184 1 12 . 1 1 36 36 ILE CB C 26 42.100 42.100 38.488 3.612 18547 11185 1 12 . 1 1 36 36 ILE H H 26 9.210 9.210 8.362 0.848 18547 11186 1 12 . 1 1 37 37 ARG N N 27 124.100 124.100 127.889 -3.789 18547 11187 1 12 . 1 1 37 37 ARG HA H 27 5.850 5.850 5.260 0.590 18547 11188 1 12 . 1 1 37 37 ARG C C 27 176.200 176.200 175.261 0.939 18547 11189 1 12 . 1 1 37 37 ARG CA C 27 54.100 54.100 54.684 -0.584 18547 11190 1 12 . 1 1 37 37 ARG CB C 27 32.900 32.900 32.705 0.195 18547 11191 1 12 . 1 1 37 37 ARG H H 27 8.670 8.670 8.712 -0.042 18547 11192 1 12 . 1 1 38 38 GLN N N 28 122.900 122.900 121.184 1.716 18547 11193 1 12 . 1 1 38 38 GLN HA H 28 4.710 4.710 5.474 -0.764 18547 11194 1 12 . 1 1 38 38 GLN C C 28 173.200 173.200 174.848 -1.648 18547 11195 1 12 . 1 1 38 38 GLN CA C 28 54.400 54.400 54.411 -0.011 18547 11196 1 12 . 1 1 38 38 GLN CB C 28 35.200 35.200 34.099 1.101 18547 11197 1 12 . 1 1 38 38 GLN H H 28 9.310 9.310 8.669 0.641 18547 11198 1 12 . 1 1 39 39 ARG N N 29 121.400 121.400 121.827 -0.427 18547 11199 1 12 . 1 1 39 39 ARG HA H 29 5.260 5.260 5.147 0.113 18547 11200 1 12 . 1 1 39 39 ARG C C 29 175.400 175.400 175.740 -0.340 18547 11201 1 12 . 1 1 39 39 ARG CA C 29 55.100 55.100 53.654 1.446 18547 11202 1 12 . 1 1 39 39 ARG CB C 29 32.500 32.500 30.298 2.202 18547 11203 1 12 . 1 1 39 39 ARG H H 29 8.510 8.510 8.253 0.257 18547 11204 1 12 . 1 1 40 40 TYR N N 30 120.000 120.000 124.616 -4.616 18547 11205 1 12 . 1 1 40 40 TYR HA H 30 4.600 4.600 4.391 0.209 18547 11206 1 12 . 1 1 40 40 TYR C C 30 175.600 175.600 175.170 0.430 18547 11207 1 12 . 1 1 40 40 TYR CA C 30 56.900 56.900 58.491 -1.591 18547 11208 1 12 . 1 1 40 40 TYR CB C 30 42.700 42.700 39.012 3.688 18547 11209 1 12 . 1 1 40 40 TYR H H 30 9.140 9.140 9.112 0.028 18547 11210 1 12 . 1 1 41 41 ASP N N 31 126.400 126.400 125.753 0.647 18547 11211 1 12 . 1 1 41 41 ASP HA H 31 4.880 4.880 4.615 0.265 18547 11212 1 12 . 1 1 41 41 ASP C C 31 174.500 174.500 175.136 -0.636 18547 11213 1 12 . 1 1 41 41 ASP CA C 31 53.200 53.200 54.788 -1.587 18547 11214 1 12 . 1 1 41 41 ASP CB C 31 39.200 39.200 39.577 -0.377 18547 11215 1 12 . 1 1 41 41 ASP H H 31 9.140 9.140 8.893 0.247 18547 11216 1 12 . 1 1 42 42 ALA N N 32 123.100 123.100 121.860 1.240 18547 11217 1 12 . 1 1 42 42 ALA HA H 32 4.690 4.690 4.744 -0.054 18547 11218 1 12 . 1 1 42 42 ALA CA C 32 50.100 50.100 49.373 0.727 18547 11219 1 12 . 1 1 42 42 ALA CB C 32 20.200 20.200 20.905 -0.705 18547 11220 1 12 . 1 1 42 42 ALA H H 32 7.770 7.770 7.771 -0.001 18547 11221 1 12 . 1 1 43 43 PRO HA H 33 4.650 4.650 4.506 0.144 18547 11222 1 12 . 1 1 43 43 PRO C C 33 178.100 178.100 177.599 0.501 18547 11223 1 12 . 1 1 43 43 PRO CA C 33 62.000 62.000 62.824 -0.824 18547 11224 1 12 . 1 1 43 43 PRO CB C 33 33.000 33.000 32.969 0.031 18547 11225 1 12 . 1 1 44 44 VAL N N 34 123.500 123.500 119.293 4.207 18547 11226 1 12 . 1 1 44 44 VAL HA H 34 3.960 3.960 3.698 0.262 18547 11227 1 12 . 1 1 44 44 VAL C C 34 177.500 177.500 177.917 -0.417 18547 11228 1 12 . 1 1 44 44 VAL CA C 34 66.000 66.000 66.372 -0.372 18547 11229 1 12 . 1 1 44 44 VAL CB C 34 32.000 32.000 31.962 0.038 18547 11230 1 12 . 1 1 44 44 VAL H H 34 8.570 8.570 8.488 0.082 18547 11231 1 12 . 1 1 45 45 ASP N N 35 116.200 116.200 119.632 -3.432 18547 11232 1 12 . 1 1 45 45 ASP HA H 35 4.290 4.290 4.335 -0.045 18547 11233 1 12 . 1 1 45 45 ASP C C 35 178.800 178.800 178.154 0.646 18547 11234 1 12 . 1 1 45 45 ASP CA C 35 57.500 57.500 57.502 -0.002 18547 11235 1 12 . 1 1 45 45 ASP CB C 35 40.400 40.400 40.435 -0.035 18547 11236 1 12 . 1 1 45 45 ASP H H 35 8.520 8.520 8.743 -0.223 18547 11237 1 12 . 1 1 46 46 GLU N N 36 120.100 120.100 120.340 -0.240 18547 11238 1 12 . 1 1 46 46 GLU HA H 36 4.260 4.260 4.062 0.198 18547 11239 1 12 . 1 1 46 46 GLU C C 36 179.000 179.000 179.156 -0.156 18547 11240 1 12 . 1 1 46 46 GLU CA C 36 58.400 58.400 59.335 -0.935 18547 11241 1 12 . 1 1 46 46 GLU CB C 36 29.700 29.700 29.283 0.417 18547 11242 1 12 . 1 1 46 46 GLU H H 36 7.360 7.360 8.317 -0.957 18547 11243 1 12 . 1 1 47 47 VAL N N 37 121.800 121.800 119.663 2.137 18547 11244 1 12 . 1 1 47 47 VAL HA H 37 3.370 3.370 3.577 -0.207 18547 11245 1 12 . 1 1 47 47 VAL C C 37 177.100 177.100 177.965 -0.865 18547 11246 1 12 . 1 1 47 47 VAL CA C 37 66.900 66.900 66.200 0.700 18547 11247 1 12 . 1 1 47 47 VAL CB C 37 31.000 31.000 31.336 -0.336 18547 11248 1 12 . 1 1 47 47 VAL H H 37 7.680 7.680 7.708 -0.028 18547 11249 1 12 . 1 1 48 48 TRP N N 38 119.800 119.800 121.424 -1.624 18547 11250 1 12 . 1 1 48 48 TRP HA H 38 3.990 3.990 4.194 -0.204 18547 11251 1 12 . 1 1 48 48 TRP C C 38 180.700 180.700 178.404 2.296 18547 11252 1 12 . 1 1 48 48 TRP CA C 38 60.900 60.900 60.616 0.284 18547 11253 1 12 . 1 1 48 48 TRP CB C 38 29.300 29.300 29.666 -0.366 18547 11254 1 12 . 1 1 48 48 TRP H H 38 9.160 9.160 8.346 0.814 18547 11255 1 12 . 1 1 49 49 SER N N 39 116.100 116.100 116.705 -0.605 18547 11256 1 12 . 1 1 49 49 SER HA H 39 4.010 4.010 4.079 -0.069 18547 11257 1 12 . 1 1 49 49 SER C C 39 175.700 175.700 176.640 -0.940 18547 11258 1 12 . 1 1 49 49 SER CA C 39 62.700 62.700 61.552 1.148 18547 11259 1 12 . 1 1 49 49 SER CB C 39 62.700 62.700 62.719 -0.019 18547 11260 1 12 . 1 1 49 49 SER H H 39 8.230 8.230 7.994 0.236 18547 11261 1 12 . 1 1 50 50 ALA N N 40 122.300 122.300 125.713 -3.413 18547 11262 1 12 . 1 1 50 50 ALA HA H 40 4.020 4.020 4.381 -0.361 18547 11263 1 12 . 1 1 50 50 ALA C C 40 176.700 176.700 179.869 -3.169 18547 11264 1 12 . 1 1 50 50 ALA CA C 40 55.200 55.200 55.013 0.187 18547 11265 1 12 . 1 1 50 50 ALA CB C 40 18.800 18.800 18.266 0.534 18547 11266 1 12 . 1 1 50 50 ALA H H 40 7.770 7.770 8.425 -0.655 18547 11267 1 12 . 1 1 51 51 CYS N N 41 109.400 109.400 112.333 -2.933 18547 11268 1 12 . 1 1 51 51 CYS HA H 41 4.510 4.510 4.535 -0.025 18547 11269 1 12 . 1 1 51 51 CYS C C 41 172.200 172.200 176.120 -3.920 18547 11270 1 12 . 1 1 51 51 CYS CA C 41 61.100 61.100 60.833 0.267 18547 11271 1 12 . 1 1 51 51 CYS CB C 41 29.800 29.800 27.064 2.736 18547 11272 1 12 . 1 1 51 51 CYS H H 41 7.080 7.080 7.870 -0.790 18547 11273 1 12 . 1 1 52 52 THR N N 42 100.100 100.100 112.353 -12.253 18547 11274 1 12 . 1 1 52 52 THR HA H 42 4.240 4.240 4.190 0.050 18547 11275 1 12 . 1 1 52 52 THR C C 42 173.500 173.500 174.302 -0.802 18547 11276 1 12 . 1 1 52 52 THR CA C 42 62.200 62.200 62.211 -0.011 18547 11277 1 12 . 1 1 52 52 THR CB C 42 71.800 71.800 69.705 2.095 18547 11278 1 12 . 1 1 52 52 THR H H 42 6.800 6.800 7.409 -0.609 18547 11279 1 12 . 1 1 53 53 ASP N N 43 123.000 123.000 123.685 -0.685 18547 11280 1 12 . 1 1 53 53 ASP HA H 43 5.080 5.080 5.002 0.078 18547 11281 1 12 . 1 1 53 53 ASP CA C 43 50.600 50.600 51.535 -0.935 18547 11282 1 12 . 1 1 53 53 ASP CB C 43 42.000 42.000 41.803 0.197 18547 11283 1 12 . 1 1 53 53 ASP H H 43 8.040 8.040 8.022 0.018 18547 11284 1 12 . 1 1 54 54 PRO HA H 44 3.960 3.960 4.088 -0.128 18547 11285 1 12 . 1 1 54 54 PRO C C 44 176.300 176.300 177.847 -1.547 18547 11286 1 12 . 1 1 54 54 PRO CA C 44 65.900 65.900 65.305 0.595 18547 11287 1 12 . 1 1 54 54 PRO CB C 44 32.700 32.700 31.888 0.812 18547 11288 1 12 . 1 1 55 55 ASN N N 45 112.700 112.700 115.800 -3.100 18547 11289 1 12 . 1 1 55 55 ASN HA H 45 4.520 4.520 4.411 0.109 18547 11290 1 12 . 1 1 55 55 ASN C C 45 175.900 175.900 177.032 -1.132 18547 11291 1 12 . 1 1 55 55 ASN CA C 45 55.100 55.100 55.504 -0.404 18547 11292 1 12 . 1 1 55 55 ASN CB C 45 38.900 38.900 38.392 0.508 18547 11293 1 12 . 1 1 55 55 ASN H H 45 8.160 8.160 8.070 0.090 18547 11294 1 12 . 1 1 56 56 ARG N N 46 117.700 117.700 118.381 -0.681 18547 11295 1 12 . 1 1 56 56 ARG HA H 46 4.250 4.250 3.839 0.411 18547 11296 1 12 . 1 1 56 56 ARG C C 46 177.100 177.100 178.929 -1.829 18547 11297 1 12 . 1 1 56 56 ARG CA C 46 58.400 58.400 58.623 -0.223 18547 11298 1 12 . 1 1 56 56 ARG CB C 46 31.800 31.800 30.386 1.414 18547 11299 1 12 . 1 1 56 56 ARG H H 46 7.940 7.940 8.055 -0.115 18547 11300 1 12 . 1 1 57 57 ILE N N 47 120.100 120.100 120.130 -0.030 18547 11301 1 12 . 1 1 57 57 ILE HA H 47 3.420 3.420 2.787 0.633 18547 11302 1 12 . 1 1 57 57 ILE C C 47 177.400 177.400 177.030 0.370 18547 11303 1 12 . 1 1 57 57 ILE CA C 47 64.400 64.400 64.647 -0.247 18547 11304 1 12 . 1 1 57 57 ILE CB C 47 39.500 39.500 37.473 2.027 18547 11305 1 12 . 1 1 57 57 ILE H H 47 8.610 8.610 7.622 0.988 18547 11306 1 12 . 1 1 58 58 ASN N N 48 112.100 112.100 115.976 -3.876 18547 11307 1 12 . 1 1 58 58 ASN HA H 48 3.780 3.780 4.572 -0.792 18547 11308 1 12 . 1 1 58 58 ASN C C 48 175.300 175.300 176.315 -1.015 18547 11309 1 12 . 1 1 58 58 ASN CA C 48 54.400 54.400 54.470 -0.070 18547 11310 1 12 . 1 1 58 58 ASN CB C 48 38.200 38.200 38.068 0.132 18547 11311 1 12 . 1 1 58 58 ASN H H 48 7.440 7.440 7.905 -0.465 18547 11312 1 12 . 1 1 59 59 ARG N N 49 115.600 115.600 118.767 -3.167 18547 11313 1 12 . 1 1 59 59 ARG HA H 49 4.120 4.120 4.102 0.018 18547 11314 1 12 . 1 1 59 59 ARG C C 49 174.700 174.700 177.009 -2.309 18547 11315 1 12 . 1 1 59 59 ARG CA C 49 55.900 55.900 57.788 -1.887 18547 11316 1 12 . 1 1 59 59 ARG CB C 49 29.900 29.900 30.186 -0.286 18547 11317 1 12 . 1 1 59 59 ARG H H 49 7.370 7.370 7.501 -0.131 18547 11318 1 12 . 1 1 60 60 TRP N N 50 112.500 112.500 115.117 -2.617 18547 11319 1 12 . 1 1 60 60 TRP HA H 50 4.860 4.860 4.849 0.011 18547 11320 1 12 . 1 1 60 60 TRP C C 50 173.400 173.400 174.291 -0.891 18547 11321 1 12 . 1 1 60 60 TRP CA C 50 55.800 55.800 55.957 -0.157 18547 11322 1 12 . 1 1 60 60 TRP CB C 50 31.500 31.500 30.750 0.750 18547 11323 1 12 . 1 1 60 60 TRP H H 50 6.860 6.860 7.545 -0.685 18547 11324 1 12 . 1 1 61 61 PHE N N 51 126.400 126.400 117.233 9.167 18547 11325 1 12 . 1 1 61 61 PHE HA H 51 4.690 4.690 4.601 0.089 18547 11326 1 12 . 1 1 61 61 PHE C C 51 173.000 173.000 173.383 -0.383 18547 11327 1 12 . 1 1 61 61 PHE CA C 51 55.000 55.000 56.718 -1.718 18547 11328 1 12 . 1 1 61 61 PHE CB C 51 37.600 37.600 41.209 -3.608 18547 11329 1 12 . 1 1 61 61 PHE H H 51 7.830 7.830 7.221 0.609 18547 11330 1 12 . 1 1 62 62 ILE N N 52 126.800 126.800 121.840 4.960 18547 11331 1 12 . 1 1 62 62 ILE HA H 52 3.760 3.760 4.001 -0.241 18547 11332 1 12 . 1 1 62 62 ILE C C 52 172.600 172.600 174.768 -2.168 18547 11333 1 12 . 1 1 62 62 ILE CA C 52 59.900 59.900 60.716 -0.816 18547 11334 1 12 . 1 1 62 62 ILE CB C 52 41.600 41.600 38.208 3.392 18547 11335 1 12 . 1 1 62 62 ILE H H 52 6.010 6.010 7.130 -1.120 18547 11336 1 12 . 1 1 63 63 GLU N N 53 124.400 124.400 128.724 -4.324 18547 11337 1 12 . 1 1 63 63 GLU HA H 53 3.850 3.850 4.282 -0.432 18547 11338 1 12 . 1 1 63 63 GLU CA C 53 54.800 54.800 53.925 0.875 18547 11339 1 12 . 1 1 63 63 GLU CB C 53 31.700 31.700 30.228 1.472 18547 11340 1 12 . 1 1 63 63 GLU H H 53 8.280 8.280 8.440 -0.160 18547 11341 1 12 . 1 1 64 64 PRO HA H 54 4.920 4.920 4.800 0.120 18547 11342 1 12 . 1 1 64 64 PRO C C 54 175.500 175.500 176.394 -0.894 18547 11343 1 12 . 1 1 64 64 PRO CA C 54 62.000 62.000 62.594 -0.595 18547 11344 1 12 . 1 1 64 64 PRO CB C 54 31.800 31.800 31.843 -0.043 18547 11345 1 12 . 1 1 65 65 LYS N N 55 120.200 120.200 125.896 -5.696 18547 11346 1 12 . 1 1 65 65 LYS HA H 55 4.780 4.780 4.456 0.324 18547 11347 1 12 . 1 1 65 65 LYS C C 55 176.000 176.000 176.514 -0.514 18547 11348 1 12 . 1 1 65 65 LYS CA C 55 54.200 54.200 56.128 -1.928 18547 11349 1 12 . 1 1 65 65 LYS CB C 55 35.300 35.300 33.883 1.417 18547 11350 1 12 . 1 1 65 65 LYS H H 55 8.370 8.370 8.594 -0.224 18547 11351 1 12 . 1 1 66 66 GLY N N 56 109.400 109.400 109.791 -0.391 18547 11352 1 12 . 1 1 66 66 GLY C C 56 171.400 171.400 174.199 -2.799 18547 11353 1 12 . 1 1 66 66 GLY CA C 56 45.400 45.400 44.898 0.502 18547 11354 1 12 . 1 1 66 66 GLY H H 56 8.640 8.640 8.027 0.613 18547 11355 1 12 . 1 1 67 67 ASP N N 57 123.800 123.800 122.141 1.659 18547 11356 1 12 . 1 1 67 67 ASP HA H 57 4.900 4.900 4.417 0.483 18547 11357 1 12 . 1 1 67 67 ASP C C 57 175.600 175.600 177.187 -1.587 18547 11358 1 12 . 1 1 67 67 ASP CA C 57 52.400 52.400 56.135 -3.735 18547 11359 1 12 . 1 1 67 67 ASP CB C 57 40.700 40.700 41.124 -0.424 18547 11360 1 12 . 1 1 67 67 ASP H H 57 7.790 7.790 8.453 -0.663 18547 11361 1 12 . 1 1 68 68 LEU N N 58 122.800 122.800 112.767 10.033 18547 11362 1 12 . 1 1 68 68 LEU HA H 58 4.270 4.270 3.953 0.317 18547 11363 1 12 . 1 1 68 68 LEU C C 58 173.700 173.700 175.618 -1.918 18547 11364 1 12 . 1 1 68 68 LEU CA C 58 54.500 54.500 55.721 -1.221 18547 11365 1 12 . 1 1 68 68 LEU CB C 58 38.300 38.300 40.680 -2.380 18547 11366 1 12 . 1 1 68 68 LEU H H 58 8.330 8.330 7.720 0.610 18547 11367 1 12 . 1 1 69 69 ARG N N 59 121.800 121.800 117.872 3.928 18547 11368 1 12 . 1 1 69 69 ARG HA H 59 4.710 4.710 4.577 0.133 18547 11369 1 12 . 1 1 69 69 ARG CA C 59 54.100 54.100 54.372 -0.272 18547 11370 1 12 . 1 1 69 69 ARG CB C 59 31.800 31.800 31.653 0.147 18547 11371 1 12 . 1 1 69 69 ARG H H 59 8.120 8.120 7.725 0.395 18547 11372 1 12 . 1 1 70 70 GLU N N 60 122.800 122.800 122.347 0.453 18547 11373 1 12 . 1 1 70 70 GLU HA H 60 3.870 3.870 4.012 -0.142 18547 11374 1 12 . 1 1 70 70 GLU C C 60 177.200 177.200 177.264 -0.064 18547 11375 1 12 . 1 1 70 70 GLU CA C 60 60.000 60.000 58.019 1.981 18547 11376 1 12 . 1 1 70 70 GLU CB C 60 30.200 30.200 28.907 1.293 18547 11377 1 12 . 1 1 70 70 GLU H H 60 9.130 9.130 8.686 0.444 18547 11378 1 12 . 1 1 71 71 GLY N N 61 117.100 117.100 115.010 2.090 18547 11379 1 12 . 1 1 71 71 GLY C C 61 174.900 174.900 174.313 0.587 18547 11380 1 12 . 1 1 71 71 GLY CA C 61 45.600 45.600 44.641 0.959 18547 11381 1 12 . 1 1 71 71 GLY H H 61 8.710 8.710 8.426 0.284 18547 11382 1 12 . 1 1 72 72 GLY N N 62 110.300 110.300 110.511 -0.211 18547 11383 1 12 . 1 1 72 72 GLY C C 62 174.200 174.200 172.258 1.942 18547 11384 1 12 . 1 1 72 72 GLY CA C 62 43.400 43.400 43.755 -0.355 18547 11385 1 12 . 1 1 72 72 GLY H H 62 8.760 8.760 8.240 0.520 18547 11386 1 12 . 1 1 73 73 ASN N N 63 117.800 117.800 116.009 1.791 18547 11387 1 12 . 1 1 73 73 ASN HA H 63 5.490 5.490 5.242 0.248 18547 11388 1 12 . 1 1 73 73 ASN C C 63 171.400 171.400 174.151 -2.751 18547 11389 1 12 . 1 1 73 73 ASN CA C 63 52.900 52.900 52.363 0.537 18547 11390 1 12 . 1 1 73 73 ASN CB C 63 41.500 41.500 42.129 -0.629 18547 11391 1 12 . 1 1 73 73 ASN H H 63 8.890 8.890 8.362 0.528 18547 11392 1 12 . 1 1 74 74 PHE N N 64 113.500 113.500 117.206 -3.706 18547 11393 1 12 . 1 1 74 74 PHE HA H 64 5.500 5.500 5.842 -0.342 18547 11394 1 12 . 1 1 74 74 PHE C C 64 173.200 173.200 174.386 -1.186 18547 11395 1 12 . 1 1 74 74 PHE CA C 64 55.900 55.900 54.947 0.953 18547 11396 1 12 . 1 1 74 74 PHE CB C 64 44.600 44.600 42.287 2.313 18547 11397 1 12 . 1 1 74 74 PHE H H 64 8.700 8.700 8.869 -0.169 18547 11398 1 12 . 1 1 75 75 ALA N N 65 122.200 122.200 119.930 2.270 18547 11399 1 12 . 1 1 75 75 ALA HA H 65 4.350 4.350 4.383 -0.033 18547 11400 1 12 . 1 1 75 75 ALA C C 65 176.000 176.000 174.978 1.022 18547 11401 1 12 . 1 1 75 75 ALA CA C 65 52.500 52.500 51.891 0.609 18547 11402 1 12 . 1 1 75 75 ALA CB C 65 21.800 21.800 21.404 0.396 18547 11403 1 12 . 1 1 75 75 ALA H H 65 8.690 8.690 8.194 0.496 18547 11404 1 12 . 1 1 76 76 LEU N N 66 123.800 123.800 121.958 1.842 18547 11405 1 12 . 1 1 76 76 LEU HA H 66 4.520 4.520 4.617 -0.097 18547 11406 1 12 . 1 1 76 76 LEU C C 66 175.800 175.800 176.920 -1.120 18547 11407 1 12 . 1 1 76 76 LEU CA C 66 52.500 52.500 53.392 -0.891 18547 11408 1 12 . 1 1 76 76 LEU CB C 66 42.400 42.400 43.268 -0.868 18547 11409 1 12 . 1 1 76 76 LEU H H 66 8.350 8.350 8.407 -0.057 18547 11410 1 12 . 1 1 77 77 GLN N N 67 127.400 127.400 119.140 8.260 18547 11411 1 12 . 1 1 77 77 GLN HA H 67 3.900 3.900 4.322 -0.422 18547 11412 1 12 . 1 1 77 77 GLN C C 67 176.600 176.600 176.407 0.193 18547 11413 1 12 . 1 1 77 77 GLN CA C 67 57.800 57.800 55.681 2.119 18547 11414 1 12 . 1 1 77 77 GLN CB C 67 28.000 28.000 29.866 -1.866 18547 11415 1 12 . 1 1 77 77 GLN H H 67 8.590 8.590 8.368 0.222 18547 11416 1 12 . 1 1 78 78 GLY N N 68 114.800 114.800 114.209 0.591 18547 11417 1 12 . 1 1 78 78 GLY C C 68 173.700 173.700 174.020 -0.320 18547 11418 1 12 . 1 1 78 78 GLY CA C 68 45.700 45.700 45.436 0.264 18547 11419 1 12 . 1 1 78 78 GLY H H 68 8.920 8.920 8.884 0.036 18547 11420 1 12 . 1 1 79 79 ASN N N 69 124.000 124.000 117.033 6.967 18547 11421 1 12 . 1 1 79 79 ASN HA H 69 4.600 4.600 4.594 0.006 18547 11422 1 12 . 1 1 79 79 ASN C C 69 173.300 173.300 172.632 0.668 18547 11423 1 12 . 1 1 79 79 ASN CA C 69 52.900 52.900 52.892 0.008 18547 11424 1 12 . 1 1 79 79 ASN CB C 69 41.600 41.600 39.200 2.400 18547 11425 1 12 . 1 1 79 79 ASN H H 69 8.360 8.360 8.092 0.268 18547 11426 1 12 . 1 1 80 80 ALA N N 70 127.200 127.200 119.912 7.288 18547 11427 1 12 . 1 1 80 80 ALA HA H 70 4.170 4.170 4.398 -0.228 18547 11428 1 12 . 1 1 80 80 ALA C C 70 174.500 174.500 174.852 -0.352 18547 11429 1 12 . 1 1 80 80 ALA CA C 70 52.500 52.500 50.242 2.258 18547 11430 1 12 . 1 1 80 80 ALA CB C 70 18.600 18.600 20.740 -2.140 18547 11431 1 12 . 1 1 80 80 ALA H H 70 8.930 8.930 7.693 1.237 18547 11432 1 12 . 1 1 81 81 SER N N 71 111.000 111.000 112.235 -1.235 18547 11433 1 12 . 1 1 81 81 SER HA H 71 4.170 4.170 4.287 -0.117 18547 11434 1 12 . 1 1 81 81 SER C C 71 170.900 170.900 172.373 -1.473 18547 11435 1 12 . 1 1 81 81 SER CA C 71 56.300 56.300 57.008 -0.708 18547 11436 1 12 . 1 1 81 81 SER CB C 71 66.600 66.600 65.913 0.687 18547 11437 1 12 . 1 1 81 81 SER H H 71 7.980 7.980 8.086 -0.106 18547 11438 1 12 . 1 1 82 82 GLY N N 72 102.700 102.700 107.238 -4.538 18547 11439 1 12 . 1 1 82 82 GLY C C 72 171.700 171.700 171.542 0.158 18547 11440 1 12 . 1 1 82 82 GLY CA C 72 46.200 46.200 44.641 1.559 18547 11441 1 12 . 1 1 82 82 GLY H H 72 6.940 6.940 7.347 -0.407 18547 11442 1 12 . 1 1 83 83 ASP N N 73 117.900 117.900 122.782 -4.882 18547 11443 1 12 . 1 1 83 83 ASP HA H 73 5.430 5.430 4.751 0.679 18547 11444 1 12 . 1 1 83 83 ASP C C 73 176.100 176.100 176.805 -0.705 18547 11445 1 12 . 1 1 83 83 ASP CA C 73 52.700 52.700 54.717 -2.017 18547 11446 1 12 . 1 1 83 83 ASP CB C 73 43.600 43.600 42.345 1.255 18547 11447 1 12 . 1 1 83 83 ASP H H 73 8.770 8.770 8.389 0.381 18547 11448 1 12 . 1 1 84 84 ILE N N 74 120.200 120.200 123.245 -3.045 18547 11449 1 12 . 1 1 84 84 ILE HA H 74 4.530 4.530 4.286 0.244 18547 11450 1 12 . 1 1 84 84 ILE C C 74 175.600 175.600 176.308 -0.708 18547 11451 1 12 . 1 1 84 84 ILE CA C 74 61.700 61.700 59.603 2.097 18547 11452 1 12 . 1 1 84 84 ILE CB C 74 36.700 36.700 35.258 1.442 18547 11453 1 12 . 1 1 84 84 ILE H H 74 8.060 8.060 8.508 -0.448 18547 11454 1 12 . 1 1 85 85 LEU N N 75 130.400 130.400 127.928 2.472 18547 11455 1 12 . 1 1 85 85 LEU HA H 75 4.330 4.330 4.259 0.071 18547 11456 1 12 . 1 1 85 85 LEU C C 75 178.100 178.100 177.271 0.829 18547 11457 1 12 . 1 1 85 85 LEU CA C 75 57.000 57.000 57.251 -0.251 18547 11458 1 12 . 1 1 85 85 LEU CB C 75 42.000 42.000 42.505 -0.505 18547 11459 1 12 . 1 1 85 85 LEU H H 75 8.710 8.710 8.292 0.418 18547 11460 1 12 . 1 1 86 86 ARG N N 76 115.700 115.700 116.626 -0.926 18547 11461 1 12 . 1 1 86 86 ARG HA H 76 4.840 4.840 4.679 0.161 18547 11462 1 12 . 1 1 86 86 ARG C C 76 174.900 174.900 173.509 1.391 18547 11463 1 12 . 1 1 86 86 ARG CA C 76 54.700 54.700 55.567 -0.867 18547 11464 1 12 . 1 1 86 86 ARG CB C 76 33.900 33.900 33.307 0.593 18547 11465 1 12 . 1 1 86 86 ARG H H 76 8.130 8.130 7.984 0.146 18547 11466 1 12 . 1 1 87 87 CYS N N 77 127.100 127.100 124.919 2.181 18547 11467 1 12 . 1 1 87 87 CYS HA H 77 5.130 5.130 4.728 0.402 18547 11468 1 12 . 1 1 87 87 CYS C C 77 171.700 171.700 173.882 -2.182 18547 11469 1 12 . 1 1 87 87 CYS CA C 77 54.600 54.600 58.053 -3.454 18547 11470 1 12 . 1 1 87 87 CYS CB C 77 33.000 33.000 31.096 1.904 18547 11471 1 12 . 1 1 87 87 CYS H H 77 10.630 10.630 8.929 1.701 18547 11472 1 12 . 1 1 88 88 GLU N N 78 128.200 128.200 125.139 3.061 18547 11473 1 12 . 1 1 88 88 GLU HA H 78 4.950 4.950 4.889 0.061 18547 11474 1 12 . 1 1 88 88 GLU CA C 78 52.100 52.100 52.413 -0.313 18547 11475 1 12 . 1 1 88 88 GLU CB C 78 30.500 30.500 31.983 -1.483 18547 11476 1 12 . 1 1 88 88 GLU H H 78 9.460 9.460 9.170 0.290 18547 11477 1 12 . 1 1 89 89 PRO HA H 79 2.780 2.780 3.661 -0.881 18547 11478 1 12 . 1 1 89 89 PRO CA C 79 60.500 60.500 61.355 -0.855 18547 11479 1 12 . 1 1 89 89 PRO CB C 79 31.600 31.600 31.270 0.330 18547 11480 1 12 . 1 1 90 90 PRO HA H 80 2.250 2.250 2.941 -0.691 18547 11481 1 12 . 1 1 90 90 PRO C C 80 171.400 171.400 175.572 -4.172 18547 11482 1 12 . 1 1 90 90 PRO CA C 80 63.700 63.700 61.381 2.319 18547 11483 1 12 . 1 1 90 90 PRO CB C 80 30.500 30.500 32.187 -1.687 18547 11484 1 12 . 1 1 91 91 ARG N N 81 113.700 113.700 119.686 -5.986 18547 11485 1 12 . 1 1 91 91 ARG HA H 81 4.700 4.700 4.257 0.443 18547 11486 1 12 . 1 1 91 91 ARG C C 81 176.500 176.500 175.414 1.086 18547 11487 1 12 . 1 1 91 91 ARG CA C 81 57.400 57.400 57.249 0.151 18547 11488 1 12 . 1 1 91 91 ARG CB C 81 34.200 34.200 31.612 2.588 18547 11489 1 12 . 1 1 91 91 ARG H H 81 7.640 7.640 7.718 -0.078 18547 11490 1 12 . 1 1 92 92 ARG N N 82 121.000 121.000 113.346 7.654 18547 11491 1 12 . 1 1 92 92 ARG HA H 82 5.700 5.700 5.446 0.254 18547 11492 1 12 . 1 1 92 92 ARG C C 82 172.700 172.700 174.227 -1.527 18547 11493 1 12 . 1 1 92 92 ARG CA C 82 55.900 55.900 54.728 1.172 18547 11494 1 12 . 1 1 92 92 ARG CB C 82 34.100 34.100 34.082 0.018 18547 11495 1 12 . 1 1 92 92 ARG H H 82 7.710 7.710 7.889 -0.179 18547 11496 1 12 . 1 1 93 93 LEU N N 83 130.800 130.800 117.307 13.493 18547 11497 1 12 . 1 1 93 93 LEU HA H 83 5.250 5.250 5.328 -0.078 18547 11498 1 12 . 1 1 93 93 LEU C C 83 174.000 174.000 174.878 -0.878 18547 11499 1 12 . 1 1 93 93 LEU CA C 83 53.700 53.700 53.998 -0.298 18547 11500 1 12 . 1 1 93 93 LEU CB C 83 47.100 47.100 45.214 1.886 18547 11501 1 12 . 1 1 93 93 LEU H H 83 9.080 9.080 8.991 0.089 18547 11502 1 12 . 1 1 94 94 THR N N 84 124.200 124.200 121.129 3.071 18547 11503 1 12 . 1 1 94 94 THR HA H 84 5.340 5.340 5.096 0.244 18547 11504 1 12 . 1 1 94 94 THR C C 84 174.100 174.100 174.469 -0.369 18547 11505 1 12 . 1 1 94 94 THR CA C 84 62.700 62.700 62.412 0.288 18547 11506 1 12 . 1 1 94 94 THR CB C 84 69.600 69.600 68.926 0.674 18547 11507 1 12 . 1 1 94 94 THR H H 84 9.310 9.310 8.492 0.818 18547 11508 1 12 . 1 1 95 95 ILE N N 85 121.600 121.600 123.077 -1.477 18547 11509 1 12 . 1 1 95 95 ILE HA H 85 5.630 5.630 5.080 0.550 18547 11510 1 12 . 1 1 95 95 ILE C C 85 175.000 175.000 174.662 0.338 18547 11511 1 12 . 1 1 95 95 ILE CA C 85 59.300 59.300 58.501 0.799 18547 11512 1 12 . 1 1 95 95 ILE CB C 85 40.900 40.900 41.568 -0.668 18547 11513 1 12 . 1 1 95 95 ILE H H 85 9.700 9.700 8.620 1.080 18547 11514 1 12 . 1 1 96 96 SER N N 86 117.900 117.900 114.357 3.543 18547 11515 1 12 . 1 1 96 96 SER HA H 86 5.270 5.270 4.827 0.443 18547 11516 1 12 . 1 1 96 96 SER C C 86 172.200 172.200 173.901 -1.701 18547 11517 1 12 . 1 1 96 96 SER CA C 86 57.600 57.600 57.427 0.173 18547 11518 1 12 . 1 1 96 96 SER CB C 86 65.700 65.700 65.918 -0.218 18547 11519 1 12 . 1 1 96 96 SER H H 86 9.290 9.290 8.492 0.798 18547 11520 1 12 . 1 1 97 97 TRP N N 87 120.000 120.000 121.970 -1.970 18547 11521 1 12 . 1 1 97 97 TRP HA H 87 5.130 5.130 4.989 0.141 18547 11522 1 12 . 1 1 97 97 TRP C C 87 175.500 175.500 173.595 1.905 18547 11523 1 12 . 1 1 97 97 TRP CA C 87 57.900 57.900 57.035 0.865 18547 11524 1 12 . 1 1 97 97 TRP CB C 87 31.500 31.500 32.052 -0.552 18547 11525 1 12 . 1 1 97 97 TRP H H 87 7.790 7.790 8.484 -0.694 18547 11526 1 12 . 1 1 98 98 VAL N N 88 132.200 132.200 129.612 2.588 18547 11527 1 12 . 1 1 98 98 VAL HA H 88 4.460 4.460 4.334 0.126 18547 11528 1 12 . 1 1 98 98 VAL C C 88 175.100 175.100 174.162 0.938 18547 11529 1 12 . 1 1 98 98 VAL CA C 88 62.000 62.000 61.721 0.279 18547 11530 1 12 . 1 1 98 98 VAL CB C 88 32.500 32.500 31.008 1.492 18547 11531 1 12 . 1 1 98 98 VAL H H 88 9.620 9.620 8.499 1.121 18547 11532 1 12 . 1 1 99 99 TYR N N 89 130.300 130.300 129.066 1.234 18547 11533 1 12 . 1 1 99 99 TYR HA H 89 4.440 4.440 4.596 -0.156 18547 11534 1 12 . 1 1 99 99 TYR C C 89 173.900 173.900 175.123 -1.223 18547 11535 1 12 . 1 1 99 99 TYR CA C 89 56.800 56.800 54.788 2.012 18547 11536 1 12 . 1 1 99 99 TYR CB C 89 42.100 42.100 40.897 1.203 18547 11537 1 12 . 1 1 99 99 TYR H H 89 9.670 9.670 8.345 1.325 18547 11538 1 12 . 1 1 100 100 GLU N N 90 127.100 127.100 127.907 -0.807 18547 11539 1 12 . 1 1 100 100 GLU HA H 90 3.940 3.940 4.264 -0.324 18547 11540 1 12 . 1 1 100 100 GLU C C 90 176.700 176.700 176.712 -0.012 18547 11541 1 12 . 1 1 100 100 GLU CA C 90 58.300 58.300 57.755 0.545 18547 11542 1 12 . 1 1 100 100 GLU CB C 90 29.200 29.200 29.996 -0.796 18547 11543 1 12 . 1 1 100 100 GLU H H 90 8.080 8.080 9.337 -1.257 18547 11544 1 12 . 1 1 101 101 GLY N N 91 113.100 113.100 112.551 0.549 18547 11545 1 12 . 1 1 101 101 GLY C C 91 173.900 173.900 173.925 -0.025 18547 11546 1 12 . 1 1 101 101 GLY CA C 91 45.200 45.200 44.798 0.402 18547 11547 1 12 . 1 1 101 101 GLY H H 91 8.850 8.850 8.703 0.147 18547 11548 1 12 . 1 1 102 102 LYS N N 92 120.100 120.100 122.984 -2.884 18547 11549 1 12 . 1 1 102 102 LYS HA H 92 4.990 4.990 4.723 0.267 18547 11550 1 12 . 1 1 102 102 LYS CA C 92 52.500 52.500 53.395 -0.895 18547 11551 1 12 . 1 1 102 102 LYS CB C 92 33.200 33.200 32.366 0.834 18547 11552 1 12 . 1 1 102 102 LYS H H 92 8.270 8.270 7.599 0.671 18547 11553 1 12 . 1 1 103 103 PRO HA H 93 4.620 4.620 4.370 0.251 18547 11554 1 12 . 1 1 103 103 PRO C C 93 176.700 176.700 176.128 0.572 18547 11555 1 12 . 1 1 103 103 PRO CA C 93 62.400 62.400 62.859 -0.459 18547 11556 1 12 . 1 1 103 103 PRO CB C 93 31.400 31.400 32.196 -0.796 18547 11557 1 12 . 1 1 104 104 ASP N N 94 124.500 124.500 123.506 0.994 18547 11558 1 12 . 1 1 104 104 ASP HA H 94 4.860 4.860 4.961 -0.101 18547 11559 1 12 . 1 1 104 104 ASP C C 94 177.100 177.100 176.939 0.161 18547 11560 1 12 . 1 1 104 104 ASP CA C 94 55.900 55.900 55.827 0.073 18547 11561 1 12 . 1 1 104 104 ASP CB C 94 40.500 40.500 41.060 -0.560 18547 11562 1 12 . 1 1 104 104 ASP H H 94 8.850 8.850 8.627 0.223 18547 11563 1 12 . 1 1 105 105 SER N N 95 118.600 118.600 120.448 -1.848 18547 11564 1 12 . 1 1 105 105 SER HA H 95 5.280 5.280 4.996 0.284 18547 11565 1 12 . 1 1 105 105 SER C C 95 173.700 173.700 173.129 0.571 18547 11566 1 12 . 1 1 105 105 SER CA C 95 57.900 57.900 57.285 0.615 18547 11567 1 12 . 1 1 105 105 SER CB C 95 65.600 65.600 66.216 -0.616 18547 11568 1 12 . 1 1 105 105 SER H H 95 9.260 9.260 8.886 0.374 18547 11569 1 12 . 1 1 106 106 GLU N N 96 124.100 124.100 121.491 2.609 18547 11570 1 12 . 1 1 106 106 GLU HA H 96 5.180 5.180 4.761 0.419 18547 11571 1 12 . 1 1 106 106 GLU C C 96 172.400 172.400 174.730 -2.330 18547 11572 1 12 . 1 1 106 106 GLU CA C 96 57.200 57.200 55.051 2.149 18547 11573 1 12 . 1 1 106 106 GLU CB C 96 36.100 36.100 32.622 3.478 18547 11574 1 12 . 1 1 106 106 GLU H H 96 8.620 8.620 8.176 0.444 18547 11575 1 12 . 1 1 107 107 VAL N N 97 128.100 128.100 126.813 1.287 18547 11576 1 12 . 1 1 107 107 VAL HA H 97 4.770 4.770 4.178 0.592 18547 11577 1 12 . 1 1 107 107 VAL C C 97 173.100 173.100 174.101 -1.001 18547 11578 1 12 . 1 1 107 107 VAL CA C 97 60.100 60.100 61.428 -1.328 18547 11579 1 12 . 1 1 107 107 VAL CB C 97 34.200 34.200 33.180 1.020 18547 11580 1 12 . 1 1 107 107 VAL H H 97 9.180 9.180 8.437 0.743 18547 11581 1 12 . 1 1 108 108 GLU N N 98 126.200 126.200 127.549 -1.349 18547 11582 1 12 . 1 1 108 108 GLU HA H 98 5.580 5.580 4.896 0.684 18547 11583 1 12 . 1 1 108 108 GLU C C 98 172.100 172.100 173.806 -1.706 18547 11584 1 12 . 1 1 108 108 GLU CA C 98 54.200 54.200 54.616 -0.416 18547 11585 1 12 . 1 1 108 108 GLU CB C 98 35.200 35.200 33.415 1.785 18547 11586 1 12 . 1 1 108 108 GLU H H 98 9.300 9.300 8.451 0.849 18547 11587 1 12 . 1 1 109 109 LEU N N 99 128.600 128.600 127.634 0.966 18547 11588 1 12 . 1 1 109 109 LEU HA H 99 5.080 5.080 5.021 0.059 18547 11589 1 12 . 1 1 109 109 LEU C C 99 175.100 175.100 174.398 0.702 18547 11590 1 12 . 1 1 109 109 LEU CA C 99 52.700 52.700 53.289 -0.589 18547 11591 1 12 . 1 1 109 109 LEU CB C 99 46.400 46.400 45.092 1.308 18547 11592 1 12 . 1 1 109 109 LEU H H 99 9.330 9.330 8.711 0.619 18547 11593 1 12 . 1 1 110 110 ARG N N 100 124.700 124.700 127.238 -2.538 18547 11594 1 12 . 1 1 110 110 ARG HA H 100 5.390 5.390 4.662 0.728 18547 11595 1 12 . 1 1 110 110 ARG C C 100 175.400 175.400 174.144 1.256 18547 11596 1 12 . 1 1 110 110 ARG CA C 100 54.600 54.600 55.316 -0.716 18547 11597 1 12 . 1 1 110 110 ARG CB C 100 34.100 34.100 32.700 1.400 18547 11598 1 12 . 1 1 110 110 ARG H H 100 9.430 9.430 8.677 0.753 18547 11599 1 12 . 1 1 111 111 LEU N N 101 122.900 122.900 128.498 -5.598 18547 11600 1 12 . 1 1 111 111 LEU HA H 101 5.620 5.620 5.740 -0.120 18547 11601 1 12 . 1 1 111 111 LEU C C 101 177.100 177.100 176.185 0.915 18547 11602 1 12 . 1 1 111 111 LEU CA C 101 53.000 53.000 53.745 -0.745 18547 11603 1 12 . 1 1 111 111 LEU CB C 101 44.900 44.900 43.873 1.027 18547 11604 1 12 . 1 1 111 111 LEU H H 101 9.120 9.120 8.917 0.203 18547 11605 1 12 . 1 1 112 112 SER N N 102 113.800 113.800 116.757 -2.957 18547 11606 1 12 . 1 1 112 112 SER HA H 102 4.690 4.690 4.638 0.052 18547 11607 1 12 . 1 1 112 112 SER C C 102 172.700 172.700 172.526 0.174 18547 11608 1 12 . 1 1 112 112 SER CA C 102 57.000 57.000 56.819 0.181 18547 11609 1 12 . 1 1 112 112 SER CB C 102 65.700 65.700 65.956 -0.256 18547 11610 1 12 . 1 1 112 112 SER H H 102 8.770 8.770 8.477 0.293 18547 11611 1 12 . 1 1 113 113 GLU N N 103 123.400 123.400 120.959 2.441 18547 11612 1 12 . 1 1 113 113 GLU HA H 103 4.440 4.440 4.591 -0.151 18547 11613 1 12 . 1 1 113 113 GLU C C 103 176.600 176.600 175.741 0.859 18547 11614 1 12 . 1 1 113 113 GLU CA C 103 57.500 57.500 55.885 1.615 18547 11615 1 12 . 1 1 113 113 GLU CB C 103 30.200 30.200 30.975 -0.775 18547 11616 1 12 . 1 1 113 113 GLU H H 103 9.200 9.200 8.446 0.754 18547 11617 1 12 . 1 1 114 114 GLU N N 104 126.500 126.500 128.085 -1.585 18547 11618 1 12 . 1 1 114 114 GLU HA H 104 4.450 4.450 4.536 -0.086 18547 11619 1 12 . 1 1 114 114 GLU C C 104 175.600 175.600 176.164 -0.564 18547 11620 1 12 . 1 1 114 114 GLU CA C 104 55.700 55.700 55.864 -0.164 18547 11621 1 12 . 1 1 114 114 GLU CB C 104 31.300 31.300 31.101 0.199 18547 11622 1 12 . 1 1 114 114 GLU H H 104 8.110 8.110 8.464 -0.354 18547 11623 1 12 . 1 1 115 115 GLY N N 105 118.000 118.000 115.941 2.059 18547 11624 1 12 . 1 1 115 115 GLY C C 105 174.700 174.700 174.595 0.105 18547 11625 1 12 . 1 1 115 115 GLY CA C 105 47.100 47.100 47.343 -0.243 18547 11626 1 12 . 1 1 115 115 GLY H H 105 9.030 9.030 8.763 0.267 18547 11627 1 12 . 1 1 116 116 ASP N N 106 126.200 126.200 126.260 -0.060 18547 11628 1 12 . 1 1 116 116 ASP HA H 106 4.750 4.750 4.825 -0.075 18547 11629 1 12 . 1 1 116 116 ASP C C 106 175.600 175.600 176.446 -0.846 18547 11630 1 12 . 1 1 116 116 ASP CA C 106 54.300 54.300 53.611 0.689 18547 11631 1 12 . 1 1 116 116 ASP CB C 106 40.800 40.800 41.755 -0.955 18547 11632 1 12 . 1 1 116 116 ASP H H 106 8.800 8.800 8.671 0.129 18547 11633 1 12 . 1 1 117 117 GLY N N 107 109.500 109.500 106.833 2.667 18547 11634 1 12 . 1 1 117 117 GLY C C 107 174.400 174.400 173.035 1.365 18547 11635 1 12 . 1 1 117 117 GLY CA C 107 44.800 44.800 44.527 0.273 18547 11636 1 12 . 1 1 117 117 GLY H H 107 8.040 8.040 7.869 0.171 18547 11637 1 12 . 1 1 118 118 THR N N 108 120.400 120.400 114.796 5.604 18547 11638 1 12 . 1 1 118 118 THR HA H 108 4.970 4.970 5.005 -0.035 18547 11639 1 12 . 1 1 118 118 THR C C 108 173.000 173.000 172.762 0.238 18547 11640 1 12 . 1 1 118 118 THR CA C 108 63.500 63.500 61.880 1.620 18547 11641 1 12 . 1 1 118 118 THR CB C 108 73.000 73.000 72.497 0.503 18547 11642 1 12 . 1 1 118 118 THR H H 108 9.010 9.010 8.525 0.484 18547 11643 1 12 . 1 1 119 119 LEU N N 109 129.000 129.000 129.096 -0.096 18547 11644 1 12 . 1 1 119 119 LEU HA H 109 4.790 4.790 5.314 -0.524 18547 11645 1 12 . 1 1 119 119 LEU C C 109 173.500 173.500 174.547 -1.047 18547 11646 1 12 . 1 1 119 119 LEU CA C 109 54.300 54.300 53.667 0.633 18547 11647 1 12 . 1 1 119 119 LEU CB C 109 42.900 42.900 43.644 -0.744 18547 11648 1 12 . 1 1 119 119 LEU H H 109 9.410 9.410 8.391 1.019 18547 11649 1 12 . 1 1 120 120 LEU N N 110 132.200 132.200 129.776 2.424 18547 11650 1 12 . 1 1 120 120 LEU HA H 110 4.820 4.820 4.959 -0.139 18547 11651 1 12 . 1 1 120 120 LEU C C 110 174.100 174.100 174.884 -0.784 18547 11652 1 12 . 1 1 120 120 LEU CA C 110 54.900 54.900 53.696 1.204 18547 11653 1 12 . 1 1 120 120 LEU CB C 110 45.300 45.300 43.802 1.498 18547 11654 1 12 . 1 1 120 120 LEU H H 110 9.430 9.430 9.070 0.360 18547 11655 1 12 . 1 1 121 121 GLU N N 111 125.800 125.800 126.946 -1.146 18547 11656 1 12 . 1 1 121 121 GLU HA H 111 5.530 5.530 5.008 0.522 18547 11657 1 12 . 1 1 121 121 GLU C C 111 173.500 173.500 175.157 -1.657 18547 11658 1 12 . 1 1 121 121 GLU CA C 111 54.500 54.500 54.672 -0.172 18547 11659 1 12 . 1 1 121 121 GLU CB C 111 33.100 33.100 31.044 2.056 18547 11660 1 12 . 1 1 121 121 GLU H H 111 8.970 8.970 8.782 0.188 18547 11661 1 12 . 1 1 122 122 LEU N N 112 127.300 127.300 128.549 -1.249 18547 11662 1 12 . 1 1 122 122 LEU HA H 112 5.030 5.030 4.812 0.218 18547 11663 1 12 . 1 1 122 122 LEU C C 112 173.700 173.700 174.927 -1.227 18547 11664 1 12 . 1 1 122 122 LEU CA C 112 53.200 53.200 53.587 -0.387 18547 11665 1 12 . 1 1 122 122 LEU CB C 112 45.400 45.400 43.444 1.956 18547 11666 1 12 . 1 1 122 122 LEU H H 112 8.950 8.950 8.708 0.242 18547 11667 1 12 . 1 1 123 123 GLU N N 113 127.900 127.900 128.989 -1.089 18547 11668 1 12 . 1 1 123 123 GLU HA H 113 5.750 5.750 4.899 0.851 18547 11669 1 12 . 1 1 123 123 GLU C C 113 174.200 174.200 174.593 -0.393 18547 11670 1 12 . 1 1 123 123 GLU CA C 113 52.900 52.900 54.607 -1.707 18547 11671 1 12 . 1 1 123 123 GLU CB C 113 33.300 33.300 31.658 1.642 18547 11672 1 12 . 1 1 123 123 GLU H H 113 9.350 9.350 8.796 0.554 18547 11673 1 12 . 1 1 124 124 HIS N N 114 128.200 128.200 127.862 0.338 18547 11674 1 12 . 1 1 124 124 HIS HA H 114 5.240 5.240 5.143 0.097 18547 11675 1 12 . 1 1 124 124 HIS C C 114 173.900 173.900 173.106 0.794 18547 11676 1 12 . 1 1 124 124 HIS CA C 114 54.300 54.300 54.200 0.100 18547 11677 1 12 . 1 1 124 124 HIS CB C 114 34.600 34.600 32.695 1.905 18547 11678 1 12 . 1 1 124 124 HIS H H 114 8.770 8.770 8.480 0.290 18547 11679 1 12 . 1 1 125 125 ALA N N 115 128.600 128.600 130.820 -2.220 18547 11680 1 12 . 1 1 125 125 ALA HA H 115 5.150 5.150 5.286 -0.136 18547 11681 1 12 . 1 1 125 125 ALA C C 115 175.400 175.400 175.701 -0.301 18547 11682 1 12 . 1 1 125 125 ALA CA C 115 50.100 50.100 50.369 -0.269 18547 11683 1 12 . 1 1 125 125 ALA CB C 115 22.500 22.500 21.928 0.572 18547 11684 1 12 . 1 1 125 125 ALA H H 115 9.360 9.360 8.656 0.704 18547 11685 1 12 . 1 1 126 126 THR N N 116 115.800 115.800 117.612 -1.812 18547 11686 1 12 . 1 1 126 126 THR HA H 116 4.960 4.960 4.736 0.224 18547 11687 1 12 . 1 1 126 126 THR C C 116 172.200 172.200 174.118 -1.918 18547 11688 1 12 . 1 1 126 126 THR CA C 116 58.800 58.800 60.592 -1.792 18547 11689 1 12 . 1 1 126 126 THR CB C 116 69.200 69.200 71.478 -2.278 18547 11690 1 12 . 1 1 126 126 THR H H 116 8.760 8.760 8.452 0.308 18547 11691 1 12 . 1 1 127 127 THR N N 117 116.000 116.000 114.809 1.191 18547 11692 1 12 . 1 1 127 127 THR HA H 117 4.390 4.390 4.429 -0.039 18547 11693 1 12 . 1 1 127 127 THR C C 117 174.400 174.400 174.328 0.072 18547 11694 1 12 . 1 1 127 127 THR CA C 117 62.900 62.900 62.438 0.462 18547 11695 1 12 . 1 1 127 127 THR CB C 117 68.800 68.800 68.829 -0.029 18547 11696 1 12 . 1 1 127 127 THR H H 117 8.460 8.460 8.544 -0.084 18547 11697 1 12 . 1 1 128 128 SER N N 118 116.400 116.400 117.987 -1.587 18547 11698 1 12 . 1 1 128 128 SER HA H 118 4.890 4.890 4.746 0.144 18547 11699 1 12 . 1 1 128 128 SER C C 118 174.700 174.700 174.428 0.272 18547 11700 1 12 . 1 1 128 128 SER CA C 118 55.400 55.400 57.263 -1.863 18547 11701 1 12 . 1 1 128 128 SER CB C 118 63.000 63.000 65.940 -2.940 18547 11702 1 12 . 1 1 128 128 SER H H 118 7.730 7.730 7.483 0.247 18547 11703 1 12 . 1 1 129 129 GLU N N 119 130.300 130.300 125.985 4.315 18547 11704 1 12 . 1 1 129 129 GLU HA H 119 3.940 3.940 3.987 -0.047 18547 11705 1 12 . 1 1 129 129 GLU C C 119 178.400 178.400 178.670 -0.270 18547 11706 1 12 . 1 1 129 129 GLU CA C 119 59.900 59.900 60.534 -0.634 18547 11707 1 12 . 1 1 129 129 GLU CB C 119 29.700 29.700 29.502 0.198 18547 11708 1 12 . 1 1 129 129 GLU H H 119 9.000 9.000 9.127 -0.127 18547 11709 1 12 . 1 1 130 130 GLN N N 120 117.300 117.300 118.711 -1.411 18547 11710 1 12 . 1 1 130 130 GLN HA H 120 4.120 4.120 4.066 0.054 18547 11711 1 12 . 1 1 130 130 GLN C C 120 177.900 177.900 177.727 0.173 18547 11712 1 12 . 1 1 130 130 GLN CA C 120 58.400 58.400 59.226 -0.826 18547 11713 1 12 . 1 1 130 130 GLN CB C 120 28.000 28.000 28.109 -0.109 18547 11714 1 12 . 1 1 130 130 GLN H H 120 8.410 8.410 8.488 -0.078 18547 11715 1 12 . 1 1 131 131 MET N N 121 118.300 118.300 119.240 -0.940 18547 11716 1 12 . 1 1 131 131 MET HA H 121 4.240 4.240 4.212 0.028 18547 11717 1 12 . 1 1 131 131 MET C C 121 176.400 176.400 178.110 -1.710 18547 11718 1 12 . 1 1 131 131 MET CA C 121 57.300 57.300 57.739 -0.439 18547 11719 1 12 . 1 1 131 131 MET CB C 121 32.400 32.400 31.859 0.541 18547 11720 1 12 . 1 1 131 131 MET H H 121 7.640 7.640 8.080 -0.440 18547 11721 1 12 . 1 1 132 132 LEU N N 122 118.700 118.700 119.329 -0.629 18547 11722 1 12 . 1 1 132 132 LEU HA H 122 3.630 3.630 3.881 -0.251 18547 11723 1 12 . 1 1 132 132 LEU C C 122 177.100 177.100 179.102 -2.002 18547 11724 1 12 . 1 1 132 132 LEU CA C 122 58.300 58.300 57.865 0.435 18547 11725 1 12 . 1 1 132 132 LEU CB C 122 41.900 41.900 41.629 0.271 18547 11726 1 12 . 1 1 132 132 LEU H H 122 7.470 7.470 7.876 -0.406 18547 11727 1 12 . 1 1 133 133 VAL N N 123 114.600 114.600 119.219 -4.619 18547 11728 1 12 . 1 1 133 133 VAL HA H 123 3.360 3.360 3.599 -0.239 18547 11729 1 12 . 1 1 133 133 VAL C C 123 176.700 176.700 178.299 -1.599 18547 11730 1 12 . 1 1 133 133 VAL CA C 123 66.600 66.600 66.327 0.273 18547 11731 1 12 . 1 1 133 133 VAL CB C 123 31.800 31.800 30.832 0.968 18547 11732 1 12 . 1 1 133 133 VAL H H 123 7.040 7.040 7.849 -0.809 18547 11733 1 12 . 1 1 134 134 GLU N N 124 116.700 116.700 120.216 -3.516 18547 11734 1 12 . 1 1 134 134 GLU HA H 124 3.900 3.900 4.019 -0.119 18547 11735 1 12 . 1 1 134 134 GLU C C 124 180.700 180.700 179.005 1.695 18547 11736 1 12 . 1 1 134 134 GLU CA C 124 59.300 59.300 59.631 -0.331 18547 11737 1 12 . 1 1 134 134 GLU CB C 124 29.900 29.900 29.424 0.476 18547 11738 1 12 . 1 1 134 134 GLU H H 124 7.200 7.200 8.258 -1.058 18547 11739 1 12 . 1 1 135 135 VAL N N 125 114.700 114.700 115.615 -0.915 18547 11740 1 12 . 1 1 135 135 VAL HA H 125 3.930 3.930 3.786 0.144 18547 11741 1 12 . 1 1 135 135 VAL C C 125 177.900 177.900 177.619 0.281 18547 11742 1 12 . 1 1 135 135 VAL CA C 125 63.800 63.800 64.760 -0.960 18547 11743 1 12 . 1 1 135 135 VAL CB C 125 30.400 30.400 30.817 -0.417 18547 11744 1 12 . 1 1 135 135 VAL H H 125 8.620 8.620 7.546 1.074 18547 11745 1 12 . 1 1 136 136 GLY N N 126 112.200 112.200 108.426 3.774 18547 11746 1 12 . 1 1 136 136 GLY C C 126 174.800 174.800 175.582 -0.782 18547 11747 1 12 . 1 1 136 136 GLY CA C 126 47.200 47.200 46.532 0.668 18547 11748 1 12 . 1 1 136 136 GLY H H 126 7.750 7.750 7.749 0.001 18547 11749 1 12 . 1 1 137 137 VAL N N 127 119.100 119.100 121.338 -2.238 18547 11750 1 12 . 1 1 137 137 VAL HA H 127 3.510 3.510 3.782 -0.272 18547 11751 1 12 . 1 1 137 137 VAL C C 127 179.100 179.100 177.934 1.166 18547 11752 1 12 . 1 1 137 137 VAL CA C 127 67.400 67.400 65.583 1.817 18547 11753 1 12 . 1 1 137 137 VAL CB C 127 32.500 32.500 31.653 0.847 18547 11754 1 12 . 1 1 137 137 VAL H H 127 7.680 7.680 7.872 -0.192 18547 11755 1 12 . 1 1 138 138 GLY N N 128 106.300 106.300 108.046 -1.746 18547 11756 1 12 . 1 1 138 138 GLY C C 128 177.900 177.900 175.782 2.118 18547 11757 1 12 . 1 1 138 138 GLY CA C 128 47.300 47.300 47.272 0.028 18547 11758 1 12 . 1 1 138 138 GLY H H 128 8.210 8.210 8.144 0.066 18547 11759 1 12 . 1 1 139 139 TRP N N 129 122.500 122.500 121.307 1.193 18547 11760 1 12 . 1 1 139 139 TRP HA H 129 4.890 4.890 4.274 0.616 18547 11761 1 12 . 1 1 139 139 TRP C C 129 179.100 179.100 178.457 0.643 18547 11762 1 12 . 1 1 139 139 TRP CA C 129 59.800 59.800 60.150 -0.350 18547 11763 1 12 . 1 1 139 139 TRP CB C 129 30.100 30.100 29.352 0.748 18547 11764 1 12 . 1 1 139 139 TRP H H 129 8.880 8.880 7.898 0.982 18547 11765 1 12 . 1 1 140 140 GLU N N 130 119.000 119.000 119.839 -0.839 18547 11766 1 12 . 1 1 140 140 GLU HA H 130 4.020 4.020 3.935 0.085 18547 11767 1 12 . 1 1 140 140 GLU C C 130 179.300 179.300 178.782 0.518 18547 11768 1 12 . 1 1 140 140 GLU CA C 130 62.900 62.900 59.594 3.306 18547 11769 1 12 . 1 1 140 140 GLU CB C 130 30.600 30.600 29.506 1.094 18547 11770 1 12 . 1 1 140 140 GLU H H 130 8.210 8.210 7.800 0.410 18547 11771 1 12 . 1 1 141 141 MET N N 131 117.100 117.100 118.987 -1.887 18547 11772 1 12 . 1 1 141 141 MET HA H 131 4.330 4.330 4.058 0.272 18547 11773 1 12 . 1 1 141 141 MET C C 131 178.500 178.500 177.874 0.626 18547 11774 1 12 . 1 1 141 141 MET CA C 131 57.700 57.700 58.536 -0.836 18547 11775 1 12 . 1 1 141 141 MET CB C 131 30.600 30.600 32.717 -2.117 18547 11776 1 12 . 1 1 141 141 MET H H 131 8.210 8.210 8.249 -0.039 18547 11777 1 12 . 1 1 142 142 ALA N N 132 121.400 121.400 124.175 -2.775 18547 11778 1 12 . 1 1 142 142 ALA HA H 132 4.720 4.720 4.665 0.055 18547 11779 1 12 . 1 1 142 142 ALA C C 132 180.900 180.900 180.051 0.849 18547 11780 1 12 . 1 1 142 142 ALA CA C 132 55.700 55.700 55.191 0.509 18547 11781 1 12 . 1 1 142 142 ALA CB C 132 18.200 18.200 18.626 -0.426 18547 11782 1 12 . 1 1 142 142 ALA H H 132 7.910 7.910 7.968 -0.058 18547 11783 1 12 . 1 1 143 143 LEU N N 133 117.200 117.200 118.630 -1.430 18547 11784 1 12 . 1 1 143 143 LEU HA H 133 4.150 4.150 3.614 0.536 18547 11785 1 12 . 1 1 143 143 LEU C C 133 180.300 180.300 178.968 1.332 18547 11786 1 12 . 1 1 143 143 LEU CA C 133 57.300 57.300 57.100 0.200 18547 11787 1 12 . 1 1 143 143 LEU CB C 133 40.600 40.600 40.179 0.421 18547 11788 1 12 . 1 1 143 143 LEU H H 133 9.190 9.190 8.516 0.674 18547 11789 1 12 . 1 1 144 144 ASP N N 134 122.600 122.600 120.610 1.990 18547 11790 1 12 . 1 1 144 144 ASP HA H 134 4.580 4.580 4.260 0.320 18547 11791 1 12 . 1 1 144 144 ASP C C 134 179.900 179.900 178.560 1.340 18547 11792 1 12 . 1 1 144 144 ASP CA C 134 57.800 57.800 57.302 0.498 18547 11793 1 12 . 1 1 144 144 ASP CB C 134 39.800 39.800 40.661 -0.861 18547 11794 1 12 . 1 1 144 144 ASP H H 134 7.930 7.930 8.032 -0.102 18547 11795 1 12 . 1 1 145 145 PHE N N 135 119.300 119.300 117.915 1.385 18547 11796 1 12 . 1 1 145 145 PHE HA H 135 4.580 4.580 4.414 0.166 18547 11797 1 12 . 1 1 145 145 PHE C C 135 178.000 178.000 178.016 -0.016 18547 11798 1 12 . 1 1 145 145 PHE CA C 135 61.700 61.700 60.667 1.033 18547 11799 1 12 . 1 1 145 145 PHE CB C 135 39.400 39.400 38.625 0.775 18547 11800 1 12 . 1 1 145 145 PHE H H 135 7.690 7.690 7.597 0.093 18547 11801 1 12 . 1 1 146 146 LEU N N 136 124.400 124.400 122.383 2.017 18547 11802 1 12 . 1 1 146 146 LEU HA H 136 3.200 3.200 4.046 -0.846 18547 11803 1 12 . 1 1 146 146 LEU C C 136 178.800 178.800 178.625 0.175 18547 11804 1 12 . 1 1 146 146 LEU CA C 136 58.400 58.400 57.728 0.672 18547 11805 1 12 . 1 1 146 146 LEU CB C 136 38.800 38.800 40.717 -1.917 18547 11806 1 12 . 1 1 146 146 LEU H H 136 7.930 7.930 7.803 0.127 18547 11807 1 12 . 1 1 147 147 GLY N N 137 104.200 104.200 107.088 -2.888 18547 11808 1 12 . 1 1 147 147 GLY C C 137 176.100 176.100 176.189 -0.089 18547 11809 1 12 . 1 1 147 147 GLY CA C 137 47.900 47.900 47.536 0.364 18547 11810 1 12 . 1 1 147 147 GLY H H 137 8.340 8.340 8.459 -0.119 18547 11811 1 12 . 1 1 148 148 MET N N 138 119.300 119.300 120.842 -1.542 18547 11812 1 12 . 1 1 148 148 MET HA H 138 4.090 4.090 4.148 -0.058 18547 11813 1 12 . 1 1 148 148 MET C C 138 177.700 177.700 178.096 -0.396 18547 11814 1 12 . 1 1 148 148 MET CA C 138 59.400 59.400 59.065 0.335 18547 11815 1 12 . 1 1 148 148 MET CB C 138 34.500 34.500 32.784 1.716 18547 11816 1 12 . 1 1 148 148 MET H H 138 7.550 7.550 8.004 -0.454 18547 11817 1 12 . 1 1 149 149 PHE N N 139 120.400 120.400 121.536 -1.136 18547 11818 1 12 . 1 1 149 149 PHE HA H 139 4.380 4.380 4.277 0.103 18547 11819 1 12 . 1 1 149 149 PHE C C 139 179.100 179.100 177.368 1.732 18547 11820 1 12 . 1 1 149 149 PHE CA C 139 60.800 60.800 61.674 -0.874 18547 11821 1 12 . 1 1 149 149 PHE CB C 139 39.200 39.200 39.582 -0.382 18547 11822 1 12 . 1 1 149 149 PHE H H 139 8.600 8.600 8.067 0.533 18547 11823 1 12 . 1 1 150 150 ILE N N 140 121.300 121.300 118.127 3.173 18547 11824 1 12 . 1 1 150 150 ILE HA H 140 3.420 3.420 3.614 -0.194 18547 11825 1 12 . 1 1 150 150 ILE C C 140 177.500 177.500 178.050 -0.550 18547 11826 1 12 . 1 1 150 150 ILE CA C 140 63.100 63.100 64.222 -1.122 18547 11827 1 12 . 1 1 150 150 ILE CB C 140 37.100 37.100 38.006 -0.906 18547 11828 1 12 . 1 1 150 150 ILE H H 140 8.780 8.780 8.460 0.320 18547 11829 1 12 . 1 1 151 151 ARG N N 141 116.500 116.500 119.798 -3.298 18547 11830 1 12 . 1 1 151 151 ARG HA H 141 4.220 4.220 4.240 -0.020 18547 11831 1 12 . 1 1 151 151 ARG C C 141 176.700 176.700 177.090 -0.390 18547 11832 1 12 . 1 1 151 151 ARG CA C 141 57.500 57.500 56.722 0.778 18547 11833 1 12 . 1 1 151 151 ARG CB C 141 31.500 31.500 30.536 0.964 18547 11834 1 12 . 1 1 151 151 ARG H H 141 7.730 7.730 8.192 -0.462 18547 11835 1 12 . 1 1 152 152 GLY N N 142 106.800 106.800 106.186 0.614 18547 11836 1 12 . 1 1 152 152 GLY C C 142 174.900 174.900 174.577 0.323 18547 11837 1 12 . 1 1 152 152 GLY CA C 142 45.700 45.700 45.100 0.600 18547 11838 1 12 . 1 1 152 152 GLY H H 142 7.570 7.570 7.742 -0.172 18547 11839 1 12 . 1 1 153 153 ASP N N 143 119.400 119.400 120.784 -1.384 18547 11840 1 12 . 1 1 153 153 ASP HA H 143 4.780 4.780 4.527 0.253 18547 11841 1 12 . 1 1 153 153 ASP C C 143 175.400 175.400 177.118 -1.718 18547 11842 1 12 . 1 1 153 153 ASP CA C 143 54.200 54.200 55.542 -1.342 18547 11843 1 12 . 1 1 153 153 ASP CB C 143 42.100 42.100 41.516 0.584 18547 11844 1 12 . 1 1 153 153 ASP H H 143 8.290 8.290 7.982 0.308 18547 11845 1 12 . 1 1 154 154 LEU N N 144 121.300 121.300 121.816 -0.516 18547 11846 1 12 . 1 1 154 154 LEU HA H 144 4.810 4.810 4.565 0.245 18547 11847 1 12 . 1 1 154 154 LEU CA C 144 52.800 52.800 53.892 -1.092 18547 11848 1 12 . 1 1 154 154 LEU CB C 144 42.500 42.500 41.246 1.254 18547 11849 1 12 . 1 1 154 154 LEU H H 144 8.010 8.010 7.647 0.363 18547 11850 1 12 . 1 1 155 155 PRO HA H 145 4.480 4.480 4.685 -0.205 18547 11851 1 12 . 1 1 155 155 PRO C C 145 177.600 177.600 177.161 0.439 18547 11852 1 12 . 1 1 155 155 PRO CA C 145 63.500 63.500 62.014 1.486 18547 11853 1 12 . 1 1 155 155 PRO CB C 145 32.200 32.200 33.015 -0.815 18547 11854 1 12 . 1 1 156 156 GLY N N 146 108.900 108.900 107.363 1.537 18547 11855 1 12 . 1 1 156 156 GLY C C 146 174.300 174.300 173.891 0.409 18547 11856 1 12 . 1 1 156 156 GLY CA C 146 45.100 45.100 45.026 0.074 18547 11857 1 12 . 1 1 156 156 GLY H H 146 8.530 8.530 8.589 -0.059 18547 11858 1 12 . 1 1 157 157 GLY N N 147 108.800 108.800 110.393 -1.593 18547 11859 1 12 . 1 1 157 157 GLY CA C 147 44.500 44.500 44.753 -0.253 18547 11860 1 12 . 1 1 157 157 GLY H H 147 8.080 8.080 7.529 0.551 18547 11861 1 12 . 1 1 158 158 PRO HA H 148 4.440 4.440 4.503 -0.063 18547 11862 1 12 . 1 1 158 158 PRO C C 148 176.800 176.800 176.344 0.456 18547 11863 1 12 . 1 1 158 158 PRO CA C 148 63.000 63.000 62.677 0.323 18547 11864 1 12 . 1 1 158 158 PRO CB C 148 32.100 32.100 32.246 -0.146 18547 11865 1 12 . 1 1 159 159 VAL N N 149 121.400 121.400 118.355 3.045 18547 11866 1 12 . 1 1 159 159 VAL HA H 149 4.390 4.390 4.288 0.102 18547 11867 1 12 . 1 1 159 159 VAL CA C 149 59.800 59.800 60.041 -0.241 18547 11868 1 12 . 1 1 159 159 VAL CB C 149 32.600 32.600 32.079 0.521 18547 11869 1 12 . 1 1 159 159 VAL H H 149 8.220 8.220 8.097 0.123 18547 11870 1 12 . 1 1 160 160 PRO HA H 150 4.380 4.380 4.245 0.135 18547 11871 1 12 . 1 1 160 160 PRO C C 150 177.200 177.200 177.205 -0.005 18547 11872 1 12 . 1 1 160 160 PRO CA C 150 63.300 63.300 65.209 -1.909 18547 11873 1 12 . 1 1 160 160 PRO CB C 150 32.100 32.100 31.601 0.499 18547 11874 1 12 . 1 1 161 161 GLU N N 151 120.700 120.700 117.539 3.161 18547 11875 1 12 . 1 1 161 161 GLU HA H 151 4.170 4.170 4.103 0.067 18547 11876 1 12 . 1 1 161 161 GLU CA C 151 57.400 57.400 56.270 1.130 18547 11877 1 12 . 1 1 161 161 GLU CB C 151 29.900 29.900 28.290 1.610 18547 11878 1 12 . 1 1 161 161 GLU H H 151 8.620 8.620 8.556 0.064 18547 11879 1 12 . 1 1 162 162 ASP N N 152 119.900 119.900 118.826 1.074 18547 11880 1 12 . 1 1 162 162 ASP HA H 152 4.570 4.570 4.338 0.232 18547 11881 1 12 . 1 1 162 162 ASP C C 152 176.000 176.000 174.581 1.419 18547 11882 1 12 . 1 1 162 162 ASP CA C 152 54.200 54.200 54.944 -0.744 18547 11883 1 12 . 1 1 162 162 ASP CB C 152 41.000 41.000 39.696 1.304 18547 11884 1 12 . 1 1 162 162 ASP H H 152 8.250 8.250 7.676 0.574 18547 11885 1 12 . 1 1 163 163 ALA N N 153 124.000 124.000 120.708 3.292 18547 11886 1 12 . 1 1 163 163 ALA HA H 153 4.270 4.270 4.400 -0.130 18547 11887 1 12 . 1 1 163 163 ALA C C 153 177.400 177.400 176.251 1.149 18547 11888 1 12 . 1 1 163 163 ALA CA C 153 52.700 52.700 51.947 0.754 18547 11889 1 12 . 1 1 163 163 ALA CB C 153 19.200 19.200 20.427 -1.227 18547 11890 1 12 . 1 1 163 163 ALA H H 153 8.040 8.040 7.969 0.071 18547 11891 1 12 . 1 1 164 164 ALA N N 154 122.600 122.600 126.468 -3.868 18547 11892 1 12 . 1 1 164 164 ALA HA H 154 4.260 4.260 4.086 0.174 18547 11893 1 12 . 1 1 164 164 ALA C C 154 177.900 177.900 178.408 -0.508 18547 11894 1 12 . 1 1 164 164 ALA CA C 154 52.600 52.600 53.790 -1.190 18547 11895 1 12 . 1 1 164 164 ALA CB C 154 19.300 19.300 18.974 0.326 18547 11896 1 12 . 1 1 164 164 ALA H H 154 8.190 8.190 8.297 -0.107 18547 11897 1 12 . 1 1 165 165 GLU N N 155 119.400 119.400 118.381 1.019 18547 11898 1 12 . 1 1 165 165 GLU HA H 155 4.220 4.220 4.166 0.054 18547 11899 1 12 . 1 1 165 165 GLU C C 155 176.200 176.200 176.905 -0.705 18547 11900 1 12 . 1 1 165 165 GLU CA C 155 56.500 56.500 56.666 -0.166 18547 11901 1 12 . 1 1 165 165 GLU CB C 155 30.300 30.300 30.019 0.281 18547 11902 1 12 . 1 1 165 165 GLU H H 155 8.190 8.190 8.240 -0.050 18547 11903 1 12 . 1 1 166 166 GLU N N 156 121.000 121.000 116.271 4.729 18547 11904 1 12 . 1 1 166 166 GLU HA H 156 4.240 4.240 3.973 0.267 18547 11905 1 12 . 1 1 166 166 GLU C C 156 175.800 175.800 175.934 -0.134 18547 11906 1 12 . 1 1 166 166 GLU CA C 156 56.300 56.300 57.484 -1.184 18547 11907 1 12 . 1 1 166 166 GLU CB C 156 30.300 30.300 28.924 1.376 18547 11908 1 12 . 1 1 166 166 GLU H H 156 8.230 8.230 7.475 0.755 18547 11909 1 12 . 1 1 167 167 PHE N N 157 121.400 121.400 117.170 4.230 18547 11910 1 12 . 1 1 167 167 PHE HA H 157 4.590 4.590 4.187 0.403 18547 11911 1 12 . 1 1 167 167 PHE C C 157 175.100 175.100 173.677 1.423 18547 11912 1 12 . 1 1 167 167 PHE CA C 157 57.700 57.700 59.301 -1.601 18547 11913 1 12 . 1 1 167 167 PHE CB C 157 39.900 39.900 38.604 1.296 18547 11914 1 12 . 1 1 167 167 PHE H H 157 8.240 8.240 8.883 -0.643 18547 11915 1 12 . 1 1 168 168 GLU N N 158 124.400 124.400 120.596 3.804 18547 11916 1 12 . 1 1 168 168 GLU HA H 158 4.600 4.600 4.569 0.031 18547 11917 1 12 . 1 1 168 168 GLU CA C 158 53.700 53.700 52.658 1.042 18547 11918 1 12 . 1 1 168 168 GLU CB C 158 30.400 30.400 30.312 0.088 18547 11919 1 12 . 1 1 168 168 GLU H H 158 8.130 8.130 7.807 0.323 18547 11920 1 12 . 1 1 169 169 PRO HA H 159 4.460 4.460 4.547 -0.087 18547 11921 1 12 . 1 1 169 169 PRO C C 159 176.200 176.200 176.126 0.074 18547 11922 1 12 . 1 1 169 169 PRO CA C 159 62.800 62.800 62.282 0.518 18547 11923 1 12 . 1 1 169 169 PRO CB C 159 32.300 32.300 31.118 1.182 18547 11924 1 12 . 1 1 170 170 SER N N 160 118.600 118.600 119.642 -1.042 18547 11925 1 12 . 1 1 170 170 SER HA H 160 4.780 4.780 4.772 0.008 18547 11926 1 12 . 1 1 170 170 SER CA C 160 56.200 56.200 56.237 -0.037 18547 11927 1 12 . 1 1 170 170 SER CB C 160 63.200 63.200 65.453 -2.253 18547 11928 1 12 . 1 1 170 170 SER H H 160 8.290 8.290 7.765 0.525 18547 11929 1 12 . 1 1 171 171 PRO HA H 161 4.350 4.350 4.127 0.223 18547 11930 1 12 . 1 1 171 171 PRO C C 161 179.400 179.400 178.494 0.906 18547 11931 1 12 . 1 1 171 171 PRO CA C 161 65.500 65.500 65.567 -0.067 18547 11932 1 12 . 1 1 171 171 PRO CB C 161 31.700 31.700 31.881 -0.181 18547 11933 1 12 . 1 1 172 172 GLU N N 162 118.300 118.300 118.226 0.074 18547 11934 1 12 . 1 1 172 172 GLU HA H 162 4.160 4.160 4.126 0.034 18547 11935 1 12 . 1 1 172 172 GLU C C 162 178.300 178.300 179.036 -0.736 18547 11936 1 12 . 1 1 172 172 GLU CA C 162 59.300 59.300 59.668 -0.368 18547 11937 1 12 . 1 1 172 172 GLU CB C 162 29.400 29.400 28.919 0.481 18547 11938 1 12 . 1 1 172 172 GLU H H 162 8.540 8.540 8.878 -0.338 18547 11939 1 12 . 1 1 173 173 MET N N 163 119.400 119.400 118.320 1.080 18547 11940 1 12 . 1 1 173 173 MET HA H 163 4.260 4.260 4.361 -0.101 18547 11941 1 12 . 1 1 173 173 MET C C 163 179.200 179.200 179.040 0.160 18547 11942 1 12 . 1 1 173 173 MET CA C 163 58.200 58.200 57.736 0.464 18547 11943 1 12 . 1 1 173 173 MET CB C 163 32.500 32.500 31.929 0.571 18547 11944 1 12 . 1 1 173 173 MET H H 163 7.830 7.830 7.637 0.193 18547 11945 1 12 . 1 1 174 174 MET N N 164 119.300 119.300 118.465 0.835 18547 11946 1 12 . 1 1 174 174 MET HA H 164 4.260 4.260 4.118 0.142 18547 11947 1 12 . 1 1 174 174 MET C C 164 178.600 178.600 178.389 0.211 18547 11948 1 12 . 1 1 174 174 MET CA C 164 58.200 58.200 59.626 -1.426 18547 11949 1 12 . 1 1 174 174 MET CB C 164 31.900 31.900 32.329 -0.429 18547 11950 1 12 . 1 1 174 174 MET H H 164 8.320 8.320 8.666 -0.346 18547 11951 1 12 . 1 1 175 175 ARG N N 165 121.200 121.200 120.546 0.654 18547 11952 1 12 . 1 1 175 175 ARG HA H 165 4.160 4.160 4.027 0.133 18547 11953 1 12 . 1 1 175 175 ARG C C 165 178.800 178.800 178.540 0.260 18547 11954 1 12 . 1 1 175 175 ARG CA C 165 59.400 59.400 59.539 -0.139 18547 11955 1 12 . 1 1 175 175 ARG CB C 165 29.900 29.900 30.200 -0.300 18547 11956 1 12 . 1 1 175 175 ARG H H 165 8.020 8.020 7.784 0.236 18547 11957 1 12 . 1 1 176 176 ILE N N 166 120.500 120.500 119.094 1.406 18547 11958 1 12 . 1 1 176 176 ILE HA H 166 3.920 3.920 3.770 0.150 18547 11959 1 12 . 1 1 176 176 ILE C C 166 178.500 178.500 177.803 0.697 18547 11960 1 12 . 1 1 176 176 ILE CA C 166 64.500 64.500 63.416 1.084 18547 11961 1 12 . 1 1 176 176 ILE CB C 166 37.900 37.900 36.410 1.490 18547 11962 1 12 . 1 1 176 176 ILE H H 166 8.110 8.110 8.421 -0.311 18547 11963 1 12 . 1 1 177 177 SER N N 167 116.300 116.300 114.787 1.513 18547 11964 1 12 . 1 1 177 177 SER HA H 167 4.240 4.240 4.142 0.098 18547 11965 1 12 . 1 1 177 177 SER C C 167 177.300 177.300 176.799 0.501 18547 11966 1 12 . 1 1 177 177 SER CA C 167 62.500 62.500 61.972 0.528 18547 11967 1 12 . 1 1 177 177 SER CB C 167 62.800 62.800 63.363 -0.563 18547 11968 1 12 . 1 1 177 177 SER H H 167 8.290 8.290 8.051 0.239 18547 11969 1 12 . 1 1 178 178 GLN N N 168 123.300 123.300 118.575 4.725 18547 11970 1 12 . 1 1 178 178 GLN HA H 168 4.110 4.110 4.311 -0.201 18547 11971 1 12 . 1 1 178 178 GLN C C 168 178.600 178.600 178.396 0.204 18547 11972 1 12 . 1 1 178 178 GLN CA C 168 59.200 59.200 58.038 1.162 18547 11973 1 12 . 1 1 178 178 GLN CB C 168 28.000 28.000 28.697 -0.697 18547 11974 1 12 . 1 1 178 178 GLN H H 168 8.080 8.080 7.665 0.415 18547 11975 1 12 . 1 1 179 179 GLU N N 169 121.200 121.200 122.019 -0.819 18547 11976 1 12 . 1 1 179 179 GLU HA H 169 4.090 4.090 4.050 0.040 18547 11977 1 12 . 1 1 179 179 GLU C C 169 180.500 180.500 179.160 1.340 18547 11978 1 12 . 1 1 179 179 GLU CA C 169 59.500 59.500 59.468 0.032 18547 11979 1 12 . 1 1 179 179 GLU CB C 169 29.700 29.700 29.370 0.330 18547 11980 1 12 . 1 1 179 179 GLU H H 169 8.380 8.380 8.747 -0.367 18547 11981 1 12 . 1 1 180 180 ARG N N 170 120.800 120.800 119.033 1.767 18547 11982 1 12 . 1 1 180 180 ARG HA H 170 4.010 4.010 4.186 -0.176 18547 11983 1 12 . 1 1 180 180 ARG C C 170 178.100 178.100 179.064 -0.964 18547 11984 1 12 . 1 1 180 180 ARG CA C 170 59.900 59.900 59.194 0.706 18547 11985 1 12 . 1 1 180 180 ARG CB C 170 30.600 30.600 29.894 0.706 18547 11986 1 12 . 1 1 180 180 ARG H H 170 8.670 8.670 8.065 0.605 18547 11987 1 12 . 1 1 181 181 GLY N N 171 108.200 108.200 107.097 1.103 18547 11988 1 12 . 1 1 181 181 GLY C C 171 176.600 176.600 176.066 0.534 18547 11989 1 12 . 1 1 181 181 GLY CA C 171 47.800 47.800 47.110 0.690 18547 11990 1 12 . 1 1 181 181 GLY H H 171 8.550 8.550 8.239 0.311 18547 11991 1 12 . 1 1 182 182 GLU N N 172 121.900 121.900 122.484 -0.584 18547 11992 1 12 . 1 1 182 182 GLU HA H 172 4.110 4.110 4.056 0.054 18547 11993 1 12 . 1 1 182 182 GLU C C 172 179.300 179.300 178.597 0.703 18547 11994 1 12 . 1 1 182 182 GLU CA C 172 59.300 59.300 58.691 0.609 18547 11995 1 12 . 1 1 182 182 GLU CB C 172 29.300 29.300 29.159 0.141 18547 11996 1 12 . 1 1 182 182 GLU H H 172 8.190 8.190 8.018 0.172 18547 11997 1 12 . 1 1 183 183 ALA N N 173 123.500 123.500 122.380 1.120 18547 11998 1 12 . 1 1 183 183 ALA HA H 173 4.150 4.150 3.910 0.240 18547 11999 1 12 . 1 1 183 183 ALA C C 173 181.500 181.500 179.708 1.792 18547 12000 1 12 . 1 1 183 183 ALA CA C 173 55.000 55.000 54.842 0.158 18547 12001 1 12 . 1 1 183 183 ALA CB C 173 17.100 17.100 17.868 -0.768 18547 12002 1 12 . 1 1 183 183 ALA H H 173 7.800 7.800 7.805 -0.005 18547 12003 1 12 . 1 1 184 184 TRP N N 174 118.100 118.100 118.268 -0.168 18547 12004 1 12 . 1 1 184 184 TRP HA H 174 4.540 4.540 4.296 0.244 18547 12005 1 12 . 1 1 184 184 TRP C C 174 178.500 178.500 178.374 0.126 18547 12006 1 12 . 1 1 184 184 TRP CA C 174 60.600 60.600 59.727 0.872 18547 12007 1 12 . 1 1 184 184 TRP CB C 174 30.800 30.800 29.251 1.549 18547 12008 1 12 . 1 1 184 184 TRP H H 174 8.400 8.400 8.232 0.168 18547 12009 1 12 . 1 1 185 185 ALA N N 175 121.700 121.700 121.957 -0.257 18547 12010 1 12 . 1 1 185 185 ALA HA H 175 3.920 3.920 3.841 0.079 18547 12011 1 12 . 1 1 185 185 ALA C C 175 179.600 179.600 178.530 1.070 18547 12012 1 12 . 1 1 185 185 ALA CA C 175 55.600 55.600 54.291 1.309 18547 12013 1 12 . 1 1 185 185 ALA CB C 175 17.900 17.900 17.837 0.062 18547 12014 1 12 . 1 1 185 185 ALA H H 175 8.800 8.800 7.826 0.974 18547 12015 1 12 . 1 1 186 186 ALA N N 176 119.000 119.000 120.795 -1.795 18547 12016 1 12 . 1 1 186 186 ALA HA H 176 4.190 4.190 4.081 0.109 18547 12017 1 12 . 1 1 186 186 ALA C C 176 180.300 180.300 179.188 1.112 18547 12018 1 12 . 1 1 186 186 ALA CA C 176 54.800 54.800 54.343 0.457 18547 12019 1 12 . 1 1 186 186 ALA CB C 176 17.900 17.900 18.614 -0.715 18547 12020 1 12 . 1 1 186 186 ALA H H 176 7.860 7.860 7.885 -0.025 18547 12021 1 12 . 1 1 187 187 LEU N N 177 118.500 118.500 118.270 0.230 18547 12022 1 12 . 1 1 187 187 LEU HA H 177 4.210 4.210 3.984 0.226 18547 12023 1 12 . 1 1 187 187 LEU C C 177 179.400 179.400 179.231 0.169 18547 12024 1 12 . 1 1 187 187 LEU CA C 177 57.600 57.600 57.690 -0.090 18547 12025 1 12 . 1 1 187 187 LEU CB C 177 42.700 42.700 42.099 0.601 18547 12026 1 12 . 1 1 187 187 LEU H H 177 7.460 7.460 7.770 -0.310 18547 12027 1 12 . 1 1 188 188 VAL N N 178 118.500 118.500 117.776 0.724 18547 12028 1 12 . 1 1 188 188 VAL HA H 178 3.660 3.660 3.784 -0.124 18547 12029 1 12 . 1 1 188 188 VAL C C 178 177.600 177.600 176.577 1.023 18547 12030 1 12 . 1 1 188 188 VAL CA C 178 66.000 66.000 64.587 1.413 18547 12031 1 12 . 1 1 188 188 VAL CB C 178 32.400 32.400 31.812 0.588 18547 12032 1 12 . 1 1 188 188 VAL H H 178 8.640 8.640 7.874 0.766 18547 12033 1 12 . 1 1 189 189 HIS N N 179 116.000 116.000 115.934 0.066 18547 12034 1 12 . 1 1 189 189 HIS HA H 179 4.780 4.780 4.554 0.226 18547 12035 1 12 . 1 1 189 189 HIS C C 179 175.300 175.300 174.872 0.428 18547 12036 1 12 . 1 1 189 189 HIS CA C 179 56.200 56.200 55.962 0.238 18547 12037 1 12 . 1 1 189 189 HIS CB C 179 28.500 28.500 29.972 -1.472 18547 12038 1 12 . 1 1 189 189 HIS H H 179 8.150 8.150 7.561 0.589 18547 12039 1 12 . 1 1 190 190 SER N N 180 115.000 115.000 115.466 -0.466 18547 12040 1 12 . 1 1 190 190 SER HA H 180 4.480 4.480 4.623 -0.143 18547 12041 1 12 . 1 1 190 190 SER C C 180 175.100 175.100 174.268 0.832 18547 12042 1 12 . 1 1 190 190 SER CA C 180 59.500 59.500 57.508 1.992 18547 12043 1 12 . 1 1 190 190 SER CB C 180 64.000 64.000 63.835 0.165 18547 12044 1 12 . 1 1 190 190 SER H H 180 7.820 7.820 7.393 0.427 18547 12045 1 12 . 1 1 191 191 GLY N N 181 111.100 111.100 114.493 -3.393 18547 12046 1 12 . 1 1 191 191 GLY C C 181 173.400 173.400 173.925 -0.525 18547 12047 1 12 . 1 1 191 191 GLY CA C 181 45.500 45.500 44.721 0.779 18547 12048 1 12 . 1 1 191 191 GLY H H 181 8.330 8.330 8.655 -0.325 18547 12049 1 13 . 1 1 12 12 ALA N N 2 125.600 125.600 122.596 3.004 18547 12050 1 13 . 1 1 12 12 ALA HA H 2 4.300 4.300 4.301 -0.001 18547 12051 1 13 . 1 1 12 12 ALA C C 2 177.600 177.600 178.974 -1.374 18547 12052 1 13 . 1 1 12 12 ALA CA C 2 52.600 52.600 54.798 -2.198 18547 12053 1 13 . 1 1 12 12 ALA CB C 2 19.200 19.200 18.517 0.683 18547 12054 1 13 . 1 1 12 12 ALA H H 2 8.380 8.380 8.648 -0.268 18547 12055 1 13 . 1 1 13 13 SER N N 3 115.000 115.000 111.586 3.414 18547 12056 1 13 . 1 1 13 13 SER HA H 3 4.390 4.390 4.118 0.272 18547 12057 1 13 . 1 1 13 13 SER C C 3 175.100 175.100 175.006 0.094 18547 12058 1 13 . 1 1 13 13 SER CA C 3 58.500 58.500 59.652 -1.152 18547 12059 1 13 . 1 1 13 13 SER CB C 3 63.800 63.800 62.186 1.614 18547 12060 1 13 . 1 1 13 13 SER H H 3 8.250 8.250 8.420 -0.170 18547 12061 1 13 . 1 1 14 14 GLY N N 4 110.700 110.700 112.806 -2.106 18547 12062 1 13 . 1 1 14 14 GLY C C 4 174.000 174.000 173.389 0.611 18547 12063 1 13 . 1 1 14 14 GLY CA C 4 45.400 45.400 44.706 0.694 18547 12064 1 13 . 1 1 14 14 GLY H H 4 8.390 8.390 8.019 0.371 18547 12065 1 13 . 1 1 15 15 GLN N N 5 120.100 120.100 121.065 -0.965 18547 12066 1 13 . 1 1 15 15 GLN HA H 5 4.310 4.310 4.105 0.205 18547 12067 1 13 . 1 1 15 15 GLN C C 5 175.500 175.500 175.334 0.166 18547 12068 1 13 . 1 1 15 15 GLN CA C 5 55.600 55.600 55.186 0.414 18547 12069 1 13 . 1 1 15 15 GLN CB C 5 29.700 29.700 27.974 1.726 18547 12070 1 13 . 1 1 15 15 GLN H H 5 8.190 8.190 8.302 -0.112 18547 12071 1 13 . 1 1 16 16 ALA N N 6 126.000 126.000 130.475 -4.475 18547 12072 1 13 . 1 1 16 16 ALA HA H 6 4.360 4.360 4.411 -0.051 18547 12073 1 13 . 1 1 16 16 ALA C C 6 177.300 177.300 176.185 1.115 18547 12074 1 13 . 1 1 16 16 ALA CA C 6 52.300 52.300 51.214 1.086 18547 12075 1 13 . 1 1 16 16 ALA CB C 6 19.200 19.200 18.301 0.899 18547 12076 1 13 . 1 1 16 16 ALA H H 6 8.400 8.400 8.380 0.020 18547 12077 1 13 . 1 1 17 17 THR N N 7 119.200 119.200 120.122 -0.922 18547 12078 1 13 . 1 1 17 17 THR HA H 7 4.370 4.370 4.914 -0.544 18547 12079 1 13 . 1 1 17 17 THR C C 7 173.600 173.600 174.140 -0.540 18547 12080 1 13 . 1 1 17 17 THR CA C 7 63.200 63.200 62.044 1.156 18547 12081 1 13 . 1 1 17 17 THR CB C 7 70.600 70.600 69.713 0.887 18547 12082 1 13 . 1 1 17 17 THR H H 7 8.180 8.180 7.836 0.344 18547 12083 1 13 . 1 1 18 18 GLU N N 8 127.500 127.500 128.730 -1.230 18547 12084 1 13 . 1 1 18 18 GLU HA H 8 4.540 4.540 4.604 -0.064 18547 12085 1 13 . 1 1 18 18 GLU C C 8 174.200 174.200 175.385 -1.185 18547 12086 1 13 . 1 1 18 18 GLU CA C 8 55.100 55.100 54.526 0.573 18547 12087 1 13 . 1 1 18 18 GLU CB C 8 31.900 31.900 31.453 0.447 18547 12088 1 13 . 1 1 18 18 GLU H H 8 8.810 8.810 8.616 0.194 18547 12089 1 13 . 1 1 19 19 ARG N N 9 122.100 122.100 124.393 -2.293 18547 12090 1 13 . 1 1 19 19 ARG HA H 9 5.060 5.060 4.393 0.667 18547 12091 1 13 . 1 1 19 19 ARG C C 9 175.000 175.000 175.723 -0.723 18547 12092 1 13 . 1 1 19 19 ARG CA C 9 54.800 54.800 56.138 -1.338 18547 12093 1 13 . 1 1 19 19 ARG CB C 9 31.600 31.600 30.377 1.224 18547 12094 1 13 . 1 1 19 19 ARG H H 9 8.070 8.070 8.728 -0.658 18547 12095 1 13 . 1 1 20 20 ALA N N 10 126.300 126.300 126.571 -0.271 18547 12096 1 13 . 1 1 20 20 ALA HA H 10 4.640 4.640 4.680 -0.040 18547 12097 1 13 . 1 1 20 20 ALA C C 10 173.800 173.800 175.076 -1.276 18547 12098 1 13 . 1 1 20 20 ALA CA C 10 51.100 51.100 51.522 -0.422 18547 12099 1 13 . 1 1 20 20 ALA CB C 10 22.800 22.800 21.834 0.966 18547 12100 1 13 . 1 1 20 20 ALA H H 10 9.390 9.390 8.615 0.775 18547 12101 1 13 . 1 1 21 21 LEU N N 11 117.500 117.500 119.742 -2.242 18547 12102 1 13 . 1 1 21 21 LEU HA H 11 5.790 5.790 5.456 0.334 18547 12103 1 13 . 1 1 21 21 LEU C C 11 178.100 178.100 175.709 2.391 18547 12104 1 13 . 1 1 21 21 LEU CA C 11 53.100 53.100 53.451 -0.351 18547 12105 1 13 . 1 1 21 21 LEU CB C 11 45.400 45.400 46.411 -1.011 18547 12106 1 13 . 1 1 21 21 LEU H H 11 8.280 8.280 8.317 -0.037 18547 12107 1 13 . 1 1 22 22 GLY N N 12 113.400 113.400 109.114 4.286 18547 12108 1 13 . 1 1 22 22 GLY C C 12 174.800 174.800 172.251 2.549 18547 12109 1 13 . 1 1 22 22 GLY CA C 12 44.500 44.500 45.935 -1.435 18547 12110 1 13 . 1 1 22 22 GLY H H 12 8.830 8.830 8.835 -0.005 18547 12111 1 13 . 1 1 23 23 ARG N N 13 119.600 119.600 119.009 0.591 18547 12112 1 13 . 1 1 23 23 ARG HA H 13 5.040 5.040 4.614 0.426 18547 12113 1 13 . 1 1 23 23 ARG C C 13 174.900 174.900 174.207 0.693 18547 12114 1 13 . 1 1 23 23 ARG CA C 13 55.800 55.800 54.214 1.586 18547 12115 1 13 . 1 1 23 23 ARG CB C 13 33.600 33.600 32.534 1.066 18547 12116 1 13 . 1 1 23 23 ARG H H 13 8.160 8.160 8.179 -0.019 18547 12117 1 13 . 1 1 24 24 ARG N N 14 121.900 121.900 121.451 0.449 18547 12118 1 13 . 1 1 24 24 ARG HA H 14 4.530 4.530 4.595 -0.065 18547 12119 1 13 . 1 1 24 24 ARG C C 14 174.000 174.000 174.453 -0.453 18547 12120 1 13 . 1 1 24 24 ARG CA C 14 55.200 55.200 55.606 -0.406 18547 12121 1 13 . 1 1 24 24 ARG CB C 14 34.700 34.700 32.822 1.878 18547 12122 1 13 . 1 1 24 24 ARG H H 14 8.780 8.780 8.922 -0.142 18547 12123 1 13 . 1 1 25 25 THR N N 15 121.700 121.700 122.767 -1.067 18547 12124 1 13 . 1 1 25 25 THR HA H 15 4.420 4.420 4.720 -0.300 18547 12125 1 13 . 1 1 25 25 THR C C 15 173.700 173.700 174.485 -0.785 18547 12126 1 13 . 1 1 25 25 THR CA C 15 63.600 63.600 62.725 0.875 18547 12127 1 13 . 1 1 25 25 THR CB C 15 68.600 68.600 69.329 -0.729 18547 12128 1 13 . 1 1 25 25 THR H H 15 8.800 8.800 8.413 0.387 18547 12129 1 13 . 1 1 26 26 ILE N N 16 124.200 124.200 121.045 3.155 18547 12130 1 13 . 1 1 26 26 ILE HA H 16 4.940 4.940 4.852 0.088 18547 12131 1 13 . 1 1 26 26 ILE CA C 16 59.300 59.300 57.374 1.926 18547 12132 1 13 . 1 1 26 26 ILE CB C 16 38.200 38.200 39.125 -0.925 18547 12133 1 13 . 1 1 26 26 ILE H H 16 8.420 8.420 8.365 0.055 18547 12134 1 13 . 1 1 27 27 PRO HA H 17 4.180 4.180 4.193 -0.013 18547 12135 1 13 . 1 1 27 27 PRO C C 17 178.100 178.100 176.766 1.334 18547 12136 1 13 . 1 1 27 27 PRO CA C 17 67.200 67.200 65.637 1.563 18547 12137 1 13 . 1 1 27 27 PRO CB C 17 30.700 30.700 31.369 -0.669 18547 12138 1 13 . 1 1 28 28 ALA N N 18 114.800 114.800 118.450 -3.650 18547 12139 1 13 . 1 1 28 28 ALA HA H 18 4.270 4.270 4.214 0.056 18547 12140 1 13 . 1 1 28 28 ALA C C 18 177.000 177.000 177.743 -0.743 18547 12141 1 13 . 1 1 28 28 ALA CA C 18 53.100 53.100 53.259 -0.159 18547 12142 1 13 . 1 1 28 28 ALA CB C 18 19.500 19.500 19.700 -0.200 18547 12143 1 13 . 1 1 28 28 ALA H H 18 8.060 8.060 8.136 -0.076 18547 12144 1 13 . 1 1 29 29 GLY N N 19 107.100 107.100 105.623 1.477 18547 12145 1 13 . 1 1 29 29 GLY C C 19 171.900 171.900 172.121 -0.221 18547 12146 1 13 . 1 1 29 29 GLY CA C 19 44.000 44.000 44.645 -0.645 18547 12147 1 13 . 1 1 29 29 GLY H H 19 8.140 8.140 7.442 0.698 18547 12148 1 13 . 1 1 30 30 GLU N N 20 120.000 120.000 122.007 -2.007 18547 12149 1 13 . 1 1 30 30 GLU HA H 20 4.320 4.320 4.243 0.077 18547 12150 1 13 . 1 1 30 30 GLU C C 20 175.600 175.600 175.153 0.447 18547 12151 1 13 . 1 1 30 30 GLU CA C 20 57.300 57.300 57.239 0.061 18547 12152 1 13 . 1 1 30 30 GLU CB C 20 29.100 29.100 29.662 -0.562 18547 12153 1 13 . 1 1 30 30 GLU H H 20 8.380 8.380 8.515 -0.135 18547 12154 1 13 . 1 1 31 31 ALA N N 21 129.500 129.500 127.958 1.542 18547 12155 1 13 . 1 1 31 31 ALA HA H 21 4.610 4.610 4.729 -0.119 18547 12156 1 13 . 1 1 31 31 ALA C C 21 177.200 177.200 175.813 1.387 18547 12157 1 13 . 1 1 31 31 ALA CA C 21 51.200 51.200 50.836 0.364 18547 12158 1 13 . 1 1 31 31 ALA CB C 21 22.500 22.500 22.432 0.068 18547 12159 1 13 . 1 1 31 31 ALA H H 21 8.660 8.660 8.398 0.262 18547 12160 1 13 . 1 1 32 32 ARG N N 22 120.400 120.400 117.990 2.410 18547 12161 1 13 . 1 1 32 32 ARG HA H 22 4.950 4.950 4.698 0.252 18547 12162 1 13 . 1 1 32 32 ARG C C 22 173.400 173.400 175.175 -1.775 18547 12163 1 13 . 1 1 32 32 ARG CA C 22 55.500 55.500 54.161 1.339 18547 12164 1 13 . 1 1 32 32 ARG CB C 22 32.500 32.500 32.877 -0.377 18547 12165 1 13 . 1 1 32 32 ARG H H 22 8.090 8.090 8.256 -0.166 18547 12166 1 13 . 1 1 33 33 SER N N 23 113.800 113.800 114.694 -0.894 18547 12167 1 13 . 1 1 33 33 SER HA H 23 5.560 5.560 5.469 0.091 18547 12168 1 13 . 1 1 33 33 SER C C 23 174.500 174.500 173.870 0.630 18547 12169 1 13 . 1 1 33 33 SER CA C 23 55.600 55.600 56.856 -1.256 18547 12170 1 13 . 1 1 33 33 SER CB C 23 67.300 67.300 65.859 1.441 18547 12171 1 13 . 1 1 33 33 SER H H 23 8.080 8.080 8.617 -0.537 18547 12172 1 13 . 1 1 34 34 ILE N N 24 112.700 112.700 118.768 -6.068 18547 12173 1 13 . 1 1 34 34 ILE HA H 24 4.950 4.950 4.760 0.190 18547 12174 1 13 . 1 1 34 34 ILE C C 24 175.400 175.400 174.462 0.938 18547 12175 1 13 . 1 1 34 34 ILE CA C 24 58.300 58.300 60.321 -2.021 18547 12176 1 13 . 1 1 34 34 ILE CB C 24 39.900 39.900 39.060 0.840 18547 12177 1 13 . 1 1 34 34 ILE H H 24 7.980 7.980 8.490 -0.510 18547 12178 1 13 . 1 1 35 35 ILE N N 25 121.800 121.800 126.829 -5.029 18547 12179 1 13 . 1 1 35 35 ILE HA H 25 4.960 4.960 4.998 -0.038 18547 12180 1 13 . 1 1 35 35 ILE C C 25 174.800 174.800 175.209 -0.409 18547 12181 1 13 . 1 1 35 35 ILE CA C 25 60.700 60.700 59.426 1.274 18547 12182 1 13 . 1 1 35 35 ILE CB C 25 41.300 41.300 39.310 1.990 18547 12183 1 13 . 1 1 35 35 ILE H H 25 8.960 8.960 8.053 0.907 18547 12184 1 13 . 1 1 36 36 ILE N N 26 127.900 127.900 128.060 -0.160 18547 12185 1 13 . 1 1 36 36 ILE HA H 26 4.770 4.770 4.531 0.239 18547 12186 1 13 . 1 1 36 36 ILE C C 26 175.000 175.000 174.449 0.551 18547 12187 1 13 . 1 1 36 36 ILE CA C 26 59.900 59.900 60.520 -0.620 18547 12188 1 13 . 1 1 36 36 ILE CB C 26 42.100 42.100 38.313 3.787 18547 12189 1 13 . 1 1 36 36 ILE H H 26 9.210 9.210 8.548 0.662 18547 12190 1 13 . 1 1 37 37 ARG N N 27 124.100 124.100 128.340 -4.240 18547 12191 1 13 . 1 1 37 37 ARG HA H 27 5.850 5.850 5.368 0.482 18547 12192 1 13 . 1 1 37 37 ARG C C 27 176.200 176.200 174.519 1.681 18547 12193 1 13 . 1 1 37 37 ARG CA C 27 54.100 54.100 54.051 0.049 18547 12194 1 13 . 1 1 37 37 ARG CB C 27 32.900 32.900 34.053 -1.153 18547 12195 1 13 . 1 1 37 37 ARG H H 27 8.670 8.670 8.666 0.004 18547 12196 1 13 . 1 1 38 38 GLN N N 28 122.900 122.900 122.614 0.286 18547 12197 1 13 . 1 1 38 38 GLN HA H 28 4.710 4.710 5.140 -0.430 18547 12198 1 13 . 1 1 38 38 GLN C C 28 173.200 173.200 173.743 -0.543 18547 12199 1 13 . 1 1 38 38 GLN CA C 28 54.400 54.400 54.552 -0.152 18547 12200 1 13 . 1 1 38 38 GLN CB C 28 35.200 35.200 32.364 2.836 18547 12201 1 13 . 1 1 38 38 GLN H H 28 9.310 9.310 8.452 0.858 18547 12202 1 13 . 1 1 39 39 ARG N N 29 121.400 121.400 122.988 -1.588 18547 12203 1 13 . 1 1 39 39 ARG HA H 29 5.260 5.260 5.056 0.204 18547 12204 1 13 . 1 1 39 39 ARG C C 29 175.400 175.400 175.782 -0.382 18547 12205 1 13 . 1 1 39 39 ARG CA C 29 55.100 55.100 54.053 1.047 18547 12206 1 13 . 1 1 39 39 ARG CB C 29 32.500 32.500 30.231 2.269 18547 12207 1 13 . 1 1 39 39 ARG H H 29 8.510 8.510 8.114 0.396 18547 12208 1 13 . 1 1 40 40 TYR N N 30 120.000 120.000 124.267 -4.267 18547 12209 1 13 . 1 1 40 40 TYR HA H 30 4.600 4.600 4.511 0.089 18547 12210 1 13 . 1 1 40 40 TYR C C 30 175.600 175.600 175.995 -0.395 18547 12211 1 13 . 1 1 40 40 TYR CA C 30 56.900 56.900 57.489 -0.589 18547 12212 1 13 . 1 1 40 40 TYR CB C 30 42.700 42.700 39.904 2.796 18547 12213 1 13 . 1 1 40 40 TYR H H 30 9.140 9.140 8.726 0.414 18547 12214 1 13 . 1 1 41 41 ASP N N 31 126.400 126.400 121.991 4.409 18547 12215 1 13 . 1 1 41 41 ASP HA H 31 4.880 4.880 4.778 0.102 18547 12216 1 13 . 1 1 41 41 ASP C C 31 174.500 174.500 175.054 -0.554 18547 12217 1 13 . 1 1 41 41 ASP CA C 31 53.200 53.200 54.697 -1.497 18547 12218 1 13 . 1 1 41 41 ASP CB C 31 39.200 39.200 40.687 -1.487 18547 12219 1 13 . 1 1 41 41 ASP H H 31 9.140 9.140 8.865 0.275 18547 12220 1 13 . 1 1 42 42 ALA N N 32 123.100 123.100 122.170 0.930 18547 12221 1 13 . 1 1 42 42 ALA HA H 32 4.690 4.690 4.739 -0.049 18547 12222 1 13 . 1 1 42 42 ALA CA C 32 50.100 50.100 49.117 0.983 18547 12223 1 13 . 1 1 42 42 ALA CB C 32 20.200 20.200 20.257 -0.057 18547 12224 1 13 . 1 1 42 42 ALA H H 32 7.770 7.770 7.366 0.404 18547 12225 1 13 . 1 1 43 43 PRO HA H 33 4.650 4.650 4.603 0.047 18547 12226 1 13 . 1 1 43 43 PRO C C 33 178.100 178.100 177.895 0.205 18547 12227 1 13 . 1 1 43 43 PRO CA C 33 62.000 62.000 62.788 -0.789 18547 12228 1 13 . 1 1 43 43 PRO CB C 33 33.000 33.000 32.908 0.092 18547 12229 1 13 . 1 1 44 44 VAL N N 34 123.500 123.500 121.779 1.721 18547 12230 1 13 . 1 1 44 44 VAL HA H 34 3.960 3.960 3.563 0.397 18547 12231 1 13 . 1 1 44 44 VAL C C 34 177.500 177.500 177.564 -0.064 18547 12232 1 13 . 1 1 44 44 VAL CA C 34 66.000 66.000 67.203 -1.203 18547 12233 1 13 . 1 1 44 44 VAL CB C 34 32.000 32.000 31.467 0.533 18547 12234 1 13 . 1 1 44 44 VAL H H 34 8.570 8.570 8.273 0.297 18547 12235 1 13 . 1 1 45 45 ASP N N 35 116.200 116.200 118.440 -2.240 18547 12236 1 13 . 1 1 45 45 ASP HA H 35 4.290 4.290 4.288 0.002 18547 12237 1 13 . 1 1 45 45 ASP C C 35 178.800 178.800 178.525 0.275 18547 12238 1 13 . 1 1 45 45 ASP CA C 35 57.500 57.500 57.833 -0.333 18547 12239 1 13 . 1 1 45 45 ASP CB C 35 40.400 40.400 40.305 0.095 18547 12240 1 13 . 1 1 45 45 ASP H H 35 8.520 8.520 8.517 0.003 18547 12241 1 13 . 1 1 46 46 GLU N N 36 120.100 120.100 119.946 0.154 18547 12242 1 13 . 1 1 46 46 GLU HA H 36 4.260 4.260 4.144 0.116 18547 12243 1 13 . 1 1 46 46 GLU C C 36 179.000 179.000 179.088 -0.088 18547 12244 1 13 . 1 1 46 46 GLU CA C 36 58.400 58.400 59.087 -0.687 18547 12245 1 13 . 1 1 46 46 GLU CB C 36 29.700 29.700 29.553 0.147 18547 12246 1 13 . 1 1 46 46 GLU H H 36 7.360 7.360 7.671 -0.311 18547 12247 1 13 . 1 1 47 47 VAL N N 37 121.800 121.800 119.811 1.989 18547 12248 1 13 . 1 1 47 47 VAL HA H 37 3.370 3.370 3.694 -0.324 18547 12249 1 13 . 1 1 47 47 VAL C C 37 177.100 177.100 177.476 -0.376 18547 12250 1 13 . 1 1 47 47 VAL CA C 37 66.900 66.900 66.504 0.396 18547 12251 1 13 . 1 1 47 47 VAL CB C 37 31.000 31.000 31.376 -0.376 18547 12252 1 13 . 1 1 47 47 VAL H H 37 7.680 7.680 7.823 -0.143 18547 12253 1 13 . 1 1 48 48 TRP N N 38 119.800 119.800 122.242 -2.442 18547 12254 1 13 . 1 1 48 48 TRP HA H 38 3.990 3.990 4.359 -0.369 18547 12255 1 13 . 1 1 48 48 TRP C C 38 180.700 180.700 177.545 3.155 18547 12256 1 13 . 1 1 48 48 TRP CA C 38 60.900 60.900 60.380 0.520 18547 12257 1 13 . 1 1 48 48 TRP CB C 38 29.300 29.300 29.837 -0.537 18547 12258 1 13 . 1 1 48 48 TRP H H 38 9.160 9.160 8.823 0.337 18547 12259 1 13 . 1 1 49 49 SER N N 39 116.100 116.100 115.851 0.249 18547 12260 1 13 . 1 1 49 49 SER HA H 39 4.010 4.010 4.334 -0.324 18547 12261 1 13 . 1 1 49 49 SER C C 39 175.700 175.700 176.610 -0.910 18547 12262 1 13 . 1 1 49 49 SER CA C 39 62.700 62.700 61.612 1.087 18547 12263 1 13 . 1 1 49 49 SER CB C 39 62.700 62.700 62.664 0.036 18547 12264 1 13 . 1 1 49 49 SER H H 39 8.230 8.230 7.807 0.423 18547 12265 1 13 . 1 1 50 50 ALA N N 40 122.300 122.300 124.531 -2.231 18547 12266 1 13 . 1 1 50 50 ALA HA H 40 4.020 4.020 4.339 -0.319 18547 12267 1 13 . 1 1 50 50 ALA C C 40 176.700 176.700 179.892 -3.192 18547 12268 1 13 . 1 1 50 50 ALA CA C 40 55.200 55.200 55.451 -0.251 18547 12269 1 13 . 1 1 50 50 ALA CB C 40 18.800 18.800 18.246 0.554 18547 12270 1 13 . 1 1 50 50 ALA H H 40 7.770 7.770 7.855 -0.085 18547 12271 1 13 . 1 1 51 51 CYS N N 41 109.400 109.400 116.625 -7.225 18547 12272 1 13 . 1 1 51 51 CYS HA H 41 4.510 4.510 4.620 -0.110 18547 12273 1 13 . 1 1 51 51 CYS C C 41 172.200 172.200 176.065 -3.865 18547 12274 1 13 . 1 1 51 51 CYS CA C 41 61.100 61.100 62.057 -0.957 18547 12275 1 13 . 1 1 51 51 CYS CB C 41 29.800 29.800 26.731 3.069 18547 12276 1 13 . 1 1 51 51 CYS H H 41 7.080 7.080 8.155 -1.075 18547 12277 1 13 . 1 1 52 52 THR N N 42 100.100 100.100 112.179 -12.079 18547 12278 1 13 . 1 1 52 52 THR HA H 42 4.240 4.240 4.236 0.004 18547 12279 1 13 . 1 1 52 52 THR C C 42 173.500 173.500 174.664 -1.164 18547 12280 1 13 . 1 1 52 52 THR CA C 42 62.200 62.200 62.342 -0.142 18547 12281 1 13 . 1 1 52 52 THR CB C 42 71.800 71.800 69.761 2.039 18547 12282 1 13 . 1 1 52 52 THR H H 42 6.800 6.800 7.492 -0.692 18547 12283 1 13 . 1 1 53 53 ASP N N 43 123.000 123.000 124.648 -1.648 18547 12284 1 13 . 1 1 53 53 ASP HA H 43 5.080 5.080 4.913 0.167 18547 12285 1 13 . 1 1 53 53 ASP CA C 43 50.600 50.600 52.413 -1.813 18547 12286 1 13 . 1 1 53 53 ASP CB C 43 42.000 42.000 42.816 -0.817 18547 12287 1 13 . 1 1 53 53 ASP H H 43 8.040 8.040 7.619 0.421 18547 12288 1 13 . 1 1 54 54 PRO HA H 44 3.960 3.960 4.083 -0.123 18547 12289 1 13 . 1 1 54 54 PRO C C 44 176.300 176.300 177.950 -1.650 18547 12290 1 13 . 1 1 54 54 PRO CA C 44 65.900 65.900 66.176 -0.276 18547 12291 1 13 . 1 1 54 54 PRO CB C 44 32.700 32.700 31.855 0.845 18547 12292 1 13 . 1 1 55 55 ASN N N 45 112.700 112.700 113.740 -1.040 18547 12293 1 13 . 1 1 55 55 ASN HA H 45 4.520 4.520 4.385 0.135 18547 12294 1 13 . 1 1 55 55 ASN C C 45 175.900 175.900 177.020 -1.120 18547 12295 1 13 . 1 1 55 55 ASN CA C 45 55.100 55.100 55.835 -0.735 18547 12296 1 13 . 1 1 55 55 ASN CB C 45 38.900 38.900 38.224 0.676 18547 12297 1 13 . 1 1 55 55 ASN H H 45 8.160 8.160 8.810 -0.650 18547 12298 1 13 . 1 1 56 56 ARG N N 46 117.700 117.700 118.229 -0.529 18547 12299 1 13 . 1 1 56 56 ARG HA H 46 4.250 4.250 4.188 0.062 18547 12300 1 13 . 1 1 56 56 ARG C C 46 177.100 177.100 178.501 -1.401 18547 12301 1 13 . 1 1 56 56 ARG CA C 46 58.400 58.400 57.716 0.684 18547 12302 1 13 . 1 1 56 56 ARG CB C 46 31.800 31.800 30.130 1.670 18547 12303 1 13 . 1 1 56 56 ARG H H 46 7.940 7.940 7.769 0.171 18547 12304 1 13 . 1 1 57 57 ILE N N 47 120.100 120.100 119.827 0.273 18547 12305 1 13 . 1 1 57 57 ILE HA H 47 3.420 3.420 3.027 0.393 18547 12306 1 13 . 1 1 57 57 ILE C C 47 177.400 177.400 177.317 0.083 18547 12307 1 13 . 1 1 57 57 ILE CA C 47 64.400 64.400 64.313 0.087 18547 12308 1 13 . 1 1 57 57 ILE CB C 47 39.500 39.500 37.361 2.139 18547 12309 1 13 . 1 1 57 57 ILE H H 47 8.610 8.610 7.929 0.681 18547 12310 1 13 . 1 1 58 58 ASN N N 48 112.100 112.100 117.337 -5.237 18547 12311 1 13 . 1 1 58 58 ASN HA H 48 3.780 3.780 4.223 -0.443 18547 12312 1 13 . 1 1 58 58 ASN C C 48 175.300 175.300 177.126 -1.826 18547 12313 1 13 . 1 1 58 58 ASN CA C 48 54.400 54.400 55.993 -1.593 18547 12314 1 13 . 1 1 58 58 ASN CB C 48 38.200 38.200 38.493 -0.293 18547 12315 1 13 . 1 1 58 58 ASN H H 48 7.440 7.440 8.255 -0.815 18547 12316 1 13 . 1 1 59 59 ARG N N 49 115.600 115.600 119.089 -3.489 18547 12317 1 13 . 1 1 59 59 ARG HA H 49 4.120 4.120 4.139 -0.019 18547 12318 1 13 . 1 1 59 59 ARG C C 49 174.700 174.700 177.192 -2.492 18547 12319 1 13 . 1 1 59 59 ARG CA C 49 55.900 55.900 57.571 -1.671 18547 12320 1 13 . 1 1 59 59 ARG CB C 49 29.900 29.900 30.001 -0.101 18547 12321 1 13 . 1 1 59 59 ARG H H 49 7.370 7.370 7.181 0.189 18547 12322 1 13 . 1 1 60 60 TRP N N 50 112.500 112.500 116.346 -3.846 18547 12323 1 13 . 1 1 60 60 TRP HA H 50 4.860 4.860 4.686 0.174 18547 12324 1 13 . 1 1 60 60 TRP C C 50 173.400 173.400 175.458 -2.058 18547 12325 1 13 . 1 1 60 60 TRP CA C 50 55.800 55.800 57.036 -1.236 18547 12326 1 13 . 1 1 60 60 TRP CB C 50 31.500 31.500 30.188 1.312 18547 12327 1 13 . 1 1 60 60 TRP H H 50 6.860 6.860 7.062 -0.202 18547 12328 1 13 . 1 1 61 61 PHE N N 51 126.400 126.400 118.910 7.490 18547 12329 1 13 . 1 1 61 61 PHE HA H 51 4.690 4.690 4.611 0.079 18547 12330 1 13 . 1 1 61 61 PHE C C 51 173.000 173.000 173.772 -0.772 18547 12331 1 13 . 1 1 61 61 PHE CA C 51 55.000 55.000 57.227 -2.227 18547 12332 1 13 . 1 1 61 61 PHE CB C 51 37.600 37.600 41.080 -3.480 18547 12333 1 13 . 1 1 61 61 PHE H H 51 7.830 7.830 7.313 0.517 18547 12334 1 13 . 1 1 62 62 ILE N N 52 126.800 126.800 119.482 7.318 18547 12335 1 13 . 1 1 62 62 ILE HA H 52 3.760 3.760 4.143 -0.383 18547 12336 1 13 . 1 1 62 62 ILE C C 52 172.600 172.600 174.083 -1.483 18547 12337 1 13 . 1 1 62 62 ILE CA C 52 59.900 59.900 59.522 0.378 18547 12338 1 13 . 1 1 62 62 ILE CB C 52 41.600 41.600 41.725 -0.125 18547 12339 1 13 . 1 1 62 62 ILE H H 52 6.010 6.010 7.230 -1.220 18547 12340 1 13 . 1 1 63 63 GLU N N 53 124.400 124.400 122.751 1.649 18547 12341 1 13 . 1 1 63 63 GLU HA H 53 3.850 3.850 4.264 -0.414 18547 12342 1 13 . 1 1 63 63 GLU CA C 53 54.800 54.800 54.614 0.186 18547 12343 1 13 . 1 1 63 63 GLU CB C 53 31.700 31.700 28.931 2.769 18547 12344 1 13 . 1 1 63 63 GLU H H 53 8.280 8.280 8.373 -0.093 18547 12345 1 13 . 1 1 64 64 PRO HA H 54 4.920 4.920 5.255 -0.335 18547 12346 1 13 . 1 1 64 64 PRO C C 54 175.500 175.500 176.380 -0.880 18547 12347 1 13 . 1 1 64 64 PRO CA C 54 62.000 62.000 61.225 0.775 18547 12348 1 13 . 1 1 64 64 PRO CB C 54 31.800 31.800 33.861 -2.061 18547 12349 1 13 . 1 1 65 65 LYS N N 55 120.200 120.200 118.961 1.239 18547 12350 1 13 . 1 1 65 65 LYS HA H 55 4.780 4.780 4.716 0.064 18547 12351 1 13 . 1 1 65 65 LYS C C 55 176.000 176.000 175.269 0.731 18547 12352 1 13 . 1 1 65 65 LYS CA C 55 54.200 54.200 55.445 -1.245 18547 12353 1 13 . 1 1 65 65 LYS CB C 55 35.300 35.300 36.938 -1.637 18547 12354 1 13 . 1 1 65 65 LYS H H 55 8.370 8.370 8.706 -0.336 18547 12355 1 13 . 1 1 66 66 GLY N N 56 109.400 109.400 109.718 -0.318 18547 12356 1 13 . 1 1 66 66 GLY C C 56 171.400 171.400 173.501 -2.101 18547 12357 1 13 . 1 1 66 66 GLY CA C 56 45.400 45.400 45.077 0.323 18547 12358 1 13 . 1 1 66 66 GLY H H 56 8.640 8.640 8.028 0.612 18547 12359 1 13 . 1 1 67 67 ASP N N 57 123.800 123.800 122.563 1.237 18547 12360 1 13 . 1 1 67 67 ASP HA H 57 4.900 4.900 4.727 0.173 18547 12361 1 13 . 1 1 67 67 ASP C C 57 175.600 175.600 177.484 -1.884 18547 12362 1 13 . 1 1 67 67 ASP CA C 57 52.400 52.400 55.741 -3.341 18547 12363 1 13 . 1 1 67 67 ASP CB C 57 40.700 40.700 41.544 -0.844 18547 12364 1 13 . 1 1 67 67 ASP H H 57 7.790 7.790 8.299 -0.509 18547 12365 1 13 . 1 1 68 68 LEU N N 58 122.800 122.800 114.683 8.117 18547 12366 1 13 . 1 1 68 68 LEU HA H 58 4.270 4.270 3.976 0.294 18547 12367 1 13 . 1 1 68 68 LEU C C 58 173.700 173.700 175.563 -1.863 18547 12368 1 13 . 1 1 68 68 LEU CA C 58 54.500 54.500 55.816 -1.316 18547 12369 1 13 . 1 1 68 68 LEU CB C 58 38.300 38.300 40.585 -2.285 18547 12370 1 13 . 1 1 68 68 LEU H H 58 8.330 8.330 7.805 0.525 18547 12371 1 13 . 1 1 69 69 ARG N N 59 121.800 121.800 117.590 4.210 18547 12372 1 13 . 1 1 69 69 ARG HA H 59 4.710 4.710 4.705 0.005 18547 12373 1 13 . 1 1 69 69 ARG CA C 59 54.100 54.100 53.435 0.665 18547 12374 1 13 . 1 1 69 69 ARG CB C 59 31.800 31.800 31.709 0.091 18547 12375 1 13 . 1 1 69 69 ARG H H 59 8.120 8.120 7.656 0.464 18547 12376 1 13 . 1 1 70 70 GLU N N 60 122.800 122.800 122.288 0.512 18547 12377 1 13 . 1 1 70 70 GLU HA H 60 3.870 3.870 4.005 -0.135 18547 12378 1 13 . 1 1 70 70 GLU C C 60 177.200 177.200 177.527 -0.327 18547 12379 1 13 . 1 1 70 70 GLU CA C 60 60.000 60.000 58.369 1.631 18547 12380 1 13 . 1 1 70 70 GLU CB C 60 30.200 30.200 29.803 0.397 18547 12381 1 13 . 1 1 70 70 GLU H H 60 9.130 9.130 8.792 0.338 18547 12382 1 13 . 1 1 71 71 GLY N N 61 117.100 117.100 114.752 2.348 18547 12383 1 13 . 1 1 71 71 GLY C C 61 174.900 174.900 173.979 0.921 18547 12384 1 13 . 1 1 71 71 GLY CA C 61 45.600 45.600 44.839 0.761 18547 12385 1 13 . 1 1 71 71 GLY H H 61 8.710 8.710 8.618 0.092 18547 12386 1 13 . 1 1 72 72 GLY N N 62 110.300 110.300 108.862 1.438 18547 12387 1 13 . 1 1 72 72 GLY C C 62 174.200 174.200 172.208 1.992 18547 12388 1 13 . 1 1 72 72 GLY CA C 62 43.400 43.400 43.632 -0.232 18547 12389 1 13 . 1 1 72 72 GLY H H 62 8.760 8.760 8.293 0.467 18547 12390 1 13 . 1 1 73 73 ASN N N 63 117.800 117.800 116.106 1.694 18547 12391 1 13 . 1 1 73 73 ASN HA H 63 5.490 5.490 5.405 0.085 18547 12392 1 13 . 1 1 73 73 ASN C C 63 171.400 171.400 173.432 -2.032 18547 12393 1 13 . 1 1 73 73 ASN CA C 63 52.900 52.900 52.642 0.258 18547 12394 1 13 . 1 1 73 73 ASN CB C 63 41.500 41.500 42.183 -0.683 18547 12395 1 13 . 1 1 73 73 ASN H H 63 8.890 8.890 8.401 0.489 18547 12396 1 13 . 1 1 74 74 PHE N N 64 113.500 113.500 114.750 -1.250 18547 12397 1 13 . 1 1 74 74 PHE HA H 64 5.500 5.500 5.528 -0.028 18547 12398 1 13 . 1 1 74 74 PHE C C 64 173.200 173.200 173.560 -0.360 18547 12399 1 13 . 1 1 74 74 PHE CA C 64 55.900 55.900 55.203 0.697 18547 12400 1 13 . 1 1 74 74 PHE CB C 64 44.600 44.600 42.981 1.619 18547 12401 1 13 . 1 1 74 74 PHE H H 64 8.700 8.700 8.821 -0.121 18547 12402 1 13 . 1 1 75 75 ALA N N 65 122.200 122.200 121.020 1.180 18547 12403 1 13 . 1 1 75 75 ALA HA H 65 4.350 4.350 4.558 -0.208 18547 12404 1 13 . 1 1 75 75 ALA C C 65 176.000 176.000 175.080 0.920 18547 12405 1 13 . 1 1 75 75 ALA CA C 65 52.500 52.500 51.668 0.832 18547 12406 1 13 . 1 1 75 75 ALA CB C 65 21.800 21.800 21.386 0.414 18547 12407 1 13 . 1 1 75 75 ALA H H 65 8.690 8.690 8.869 -0.179 18547 12408 1 13 . 1 1 76 76 LEU N N 66 123.800 123.800 124.298 -0.498 18547 12409 1 13 . 1 1 76 76 LEU HA H 66 4.520 4.520 4.825 -0.305 18547 12410 1 13 . 1 1 76 76 LEU C C 66 175.800 175.800 176.914 -1.114 18547 12411 1 13 . 1 1 76 76 LEU CA C 66 52.500 52.500 53.750 -1.250 18547 12412 1 13 . 1 1 76 76 LEU CB C 66 42.400 42.400 43.363 -0.963 18547 12413 1 13 . 1 1 76 76 LEU H H 66 8.350 8.350 8.509 -0.159 18547 12414 1 13 . 1 1 77 77 GLN N N 67 127.400 127.400 123.649 3.751 18547 12415 1 13 . 1 1 77 77 GLN HA H 67 3.900 3.900 4.213 -0.313 18547 12416 1 13 . 1 1 77 77 GLN C C 67 176.600 176.600 176.425 0.175 18547 12417 1 13 . 1 1 77 77 GLN CA C 67 57.800 57.800 56.019 1.781 18547 12418 1 13 . 1 1 77 77 GLN CB C 67 28.000 28.000 28.553 -0.553 18547 12419 1 13 . 1 1 77 77 GLN H H 67 8.590 8.590 7.991 0.599 18547 12420 1 13 . 1 1 78 78 GLY N N 68 114.800 114.800 115.426 -0.626 18547 12421 1 13 . 1 1 78 78 GLY C C 68 173.700 173.700 173.647 0.053 18547 12422 1 13 . 1 1 78 78 GLY CA C 68 45.700 45.700 45.099 0.601 18547 12423 1 13 . 1 1 78 78 GLY H H 68 8.920 8.920 8.508 0.412 18547 12424 1 13 . 1 1 79 79 ASN N N 69 124.000 124.000 118.306 5.694 18547 12425 1 13 . 1 1 79 79 ASN HA H 69 4.600 4.600 4.904 -0.304 18547 12426 1 13 . 1 1 79 79 ASN C C 69 173.300 173.300 172.768 0.532 18547 12427 1 13 . 1 1 79 79 ASN CA C 69 52.900 52.900 53.441 -0.541 18547 12428 1 13 . 1 1 79 79 ASN CB C 69 41.600 41.600 39.407 2.193 18547 12429 1 13 . 1 1 79 79 ASN H H 69 8.360 8.360 7.984 0.376 18547 12430 1 13 . 1 1 80 80 ALA N N 70 127.200 127.200 119.515 7.685 18547 12431 1 13 . 1 1 80 80 ALA HA H 70 4.170 4.170 4.310 -0.140 18547 12432 1 13 . 1 1 80 80 ALA C C 70 174.500 174.500 174.918 -0.418 18547 12433 1 13 . 1 1 80 80 ALA CA C 70 52.500 52.500 51.179 1.321 18547 12434 1 13 . 1 1 80 80 ALA CB C 70 18.600 18.600 21.036 -2.436 18547 12435 1 13 . 1 1 80 80 ALA H H 70 8.930 8.930 7.820 1.110 18547 12436 1 13 . 1 1 81 81 SER N N 71 111.000 111.000 113.968 -2.968 18547 12437 1 13 . 1 1 81 81 SER HA H 71 4.170 4.170 4.776 -0.606 18547 12438 1 13 . 1 1 81 81 SER C C 71 170.900 170.900 173.126 -2.226 18547 12439 1 13 . 1 1 81 81 SER CA C 71 56.300 56.300 56.264 0.036 18547 12440 1 13 . 1 1 81 81 SER CB C 71 66.600 66.600 66.459 0.141 18547 12441 1 13 . 1 1 81 81 SER H H 71 7.980 7.980 7.884 0.096 18547 12442 1 13 . 1 1 82 82 GLY N N 72 102.700 102.700 108.377 -5.677 18547 12443 1 13 . 1 1 82 82 GLY C C 72 171.700 171.700 171.245 0.455 18547 12444 1 13 . 1 1 82 82 GLY CA C 72 46.200 46.200 44.014 2.186 18547 12445 1 13 . 1 1 82 82 GLY H H 72 6.940 6.940 7.342 -0.402 18547 12446 1 13 . 1 1 83 83 ASP N N 73 117.900 117.900 119.871 -1.971 18547 12447 1 13 . 1 1 83 83 ASP HA H 73 5.430 5.430 5.199 0.231 18547 12448 1 13 . 1 1 83 83 ASP C C 73 176.100 176.100 175.994 0.106 18547 12449 1 13 . 1 1 83 83 ASP CA C 73 52.700 52.700 54.565 -1.865 18547 12450 1 13 . 1 1 83 83 ASP CB C 73 43.600 43.600 43.248 0.352 18547 12451 1 13 . 1 1 83 83 ASP H H 73 8.770 8.770 8.400 0.370 18547 12452 1 13 . 1 1 84 84 ILE N N 74 120.200 120.200 121.202 -1.002 18547 12453 1 13 . 1 1 84 84 ILE HA H 74 4.530 4.530 4.394 0.136 18547 12454 1 13 . 1 1 84 84 ILE C C 74 175.600 175.600 176.423 -0.823 18547 12455 1 13 . 1 1 84 84 ILE CA C 74 61.700 61.700 59.167 2.533 18547 12456 1 13 . 1 1 84 84 ILE CB C 74 36.700 36.700 36.104 0.596 18547 12457 1 13 . 1 1 84 84 ILE H H 74 8.060 8.060 8.487 -0.427 18547 12458 1 13 . 1 1 85 85 LEU N N 75 130.400 130.400 128.389 2.011 18547 12459 1 13 . 1 1 85 85 LEU HA H 75 4.330 4.330 4.411 -0.081 18547 12460 1 13 . 1 1 85 85 LEU C C 75 178.100 178.100 177.168 0.932 18547 12461 1 13 . 1 1 85 85 LEU CA C 75 57.000 57.000 56.708 0.292 18547 12462 1 13 . 1 1 85 85 LEU CB C 75 42.000 42.000 42.697 -0.697 18547 12463 1 13 . 1 1 85 85 LEU H H 75 8.710 8.710 8.523 0.187 18547 12464 1 13 . 1 1 86 86 ARG N N 76 115.700 115.700 117.207 -1.507 18547 12465 1 13 . 1 1 86 86 ARG HA H 76 4.840 4.840 4.680 0.160 18547 12466 1 13 . 1 1 86 86 ARG C C 76 174.900 174.900 173.505 1.395 18547 12467 1 13 . 1 1 86 86 ARG CA C 76 54.700 54.700 55.986 -1.286 18547 12468 1 13 . 1 1 86 86 ARG CB C 76 33.900 33.900 34.085 -0.185 18547 12469 1 13 . 1 1 86 86 ARG H H 76 8.130 8.130 7.897 0.233 18547 12470 1 13 . 1 1 87 87 CYS N N 77 127.100 127.100 122.600 4.500 18547 12471 1 13 . 1 1 87 87 CYS HA H 77 5.130 5.130 5.607 -0.477 18547 12472 1 13 . 1 1 87 87 CYS C C 77 171.700 171.700 173.642 -1.942 18547 12473 1 13 . 1 1 87 87 CYS CA C 77 54.600 54.600 56.857 -2.257 18547 12474 1 13 . 1 1 87 87 CYS CB C 77 33.000 33.000 29.573 3.427 18547 12475 1 13 . 1 1 87 87 CYS H H 77 10.630 10.630 9.020 1.610 18547 12476 1 13 . 1 1 88 88 GLU N N 78 128.200 128.200 125.189 3.011 18547 12477 1 13 . 1 1 88 88 GLU HA H 78 4.950 4.950 4.665 0.285 18547 12478 1 13 . 1 1 88 88 GLU CA C 78 52.100 52.100 53.519 -1.419 18547 12479 1 13 . 1 1 88 88 GLU CB C 78 30.500 30.500 30.275 0.225 18547 12480 1 13 . 1 1 88 88 GLU H H 78 9.460 9.460 8.480 0.980 18547 12481 1 13 . 1 1 89 89 PRO HA H 79 2.780 2.780 3.522 -0.742 18547 12482 1 13 . 1 1 89 89 PRO CA C 79 60.500 60.500 60.686 -0.186 18547 12483 1 13 . 1 1 89 89 PRO CB C 79 31.600 31.600 31.818 -0.218 18547 12484 1 13 . 1 1 90 90 PRO HA H 80 2.250 2.250 2.928 -0.678 18547 12485 1 13 . 1 1 90 90 PRO C C 80 171.400 171.400 176.245 -4.845 18547 12486 1 13 . 1 1 90 90 PRO CA C 80 63.700 63.700 61.338 2.362 18547 12487 1 13 . 1 1 90 90 PRO CB C 80 30.500 30.500 31.954 -1.454 18547 12488 1 13 . 1 1 91 91 ARG N N 81 113.700 113.700 117.448 -3.748 18547 12489 1 13 . 1 1 91 91 ARG HA H 81 4.700 4.700 4.000 0.700 18547 12490 1 13 . 1 1 91 91 ARG C C 81 176.500 176.500 175.729 0.771 18547 12491 1 13 . 1 1 91 91 ARG CA C 81 57.400 57.400 58.954 -1.554 18547 12492 1 13 . 1 1 91 91 ARG CB C 81 34.200 34.200 31.065 3.135 18547 12493 1 13 . 1 1 91 91 ARG H H 81 7.640 7.640 7.238 0.402 18547 12494 1 13 . 1 1 92 92 ARG N N 82 121.000 121.000 113.578 7.422 18547 12495 1 13 . 1 1 92 92 ARG HA H 82 5.700 5.700 5.124 0.576 18547 12496 1 13 . 1 1 92 92 ARG C C 82 172.700 172.700 173.984 -1.284 18547 12497 1 13 . 1 1 92 92 ARG CA C 82 55.900 55.900 54.749 1.151 18547 12498 1 13 . 1 1 92 92 ARG CB C 82 34.100 34.100 32.881 1.219 18547 12499 1 13 . 1 1 92 92 ARG H H 82 7.710 7.710 7.827 -0.117 18547 12500 1 13 . 1 1 93 93 LEU N N 83 130.800 130.800 122.401 8.399 18547 12501 1 13 . 1 1 93 93 LEU HA H 83 5.250 5.250 5.155 0.095 18547 12502 1 13 . 1 1 93 93 LEU C C 83 174.000 174.000 175.316 -1.316 18547 12503 1 13 . 1 1 93 93 LEU CA C 83 53.700 53.700 54.016 -0.316 18547 12504 1 13 . 1 1 93 93 LEU CB C 83 47.100 47.100 45.941 1.159 18547 12505 1 13 . 1 1 93 93 LEU H H 83 9.080 9.080 9.026 0.054 18547 12506 1 13 . 1 1 94 94 THR N N 84 124.200 124.200 122.256 1.944 18547 12507 1 13 . 1 1 94 94 THR HA H 84 5.340 5.340 5.046 0.294 18547 12508 1 13 . 1 1 94 94 THR C C 84 174.100 174.100 173.369 0.731 18547 12509 1 13 . 1 1 94 94 THR CA C 84 62.700 62.700 62.282 0.418 18547 12510 1 13 . 1 1 94 94 THR CB C 84 69.600 69.600 70.339 -0.739 18547 12511 1 13 . 1 1 94 94 THR H H 84 9.310 9.310 8.751 0.559 18547 12512 1 13 . 1 1 95 95 ILE N N 85 121.600 121.600 122.254 -0.654 18547 12513 1 13 . 1 1 95 95 ILE HA H 85 5.630 5.630 5.192 0.438 18547 12514 1 13 . 1 1 95 95 ILE C C 85 175.000 175.000 173.891 1.109 18547 12515 1 13 . 1 1 95 95 ILE CA C 85 59.300 59.300 59.138 0.162 18547 12516 1 13 . 1 1 95 95 ILE CB C 85 40.900 40.900 42.686 -1.786 18547 12517 1 13 . 1 1 95 95 ILE H H 85 9.700 9.700 9.213 0.486 18547 12518 1 13 . 1 1 96 96 SER N N 86 117.900 117.900 117.652 0.248 18547 12519 1 13 . 1 1 96 96 SER HA H 86 5.270 5.270 4.920 0.350 18547 12520 1 13 . 1 1 96 96 SER C C 86 172.200 172.200 173.373 -1.173 18547 12521 1 13 . 1 1 96 96 SER CA C 86 57.600 57.600 57.930 -0.330 18547 12522 1 13 . 1 1 96 96 SER CB C 86 65.700 65.700 64.654 1.046 18547 12523 1 13 . 1 1 96 96 SER H H 86 9.290 9.290 8.419 0.871 18547 12524 1 13 . 1 1 97 97 TRP N N 87 120.000 120.000 124.290 -4.290 18547 12525 1 13 . 1 1 97 97 TRP HA H 87 5.130 5.130 5.010 0.120 18547 12526 1 13 . 1 1 97 97 TRP C C 87 175.500 175.500 173.822 1.678 18547 12527 1 13 . 1 1 97 97 TRP CA C 87 57.900 57.900 56.953 0.947 18547 12528 1 13 . 1 1 97 97 TRP CB C 87 31.500 31.500 32.347 -0.847 18547 12529 1 13 . 1 1 97 97 TRP H H 87 7.790 7.790 8.500 -0.710 18547 12530 1 13 . 1 1 98 98 VAL N N 88 132.200 132.200 130.127 2.073 18547 12531 1 13 . 1 1 98 98 VAL HA H 88 4.460 4.460 4.363 0.097 18547 12532 1 13 . 1 1 98 98 VAL C C 88 175.100 175.100 174.308 0.792 18547 12533 1 13 . 1 1 98 98 VAL CA C 88 62.000 62.000 60.623 1.377 18547 12534 1 13 . 1 1 98 98 VAL CB C 88 32.500 32.500 31.199 1.301 18547 12535 1 13 . 1 1 98 98 VAL H H 88 9.620 9.620 8.253 1.367 18547 12536 1 13 . 1 1 99 99 TYR N N 89 130.300 130.300 128.433 1.867 18547 12537 1 13 . 1 1 99 99 TYR HA H 89 4.440 4.440 4.419 0.021 18547 12538 1 13 . 1 1 99 99 TYR C C 89 173.900 173.900 175.081 -1.181 18547 12539 1 13 . 1 1 99 99 TYR CA C 89 56.800 56.800 56.607 0.193 18547 12540 1 13 . 1 1 99 99 TYR CB C 89 42.100 42.100 40.857 1.243 18547 12541 1 13 . 1 1 99 99 TYR H H 89 9.670 9.670 8.637 1.033 18547 12542 1 13 . 1 1 100 100 GLU N N 90 127.100 127.100 124.301 2.799 18547 12543 1 13 . 1 1 100 100 GLU HA H 90 3.940 3.940 3.869 0.071 18547 12544 1 13 . 1 1 100 100 GLU C C 90 176.700 176.700 176.823 -0.123 18547 12545 1 13 . 1 1 100 100 GLU CA C 90 58.300 58.300 57.724 0.576 18547 12546 1 13 . 1 1 100 100 GLU CB C 90 29.200 29.200 28.515 0.685 18547 12547 1 13 . 1 1 100 100 GLU H H 90 8.080 8.080 8.026 0.054 18547 12548 1 13 . 1 1 101 101 GLY N N 91 113.100 113.100 111.945 1.155 18547 12549 1 13 . 1 1 101 101 GLY C C 91 173.900 173.900 174.070 -0.170 18547 12550 1 13 . 1 1 101 101 GLY CA C 91 45.200 45.200 45.313 -0.113 18547 12551 1 13 . 1 1 101 101 GLY H H 91 8.850 8.850 8.546 0.304 18547 12552 1 13 . 1 1 102 102 LYS N N 92 120.100 120.100 120.553 -0.453 18547 12553 1 13 . 1 1 102 102 LYS HA H 92 4.990 4.990 4.960 0.030 18547 12554 1 13 . 1 1 102 102 LYS CA C 92 52.500 52.500 52.887 -0.387 18547 12555 1 13 . 1 1 102 102 LYS CB C 92 33.200 33.200 33.713 -0.513 18547 12556 1 13 . 1 1 102 102 LYS H H 92 8.270 8.270 7.725 0.545 18547 12557 1 13 . 1 1 103 103 PRO HA H 93 4.620 4.620 4.523 0.097 18547 12558 1 13 . 1 1 103 103 PRO C C 93 176.700 176.700 176.376 0.324 18547 12559 1 13 . 1 1 103 103 PRO CA C 93 62.400 62.400 62.390 0.010 18547 12560 1 13 . 1 1 103 103 PRO CB C 93 31.400 31.400 32.213 -0.813 18547 12561 1 13 . 1 1 104 104 ASP N N 94 124.500 124.500 118.870 5.630 18547 12562 1 13 . 1 1 104 104 ASP HA H 94 4.860 4.860 4.493 0.367 18547 12563 1 13 . 1 1 104 104 ASP C C 94 177.100 177.100 176.021 1.079 18547 12564 1 13 . 1 1 104 104 ASP CA C 94 55.900 55.900 54.185 1.715 18547 12565 1 13 . 1 1 104 104 ASP CB C 94 40.500 40.500 40.088 0.412 18547 12566 1 13 . 1 1 104 104 ASP H H 94 8.850 8.850 8.473 0.377 18547 12567 1 13 . 1 1 105 105 SER N N 95 118.600 118.600 118.911 -0.311 18547 12568 1 13 . 1 1 105 105 SER HA H 95 5.280 5.280 4.691 0.589 18547 12569 1 13 . 1 1 105 105 SER C C 95 173.700 173.700 174.219 -0.519 18547 12570 1 13 . 1 1 105 105 SER CA C 95 57.900 57.900 58.342 -0.442 18547 12571 1 13 . 1 1 105 105 SER CB C 95 65.600 65.600 64.877 0.723 18547 12572 1 13 . 1 1 105 105 SER H H 95 9.260 9.260 8.472 0.788 18547 12573 1 13 . 1 1 106 106 GLU N N 96 124.100 124.100 121.796 2.304 18547 12574 1 13 . 1 1 106 106 GLU HA H 96 5.180 5.180 4.758 0.422 18547 12575 1 13 . 1 1 106 106 GLU C C 96 172.400 172.400 174.405 -2.005 18547 12576 1 13 . 1 1 106 106 GLU CA C 96 57.200 57.200 55.430 1.770 18547 12577 1 13 . 1 1 106 106 GLU CB C 96 36.100 36.100 32.743 3.357 18547 12578 1 13 . 1 1 106 106 GLU H H 96 8.620 8.620 8.502 0.118 18547 12579 1 13 . 1 1 107 107 VAL N N 97 128.100 128.100 125.367 2.733 18547 12580 1 13 . 1 1 107 107 VAL HA H 97 4.770 4.770 5.159 -0.389 18547 12581 1 13 . 1 1 107 107 VAL C C 97 173.100 173.100 173.909 -0.809 18547 12582 1 13 . 1 1 107 107 VAL CA C 97 60.100 60.100 60.062 0.038 18547 12583 1 13 . 1 1 107 107 VAL CB C 97 34.200 34.200 35.925 -1.725 18547 12584 1 13 . 1 1 107 107 VAL H H 97 9.180 9.180 9.064 0.116 18547 12585 1 13 . 1 1 108 108 GLU N N 98 126.200 126.200 124.743 1.457 18547 12586 1 13 . 1 1 108 108 GLU HA H 98 5.580 5.580 5.000 0.580 18547 12587 1 13 . 1 1 108 108 GLU C C 98 172.100 172.100 173.832 -1.732 18547 12588 1 13 . 1 1 108 108 GLU CA C 98 54.200 54.200 54.264 -0.063 18547 12589 1 13 . 1 1 108 108 GLU CB C 98 35.200 35.200 34.336 0.865 18547 12590 1 13 . 1 1 108 108 GLU H H 98 9.300 9.300 8.508 0.792 18547 12591 1 13 . 1 1 109 109 LEU N N 99 128.600 128.600 126.058 2.542 18547 12592 1 13 . 1 1 109 109 LEU HA H 99 5.080 5.080 4.995 0.085 18547 12593 1 13 . 1 1 109 109 LEU C C 99 175.100 175.100 174.073 1.027 18547 12594 1 13 . 1 1 109 109 LEU CA C 99 52.700 52.700 53.677 -0.977 18547 12595 1 13 . 1 1 109 109 LEU CB C 99 46.400 46.400 45.165 1.235 18547 12596 1 13 . 1 1 109 109 LEU H H 99 9.330 9.330 8.826 0.504 18547 12597 1 13 . 1 1 110 110 ARG N N 100 124.700 124.700 127.505 -2.805 18547 12598 1 13 . 1 1 110 110 ARG HA H 100 5.390 5.390 4.702 0.688 18547 12599 1 13 . 1 1 110 110 ARG C C 100 175.400 175.400 174.368 1.032 18547 12600 1 13 . 1 1 110 110 ARG CA C 100 54.600 54.600 54.672 -0.072 18547 12601 1 13 . 1 1 110 110 ARG CB C 100 34.100 34.100 33.148 0.952 18547 12602 1 13 . 1 1 110 110 ARG H H 100 9.430 9.430 8.697 0.733 18547 12603 1 13 . 1 1 111 111 LEU N N 101 122.900 122.900 129.255 -6.355 18547 12604 1 13 . 1 1 111 111 LEU HA H 101 5.620 5.620 5.360 0.260 18547 12605 1 13 . 1 1 111 111 LEU C C 101 177.100 177.100 175.695 1.405 18547 12606 1 13 . 1 1 111 111 LEU CA C 101 53.000 53.000 54.171 -1.171 18547 12607 1 13 . 1 1 111 111 LEU CB C 101 44.900 44.900 43.546 1.354 18547 12608 1 13 . 1 1 111 111 LEU H H 101 9.120 9.120 8.708 0.412 18547 12609 1 13 . 1 1 112 112 SER N N 102 113.800 113.800 118.220 -4.420 18547 12610 1 13 . 1 1 112 112 SER HA H 102 4.690 4.690 4.628 0.062 18547 12611 1 13 . 1 1 112 112 SER C C 102 172.700 172.700 172.805 -0.105 18547 12612 1 13 . 1 1 112 112 SER CA C 102 57.000 57.000 56.700 0.300 18547 12613 1 13 . 1 1 112 112 SER CB C 102 65.700 65.700 65.656 0.044 18547 12614 1 13 . 1 1 112 112 SER H H 102 8.770 8.770 8.874 -0.104 18547 12615 1 13 . 1 1 113 113 GLU N N 103 123.400 123.400 124.962 -1.562 18547 12616 1 13 . 1 1 113 113 GLU HA H 103 4.440 4.440 4.149 0.291 18547 12617 1 13 . 1 1 113 113 GLU C C 103 176.600 176.600 176.280 0.320 18547 12618 1 13 . 1 1 113 113 GLU CA C 103 57.500 57.500 57.788 -0.288 18547 12619 1 13 . 1 1 113 113 GLU CB C 103 30.200 30.200 30.336 -0.136 18547 12620 1 13 . 1 1 113 113 GLU H H 103 9.200 9.200 8.707 0.493 18547 12621 1 13 . 1 1 114 114 GLU N N 104 126.500 126.500 123.092 3.408 18547 12622 1 13 . 1 1 114 114 GLU HA H 104 4.450 4.450 4.417 0.033 18547 12623 1 13 . 1 1 114 114 GLU C C 104 175.600 175.600 175.146 0.454 18547 12624 1 13 . 1 1 114 114 GLU CA C 104 55.700 55.700 56.123 -0.423 18547 12625 1 13 . 1 1 114 114 GLU CB C 104 31.300 31.300 30.475 0.825 18547 12626 1 13 . 1 1 114 114 GLU H H 104 8.110 8.110 8.223 -0.113 18547 12627 1 13 . 1 1 115 115 GLY N N 105 118.000 118.000 111.934 6.066 18547 12628 1 13 . 1 1 115 115 GLY C C 105 174.700 174.700 174.488 0.212 18547 12629 1 13 . 1 1 115 115 GLY CA C 105 47.100 47.100 44.942 2.158 18547 12630 1 13 . 1 1 115 115 GLY H H 105 9.030 9.030 7.976 1.054 18547 12631 1 13 . 1 1 116 116 ASP N N 106 126.200 126.200 126.934 -0.734 18547 12632 1 13 . 1 1 116 116 ASP HA H 106 4.750 4.750 4.699 0.051 18547 12633 1 13 . 1 1 116 116 ASP C C 106 175.600 175.600 175.414 0.186 18547 12634 1 13 . 1 1 116 116 ASP CA C 106 54.300 54.300 54.308 -0.008 18547 12635 1 13 . 1 1 116 116 ASP CB C 106 40.800 40.800 39.212 1.588 18547 12636 1 13 . 1 1 116 116 ASP H H 106 8.800 8.800 8.482 0.318 18547 12637 1 13 . 1 1 117 117 GLY N N 107 109.500 109.500 106.706 2.794 18547 12638 1 13 . 1 1 117 117 GLY C C 107 174.400 174.400 172.158 2.242 18547 12639 1 13 . 1 1 117 117 GLY CA C 107 44.800 44.800 45.604 -0.804 18547 12640 1 13 . 1 1 117 117 GLY H H 107 8.040 8.040 7.448 0.592 18547 12641 1 13 . 1 1 118 118 THR N N 108 120.400 120.400 114.749 5.651 18547 12642 1 13 . 1 1 118 118 THR HA H 108 4.970 4.970 4.816 0.154 18547 12643 1 13 . 1 1 118 118 THR C C 108 173.000 173.000 172.651 0.349 18547 12644 1 13 . 1 1 118 118 THR CA C 108 63.500 63.500 62.556 0.944 18547 12645 1 13 . 1 1 118 118 THR CB C 108 73.000 73.000 72.594 0.406 18547 12646 1 13 . 1 1 118 118 THR H H 108 9.010 9.010 8.514 0.496 18547 12647 1 13 . 1 1 119 119 LEU N N 109 129.000 129.000 128.951 0.049 18547 12648 1 13 . 1 1 119 119 LEU HA H 109 4.790 4.790 5.005 -0.215 18547 12649 1 13 . 1 1 119 119 LEU C C 109 173.500 173.500 174.452 -0.952 18547 12650 1 13 . 1 1 119 119 LEU CA C 109 54.300 54.300 54.078 0.222 18547 12651 1 13 . 1 1 119 119 LEU CB C 109 42.900 42.900 43.255 -0.355 18547 12652 1 13 . 1 1 119 119 LEU H H 109 9.410 9.410 8.978 0.432 18547 12653 1 13 . 1 1 120 120 LEU N N 110 132.200 132.200 129.627 2.573 18547 12654 1 13 . 1 1 120 120 LEU HA H 110 4.820 4.820 5.091 -0.271 18547 12655 1 13 . 1 1 120 120 LEU C C 110 174.100 174.100 174.924 -0.824 18547 12656 1 13 . 1 1 120 120 LEU CA C 110 54.900 54.900 53.747 1.153 18547 12657 1 13 . 1 1 120 120 LEU CB C 110 45.300 45.300 44.849 0.451 18547 12658 1 13 . 1 1 120 120 LEU H H 110 9.430 9.430 9.027 0.403 18547 12659 1 13 . 1 1 121 121 GLU N N 111 125.800 125.800 124.820 0.980 18547 12660 1 13 . 1 1 121 121 GLU HA H 111 5.530 5.530 4.617 0.913 18547 12661 1 13 . 1 1 121 121 GLU C C 111 173.500 173.500 174.716 -1.216 18547 12662 1 13 . 1 1 121 121 GLU CA C 111 54.500 54.500 55.031 -0.531 18547 12663 1 13 . 1 1 121 121 GLU CB C 111 33.100 33.100 31.717 1.383 18547 12664 1 13 . 1 1 121 121 GLU H H 111 8.970 8.970 8.606 0.364 18547 12665 1 13 . 1 1 122 122 LEU N N 112 127.300 127.300 127.803 -0.503 18547 12666 1 13 . 1 1 122 122 LEU HA H 112 5.030 5.030 5.140 -0.110 18547 12667 1 13 . 1 1 122 122 LEU C C 112 173.700 173.700 174.652 -0.952 18547 12668 1 13 . 1 1 122 122 LEU CA C 112 53.200 53.200 53.501 -0.301 18547 12669 1 13 . 1 1 122 122 LEU CB C 112 45.400 45.400 45.193 0.207 18547 12670 1 13 . 1 1 122 122 LEU H H 112 8.950 8.950 8.569 0.381 18547 12671 1 13 . 1 1 123 123 GLU N N 113 127.900 127.900 127.999 -0.099 18547 12672 1 13 . 1 1 123 123 GLU HA H 113 5.750 5.750 5.131 0.619 18547 12673 1 13 . 1 1 123 123 GLU C C 113 174.200 174.200 174.447 -0.247 18547 12674 1 13 . 1 1 123 123 GLU CA C 113 52.900 52.900 54.493 -1.593 18547 12675 1 13 . 1 1 123 123 GLU CB C 113 33.300 33.300 32.295 1.004 18547 12676 1 13 . 1 1 123 123 GLU H H 113 9.350 9.350 8.747 0.603 18547 12677 1 13 . 1 1 124 124 HIS N N 114 128.200 128.200 127.135 1.065 18547 12678 1 13 . 1 1 124 124 HIS HA H 114 5.240 5.240 4.580 0.660 18547 12679 1 13 . 1 1 124 124 HIS C C 114 173.900 173.900 173.001 0.899 18547 12680 1 13 . 1 1 124 124 HIS CA C 114 54.300 54.300 54.837 -0.537 18547 12681 1 13 . 1 1 124 124 HIS CB C 114 34.600 34.600 31.755 2.845 18547 12682 1 13 . 1 1 124 124 HIS H H 114 8.770 8.770 8.111 0.659 18547 12683 1 13 . 1 1 125 125 ALA N N 115 128.600 128.600 131.210 -2.610 18547 12684 1 13 . 1 1 125 125 ALA HA H 115 5.150 5.150 5.438 -0.288 18547 12685 1 13 . 1 1 125 125 ALA C C 115 175.400 175.400 175.792 -0.392 18547 12686 1 13 . 1 1 125 125 ALA CA C 115 50.100 50.100 50.330 -0.230 18547 12687 1 13 . 1 1 125 125 ALA CB C 115 22.500 22.500 20.802 1.698 18547 12688 1 13 . 1 1 125 125 ALA H H 115 9.360 9.360 8.454 0.906 18547 12689 1 13 . 1 1 126 126 THR N N 116 115.800 115.800 118.077 -2.277 18547 12690 1 13 . 1 1 126 126 THR HA H 116 4.960 4.960 4.876 0.084 18547 12691 1 13 . 1 1 126 126 THR C C 116 172.200 172.200 175.477 -3.277 18547 12692 1 13 . 1 1 126 126 THR CA C 116 58.800 58.800 59.931 -1.131 18547 12693 1 13 . 1 1 126 126 THR CB C 116 69.200 69.200 71.758 -2.558 18547 12694 1 13 . 1 1 126 126 THR H H 116 8.760 8.760 8.033 0.727 18547 12695 1 13 . 1 1 127 127 THR N N 117 116.000 116.000 116.912 -0.912 18547 12696 1 13 . 1 1 127 127 THR HA H 117 4.390 4.390 4.271 0.119 18547 12697 1 13 . 1 1 127 127 THR C C 117 174.400 174.400 175.031 -0.631 18547 12698 1 13 . 1 1 127 127 THR CA C 117 62.900 62.900 63.881 -0.981 18547 12699 1 13 . 1 1 127 127 THR CB C 117 68.800 68.800 69.043 -0.243 18547 12700 1 13 . 1 1 127 127 THR H H 117 8.460 8.460 8.646 -0.186 18547 12701 1 13 . 1 1 128 128 SER N N 118 116.400 116.400 118.667 -2.267 18547 12702 1 13 . 1 1 128 128 SER HA H 118 4.890 4.890 4.568 0.322 18547 12703 1 13 . 1 1 128 128 SER C C 118 174.700 174.700 174.432 0.268 18547 12704 1 13 . 1 1 128 128 SER CA C 118 55.400 55.400 58.101 -2.701 18547 12705 1 13 . 1 1 128 128 SER CB C 118 63.000 63.000 63.323 -0.323 18547 12706 1 13 . 1 1 128 128 SER H H 118 7.730 7.730 7.658 0.072 18547 12707 1 13 . 1 1 129 129 GLU N N 119 130.300 130.300 128.250 2.050 18547 12708 1 13 . 1 1 129 129 GLU HA H 119 3.940 3.940 3.943 -0.003 18547 12709 1 13 . 1 1 129 129 GLU C C 119 178.400 178.400 178.506 -0.106 18547 12710 1 13 . 1 1 129 129 GLU CA C 119 59.900 59.900 60.218 -0.318 18547 12711 1 13 . 1 1 129 129 GLU CB C 119 29.700 29.700 29.813 -0.113 18547 12712 1 13 . 1 1 129 129 GLU H H 119 9.000 9.000 9.143 -0.143 18547 12713 1 13 . 1 1 130 130 GLN N N 120 117.300 117.300 118.317 -1.017 18547 12714 1 13 . 1 1 130 130 GLN HA H 120 4.120 4.120 4.074 0.046 18547 12715 1 13 . 1 1 130 130 GLN C C 120 177.900 177.900 177.826 0.074 18547 12716 1 13 . 1 1 130 130 GLN CA C 120 58.400 58.400 59.243 -0.843 18547 12717 1 13 . 1 1 130 130 GLN CB C 120 28.000 28.000 28.223 -0.223 18547 12718 1 13 . 1 1 130 130 GLN H H 120 8.410 8.410 8.483 -0.073 18547 12719 1 13 . 1 1 131 131 MET N N 121 118.300 118.300 119.469 -1.169 18547 12720 1 13 . 1 1 131 131 MET HA H 121 4.240 4.240 4.217 0.023 18547 12721 1 13 . 1 1 131 131 MET C C 121 176.400 176.400 178.170 -1.770 18547 12722 1 13 . 1 1 131 131 MET CA C 121 57.300 57.300 58.453 -1.153 18547 12723 1 13 . 1 1 131 131 MET CB C 121 32.400 32.400 32.324 0.076 18547 12724 1 13 . 1 1 131 131 MET H H 121 7.640 7.640 8.139 -0.499 18547 12725 1 13 . 1 1 132 132 LEU N N 122 118.700 118.700 119.362 -0.662 18547 12726 1 13 . 1 1 132 132 LEU HA H 122 3.630 3.630 3.871 -0.241 18547 12727 1 13 . 1 1 132 132 LEU C C 122 177.100 177.100 179.338 -2.238 18547 12728 1 13 . 1 1 132 132 LEU CA C 122 58.300 58.300 57.746 0.554 18547 12729 1 13 . 1 1 132 132 LEU CB C 122 41.900 41.900 41.612 0.288 18547 12730 1 13 . 1 1 132 132 LEU H H 122 7.470 7.470 7.882 -0.412 18547 12731 1 13 . 1 1 133 133 VAL N N 123 114.600 114.600 119.003 -4.403 18547 12732 1 13 . 1 1 133 133 VAL HA H 123 3.360 3.360 3.617 -0.257 18547 12733 1 13 . 1 1 133 133 VAL C C 123 176.700 176.700 177.867 -1.167 18547 12734 1 13 . 1 1 133 133 VAL CA C 123 66.600 66.600 67.182 -0.582 18547 12735 1 13 . 1 1 133 133 VAL CB C 123 31.800 31.800 31.587 0.213 18547 12736 1 13 . 1 1 133 133 VAL H H 123 7.040 7.040 7.645 -0.605 18547 12737 1 13 . 1 1 134 134 GLU N N 124 116.700 116.700 119.815 -3.115 18547 12738 1 13 . 1 1 134 134 GLU HA H 124 3.900 3.900 4.017 -0.117 18547 12739 1 13 . 1 1 134 134 GLU C C 124 180.700 180.700 179.002 1.698 18547 12740 1 13 . 1 1 134 134 GLU CA C 124 59.300 59.300 59.698 -0.398 18547 12741 1 13 . 1 1 134 134 GLU CB C 124 29.900 29.900 29.858 0.042 18547 12742 1 13 . 1 1 134 134 GLU H H 124 7.200 7.200 7.714 -0.514 18547 12743 1 13 . 1 1 135 135 VAL N N 125 114.700 114.700 114.815 -0.115 18547 12744 1 13 . 1 1 135 135 VAL HA H 125 3.930 3.930 3.858 0.072 18547 12745 1 13 . 1 1 135 135 VAL C C 125 177.900 177.900 177.842 0.058 18547 12746 1 13 . 1 1 135 135 VAL CA C 125 63.800 63.800 64.757 -0.957 18547 12747 1 13 . 1 1 135 135 VAL CB C 125 30.400 30.400 30.253 0.147 18547 12748 1 13 . 1 1 135 135 VAL H H 125 8.620 8.620 8.314 0.306 18547 12749 1 13 . 1 1 136 136 GLY N N 126 112.200 112.200 109.424 2.776 18547 12750 1 13 . 1 1 136 136 GLY C C 126 174.800 174.800 175.600 -0.800 18547 12751 1 13 . 1 1 136 136 GLY CA C 126 47.200 47.200 46.772 0.428 18547 12752 1 13 . 1 1 136 136 GLY H H 126 7.750 7.750 7.771 -0.021 18547 12753 1 13 . 1 1 137 137 VAL N N 127 119.100 119.100 122.071 -2.971 18547 12754 1 13 . 1 1 137 137 VAL HA H 127 3.510 3.510 3.907 -0.397 18547 12755 1 13 . 1 1 137 137 VAL C C 127 179.100 179.100 177.888 1.212 18547 12756 1 13 . 1 1 137 137 VAL CA C 127 67.400 67.400 65.664 1.736 18547 12757 1 13 . 1 1 137 137 VAL CB C 127 32.500 32.500 31.579 0.921 18547 12758 1 13 . 1 1 137 137 VAL H H 127 7.680 7.680 7.292 0.388 18547 12759 1 13 . 1 1 138 138 GLY N N 128 106.300 106.300 107.443 -1.143 18547 12760 1 13 . 1 1 138 138 GLY C C 128 177.900 177.900 175.991 1.909 18547 12761 1 13 . 1 1 138 138 GLY CA C 128 47.300 47.300 47.179 0.121 18547 12762 1 13 . 1 1 138 138 GLY H H 128 8.210 8.210 8.049 0.161 18547 12763 1 13 . 1 1 139 139 TRP N N 129 122.500 122.500 121.167 1.333 18547 12764 1 13 . 1 1 139 139 TRP HA H 129 4.890 4.890 4.384 0.506 18547 12765 1 13 . 1 1 139 139 TRP C C 129 179.100 179.100 177.804 1.296 18547 12766 1 13 . 1 1 139 139 TRP CA C 129 59.800 59.800 59.127 0.673 18547 12767 1 13 . 1 1 139 139 TRP CB C 129 30.100 30.100 29.745 0.355 18547 12768 1 13 . 1 1 139 139 TRP H H 129 8.880 8.880 7.761 1.119 18547 12769 1 13 . 1 1 140 140 GLU N N 130 119.000 119.000 120.832 -1.832 18547 12770 1 13 . 1 1 140 140 GLU HA H 130 4.020 4.020 3.980 0.040 18547 12771 1 13 . 1 1 140 140 GLU C C 130 179.300 179.300 178.911 0.389 18547 12772 1 13 . 1 1 140 140 GLU CA C 130 62.900 62.900 59.502 3.398 18547 12773 1 13 . 1 1 140 140 GLU CB C 130 30.600 30.600 29.570 1.030 18547 12774 1 13 . 1 1 140 140 GLU H H 130 8.210 8.210 7.752 0.458 18547 12775 1 13 . 1 1 141 141 MET N N 131 117.100 117.100 117.692 -0.592 18547 12776 1 13 . 1 1 141 141 MET HA H 131 4.330 4.330 3.975 0.355 18547 12777 1 13 . 1 1 141 141 MET C C 131 178.500 178.500 178.336 0.164 18547 12778 1 13 . 1 1 141 141 MET CA C 131 57.700 57.700 58.691 -0.991 18547 12779 1 13 . 1 1 141 141 MET CB C 131 30.600 30.600 32.513 -1.913 18547 12780 1 13 . 1 1 141 141 MET H H 131 8.210 8.210 8.330 -0.120 18547 12781 1 13 . 1 1 142 142 ALA N N 132 121.400 121.400 124.484 -3.084 18547 12782 1 13 . 1 1 142 142 ALA HA H 132 4.720 4.720 4.789 -0.069 18547 12783 1 13 . 1 1 142 142 ALA C C 132 180.900 180.900 180.164 0.736 18547 12784 1 13 . 1 1 142 142 ALA CA C 132 55.700 55.700 55.321 0.379 18547 12785 1 13 . 1 1 142 142 ALA CB C 132 18.200 18.200 18.724 -0.524 18547 12786 1 13 . 1 1 142 142 ALA H H 132 7.910 7.910 7.784 0.126 18547 12787 1 13 . 1 1 143 143 LEU N N 133 117.200 117.200 116.863 0.337 18547 12788 1 13 . 1 1 143 143 LEU HA H 133 4.150 4.150 4.363 -0.213 18547 12789 1 13 . 1 1 143 143 LEU C C 133 180.300 180.300 179.406 0.894 18547 12790 1 13 . 1 1 143 143 LEU CA C 133 57.300 57.300 56.205 1.095 18547 12791 1 13 . 1 1 143 143 LEU CB C 133 40.600 40.600 40.441 0.159 18547 12792 1 13 . 1 1 143 143 LEU H H 133 9.190 9.190 8.354 0.836 18547 12793 1 13 . 1 1 144 144 ASP N N 134 122.600 122.600 121.905 0.695 18547 12794 1 13 . 1 1 144 144 ASP HA H 134 4.580 4.580 4.392 0.188 18547 12795 1 13 . 1 1 144 144 ASP C C 134 179.900 179.900 178.393 1.507 18547 12796 1 13 . 1 1 144 144 ASP CA C 134 57.800 57.800 57.686 0.114 18547 12797 1 13 . 1 1 144 144 ASP CB C 134 39.800 39.800 40.848 -1.048 18547 12798 1 13 . 1 1 144 144 ASP H H 134 7.930 7.930 8.121 -0.191 18547 12799 1 13 . 1 1 145 145 PHE N N 135 119.300 119.300 117.745 1.555 18547 12800 1 13 . 1 1 145 145 PHE HA H 135 4.580 4.580 4.531 0.049 18547 12801 1 13 . 1 1 145 145 PHE C C 135 178.000 178.000 177.766 0.234 18547 12802 1 13 . 1 1 145 145 PHE CA C 135 61.700 61.700 59.694 2.006 18547 12803 1 13 . 1 1 145 145 PHE CB C 135 39.400 39.400 39.049 0.351 18547 12804 1 13 . 1 1 145 145 PHE H H 135 7.690 7.690 8.322 -0.632 18547 12805 1 13 . 1 1 146 146 LEU N N 136 124.400 124.400 122.421 1.979 18547 12806 1 13 . 1 1 146 146 LEU HA H 136 3.200 3.200 4.204 -1.004 18547 12807 1 13 . 1 1 146 146 LEU C C 136 178.800 178.800 178.376 0.424 18547 12808 1 13 . 1 1 146 146 LEU CA C 136 58.400 58.400 56.769 1.631 18547 12809 1 13 . 1 1 146 146 LEU CB C 136 38.800 38.800 40.952 -2.152 18547 12810 1 13 . 1 1 146 146 LEU H H 136 7.930 7.930 8.398 -0.468 18547 12811 1 13 . 1 1 147 147 GLY N N 137 104.200 104.200 107.854 -3.654 18547 12812 1 13 . 1 1 147 147 GLY C C 137 176.100 176.100 176.318 -0.218 18547 12813 1 13 . 1 1 147 147 GLY CA C 137 47.900 47.900 47.607 0.293 18547 12814 1 13 . 1 1 147 147 GLY H H 137 8.340 8.340 8.220 0.120 18547 12815 1 13 . 1 1 148 148 MET N N 138 119.300 119.300 120.555 -1.255 18547 12816 1 13 . 1 1 148 148 MET HA H 138 4.090 4.090 4.376 -0.286 18547 12817 1 13 . 1 1 148 148 MET C C 138 177.700 177.700 178.088 -0.388 18547 12818 1 13 . 1 1 148 148 MET CA C 138 59.400 59.400 56.896 2.504 18547 12819 1 13 . 1 1 148 148 MET CB C 138 34.500 34.500 31.647 2.853 18547 12820 1 13 . 1 1 148 148 MET H H 138 7.550 7.550 7.878 -0.328 18547 12821 1 13 . 1 1 149 149 PHE N N 139 120.400 120.400 121.416 -1.016 18547 12822 1 13 . 1 1 149 149 PHE HA H 139 4.380 4.380 4.324 0.056 18547 12823 1 13 . 1 1 149 149 PHE C C 139 179.100 179.100 177.564 1.536 18547 12824 1 13 . 1 1 149 149 PHE CA C 139 60.800 60.800 61.432 -0.632 18547 12825 1 13 . 1 1 149 149 PHE CB C 139 39.200 39.200 39.323 -0.123 18547 12826 1 13 . 1 1 149 149 PHE H H 139 8.600 8.600 8.075 0.525 18547 12827 1 13 . 1 1 150 150 ILE N N 140 121.300 121.300 117.509 3.791 18547 12828 1 13 . 1 1 150 150 ILE HA H 140 3.420 3.420 3.498 -0.078 18547 12829 1 13 . 1 1 150 150 ILE C C 140 177.500 177.500 177.409 0.091 18547 12830 1 13 . 1 1 150 150 ILE CA C 140 63.100 63.100 63.532 -0.432 18547 12831 1 13 . 1 1 150 150 ILE CB C 140 37.100 37.100 37.781 -0.680 18547 12832 1 13 . 1 1 150 150 ILE H H 140 8.780 8.780 7.871 0.909 18547 12833 1 13 . 1 1 151 151 ARG N N 141 116.500 116.500 118.046 -1.546 18547 12834 1 13 . 1 1 151 151 ARG HA H 141 4.220 4.220 4.098 0.122 18547 12835 1 13 . 1 1 151 151 ARG C C 141 176.700 176.700 176.900 -0.200 18547 12836 1 13 . 1 1 151 151 ARG CA C 141 57.500 57.500 57.168 0.332 18547 12837 1 13 . 1 1 151 151 ARG CB C 141 31.500 31.500 30.790 0.710 18547 12838 1 13 . 1 1 151 151 ARG H H 141 7.730 7.730 8.015 -0.285 18547 12839 1 13 . 1 1 152 152 GLY N N 142 106.800 106.800 106.062 0.738 18547 12840 1 13 . 1 1 152 152 GLY C C 142 174.900 174.900 174.314 0.586 18547 12841 1 13 . 1 1 152 152 GLY CA C 142 45.700 45.700 45.075 0.625 18547 12842 1 13 . 1 1 152 152 GLY H H 142 7.570 7.570 7.668 -0.098 18547 12843 1 13 . 1 1 153 153 ASP N N 143 119.400 119.400 121.529 -2.129 18547 12844 1 13 . 1 1 153 153 ASP HA H 143 4.780 4.780 4.793 -0.013 18547 12845 1 13 . 1 1 153 153 ASP C C 143 175.400 175.400 176.498 -1.098 18547 12846 1 13 . 1 1 153 153 ASP CA C 143 54.200 54.200 54.780 -0.580 18547 12847 1 13 . 1 1 153 153 ASP CB C 143 42.100 42.100 41.662 0.438 18547 12848 1 13 . 1 1 153 153 ASP H H 143 8.290 8.290 7.974 0.316 18547 12849 1 13 . 1 1 154 154 LEU N N 144 121.300 121.300 121.187 0.113 18547 12850 1 13 . 1 1 154 154 LEU HA H 144 4.810 4.810 4.269 0.541 18547 12851 1 13 . 1 1 154 154 LEU CA C 144 52.800 52.800 54.678 -1.879 18547 12852 1 13 . 1 1 154 154 LEU CB C 144 42.500 42.500 40.828 1.672 18547 12853 1 13 . 1 1 154 154 LEU H H 144 8.010 8.010 7.970 0.040 18547 12854 1 13 . 1 1 155 155 PRO HA H 145 4.480 4.480 4.619 -0.139 18547 12855 1 13 . 1 1 155 155 PRO C C 145 177.600 177.600 177.286 0.314 18547 12856 1 13 . 1 1 155 155 PRO CA C 145 63.500 63.500 63.099 0.402 18547 12857 1 13 . 1 1 155 155 PRO CB C 145 32.200 32.200 32.191 0.009 18547 12858 1 13 . 1 1 156 156 GLY N N 146 108.900 108.900 108.163 0.737 18547 12859 1 13 . 1 1 156 156 GLY C C 146 174.300 174.300 173.672 0.628 18547 12860 1 13 . 1 1 156 156 GLY CA C 146 45.100 45.100 44.560 0.540 18547 12861 1 13 . 1 1 156 156 GLY H H 146 8.530 8.530 7.910 0.620 18547 12862 1 13 . 1 1 157 157 GLY N N 147 108.800 108.800 111.282 -2.482 18547 12863 1 13 . 1 1 157 157 GLY CA C 147 44.500 44.500 43.196 1.304 18547 12864 1 13 . 1 1 157 157 GLY H H 147 8.080 8.080 8.393 -0.313 18547 12865 1 13 . 1 1 158 158 PRO HA H 148 4.440 4.440 4.564 -0.124 18547 12866 1 13 . 1 1 158 158 PRO C C 148 176.800 176.800 176.751 0.049 18547 12867 1 13 . 1 1 158 158 PRO CA C 148 63.000 63.000 62.520 0.480 18547 12868 1 13 . 1 1 158 158 PRO CB C 148 32.100 32.100 32.216 -0.116 18547 12869 1 13 . 1 1 159 159 VAL N N 149 121.400 121.400 122.497 -1.097 18547 12870 1 13 . 1 1 159 159 VAL HA H 149 4.390 4.390 4.359 0.031 18547 12871 1 13 . 1 1 159 159 VAL CA C 149 59.800 59.800 60.889 -1.089 18547 12872 1 13 . 1 1 159 159 VAL CB C 149 32.600 32.600 32.014 0.586 18547 12873 1 13 . 1 1 159 159 VAL H H 149 8.220 8.220 8.359 -0.139 18547 12874 1 13 . 1 1 160 160 PRO HA H 150 4.380 4.380 4.422 -0.042 18547 12875 1 13 . 1 1 160 160 PRO C C 150 177.200 177.200 177.184 0.016 18547 12876 1 13 . 1 1 160 160 PRO CA C 150 63.300 63.300 64.588 -1.288 18547 12877 1 13 . 1 1 160 160 PRO CB C 150 32.100 32.100 32.270 -0.170 18547 12878 1 13 . 1 1 161 161 GLU N N 151 120.700 120.700 117.618 3.082 18547 12879 1 13 . 1 1 161 161 GLU HA H 151 4.170 4.170 4.393 -0.223 18547 12880 1 13 . 1 1 161 161 GLU CA C 151 57.400 57.400 56.462 0.938 18547 12881 1 13 . 1 1 161 161 GLU CB C 151 29.900 29.900 29.163 0.737 18547 12882 1 13 . 1 1 161 161 GLU H H 151 8.620 8.620 8.171 0.449 18547 12883 1 13 . 1 1 162 162 ASP N N 152 119.900 119.900 120.274 -0.374 18547 12884 1 13 . 1 1 162 162 ASP HA H 152 4.570 4.570 4.324 0.246 18547 12885 1 13 . 1 1 162 162 ASP C C 152 176.000 176.000 174.493 1.507 18547 12886 1 13 . 1 1 162 162 ASP CA C 152 54.200 54.200 54.536 -0.336 18547 12887 1 13 . 1 1 162 162 ASP CB C 152 41.000 41.000 40.248 0.752 18547 12888 1 13 . 1 1 162 162 ASP H H 152 8.250 8.250 8.444 -0.194 18547 12889 1 13 . 1 1 163 163 ALA N N 153 124.000 124.000 126.497 -2.497 18547 12890 1 13 . 1 1 163 163 ALA HA H 153 4.270 4.270 4.520 -0.250 18547 12891 1 13 . 1 1 163 163 ALA C C 153 177.400 177.400 176.245 1.155 18547 12892 1 13 . 1 1 163 163 ALA CA C 153 52.700 52.700 51.531 1.169 18547 12893 1 13 . 1 1 163 163 ALA CB C 153 19.200 19.200 20.735 -1.535 18547 12894 1 13 . 1 1 163 163 ALA H H 153 8.040 8.040 8.114 -0.074 18547 12895 1 13 . 1 1 164 164 ALA N N 154 122.600 122.600 126.324 -3.724 18547 12896 1 13 . 1 1 164 164 ALA HA H 154 4.260 4.260 4.436 -0.176 18547 12897 1 13 . 1 1 164 164 ALA C C 154 177.900 177.900 177.685 0.215 18547 12898 1 13 . 1 1 164 164 ALA CA C 154 52.600 52.600 51.595 1.005 18547 12899 1 13 . 1 1 164 164 ALA CB C 154 19.300 19.300 19.457 -0.157 18547 12900 1 13 . 1 1 164 164 ALA H H 154 8.190 8.190 8.190 0.000 18547 12901 1 13 . 1 1 165 165 GLU N N 155 119.400 119.400 123.478 -4.078 18547 12902 1 13 . 1 1 165 165 GLU HA H 155 4.220 4.220 4.386 -0.166 18547 12903 1 13 . 1 1 165 165 GLU C C 155 176.200 176.200 176.316 -0.116 18547 12904 1 13 . 1 1 165 165 GLU CA C 155 56.500 56.500 56.870 -0.370 18547 12905 1 13 . 1 1 165 165 GLU CB C 155 30.300 30.300 29.351 0.949 18547 12906 1 13 . 1 1 165 165 GLU H H 155 8.190 8.190 8.660 -0.470 18547 12907 1 13 . 1 1 166 166 GLU N N 156 121.000 121.000 126.398 -5.398 18547 12908 1 13 . 1 1 166 166 GLU HA H 156 4.240 4.240 4.267 -0.027 18547 12909 1 13 . 1 1 166 166 GLU C C 156 175.800 175.800 175.933 -0.133 18547 12910 1 13 . 1 1 166 166 GLU CA C 156 56.300 56.300 57.664 -1.364 18547 12911 1 13 . 1 1 166 166 GLU CB C 156 30.300 30.300 30.235 0.065 18547 12912 1 13 . 1 1 166 166 GLU H H 156 8.230 8.230 8.913 -0.683 18547 12913 1 13 . 1 1 167 167 PHE N N 157 121.400 121.400 118.094 3.306 18547 12914 1 13 . 1 1 167 167 PHE HA H 157 4.590 4.590 4.596 -0.006 18547 12915 1 13 . 1 1 167 167 PHE C C 157 175.100 175.100 174.591 0.509 18547 12916 1 13 . 1 1 167 167 PHE CA C 157 57.700 57.700 58.737 -1.037 18547 12917 1 13 . 1 1 167 167 PHE CB C 157 39.900 39.900 40.208 -0.308 18547 12918 1 13 . 1 1 167 167 PHE H H 157 8.240 8.240 8.279 -0.039 18547 12919 1 13 . 1 1 168 168 GLU N N 158 124.400 124.400 122.728 1.672 18547 12920 1 13 . 1 1 168 168 GLU HA H 158 4.600 4.600 4.624 -0.024 18547 12921 1 13 . 1 1 168 168 GLU CA C 158 53.700 53.700 53.576 0.124 18547 12922 1 13 . 1 1 168 168 GLU CB C 158 30.400 30.400 30.207 0.193 18547 12923 1 13 . 1 1 168 168 GLU H H 158 8.130 8.130 8.255 -0.125 18547 12924 1 13 . 1 1 169 169 PRO HA H 159 4.460 4.460 4.250 0.210 18547 12925 1 13 . 1 1 169 169 PRO C C 159 176.200 176.200 176.820 -0.620 18547 12926 1 13 . 1 1 169 169 PRO CA C 159 62.800 62.800 64.757 -1.957 18547 12927 1 13 . 1 1 169 169 PRO CB C 159 32.300 32.300 32.068 0.232 18547 12928 1 13 . 1 1 170 170 SER N N 160 118.600 118.600 111.511 7.089 18547 12929 1 13 . 1 1 170 170 SER HA H 160 4.780 4.780 4.974 -0.194 18547 12930 1 13 . 1 1 170 170 SER CA C 160 56.200 56.200 56.166 0.034 18547 12931 1 13 . 1 1 170 170 SER CB C 160 63.200 63.200 63.772 -0.572 18547 12932 1 13 . 1 1 170 170 SER H H 160 8.290 8.290 8.099 0.191 18547 12933 1 13 . 1 1 171 171 PRO HA H 161 4.350 4.350 4.250 0.100 18547 12934 1 13 . 1 1 171 171 PRO C C 161 179.400 179.400 178.240 1.160 18547 12935 1 13 . 1 1 171 171 PRO CA C 161 65.500 65.500 65.615 -0.115 18547 12936 1 13 . 1 1 171 171 PRO CB C 161 31.700 31.700 32.133 -0.433 18547 12937 1 13 . 1 1 172 172 GLU N N 162 118.300 118.300 115.911 2.389 18547 12938 1 13 . 1 1 172 172 GLU HA H 162 4.160 4.160 4.139 0.021 18547 12939 1 13 . 1 1 172 172 GLU C C 162 178.300 178.300 178.440 -0.140 18547 12940 1 13 . 1 1 172 172 GLU CA C 162 59.300 59.300 59.452 -0.152 18547 12941 1 13 . 1 1 172 172 GLU CB C 162 29.400 29.400 28.563 0.837 18547 12942 1 13 . 1 1 172 172 GLU H H 162 8.540 8.540 8.936 -0.396 18547 12943 1 13 . 1 1 173 173 MET N N 163 119.400 119.400 119.651 -0.251 18547 12944 1 13 . 1 1 173 173 MET HA H 163 4.260 4.260 4.334 -0.074 18547 12945 1 13 . 1 1 173 173 MET C C 163 179.200 179.200 178.034 1.166 18547 12946 1 13 . 1 1 173 173 MET CA C 163 58.200 58.200 57.450 0.750 18547 12947 1 13 . 1 1 173 173 MET CB C 163 32.500 32.500 32.210 0.290 18547 12948 1 13 . 1 1 173 173 MET H H 163 7.830 7.830 7.884 -0.054 18547 12949 1 13 . 1 1 174 174 MET N N 164 119.300 119.300 118.589 0.711 18547 12950 1 13 . 1 1 174 174 MET HA H 164 4.260 4.260 4.106 0.154 18547 12951 1 13 . 1 1 174 174 MET C C 164 178.600 178.600 178.720 -0.120 18547 12952 1 13 . 1 1 174 174 MET CA C 164 58.200 58.200 59.430 -1.230 18547 12953 1 13 . 1 1 174 174 MET CB C 164 31.900 31.900 32.309 -0.409 18547 12954 1 13 . 1 1 174 174 MET H H 164 8.320 8.320 8.211 0.109 18547 12955 1 13 . 1 1 175 175 ARG N N 165 121.200 121.200 120.363 0.837 18547 12956 1 13 . 1 1 175 175 ARG HA H 165 4.160 4.160 4.019 0.141 18547 12957 1 13 . 1 1 175 175 ARG C C 165 178.800 178.800 178.520 0.280 18547 12958 1 13 . 1 1 175 175 ARG CA C 165 59.400 59.400 59.848 -0.448 18547 12959 1 13 . 1 1 175 175 ARG CB C 165 29.900 29.900 30.356 -0.456 18547 12960 1 13 . 1 1 175 175 ARG H H 165 8.020 8.020 7.575 0.445 18547 12961 1 13 . 1 1 176 176 ILE N N 166 120.500 120.500 119.096 1.404 18547 12962 1 13 . 1 1 176 176 ILE HA H 166 3.920 3.920 3.667 0.253 18547 12963 1 13 . 1 1 176 176 ILE C C 166 178.500 178.500 178.049 0.451 18547 12964 1 13 . 1 1 176 176 ILE CA C 166 64.500 64.500 65.137 -0.637 18547 12965 1 13 . 1 1 176 176 ILE CB C 166 37.900 37.900 37.742 0.158 18547 12966 1 13 . 1 1 176 176 ILE H H 166 8.110 8.110 8.445 -0.335 18547 12967 1 13 . 1 1 177 177 SER N N 167 116.300 116.300 116.425 -0.125 18547 12968 1 13 . 1 1 177 177 SER HA H 167 4.240 4.240 4.189 0.051 18547 12969 1 13 . 1 1 177 177 SER C C 167 177.300 177.300 176.739 0.561 18547 12970 1 13 . 1 1 177 177 SER CA C 167 62.500 62.500 61.804 0.695 18547 12971 1 13 . 1 1 177 177 SER CB C 167 62.800 62.800 63.117 -0.317 18547 12972 1 13 . 1 1 177 177 SER H H 167 8.290 8.290 7.896 0.394 18547 12973 1 13 . 1 1 178 178 GLN N N 168 123.300 123.300 121.673 1.627 18547 12974 1 13 . 1 1 178 178 GLN HA H 168 4.110 4.110 4.037 0.073 18547 12975 1 13 . 1 1 178 178 GLN C C 168 178.600 178.600 178.262 0.338 18547 12976 1 13 . 1 1 178 178 GLN CA C 168 59.200 59.200 58.464 0.736 18547 12977 1 13 . 1 1 178 178 GLN CB C 168 28.000 28.000 28.182 -0.182 18547 12978 1 13 . 1 1 178 178 GLN H H 168 8.080 8.080 7.699 0.381 18547 12979 1 13 . 1 1 179 179 GLU N N 169 121.200 121.200 121.230 -0.030 18547 12980 1 13 . 1 1 179 179 GLU HA H 169 4.090 4.090 4.075 0.015 18547 12981 1 13 . 1 1 179 179 GLU C C 169 180.500 180.500 179.114 1.386 18547 12982 1 13 . 1 1 179 179 GLU CA C 169 59.500 59.500 59.381 0.119 18547 12983 1 13 . 1 1 179 179 GLU CB C 169 29.700 29.700 29.301 0.399 18547 12984 1 13 . 1 1 179 179 GLU H H 169 8.380 8.380 8.422 -0.042 18547 12985 1 13 . 1 1 180 180 ARG N N 170 120.800 120.800 117.240 3.560 18547 12986 1 13 . 1 1 180 180 ARG HA H 170 4.010 4.010 4.115 -0.105 18547 12987 1 13 . 1 1 180 180 ARG C C 170 178.100 178.100 178.810 -0.710 18547 12988 1 13 . 1 1 180 180 ARG CA C 170 59.900 59.900 59.292 0.608 18547 12989 1 13 . 1 1 180 180 ARG CB C 170 30.600 30.600 30.307 0.293 18547 12990 1 13 . 1 1 180 180 ARG H H 170 8.670 8.670 7.814 0.856 18547 12991 1 13 . 1 1 181 181 GLY N N 171 108.200 108.200 106.401 1.799 18547 12992 1 13 . 1 1 181 181 GLY C C 171 176.600 176.600 175.708 0.892 18547 12993 1 13 . 1 1 181 181 GLY CA C 171 47.800 47.800 46.434 1.366 18547 12994 1 13 . 1 1 181 181 GLY H H 171 8.550 8.550 7.620 0.930 18547 12995 1 13 . 1 1 182 182 GLU N N 172 121.900 121.900 121.347 0.553 18547 12996 1 13 . 1 1 182 182 GLU HA H 172 4.110 4.110 4.172 -0.062 18547 12997 1 13 . 1 1 182 182 GLU C C 172 179.300 179.300 178.432 0.868 18547 12998 1 13 . 1 1 182 182 GLU CA C 172 59.300 59.300 57.988 1.312 18547 12999 1 13 . 1 1 182 182 GLU CB C 172 29.300 29.300 29.299 0.001 18547 13000 1 13 . 1 1 182 182 GLU H H 172 8.190 8.190 8.648 -0.458 18547 13001 1 13 . 1 1 183 183 ALA N N 173 123.500 123.500 123.567 -0.067 18547 13002 1 13 . 1 1 183 183 ALA HA H 173 4.150 4.150 3.945 0.205 18547 13003 1 13 . 1 1 183 183 ALA C C 173 181.500 181.500 179.074 2.426 18547 13004 1 13 . 1 1 183 183 ALA CA C 173 55.000 55.000 55.017 -0.017 18547 13005 1 13 . 1 1 183 183 ALA CB C 173 17.100 17.100 18.170 -1.070 18547 13006 1 13 . 1 1 183 183 ALA H H 173 7.800 7.800 7.503 0.297 18547 13007 1 13 . 1 1 184 184 TRP N N 174 118.100 118.100 118.791 -0.691 18547 13008 1 13 . 1 1 184 184 TRP HA H 174 4.540 4.540 4.277 0.263 18547 13009 1 13 . 1 1 184 184 TRP C C 174 178.500 178.500 178.243 0.257 18547 13010 1 13 . 1 1 184 184 TRP CA C 174 60.600 60.600 59.920 0.680 18547 13011 1 13 . 1 1 184 184 TRP CB C 174 30.800 30.800 29.333 1.467 18547 13012 1 13 . 1 1 184 184 TRP H H 174 8.400 8.400 7.555 0.845 18547 13013 1 13 . 1 1 185 185 ALA N N 175 121.700 121.700 120.181 1.519 18547 13014 1 13 . 1 1 185 185 ALA HA H 175 3.920 3.920 3.810 0.110 18547 13015 1 13 . 1 1 185 185 ALA C C 175 179.600 179.600 178.636 0.964 18547 13016 1 13 . 1 1 185 185 ALA CA C 175 55.600 55.600 54.310 1.290 18547 13017 1 13 . 1 1 185 185 ALA CB C 175 17.900 17.900 17.827 0.073 18547 13018 1 13 . 1 1 185 185 ALA H H 175 8.800 8.800 8.193 0.607 18547 13019 1 13 . 1 1 186 186 ALA N N 176 119.000 119.000 121.395 -2.395 18547 13020 1 13 . 1 1 186 186 ALA HA H 176 4.190 4.190 4.011 0.179 18547 13021 1 13 . 1 1 186 186 ALA C C 176 180.300 180.300 179.276 1.024 18547 13022 1 13 . 1 1 186 186 ALA CA C 176 54.800 54.800 54.379 0.421 18547 13023 1 13 . 1 1 186 186 ALA CB C 176 17.900 17.900 18.486 -0.586 18547 13024 1 13 . 1 1 186 186 ALA H H 176 7.860 7.860 7.389 0.471 18547 13025 1 13 . 1 1 187 187 LEU N N 177 118.500 118.500 118.693 -0.193 18547 13026 1 13 . 1 1 187 187 LEU HA H 177 4.210 4.210 3.936 0.274 18547 13027 1 13 . 1 1 187 187 LEU C C 177 179.400 179.400 178.859 0.541 18547 13028 1 13 . 1 1 187 187 LEU CA C 177 57.600 57.600 57.993 -0.393 18547 13029 1 13 . 1 1 187 187 LEU CB C 177 42.700 42.700 42.043 0.657 18547 13030 1 13 . 1 1 187 187 LEU H H 177 7.460 7.460 7.700 -0.240 18547 13031 1 13 . 1 1 188 188 VAL N N 178 118.500 118.500 116.817 1.683 18547 13032 1 13 . 1 1 188 188 VAL HA H 178 3.660 3.660 3.824 -0.164 18547 13033 1 13 . 1 1 188 188 VAL C C 178 177.600 177.600 176.892 0.708 18547 13034 1 13 . 1 1 188 188 VAL CA C 178 66.000 66.000 63.775 2.225 18547 13035 1 13 . 1 1 188 188 VAL CB C 178 32.400 32.400 32.109 0.291 18547 13036 1 13 . 1 1 188 188 VAL H H 178 8.640 8.640 7.597 1.043 18547 13037 1 13 . 1 1 189 189 HIS N N 179 116.000 116.000 117.387 -1.387 18547 13038 1 13 . 1 1 189 189 HIS HA H 179 4.780 4.780 4.641 0.139 18547 13039 1 13 . 1 1 189 189 HIS C C 179 175.300 175.300 176.613 -1.313 18547 13040 1 13 . 1 1 189 189 HIS CA C 179 56.200 56.200 57.447 -1.247 18547 13041 1 13 . 1 1 189 189 HIS CB C 179 28.500 28.500 30.092 -1.592 18547 13042 1 13 . 1 1 189 189 HIS H H 179 8.150 8.150 7.638 0.512 18547 13043 1 13 . 1 1 190 190 SER N N 180 115.000 115.000 115.206 -0.206 18547 13044 1 13 . 1 1 190 190 SER HA H 180 4.480 4.480 4.436 0.044 18547 13045 1 13 . 1 1 190 190 SER C C 180 175.100 175.100 175.434 -0.334 18547 13046 1 13 . 1 1 190 190 SER CA C 180 59.500 59.500 59.532 -0.032 18547 13047 1 13 . 1 1 190 190 SER CB C 180 64.000 64.000 64.302 -0.302 18547 13048 1 13 . 1 1 190 190 SER H H 180 7.820 7.820 7.777 0.043 18547 13049 1 13 . 1 1 191 191 GLY N N 181 111.100 111.100 109.903 1.197 18547 13050 1 13 . 1 1 191 191 GLY C C 181 173.400 173.400 173.543 -0.143 18547 13051 1 13 . 1 1 191 191 GLY CA C 181 45.500 45.500 45.763 -0.263 18547 13052 1 13 . 1 1 191 191 GLY H H 181 8.330 8.330 8.046 0.284 18547 13053 1 14 . 1 1 12 12 ALA N N 2 125.600 125.600 129.663 -4.063 18547 13054 1 14 . 1 1 12 12 ALA HA H 2 4.300 4.300 4.648 -0.348 18547 13055 1 14 . 1 1 12 12 ALA C C 2 177.600 177.600 178.310 -0.710 18547 13056 1 14 . 1 1 12 12 ALA CA C 2 52.600 52.600 51.809 0.791 18547 13057 1 14 . 1 1 12 12 ALA CB C 2 19.200 19.200 18.443 0.757 18547 13058 1 14 . 1 1 12 12 ALA H H 2 8.380 8.380 8.688 -0.308 18547 13059 1 14 . 1 1 13 13 SER N N 3 115.000 115.000 118.815 -3.815 18547 13060 1 14 . 1 1 13 13 SER HA H 3 4.390 4.390 4.058 0.332 18547 13061 1 14 . 1 1 13 13 SER C C 3 175.100 175.100 175.359 -0.259 18547 13062 1 14 . 1 1 13 13 SER CA C 3 58.500 58.500 59.884 -1.384 18547 13063 1 14 . 1 1 13 13 SER CB C 3 63.800 63.800 62.243 1.557 18547 13064 1 14 . 1 1 13 13 SER H H 3 8.250 8.250 8.706 -0.456 18547 13065 1 14 . 1 1 14 14 GLY N N 4 110.700 110.700 111.181 -0.481 18547 13066 1 14 . 1 1 14 14 GLY C C 4 174.000 174.000 173.231 0.769 18547 13067 1 14 . 1 1 14 14 GLY CA C 4 45.400 45.400 45.264 0.136 18547 13068 1 14 . 1 1 14 14 GLY H H 4 8.390 8.390 8.382 0.008 18547 13069 1 14 . 1 1 15 15 GLN N N 5 120.100 120.100 117.826 2.274 18547 13070 1 14 . 1 1 15 15 GLN HA H 5 4.310 4.310 4.376 -0.066 18547 13071 1 14 . 1 1 15 15 GLN C C 5 175.500 175.500 174.468 1.032 18547 13072 1 14 . 1 1 15 15 GLN CA C 5 55.600 55.600 54.475 1.125 18547 13073 1 14 . 1 1 15 15 GLN CB C 5 29.700 29.700 29.792 -0.092 18547 13074 1 14 . 1 1 15 15 GLN H H 5 8.190 8.190 7.648 0.542 18547 13075 1 14 . 1 1 16 16 ALA N N 6 126.000 126.000 125.016 0.984 18547 13076 1 14 . 1 1 16 16 ALA HA H 6 4.360 4.360 4.491 -0.131 18547 13077 1 14 . 1 1 16 16 ALA C C 6 177.300 177.300 176.096 1.204 18547 13078 1 14 . 1 1 16 16 ALA CA C 6 52.300 52.300 51.649 0.651 18547 13079 1 14 . 1 1 16 16 ALA CB C 6 19.200 19.200 18.245 0.955 18547 13080 1 14 . 1 1 16 16 ALA H H 6 8.400 8.400 8.067 0.333 18547 13081 1 14 . 1 1 17 17 THR N N 7 119.200 119.200 121.233 -2.033 18547 13082 1 14 . 1 1 17 17 THR HA H 7 4.370 4.370 4.928 -0.558 18547 13083 1 14 . 1 1 17 17 THR C C 7 173.600 173.600 174.017 -0.417 18547 13084 1 14 . 1 1 17 17 THR CA C 7 63.200 63.200 61.772 1.428 18547 13085 1 14 . 1 1 17 17 THR CB C 7 70.600 70.600 69.285 1.315 18547 13086 1 14 . 1 1 17 17 THR H H 7 8.180 8.180 7.912 0.268 18547 13087 1 14 . 1 1 18 18 GLU N N 8 127.500 127.500 127.529 -0.029 18547 13088 1 14 . 1 1 18 18 GLU HA H 8 4.540 4.540 4.352 0.188 18547 13089 1 14 . 1 1 18 18 GLU C C 8 174.200 174.200 175.297 -1.097 18547 13090 1 14 . 1 1 18 18 GLU CA C 8 55.100 55.100 55.710 -0.610 18547 13091 1 14 . 1 1 18 18 GLU CB C 8 31.900 31.900 31.257 0.643 18547 13092 1 14 . 1 1 18 18 GLU H H 8 8.810 8.810 8.578 0.232 18547 13093 1 14 . 1 1 19 19 ARG N N 9 122.100 122.100 123.788 -1.688 18547 13094 1 14 . 1 1 19 19 ARG HA H 9 5.060 5.060 5.291 -0.231 18547 13095 1 14 . 1 1 19 19 ARG C C 9 175.000 175.000 175.476 -0.476 18547 13096 1 14 . 1 1 19 19 ARG CA C 9 54.800 54.800 55.297 -0.497 18547 13097 1 14 . 1 1 19 19 ARG CB C 9 31.600 31.600 32.466 -0.866 18547 13098 1 14 . 1 1 19 19 ARG H H 9 8.070 8.070 8.583 -0.513 18547 13099 1 14 . 1 1 20 20 ALA N N 10 126.300 126.300 126.667 -0.367 18547 13100 1 14 . 1 1 20 20 ALA HA H 10 4.640 4.640 4.748 -0.108 18547 13101 1 14 . 1 1 20 20 ALA C C 10 173.800 173.800 174.976 -1.176 18547 13102 1 14 . 1 1 20 20 ALA CA C 10 51.100 51.100 51.783 -0.683 18547 13103 1 14 . 1 1 20 20 ALA CB C 10 22.800 22.800 21.215 1.585 18547 13104 1 14 . 1 1 20 20 ALA H H 10 9.390 9.390 8.587 0.803 18547 13105 1 14 . 1 1 21 21 LEU N N 11 117.500 117.500 118.619 -1.119 18547 13106 1 14 . 1 1 21 21 LEU HA H 11 5.790 5.790 5.442 0.348 18547 13107 1 14 . 1 1 21 21 LEU C C 11 178.100 178.100 176.441 1.659 18547 13108 1 14 . 1 1 21 21 LEU CA C 11 53.100 53.100 53.712 -0.612 18547 13109 1 14 . 1 1 21 21 LEU CB C 11 45.400 45.400 46.815 -1.415 18547 13110 1 14 . 1 1 21 21 LEU H H 11 8.280 8.280 8.338 -0.058 18547 13111 1 14 . 1 1 22 22 GLY N N 12 113.400 113.400 108.107 5.293 18547 13112 1 14 . 1 1 22 22 GLY C C 12 174.800 174.800 172.436 2.364 18547 13113 1 14 . 1 1 22 22 GLY CA C 12 44.500 44.500 45.313 -0.813 18547 13114 1 14 . 1 1 22 22 GLY H H 12 8.830 8.830 8.829 0.001 18547 13115 1 14 . 1 1 23 23 ARG N N 13 119.600 119.600 118.904 0.696 18547 13116 1 14 . 1 1 23 23 ARG HA H 13 5.040 5.040 4.856 0.184 18547 13117 1 14 . 1 1 23 23 ARG C C 13 174.900 174.900 174.160 0.740 18547 13118 1 14 . 1 1 23 23 ARG CA C 13 55.800 55.800 55.200 0.600 18547 13119 1 14 . 1 1 23 23 ARG CB C 13 33.600 33.600 31.363 2.236 18547 13120 1 14 . 1 1 23 23 ARG H H 13 8.160 8.160 8.468 -0.308 18547 13121 1 14 . 1 1 24 24 ARG N N 14 121.900 121.900 125.360 -3.460 18547 13122 1 14 . 1 1 24 24 ARG HA H 14 4.530 4.530 4.650 -0.120 18547 13123 1 14 . 1 1 24 24 ARG C C 14 174.000 174.000 174.902 -0.902 18547 13124 1 14 . 1 1 24 24 ARG CA C 14 55.200 55.200 55.507 -0.306 18547 13125 1 14 . 1 1 24 24 ARG CB C 14 34.700 34.700 32.492 2.208 18547 13126 1 14 . 1 1 24 24 ARG H H 14 8.780 8.780 8.790 -0.010 18547 13127 1 14 . 1 1 25 25 THR N N 15 121.700 121.700 122.438 -0.738 18547 13128 1 14 . 1 1 25 25 THR HA H 15 4.420 4.420 4.353 0.067 18547 13129 1 14 . 1 1 25 25 THR C C 15 173.700 173.700 174.456 -0.756 18547 13130 1 14 . 1 1 25 25 THR CA C 15 63.600 63.600 63.471 0.129 18547 13131 1 14 . 1 1 25 25 THR CB C 15 68.600 68.600 68.949 -0.349 18547 13132 1 14 . 1 1 25 25 THR H H 15 8.800 8.800 8.416 0.384 18547 13133 1 14 . 1 1 26 26 ILE N N 16 124.200 124.200 123.407 0.793 18547 13134 1 14 . 1 1 26 26 ILE HA H 16 4.940 4.940 4.927 0.013 18547 13135 1 14 . 1 1 26 26 ILE CA C 16 59.300 59.300 56.833 2.467 18547 13136 1 14 . 1 1 26 26 ILE CB C 16 38.200 38.200 39.066 -0.866 18547 13137 1 14 . 1 1 26 26 ILE H H 16 8.420 8.420 8.187 0.233 18547 13138 1 14 . 1 1 27 27 PRO HA H 17 4.180 4.180 4.254 -0.074 18547 13139 1 14 . 1 1 27 27 PRO C C 17 178.100 178.100 177.074 1.026 18547 13140 1 14 . 1 1 27 27 PRO CA C 17 67.200 67.200 65.437 1.763 18547 13141 1 14 . 1 1 27 27 PRO CB C 17 30.700 30.700 31.213 -0.513 18547 13142 1 14 . 1 1 28 28 ALA N N 18 114.800 114.800 119.062 -4.262 18547 13143 1 14 . 1 1 28 28 ALA HA H 18 4.270 4.270 4.302 -0.032 18547 13144 1 14 . 1 1 28 28 ALA C C 18 177.000 177.000 177.479 -0.479 18547 13145 1 14 . 1 1 28 28 ALA CA C 18 53.100 53.100 52.636 0.464 18547 13146 1 14 . 1 1 28 28 ALA CB C 18 19.500 19.500 19.493 0.007 18547 13147 1 14 . 1 1 28 28 ALA H H 18 8.060 8.060 8.214 -0.154 18547 13148 1 14 . 1 1 29 29 GLY N N 19 107.100 107.100 105.981 1.119 18547 13149 1 14 . 1 1 29 29 GLY C C 19 171.900 171.900 171.898 0.002 18547 13150 1 14 . 1 1 29 29 GLY CA C 19 44.000 44.000 44.328 -0.328 18547 13151 1 14 . 1 1 29 29 GLY H H 19 8.140 8.140 7.557 0.583 18547 13152 1 14 . 1 1 30 30 GLU N N 20 120.000 120.000 118.344 1.656 18547 13153 1 14 . 1 1 30 30 GLU HA H 20 4.320 4.320 4.183 0.137 18547 13154 1 14 . 1 1 30 30 GLU C C 20 175.600 175.600 174.890 0.710 18547 13155 1 14 . 1 1 30 30 GLU CA C 20 57.300 57.300 56.599 0.701 18547 13156 1 14 . 1 1 30 30 GLU CB C 20 29.100 29.100 29.549 -0.449 18547 13157 1 14 . 1 1 30 30 GLU H H 20 8.380 8.380 8.530 -0.150 18547 13158 1 14 . 1 1 31 31 ALA N N 21 129.500 129.500 127.127 2.373 18547 13159 1 14 . 1 1 31 31 ALA HA H 21 4.610 4.610 4.586 0.024 18547 13160 1 14 . 1 1 31 31 ALA C C 21 177.200 177.200 176.026 1.174 18547 13161 1 14 . 1 1 31 31 ALA CA C 21 51.200 51.200 50.615 0.585 18547 13162 1 14 . 1 1 31 31 ALA CB C 21 22.500 22.500 21.800 0.700 18547 13163 1 14 . 1 1 31 31 ALA H H 21 8.660 8.660 8.151 0.509 18547 13164 1 14 . 1 1 32 32 ARG N N 22 120.400 120.400 121.683 -1.283 18547 13165 1 14 . 1 1 32 32 ARG HA H 22 4.950 4.950 4.722 0.228 18547 13166 1 14 . 1 1 32 32 ARG C C 22 173.400 173.400 175.141 -1.741 18547 13167 1 14 . 1 1 32 32 ARG CA C 22 55.500 55.500 54.736 0.764 18547 13168 1 14 . 1 1 32 32 ARG CB C 22 32.500 32.500 33.138 -0.638 18547 13169 1 14 . 1 1 32 32 ARG H H 22 8.090 8.090 8.211 -0.121 18547 13170 1 14 . 1 1 33 33 SER N N 23 113.800 113.800 117.335 -3.535 18547 13171 1 14 . 1 1 33 33 SER HA H 23 5.560 5.560 5.394 0.166 18547 13172 1 14 . 1 1 33 33 SER C C 23 174.500 174.500 174.184 0.316 18547 13173 1 14 . 1 1 33 33 SER CA C 23 55.600 55.600 56.185 -0.585 18547 13174 1 14 . 1 1 33 33 SER CB C 23 67.300 67.300 66.329 0.971 18547 13175 1 14 . 1 1 33 33 SER H H 23 8.080 8.080 8.139 -0.059 18547 13176 1 14 . 1 1 34 34 ILE N N 24 112.700 112.700 117.959 -5.259 18547 13177 1 14 . 1 1 34 34 ILE HA H 24 4.950 4.950 4.583 0.367 18547 13178 1 14 . 1 1 34 34 ILE C C 24 175.400 175.400 174.622 0.778 18547 13179 1 14 . 1 1 34 34 ILE CA C 24 58.300 58.300 60.356 -2.056 18547 13180 1 14 . 1 1 34 34 ILE CB C 24 39.900 39.900 38.803 1.097 18547 13181 1 14 . 1 1 34 34 ILE H H 24 7.980 7.980 8.312 -0.332 18547 13182 1 14 . 1 1 35 35 ILE N N 25 121.800 121.800 126.921 -5.121 18547 13183 1 14 . 1 1 35 35 ILE HA H 25 4.960 4.960 4.707 0.253 18547 13184 1 14 . 1 1 35 35 ILE C C 25 174.800 174.800 174.899 -0.099 18547 13185 1 14 . 1 1 35 35 ILE CA C 25 60.700 60.700 59.769 0.931 18547 13186 1 14 . 1 1 35 35 ILE CB C 25 41.300 41.300 39.889 1.411 18547 13187 1 14 . 1 1 35 35 ILE H H 25 8.960 8.960 8.203 0.757 18547 13188 1 14 . 1 1 36 36 ILE N N 26 127.900 127.900 128.816 -0.916 18547 13189 1 14 . 1 1 36 36 ILE HA H 26 4.770 4.770 4.861 -0.091 18547 13190 1 14 . 1 1 36 36 ILE C C 26 175.000 175.000 174.909 0.091 18547 13191 1 14 . 1 1 36 36 ILE CA C 26 59.900 59.900 60.082 -0.182 18547 13192 1 14 . 1 1 36 36 ILE CB C 26 42.100 42.100 38.985 3.115 18547 13193 1 14 . 1 1 36 36 ILE H H 26 9.210 9.210 8.721 0.489 18547 13194 1 14 . 1 1 37 37 ARG N N 27 124.100 124.100 127.715 -3.615 18547 13195 1 14 . 1 1 37 37 ARG HA H 27 5.850 5.850 5.530 0.320 18547 13196 1 14 . 1 1 37 37 ARG C C 27 176.200 176.200 174.855 1.345 18547 13197 1 14 . 1 1 37 37 ARG CA C 27 54.100 54.100 54.322 -0.222 18547 13198 1 14 . 1 1 37 37 ARG CB C 27 32.900 32.900 33.065 -0.165 18547 13199 1 14 . 1 1 37 37 ARG H H 27 8.670 8.670 8.608 0.062 18547 13200 1 14 . 1 1 38 38 GLN N N 28 122.900 122.900 122.064 0.836 18547 13201 1 14 . 1 1 38 38 GLN HA H 28 4.710 4.710 5.311 -0.601 18547 13202 1 14 . 1 1 38 38 GLN C C 28 173.200 173.200 174.285 -1.085 18547 13203 1 14 . 1 1 38 38 GLN CA C 28 54.400 54.400 54.531 -0.131 18547 13204 1 14 . 1 1 38 38 GLN CB C 28 35.200 35.200 33.601 1.599 18547 13205 1 14 . 1 1 38 38 GLN H H 28 9.310 9.310 8.602 0.708 18547 13206 1 14 . 1 1 39 39 ARG N N 29 121.400 121.400 125.835 -4.435 18547 13207 1 14 . 1 1 39 39 ARG HA H 29 5.260 5.260 4.561 0.699 18547 13208 1 14 . 1 1 39 39 ARG C C 29 175.400 175.400 175.390 0.010 18547 13209 1 14 . 1 1 39 39 ARG CA C 29 55.100 55.100 53.770 1.330 18547 13210 1 14 . 1 1 39 39 ARG CB C 29 32.500 32.500 29.229 3.271 18547 13211 1 14 . 1 1 39 39 ARG H H 29 8.510 8.510 8.233 0.277 18547 13212 1 14 . 1 1 40 40 TYR N N 30 120.000 120.000 124.377 -4.377 18547 13213 1 14 . 1 1 40 40 TYR HA H 30 4.600 4.600 4.431 0.169 18547 13214 1 14 . 1 1 40 40 TYR C C 30 175.600 175.600 175.561 0.039 18547 13215 1 14 . 1 1 40 40 TYR CA C 30 56.900 56.900 57.643 -0.743 18547 13216 1 14 . 1 1 40 40 TYR CB C 30 42.700 42.700 39.707 2.993 18547 13217 1 14 . 1 1 40 40 TYR H H 30 9.140 9.140 8.958 0.182 18547 13218 1 14 . 1 1 41 41 ASP N N 31 126.400 126.400 123.145 3.255 18547 13219 1 14 . 1 1 41 41 ASP HA H 31 4.880 4.880 4.477 0.403 18547 13220 1 14 . 1 1 41 41 ASP C C 31 174.500 174.500 174.790 -0.290 18547 13221 1 14 . 1 1 41 41 ASP CA C 31 53.200 53.200 53.511 -0.312 18547 13222 1 14 . 1 1 41 41 ASP CB C 31 39.200 39.200 39.124 0.076 18547 13223 1 14 . 1 1 41 41 ASP H H 31 9.140 9.140 8.829 0.311 18547 13224 1 14 . 1 1 42 42 ALA N N 32 123.100 123.100 122.592 0.508 18547 13225 1 14 . 1 1 42 42 ALA HA H 32 4.690 4.690 4.718 -0.028 18547 13226 1 14 . 1 1 42 42 ALA CA C 32 50.100 50.100 49.723 0.377 18547 13227 1 14 . 1 1 42 42 ALA CB C 32 20.200 20.200 20.590 -0.390 18547 13228 1 14 . 1 1 42 42 ALA H H 32 7.770 7.770 7.622 0.148 18547 13229 1 14 . 1 1 43 43 PRO HA H 33 4.650 4.650 4.454 0.196 18547 13230 1 14 . 1 1 43 43 PRO C C 33 178.100 178.100 177.483 0.617 18547 13231 1 14 . 1 1 43 43 PRO CA C 33 62.000 62.000 62.630 -0.630 18547 13232 1 14 . 1 1 43 43 PRO CB C 33 33.000 33.000 32.706 0.294 18547 13233 1 14 . 1 1 44 44 VAL N N 34 123.500 123.500 119.941 3.559 18547 13234 1 14 . 1 1 44 44 VAL HA H 34 3.960 3.960 3.692 0.268 18547 13235 1 14 . 1 1 44 44 VAL C C 34 177.500 177.500 178.041 -0.541 18547 13236 1 14 . 1 1 44 44 VAL CA C 34 66.000 66.000 66.298 -0.298 18547 13237 1 14 . 1 1 44 44 VAL CB C 34 32.000 32.000 31.708 0.292 18547 13238 1 14 . 1 1 44 44 VAL H H 34 8.570 8.570 8.663 -0.093 18547 13239 1 14 . 1 1 45 45 ASP N N 35 116.200 116.200 119.250 -3.050 18547 13240 1 14 . 1 1 45 45 ASP HA H 35 4.290 4.290 4.361 -0.071 18547 13241 1 14 . 1 1 45 45 ASP C C 35 178.800 178.800 178.285 0.515 18547 13242 1 14 . 1 1 45 45 ASP CA C 35 57.500 57.500 58.157 -0.657 18547 13243 1 14 . 1 1 45 45 ASP CB C 35 40.400 40.400 40.068 0.332 18547 13244 1 14 . 1 1 45 45 ASP H H 35 8.520 8.520 8.691 -0.171 18547 13245 1 14 . 1 1 46 46 GLU N N 36 120.100 120.100 120.580 -0.480 18547 13246 1 14 . 1 1 46 46 GLU HA H 36 4.260 4.260 4.099 0.161 18547 13247 1 14 . 1 1 46 46 GLU C C 36 179.000 179.000 178.703 0.297 18547 13248 1 14 . 1 1 46 46 GLU CA C 36 58.400 58.400 58.910 -0.510 18547 13249 1 14 . 1 1 46 46 GLU CB C 36 29.700 29.700 29.400 0.300 18547 13250 1 14 . 1 1 46 46 GLU H H 36 7.360 7.360 8.117 -0.757 18547 13251 1 14 . 1 1 47 47 VAL N N 37 121.800 121.800 119.660 2.140 18547 13252 1 14 . 1 1 47 47 VAL HA H 37 3.370 3.370 3.487 -0.117 18547 13253 1 14 . 1 1 47 47 VAL C C 37 177.100 177.100 177.714 -0.614 18547 13254 1 14 . 1 1 47 47 VAL CA C 37 66.900 66.900 66.256 0.644 18547 13255 1 14 . 1 1 47 47 VAL CB C 37 31.000 31.000 31.231 -0.231 18547 13256 1 14 . 1 1 47 47 VAL H H 37 7.680 7.680 7.617 0.063 18547 13257 1 14 . 1 1 48 48 TRP N N 38 119.800 119.800 121.455 -1.655 18547 13258 1 14 . 1 1 48 48 TRP HA H 38 3.990 3.990 4.170 -0.180 18547 13259 1 14 . 1 1 48 48 TRP C C 38 180.700 180.700 177.891 2.809 18547 13260 1 14 . 1 1 48 48 TRP CA C 38 60.900 60.900 60.450 0.450 18547 13261 1 14 . 1 1 48 48 TRP CB C 38 29.300 29.300 29.939 -0.640 18547 13262 1 14 . 1 1 48 48 TRP H H 38 9.160 9.160 7.881 1.279 18547 13263 1 14 . 1 1 49 49 SER N N 39 116.100 116.100 115.147 0.953 18547 13264 1 14 . 1 1 49 49 SER HA H 39 4.010 4.010 4.112 -0.102 18547 13265 1 14 . 1 1 49 49 SER C C 39 175.700 175.700 177.063 -1.363 18547 13266 1 14 . 1 1 49 49 SER CA C 39 62.700 62.700 61.441 1.259 18547 13267 1 14 . 1 1 49 49 SER CB C 39 62.700 62.700 62.639 0.061 18547 13268 1 14 . 1 1 49 49 SER H H 39 8.230 8.230 8.057 0.173 18547 13269 1 14 . 1 1 50 50 ALA N N 40 122.300 122.300 125.421 -3.121 18547 13270 1 14 . 1 1 50 50 ALA HA H 40 4.020 4.020 4.196 -0.176 18547 13271 1 14 . 1 1 50 50 ALA C C 40 176.700 176.700 180.034 -3.334 18547 13272 1 14 . 1 1 50 50 ALA CA C 40 55.200 55.200 55.287 -0.087 18547 13273 1 14 . 1 1 50 50 ALA CB C 40 18.800 18.800 18.439 0.361 18547 13274 1 14 . 1 1 50 50 ALA H H 40 7.770 7.770 8.220 -0.450 18547 13275 1 14 . 1 1 51 51 CYS N N 41 109.400 109.400 114.801 -5.401 18547 13276 1 14 . 1 1 51 51 CYS HA H 41 4.510 4.510 4.675 -0.165 18547 13277 1 14 . 1 1 51 51 CYS C C 41 172.200 172.200 176.199 -3.999 18547 13278 1 14 . 1 1 51 51 CYS CA C 41 61.100 61.100 61.357 -0.257 18547 13279 1 14 . 1 1 51 51 CYS CB C 41 29.800 29.800 27.312 2.488 18547 13280 1 14 . 1 1 51 51 CYS H H 41 7.080 7.080 7.973 -0.893 18547 13281 1 14 . 1 1 52 52 THR N N 42 100.100 100.100 111.463 -11.363 18547 13282 1 14 . 1 1 52 52 THR HA H 42 4.240 4.240 4.140 0.100 18547 13283 1 14 . 1 1 52 52 THR C C 42 173.500 173.500 174.649 -1.149 18547 13284 1 14 . 1 1 52 52 THR CA C 42 62.200 62.200 62.403 -0.203 18547 13285 1 14 . 1 1 52 52 THR CB C 42 71.800 71.800 69.480 2.320 18547 13286 1 14 . 1 1 52 52 THR H H 42 6.800 6.800 7.370 -0.570 18547 13287 1 14 . 1 1 53 53 ASP N N 43 123.000 123.000 124.294 -1.294 18547 13288 1 14 . 1 1 53 53 ASP HA H 43 5.080 5.080 4.903 0.177 18547 13289 1 14 . 1 1 53 53 ASP CA C 43 50.600 50.600 51.678 -1.078 18547 13290 1 14 . 1 1 53 53 ASP CB C 43 42.000 42.000 43.311 -1.311 18547 13291 1 14 . 1 1 53 53 ASP H H 43 8.040 8.040 7.991 0.049 18547 13292 1 14 . 1 1 54 54 PRO HA H 44 3.960 3.960 4.233 -0.273 18547 13293 1 14 . 1 1 54 54 PRO C C 44 176.300 176.300 178.420 -2.120 18547 13294 1 14 . 1 1 54 54 PRO CA C 44 65.900 65.900 65.039 0.861 18547 13295 1 14 . 1 1 54 54 PRO CB C 44 32.700 32.700 32.287 0.413 18547 13296 1 14 . 1 1 55 55 ASN N N 45 112.700 112.700 116.258 -3.558 18547 13297 1 14 . 1 1 55 55 ASN HA H 45 4.520 4.520 4.514 0.006 18547 13298 1 14 . 1 1 55 55 ASN C C 45 175.900 175.900 176.232 -0.332 18547 13299 1 14 . 1 1 55 55 ASN CA C 45 55.100 55.100 55.757 -0.657 18547 13300 1 14 . 1 1 55 55 ASN CB C 45 38.900 38.900 38.460 0.440 18547 13301 1 14 . 1 1 55 55 ASN H H 45 8.160 8.160 8.150 0.010 18547 13302 1 14 . 1 1 56 56 ARG N N 46 117.700 117.700 118.417 -0.717 18547 13303 1 14 . 1 1 56 56 ARG HA H 46 4.250 4.250 4.348 -0.098 18547 13304 1 14 . 1 1 56 56 ARG C C 46 177.100 177.100 177.690 -0.590 18547 13305 1 14 . 1 1 56 56 ARG CA C 46 58.400 58.400 58.176 0.224 18547 13306 1 14 . 1 1 56 56 ARG CB C 46 31.800 31.800 31.102 0.698 18547 13307 1 14 . 1 1 56 56 ARG H H 46 7.940 7.940 7.735 0.205 18547 13308 1 14 . 1 1 57 57 ILE N N 47 120.100 120.100 120.623 -0.523 18547 13309 1 14 . 1 1 57 57 ILE HA H 47 3.420 3.420 3.466 -0.046 18547 13310 1 14 . 1 1 57 57 ILE C C 47 177.400 177.400 176.513 0.887 18547 13311 1 14 . 1 1 57 57 ILE CA C 47 64.400 64.400 64.780 -0.380 18547 13312 1 14 . 1 1 57 57 ILE CB C 47 39.500 39.500 37.972 1.528 18547 13313 1 14 . 1 1 57 57 ILE H H 47 8.610 8.610 8.037 0.573 18547 13314 1 14 . 1 1 58 58 ASN N N 48 112.100 112.100 117.046 -4.946 18547 13315 1 14 . 1 1 58 58 ASN HA H 48 3.780 3.780 4.395 -0.615 18547 13316 1 14 . 1 1 58 58 ASN C C 48 175.300 175.300 176.408 -1.108 18547 13317 1 14 . 1 1 58 58 ASN CA C 48 54.400 54.400 55.182 -0.782 18547 13318 1 14 . 1 1 58 58 ASN CB C 48 38.200 38.200 38.042 0.158 18547 13319 1 14 . 1 1 58 58 ASN H H 48 7.440 7.440 7.945 -0.505 18547 13320 1 14 . 1 1 59 59 ARG N N 49 115.600 115.600 119.293 -3.693 18547 13321 1 14 . 1 1 59 59 ARG HA H 49 4.120 4.120 3.903 0.217 18547 13322 1 14 . 1 1 59 59 ARG C C 49 174.700 174.700 177.994 -3.294 18547 13323 1 14 . 1 1 59 59 ARG CA C 49 55.900 55.900 58.466 -2.566 18547 13324 1 14 . 1 1 59 59 ARG CB C 49 29.900 29.900 29.377 0.523 18547 13325 1 14 . 1 1 59 59 ARG H H 49 7.370 7.370 8.091 -0.721 18547 13326 1 14 . 1 1 60 60 TRP N N 50 112.500 112.500 117.573 -5.073 18547 13327 1 14 . 1 1 60 60 TRP HA H 50 4.860 4.860 4.710 0.150 18547 13328 1 14 . 1 1 60 60 TRP C C 50 173.400 173.400 177.087 -3.687 18547 13329 1 14 . 1 1 60 60 TRP CA C 50 55.800 55.800 57.703 -1.903 18547 13330 1 14 . 1 1 60 60 TRP CB C 50 31.500 31.500 29.537 1.963 18547 13331 1 14 . 1 1 60 60 TRP H H 50 6.860 6.860 7.430 -0.570 18547 13332 1 14 . 1 1 61 61 PHE N N 51 126.400 126.400 118.817 7.583 18547 13333 1 14 . 1 1 61 61 PHE HA H 51 4.690 4.690 4.767 -0.077 18547 13334 1 14 . 1 1 61 61 PHE C C 51 173.000 173.000 174.427 -1.427 18547 13335 1 14 . 1 1 61 61 PHE CA C 51 55.000 55.000 56.070 -1.070 18547 13336 1 14 . 1 1 61 61 PHE CB C 51 37.600 37.600 41.811 -4.211 18547 13337 1 14 . 1 1 61 61 PHE H H 51 7.830 7.830 7.169 0.661 18547 13338 1 14 . 1 1 62 62 ILE N N 52 126.800 126.800 121.246 5.554 18547 13339 1 14 . 1 1 62 62 ILE HA H 52 3.760 3.760 3.959 -0.199 18547 13340 1 14 . 1 1 62 62 ILE C C 52 172.600 172.600 175.154 -2.554 18547 13341 1 14 . 1 1 62 62 ILE CA C 52 59.900 59.900 60.750 -0.850 18547 13342 1 14 . 1 1 62 62 ILE CB C 52 41.600 41.600 38.076 3.524 18547 13343 1 14 . 1 1 62 62 ILE H H 52 6.010 6.010 7.254 -1.244 18547 13344 1 14 . 1 1 63 63 GLU N N 53 124.400 124.400 127.517 -3.117 18547 13345 1 14 . 1 1 63 63 GLU HA H 53 3.850 3.850 4.350 -0.500 18547 13346 1 14 . 1 1 63 63 GLU CA C 53 54.800 54.800 53.752 1.048 18547 13347 1 14 . 1 1 63 63 GLU CB C 53 31.700 31.700 29.014 2.686 18547 13348 1 14 . 1 1 63 63 GLU H H 53 8.280 8.280 8.415 -0.135 18547 13349 1 14 . 1 1 64 64 PRO HA H 54 4.920 4.920 4.437 0.483 18547 13350 1 14 . 1 1 64 64 PRO C C 54 175.500 175.500 176.133 -0.633 18547 13351 1 14 . 1 1 64 64 PRO CA C 54 62.000 62.000 62.735 -0.735 18547 13352 1 14 . 1 1 64 64 PRO CB C 54 31.800 31.800 32.299 -0.499 18547 13353 1 14 . 1 1 65 65 LYS N N 55 120.200 120.200 123.836 -3.636 18547 13354 1 14 . 1 1 65 65 LYS HA H 55 4.780 4.780 4.474 0.306 18547 13355 1 14 . 1 1 65 65 LYS C C 55 176.000 176.000 176.891 -0.891 18547 13356 1 14 . 1 1 65 65 LYS CA C 55 54.200 54.200 54.838 -0.638 18547 13357 1 14 . 1 1 65 65 LYS CB C 55 35.300 35.300 33.674 1.626 18547 13358 1 14 . 1 1 65 65 LYS H H 55 8.370 8.370 8.305 0.065 18547 13359 1 14 . 1 1 66 66 GLY N N 56 109.400 109.400 109.354 0.046 18547 13360 1 14 . 1 1 66 66 GLY C C 56 171.400 171.400 174.144 -2.744 18547 13361 1 14 . 1 1 66 66 GLY CA C 56 45.400 45.400 44.764 0.636 18547 13362 1 14 . 1 1 66 66 GLY H H 56 8.640 8.640 7.848 0.792 18547 13363 1 14 . 1 1 67 67 ASP N N 57 123.800 123.800 122.080 1.720 18547 13364 1 14 . 1 1 67 67 ASP HA H 57 4.900 4.900 4.531 0.369 18547 13365 1 14 . 1 1 67 67 ASP C C 57 175.600 175.600 177.435 -1.835 18547 13366 1 14 . 1 1 67 67 ASP CA C 57 52.400 52.400 55.154 -2.754 18547 13367 1 14 . 1 1 67 67 ASP CB C 57 40.700 40.700 41.274 -0.574 18547 13368 1 14 . 1 1 67 67 ASP H H 57 7.790 7.790 8.508 -0.718 18547 13369 1 14 . 1 1 68 68 LEU N N 58 122.800 122.800 114.711 8.089 18547 13370 1 14 . 1 1 68 68 LEU HA H 58 4.270 4.270 4.043 0.227 18547 13371 1 14 . 1 1 68 68 LEU C C 58 173.700 173.700 176.239 -2.539 18547 13372 1 14 . 1 1 68 68 LEU CA C 58 54.500 54.500 56.040 -1.540 18547 13373 1 14 . 1 1 68 68 LEU CB C 58 38.300 38.300 40.319 -2.019 18547 13374 1 14 . 1 1 68 68 LEU H H 58 8.330 8.330 7.629 0.701 18547 13375 1 14 . 1 1 69 69 ARG N N 59 121.800 121.800 117.770 4.030 18547 13376 1 14 . 1 1 69 69 ARG HA H 59 4.710 4.710 4.675 0.035 18547 13377 1 14 . 1 1 69 69 ARG CA C 59 54.100 54.100 53.003 1.097 18547 13378 1 14 . 1 1 69 69 ARG CB C 59 31.800 31.800 31.508 0.292 18547 13379 1 14 . 1 1 69 69 ARG H H 59 8.120 8.120 7.591 0.529 18547 13380 1 14 . 1 1 70 70 GLU N N 60 122.800 122.800 121.992 0.808 18547 13381 1 14 . 1 1 70 70 GLU HA H 60 3.870 3.870 3.993 -0.122 18547 13382 1 14 . 1 1 70 70 GLU C C 60 177.200 177.200 177.069 0.131 18547 13383 1 14 . 1 1 70 70 GLU CA C 60 60.000 60.000 58.009 1.991 18547 13384 1 14 . 1 1 70 70 GLU CB C 60 30.200 30.200 29.258 0.942 18547 13385 1 14 . 1 1 70 70 GLU H H 60 9.130 9.130 8.884 0.246 18547 13386 1 14 . 1 1 71 71 GLY N N 61 117.100 117.100 115.286 1.814 18547 13387 1 14 . 1 1 71 71 GLY C C 61 174.900 174.900 174.339 0.561 18547 13388 1 14 . 1 1 71 71 GLY CA C 61 45.600 45.600 44.656 0.944 18547 13389 1 14 . 1 1 71 71 GLY H H 61 8.710 8.710 8.412 0.298 18547 13390 1 14 . 1 1 72 72 GLY N N 62 110.300 110.300 109.948 0.352 18547 13391 1 14 . 1 1 72 72 GLY C C 62 174.200 174.200 172.231 1.969 18547 13392 1 14 . 1 1 72 72 GLY CA C 62 43.400 43.400 44.062 -0.662 18547 13393 1 14 . 1 1 72 72 GLY H H 62 8.760 8.760 7.934 0.826 18547 13394 1 14 . 1 1 73 73 ASN N N 63 117.800 117.800 115.426 2.374 18547 13395 1 14 . 1 1 73 73 ASN HA H 63 5.490 5.490 4.964 0.526 18547 13396 1 14 . 1 1 73 73 ASN C C 63 171.400 171.400 173.661 -2.261 18547 13397 1 14 . 1 1 73 73 ASN CA C 63 52.900 52.900 51.913 0.987 18547 13398 1 14 . 1 1 73 73 ASN CB C 63 41.500 41.500 41.530 -0.030 18547 13399 1 14 . 1 1 73 73 ASN H H 63 8.890 8.890 8.286 0.604 18547 13400 1 14 . 1 1 74 74 PHE N N 64 113.500 113.500 115.745 -2.245 18547 13401 1 14 . 1 1 74 74 PHE HA H 64 5.500 5.500 5.786 -0.286 18547 13402 1 14 . 1 1 74 74 PHE C C 64 173.200 173.200 173.749 -0.549 18547 13403 1 14 . 1 1 74 74 PHE CA C 64 55.900 55.900 54.715 1.185 18547 13404 1 14 . 1 1 74 74 PHE CB C 64 44.600 44.600 42.931 1.669 18547 13405 1 14 . 1 1 74 74 PHE H H 64 8.700 8.700 7.970 0.730 18547 13406 1 14 . 1 1 75 75 ALA N N 65 122.200 122.200 121.216 0.984 18547 13407 1 14 . 1 1 75 75 ALA HA H 65 4.350 4.350 4.331 0.019 18547 13408 1 14 . 1 1 75 75 ALA C C 65 176.000 176.000 176.539 -0.539 18547 13409 1 14 . 1 1 75 75 ALA CA C 65 52.500 52.500 51.773 0.727 18547 13410 1 14 . 1 1 75 75 ALA CB C 65 21.800 21.800 20.233 1.567 18547 13411 1 14 . 1 1 75 75 ALA H H 65 8.690 8.690 8.221 0.469 18547 13412 1 14 . 1 1 76 76 LEU N N 66 123.800 123.800 126.465 -2.665 18547 13413 1 14 . 1 1 76 76 LEU HA H 66 4.520 4.520 4.210 0.310 18547 13414 1 14 . 1 1 76 76 LEU C C 66 175.800 175.800 178.008 -2.208 18547 13415 1 14 . 1 1 76 76 LEU CA C 66 52.500 52.500 57.543 -5.043 18547 13416 1 14 . 1 1 76 76 LEU CB C 66 42.400 42.400 42.279 0.121 18547 13417 1 14 . 1 1 76 76 LEU H H 66 8.350 8.350 8.579 -0.229 18547 13418 1 14 . 1 1 77 77 GLN N N 67 127.400 127.400 115.431 11.969 18547 13419 1 14 . 1 1 77 77 GLN HA H 67 3.900 3.900 4.168 -0.268 18547 13420 1 14 . 1 1 77 77 GLN C C 67 176.600 176.600 175.323 1.277 18547 13421 1 14 . 1 1 77 77 GLN CA C 67 57.800 57.800 56.472 1.328 18547 13422 1 14 . 1 1 77 77 GLN CB C 67 28.000 28.000 28.222 -0.222 18547 13423 1 14 . 1 1 77 77 GLN H H 67 8.590 8.590 7.407 1.183 18547 13424 1 14 . 1 1 78 78 GLY N N 68 114.800 114.800 108.650 6.150 18547 13425 1 14 . 1 1 78 78 GLY C C 68 173.700 173.700 173.757 -0.057 18547 13426 1 14 . 1 1 78 78 GLY CA C 68 45.700 45.700 44.791 0.909 18547 13427 1 14 . 1 1 78 78 GLY H H 68 8.920 8.920 8.422 0.498 18547 13428 1 14 . 1 1 79 79 ASN N N 69 124.000 124.000 116.509 7.491 18547 13429 1 14 . 1 1 79 79 ASN HA H 69 4.600 4.600 4.722 -0.122 18547 13430 1 14 . 1 1 79 79 ASN C C 69 173.300 173.300 173.112 0.188 18547 13431 1 14 . 1 1 79 79 ASN CA C 69 52.900 52.900 53.682 -0.782 18547 13432 1 14 . 1 1 79 79 ASN CB C 69 41.600 41.600 38.939 2.661 18547 13433 1 14 . 1 1 79 79 ASN H H 69 8.360 8.360 7.886 0.474 18547 13434 1 14 . 1 1 80 80 ALA N N 70 127.200 127.200 120.112 7.088 18547 13435 1 14 . 1 1 80 80 ALA HA H 70 4.170 4.170 4.582 -0.412 18547 13436 1 14 . 1 1 80 80 ALA C C 70 174.500 174.500 174.940 -0.440 18547 13437 1 14 . 1 1 80 80 ALA CA C 70 52.500 52.500 50.734 1.766 18547 13438 1 14 . 1 1 80 80 ALA CB C 70 18.600 18.600 20.783 -2.183 18547 13439 1 14 . 1 1 80 80 ALA H H 70 8.930 8.930 7.697 1.233 18547 13440 1 14 . 1 1 81 81 SER N N 71 111.000 111.000 112.521 -1.521 18547 13441 1 14 . 1 1 81 81 SER HA H 71 4.170 4.170 4.202 -0.032 18547 13442 1 14 . 1 1 81 81 SER C C 71 170.900 170.900 172.917 -2.017 18547 13443 1 14 . 1 1 81 81 SER CA C 71 56.300 56.300 56.262 0.038 18547 13444 1 14 . 1 1 81 81 SER CB C 71 66.600 66.600 64.195 2.405 18547 13445 1 14 . 1 1 81 81 SER H H 71 7.980 7.980 7.905 0.075 18547 13446 1 14 . 1 1 82 82 GLY N N 72 102.700 102.700 107.734 -5.034 18547 13447 1 14 . 1 1 82 82 GLY C C 72 171.700 171.700 171.346 0.354 18547 13448 1 14 . 1 1 82 82 GLY CA C 72 46.200 46.200 44.944 1.256 18547 13449 1 14 . 1 1 82 82 GLY H H 72 6.940 6.940 7.367 -0.427 18547 13450 1 14 . 1 1 83 83 ASP N N 73 117.900 117.900 119.365 -1.465 18547 13451 1 14 . 1 1 83 83 ASP HA H 73 5.430 5.430 4.983 0.447 18547 13452 1 14 . 1 1 83 83 ASP C C 73 176.100 176.100 174.385 1.715 18547 13453 1 14 . 1 1 83 83 ASP CA C 73 52.700 52.700 53.153 -0.453 18547 13454 1 14 . 1 1 83 83 ASP CB C 73 43.600 43.600 44.423 -0.823 18547 13455 1 14 . 1 1 83 83 ASP H H 73 8.770 8.770 8.087 0.683 18547 13456 1 14 . 1 1 84 84 ILE N N 74 120.200 120.200 123.841 -3.641 18547 13457 1 14 . 1 1 84 84 ILE HA H 74 4.530 4.530 4.408 0.122 18547 13458 1 14 . 1 1 84 84 ILE C C 74 175.600 175.600 175.658 -0.058 18547 13459 1 14 . 1 1 84 84 ILE CA C 74 61.700 61.700 61.309 0.391 18547 13460 1 14 . 1 1 84 84 ILE CB C 74 36.700 36.700 37.586 -0.886 18547 13461 1 14 . 1 1 84 84 ILE H H 74 8.060 8.060 8.184 -0.124 18547 13462 1 14 . 1 1 85 85 LEU N N 75 130.400 130.400 128.229 2.171 18547 13463 1 14 . 1 1 85 85 LEU HA H 75 4.330 4.330 4.390 -0.060 18547 13464 1 14 . 1 1 85 85 LEU C C 75 178.100 178.100 177.465 0.635 18547 13465 1 14 . 1 1 85 85 LEU CA C 75 57.000 57.000 56.800 0.200 18547 13466 1 14 . 1 1 85 85 LEU CB C 75 42.000 42.000 42.917 -0.917 18547 13467 1 14 . 1 1 85 85 LEU H H 75 8.710 8.710 8.689 0.021 18547 13468 1 14 . 1 1 86 86 ARG N N 76 115.700 115.700 114.752 0.948 18547 13469 1 14 . 1 1 86 86 ARG HA H 76 4.840 4.840 4.923 -0.083 18547 13470 1 14 . 1 1 86 86 ARG C C 76 174.900 174.900 174.021 0.879 18547 13471 1 14 . 1 1 86 86 ARG CA C 76 54.700 54.700 55.051 -0.351 18547 13472 1 14 . 1 1 86 86 ARG CB C 76 33.900 33.900 35.082 -1.182 18547 13473 1 14 . 1 1 86 86 ARG H H 76 8.130 8.130 8.167 -0.037 18547 13474 1 14 . 1 1 87 87 CYS N N 77 127.100 127.100 118.495 8.605 18547 13475 1 14 . 1 1 87 87 CYS HA H 77 5.130 5.130 5.007 0.123 18547 13476 1 14 . 1 1 87 87 CYS C C 77 171.700 171.700 173.804 -2.104 18547 13477 1 14 . 1 1 87 87 CYS CA C 77 54.600 54.600 57.048 -2.448 18547 13478 1 14 . 1 1 87 87 CYS CB C 77 33.000 33.000 29.591 3.409 18547 13479 1 14 . 1 1 87 87 CYS H H 77 10.630 10.630 9.232 1.398 18547 13480 1 14 . 1 1 88 88 GLU N N 78 128.200 128.200 124.600 3.600 18547 13481 1 14 . 1 1 88 88 GLU HA H 78 4.950 4.950 4.799 0.151 18547 13482 1 14 . 1 1 88 88 GLU CA C 78 52.100 52.100 52.852 -0.753 18547 13483 1 14 . 1 1 88 88 GLU CB C 78 30.500 30.500 30.179 0.321 18547 13484 1 14 . 1 1 88 88 GLU H H 78 9.460 9.460 9.105 0.355 18547 13485 1 14 . 1 1 89 89 PRO HA H 79 2.780 2.780 3.462 -0.682 18547 13486 1 14 . 1 1 89 89 PRO CA C 79 60.500 60.500 61.098 -0.598 18547 13487 1 14 . 1 1 89 89 PRO CB C 79 31.600 31.600 31.371 0.229 18547 13488 1 14 . 1 1 90 90 PRO HA H 80 2.250 2.250 2.932 -0.682 18547 13489 1 14 . 1 1 90 90 PRO C C 80 171.400 171.400 176.254 -4.854 18547 13490 1 14 . 1 1 90 90 PRO CA C 80 63.700 63.700 61.438 2.262 18547 13491 1 14 . 1 1 90 90 PRO CB C 80 30.500 30.500 32.093 -1.593 18547 13492 1 14 . 1 1 91 91 ARG N N 81 113.700 113.700 119.603 -5.903 18547 13493 1 14 . 1 1 91 91 ARG HA H 81 4.700 4.700 4.091 0.609 18547 13494 1 14 . 1 1 91 91 ARG C C 81 176.500 176.500 175.659 0.841 18547 13495 1 14 . 1 1 91 91 ARG CA C 81 57.400 57.400 57.612 -0.212 18547 13496 1 14 . 1 1 91 91 ARG CB C 81 34.200 34.200 31.334 2.866 18547 13497 1 14 . 1 1 91 91 ARG H H 81 7.640 7.640 7.678 -0.038 18547 13498 1 14 . 1 1 92 92 ARG N N 82 121.000 121.000 113.381 7.619 18547 13499 1 14 . 1 1 92 92 ARG HA H 82 5.700 5.700 5.432 0.268 18547 13500 1 14 . 1 1 92 92 ARG C C 82 172.700 172.700 174.126 -1.426 18547 13501 1 14 . 1 1 92 92 ARG CA C 82 55.900 55.900 54.520 1.380 18547 13502 1 14 . 1 1 92 92 ARG CB C 82 34.100 34.100 34.208 -0.108 18547 13503 1 14 . 1 1 92 92 ARG H H 82 7.710 7.710 8.046 -0.336 18547 13504 1 14 . 1 1 93 93 LEU N N 83 130.800 130.800 122.576 8.224 18547 13505 1 14 . 1 1 93 93 LEU HA H 83 5.250 5.250 4.897 0.353 18547 13506 1 14 . 1 1 93 93 LEU C C 83 174.000 174.000 174.352 -0.352 18547 13507 1 14 . 1 1 93 93 LEU CA C 83 53.700 53.700 54.786 -1.086 18547 13508 1 14 . 1 1 93 93 LEU CB C 83 47.100 47.100 45.921 1.179 18547 13509 1 14 . 1 1 93 93 LEU H H 83 9.080 9.080 9.030 0.050 18547 13510 1 14 . 1 1 94 94 THR N N 84 124.200 124.200 124.209 -0.009 18547 13511 1 14 . 1 1 94 94 THR HA H 84 5.340 5.340 5.151 0.189 18547 13512 1 14 . 1 1 94 94 THR C C 84 174.100 174.100 173.847 0.253 18547 13513 1 14 . 1 1 94 94 THR CA C 84 62.700 62.700 61.949 0.751 18547 13514 1 14 . 1 1 94 94 THR CB C 84 69.600 69.600 69.049 0.551 18547 13515 1 14 . 1 1 94 94 THR H H 84 9.310 9.310 8.261 1.049 18547 13516 1 14 . 1 1 95 95 ILE N N 85 121.600 121.600 122.929 -1.329 18547 13517 1 14 . 1 1 95 95 ILE HA H 85 5.630 5.630 4.818 0.812 18547 13518 1 14 . 1 1 95 95 ILE C C 85 175.000 175.000 174.325 0.675 18547 13519 1 14 . 1 1 95 95 ILE CA C 85 59.300 59.300 58.726 0.574 18547 13520 1 14 . 1 1 95 95 ILE CB C 85 40.900 40.900 41.698 -0.798 18547 13521 1 14 . 1 1 95 95 ILE H H 85 9.700 9.700 8.947 0.753 18547 13522 1 14 . 1 1 96 96 SER N N 86 117.900 117.900 116.939 0.961 18547 13523 1 14 . 1 1 96 96 SER HA H 86 5.270 5.270 4.901 0.369 18547 13524 1 14 . 1 1 96 96 SER C C 86 172.200 172.200 174.493 -2.293 18547 13525 1 14 . 1 1 96 96 SER CA C 86 57.600 57.600 58.109 -0.509 18547 13526 1 14 . 1 1 96 96 SER CB C 86 65.700 65.700 64.949 0.751 18547 13527 1 14 . 1 1 96 96 SER H H 86 9.290 9.290 8.474 0.816 18547 13528 1 14 . 1 1 97 97 TRP N N 87 120.000 120.000 120.930 -0.930 18547 13529 1 14 . 1 1 97 97 TRP HA H 87 5.130 5.130 5.076 0.054 18547 13530 1 14 . 1 1 97 97 TRP C C 87 175.500 175.500 173.504 1.996 18547 13531 1 14 . 1 1 97 97 TRP CA C 87 57.900 57.900 57.665 0.235 18547 13532 1 14 . 1 1 97 97 TRP CB C 87 31.500 31.500 31.681 -0.181 18547 13533 1 14 . 1 1 97 97 TRP H H 87 7.790 7.790 8.658 -0.868 18547 13534 1 14 . 1 1 98 98 VAL N N 88 132.200 132.200 129.434 2.766 18547 13535 1 14 . 1 1 98 98 VAL HA H 88 4.460 4.460 4.190 0.270 18547 13536 1 14 . 1 1 98 98 VAL C C 88 175.100 175.100 174.359 0.741 18547 13537 1 14 . 1 1 98 98 VAL CA C 88 62.000 62.000 62.042 -0.042 18547 13538 1 14 . 1 1 98 98 VAL CB C 88 32.500 32.500 30.936 1.565 18547 13539 1 14 . 1 1 98 98 VAL H H 88 9.620 9.620 7.951 1.669 18547 13540 1 14 . 1 1 99 99 TYR N N 89 130.300 130.300 129.595 0.705 18547 13541 1 14 . 1 1 99 99 TYR HA H 89 4.440 4.440 4.745 -0.305 18547 13542 1 14 . 1 1 99 99 TYR C C 89 173.900 173.900 175.289 -1.389 18547 13543 1 14 . 1 1 99 99 TYR CA C 89 56.800 56.800 55.236 1.564 18547 13544 1 14 . 1 1 99 99 TYR CB C 89 42.100 42.100 41.603 0.497 18547 13545 1 14 . 1 1 99 99 TYR H H 89 9.670 9.670 8.168 1.502 18547 13546 1 14 . 1 1 100 100 GLU N N 90 127.100 127.100 127.223 -0.123 18547 13547 1 14 . 1 1 100 100 GLU HA H 90 3.940 3.940 4.253 -0.313 18547 13548 1 14 . 1 1 100 100 GLU C C 90 176.700 176.700 177.376 -0.676 18547 13549 1 14 . 1 1 100 100 GLU CA C 90 58.300 58.300 57.649 0.651 18547 13550 1 14 . 1 1 100 100 GLU CB C 90 29.200 29.200 29.446 -0.246 18547 13551 1 14 . 1 1 100 100 GLU H H 90 8.080 8.080 9.439 -1.359 18547 13552 1 14 . 1 1 101 101 GLY N N 91 113.100 113.100 111.938 1.162 18547 13553 1 14 . 1 1 101 101 GLY C C 91 173.900 173.900 174.244 -0.344 18547 13554 1 14 . 1 1 101 101 GLY CA C 91 45.200 45.200 45.667 -0.467 18547 13555 1 14 . 1 1 101 101 GLY H H 91 8.850 8.850 8.735 0.115 18547 13556 1 14 . 1 1 102 102 LYS N N 92 120.100 120.100 120.491 -0.391 18547 13557 1 14 . 1 1 102 102 LYS HA H 92 4.990 4.990 4.939 0.051 18547 13558 1 14 . 1 1 102 102 LYS CA C 92 52.500 52.500 53.077 -0.577 18547 13559 1 14 . 1 1 102 102 LYS CB C 92 33.200 33.200 33.955 -0.755 18547 13560 1 14 . 1 1 102 102 LYS H H 92 8.270 8.270 7.825 0.445 18547 13561 1 14 . 1 1 103 103 PRO HA H 93 4.620 4.620 4.524 0.096 18547 13562 1 14 . 1 1 103 103 PRO C C 93 176.700 176.700 176.177 0.523 18547 13563 1 14 . 1 1 103 103 PRO CA C 93 62.400 62.400 62.308 0.092 18547 13564 1 14 . 1 1 103 103 PRO CB C 93 31.400 31.400 32.445 -1.045 18547 13565 1 14 . 1 1 104 104 ASP N N 94 124.500 124.500 119.836 4.664 18547 13566 1 14 . 1 1 104 104 ASP HA H 94 4.860 4.860 4.897 -0.037 18547 13567 1 14 . 1 1 104 104 ASP C C 94 177.100 177.100 176.749 0.351 18547 13568 1 14 . 1 1 104 104 ASP CA C 94 55.900 55.900 53.985 1.915 18547 13569 1 14 . 1 1 104 104 ASP CB C 94 40.500 40.500 40.830 -0.330 18547 13570 1 14 . 1 1 104 104 ASP H H 94 8.850 8.850 8.476 0.374 18547 13571 1 14 . 1 1 105 105 SER N N 95 118.600 118.600 120.839 -2.239 18547 13572 1 14 . 1 1 105 105 SER HA H 95 5.280 5.280 4.639 0.641 18547 13573 1 14 . 1 1 105 105 SER C C 95 173.700 173.700 173.113 0.587 18547 13574 1 14 . 1 1 105 105 SER CA C 95 57.900 57.900 57.681 0.219 18547 13575 1 14 . 1 1 105 105 SER CB C 95 65.600 65.600 65.558 0.042 18547 13576 1 14 . 1 1 105 105 SER H H 95 9.260 9.260 8.467 0.793 18547 13577 1 14 . 1 1 106 106 GLU N N 96 124.100 124.100 120.962 3.138 18547 13578 1 14 . 1 1 106 106 GLU HA H 96 5.180 5.180 4.950 0.230 18547 13579 1 14 . 1 1 106 106 GLU C C 96 172.400 172.400 175.354 -2.954 18547 13580 1 14 . 1 1 106 106 GLU CA C 96 57.200 57.200 55.119 2.081 18547 13581 1 14 . 1 1 106 106 GLU CB C 96 36.100 36.100 32.545 3.555 18547 13582 1 14 . 1 1 106 106 GLU H H 96 8.620 8.620 8.336 0.284 18547 13583 1 14 . 1 1 107 107 VAL N N 97 128.100 128.100 126.852 1.248 18547 13584 1 14 . 1 1 107 107 VAL HA H 97 4.770 4.770 4.635 0.135 18547 13585 1 14 . 1 1 107 107 VAL C C 97 173.100 173.100 174.318 -1.218 18547 13586 1 14 . 1 1 107 107 VAL CA C 97 60.100 60.100 61.112 -1.012 18547 13587 1 14 . 1 1 107 107 VAL CB C 97 34.200 34.200 33.626 0.574 18547 13588 1 14 . 1 1 107 107 VAL H H 97 9.180 9.180 8.790 0.390 18547 13589 1 14 . 1 1 108 108 GLU N N 98 126.200 126.200 126.112 0.088 18547 13590 1 14 . 1 1 108 108 GLU HA H 98 5.580 5.580 5.060 0.520 18547 13591 1 14 . 1 1 108 108 GLU C C 98 172.100 172.100 174.160 -2.060 18547 13592 1 14 . 1 1 108 108 GLU CA C 98 54.200 54.200 54.685 -0.485 18547 13593 1 14 . 1 1 108 108 GLU CB C 98 35.200 35.200 33.396 1.804 18547 13594 1 14 . 1 1 108 108 GLU H H 98 9.300 9.300 8.719 0.581 18547 13595 1 14 . 1 1 109 109 LEU N N 99 128.600 128.600 128.159 0.441 18547 13596 1 14 . 1 1 109 109 LEU HA H 99 5.080 5.080 4.799 0.281 18547 13597 1 14 . 1 1 109 109 LEU C C 99 175.100 175.100 174.549 0.551 18547 13598 1 14 . 1 1 109 109 LEU CA C 99 52.700 52.700 53.663 -0.963 18547 13599 1 14 . 1 1 109 109 LEU CB C 99 46.400 46.400 44.360 2.040 18547 13600 1 14 . 1 1 109 109 LEU H H 99 9.330 9.330 8.600 0.730 18547 13601 1 14 . 1 1 110 110 ARG N N 100 124.700 124.700 127.905 -3.205 18547 13602 1 14 . 1 1 110 110 ARG HA H 100 5.390 5.390 4.884 0.506 18547 13603 1 14 . 1 1 110 110 ARG C C 100 175.400 175.400 174.685 0.715 18547 13604 1 14 . 1 1 110 110 ARG CA C 100 54.600 54.600 54.653 -0.053 18547 13605 1 14 . 1 1 110 110 ARG CB C 100 34.100 34.100 32.620 1.480 18547 13606 1 14 . 1 1 110 110 ARG H H 100 9.430 9.430 8.662 0.768 18547 13607 1 14 . 1 1 111 111 LEU N N 101 122.900 122.900 129.354 -6.454 18547 13608 1 14 . 1 1 111 111 LEU HA H 101 5.620 5.620 5.552 0.068 18547 13609 1 14 . 1 1 111 111 LEU C C 101 177.100 177.100 176.192 0.908 18547 13610 1 14 . 1 1 111 111 LEU CA C 101 53.000 53.000 54.336 -1.336 18547 13611 1 14 . 1 1 111 111 LEU CB C 101 44.900 44.900 43.132 1.768 18547 13612 1 14 . 1 1 111 111 LEU H H 101 9.120 9.120 8.779 0.341 18547 13613 1 14 . 1 1 112 112 SER N N 102 113.800 113.800 118.929 -5.129 18547 13614 1 14 . 1 1 112 112 SER HA H 102 4.690 4.690 4.716 -0.026 18547 13615 1 14 . 1 1 112 112 SER C C 102 172.700 172.700 172.628 0.072 18547 13616 1 14 . 1 1 112 112 SER CA C 102 57.000 57.000 57.338 -0.338 18547 13617 1 14 . 1 1 112 112 SER CB C 102 65.700 65.700 65.985 -0.285 18547 13618 1 14 . 1 1 112 112 SER H H 102 8.770 8.770 8.643 0.127 18547 13619 1 14 . 1 1 113 113 GLU N N 103 123.400 123.400 121.457 1.943 18547 13620 1 14 . 1 1 113 113 GLU HA H 103 4.440 4.440 4.554 -0.114 18547 13621 1 14 . 1 1 113 113 GLU C C 103 176.600 176.600 175.621 0.979 18547 13622 1 14 . 1 1 113 113 GLU CA C 103 57.500 57.500 55.371 2.129 18547 13623 1 14 . 1 1 113 113 GLU CB C 103 30.200 30.200 31.111 -0.911 18547 13624 1 14 . 1 1 113 113 GLU H H 103 9.200 9.200 8.518 0.682 18547 13625 1 14 . 1 1 114 114 GLU N N 104 126.500 126.500 126.905 -0.405 18547 13626 1 14 . 1 1 114 114 GLU HA H 104 4.450 4.450 4.650 -0.200 18547 13627 1 14 . 1 1 114 114 GLU C C 104 175.600 175.600 176.527 -0.927 18547 13628 1 14 . 1 1 114 114 GLU CA C 104 55.700 55.700 55.839 -0.139 18547 13629 1 14 . 1 1 114 114 GLU CB C 104 31.300 31.300 31.892 -0.593 18547 13630 1 14 . 1 1 114 114 GLU H H 104 8.110 8.110 8.356 -0.246 18547 13631 1 14 . 1 1 115 115 GLY N N 105 118.000 118.000 116.298 1.702 18547 13632 1 14 . 1 1 115 115 GLY C C 105 174.700 174.700 174.600 0.100 18547 13633 1 14 . 1 1 115 115 GLY CA C 105 47.100 47.100 47.295 -0.195 18547 13634 1 14 . 1 1 115 115 GLY H H 105 9.030 9.030 8.847 0.183 18547 13635 1 14 . 1 1 116 116 ASP N N 106 126.200 126.200 124.865 1.335 18547 13636 1 14 . 1 1 116 116 ASP HA H 106 4.750 4.750 4.757 -0.007 18547 13637 1 14 . 1 1 116 116 ASP C C 106 175.600 175.600 176.354 -0.754 18547 13638 1 14 . 1 1 116 116 ASP CA C 106 54.300 54.300 53.509 0.791 18547 13639 1 14 . 1 1 116 116 ASP CB C 106 40.800 40.800 41.681 -0.881 18547 13640 1 14 . 1 1 116 116 ASP H H 106 8.800 8.800 8.494 0.306 18547 13641 1 14 . 1 1 117 117 GLY N N 107 109.500 109.500 107.320 2.180 18547 13642 1 14 . 1 1 117 117 GLY C C 107 174.400 174.400 172.896 1.504 18547 13643 1 14 . 1 1 117 117 GLY CA C 107 44.800 44.800 44.551 0.249 18547 13644 1 14 . 1 1 117 117 GLY H H 107 8.040 8.040 7.892 0.148 18547 13645 1 14 . 1 1 118 118 THR N N 108 120.400 120.400 115.139 5.261 18547 13646 1 14 . 1 1 118 118 THR HA H 108 4.970 4.970 5.079 -0.109 18547 13647 1 14 . 1 1 118 118 THR C C 108 173.000 173.000 173.019 -0.019 18547 13648 1 14 . 1 1 118 118 THR CA C 108 63.500 63.500 62.254 1.246 18547 13649 1 14 . 1 1 118 118 THR CB C 108 73.000 73.000 72.221 0.779 18547 13650 1 14 . 1 1 118 118 THR H H 108 9.010 9.010 8.584 0.426 18547 13651 1 14 . 1 1 119 119 LEU N N 109 129.000 129.000 129.282 -0.282 18547 13652 1 14 . 1 1 119 119 LEU HA H 109 4.790 4.790 5.105 -0.315 18547 13653 1 14 . 1 1 119 119 LEU C C 109 173.500 173.500 174.716 -1.216 18547 13654 1 14 . 1 1 119 119 LEU CA C 109 54.300 54.300 53.901 0.399 18547 13655 1 14 . 1 1 119 119 LEU CB C 109 42.900 42.900 43.884 -0.984 18547 13656 1 14 . 1 1 119 119 LEU H H 109 9.410 9.410 8.396 1.014 18547 13657 1 14 . 1 1 120 120 LEU N N 110 132.200 132.200 129.677 2.523 18547 13658 1 14 . 1 1 120 120 LEU HA H 110 4.820 4.820 4.870 -0.050 18547 13659 1 14 . 1 1 120 120 LEU C C 110 174.100 174.100 174.814 -0.714 18547 13660 1 14 . 1 1 120 120 LEU CA C 110 54.900 54.900 53.754 1.146 18547 13661 1 14 . 1 1 120 120 LEU CB C 110 45.300 45.300 43.565 1.735 18547 13662 1 14 . 1 1 120 120 LEU H H 110 9.430 9.430 8.970 0.460 18547 13663 1 14 . 1 1 121 121 GLU N N 111 125.800 125.800 127.097 -1.297 18547 13664 1 14 . 1 1 121 121 GLU HA H 111 5.530 5.530 4.679 0.851 18547 13665 1 14 . 1 1 121 121 GLU C C 111 173.500 173.500 174.769 -1.269 18547 13666 1 14 . 1 1 121 121 GLU CA C 111 54.500 54.500 55.168 -0.668 18547 13667 1 14 . 1 1 121 121 GLU CB C 111 33.100 33.100 30.801 2.299 18547 13668 1 14 . 1 1 121 121 GLU H H 111 8.970 8.970 8.802 0.168 18547 13669 1 14 . 1 1 122 122 LEU N N 112 127.300 127.300 129.051 -1.751 18547 13670 1 14 . 1 1 122 122 LEU HA H 112 5.030 5.030 4.896 0.134 18547 13671 1 14 . 1 1 122 122 LEU C C 112 173.700 173.700 174.699 -0.999 18547 13672 1 14 . 1 1 122 122 LEU CA C 112 53.200 53.200 53.637 -0.437 18547 13673 1 14 . 1 1 122 122 LEU CB C 112 45.400 45.400 44.203 1.197 18547 13674 1 14 . 1 1 122 122 LEU H H 112 8.950 8.950 8.787 0.163 18547 13675 1 14 . 1 1 123 123 GLU N N 113 127.900 127.900 128.376 -0.476 18547 13676 1 14 . 1 1 123 123 GLU HA H 113 5.750 5.750 5.089 0.661 18547 13677 1 14 . 1 1 123 123 GLU C C 113 174.200 174.200 175.125 -0.925 18547 13678 1 14 . 1 1 123 123 GLU CA C 113 52.900 52.900 54.669 -1.769 18547 13679 1 14 . 1 1 123 123 GLU CB C 113 33.300 33.300 30.747 2.553 18547 13680 1 14 . 1 1 123 123 GLU H H 113 9.350 9.350 8.594 0.756 18547 13681 1 14 . 1 1 124 124 HIS N N 114 128.200 128.200 126.724 1.476 18547 13682 1 14 . 1 1 124 124 HIS HA H 114 5.240 5.240 4.737 0.503 18547 13683 1 14 . 1 1 124 124 HIS C C 114 173.900 173.900 173.095 0.805 18547 13684 1 14 . 1 1 124 124 HIS CA C 114 54.300 54.300 54.278 0.022 18547 13685 1 14 . 1 1 124 124 HIS CB C 114 34.600 34.600 32.060 2.539 18547 13686 1 14 . 1 1 124 124 HIS H H 114 8.770 8.770 8.360 0.410 18547 13687 1 14 . 1 1 125 125 ALA N N 115 128.600 128.600 130.998 -2.398 18547 13688 1 14 . 1 1 125 125 ALA HA H 115 5.150 5.150 5.473 -0.323 18547 13689 1 14 . 1 1 125 125 ALA C C 115 175.400 175.400 175.724 -0.324 18547 13690 1 14 . 1 1 125 125 ALA CA C 115 50.100 50.100 50.395 -0.296 18547 13691 1 14 . 1 1 125 125 ALA CB C 115 22.500 22.500 21.301 1.199 18547 13692 1 14 . 1 1 125 125 ALA H H 115 9.360 9.360 8.676 0.684 18547 13693 1 14 . 1 1 126 126 THR N N 116 115.800 115.800 117.796 -1.996 18547 13694 1 14 . 1 1 126 126 THR HA H 116 4.960 4.960 4.741 0.219 18547 13695 1 14 . 1 1 126 126 THR C C 116 172.200 172.200 174.928 -2.728 18547 13696 1 14 . 1 1 126 126 THR CA C 116 58.800 58.800 60.059 -1.259 18547 13697 1 14 . 1 1 126 126 THR CB C 116 69.200 69.200 71.061 -1.861 18547 13698 1 14 . 1 1 126 126 THR H H 116 8.760 8.760 8.660 0.100 18547 13699 1 14 . 1 1 127 127 THR N N 117 116.000 116.000 115.818 0.182 18547 13700 1 14 . 1 1 127 127 THR HA H 117 4.390 4.390 4.339 0.051 18547 13701 1 14 . 1 1 127 127 THR C C 117 174.400 174.400 174.715 -0.315 18547 13702 1 14 . 1 1 127 127 THR CA C 117 62.900 62.900 62.525 0.375 18547 13703 1 14 . 1 1 127 127 THR CB C 117 68.800 68.800 68.918 -0.118 18547 13704 1 14 . 1 1 127 127 THR H H 117 8.460 8.460 8.634 -0.174 18547 13705 1 14 . 1 1 128 128 SER N N 118 116.400 116.400 118.273 -1.873 18547 13706 1 14 . 1 1 128 128 SER HA H 118 4.890 4.890 4.661 0.229 18547 13707 1 14 . 1 1 128 128 SER C C 118 174.700 174.700 174.115 0.585 18547 13708 1 14 . 1 1 128 128 SER CA C 118 55.400 55.400 57.102 -1.702 18547 13709 1 14 . 1 1 128 128 SER CB C 118 63.000 63.000 64.337 -1.337 18547 13710 1 14 . 1 1 128 128 SER H H 118 7.730 7.730 7.638 0.092 18547 13711 1 14 . 1 1 129 129 GLU N N 119 130.300 130.300 127.428 2.872 18547 13712 1 14 . 1 1 129 129 GLU HA H 119 3.940 3.940 3.920 0.020 18547 13713 1 14 . 1 1 129 129 GLU C C 119 178.400 178.400 178.367 0.033 18547 13714 1 14 . 1 1 129 129 GLU CA C 119 59.900 59.900 60.144 -0.244 18547 13715 1 14 . 1 1 129 129 GLU CB C 119 29.700 29.700 29.457 0.243 18547 13716 1 14 . 1 1 129 129 GLU H H 119 9.000 9.000 9.147 -0.147 18547 13717 1 14 . 1 1 130 130 GLN N N 120 117.300 117.300 117.895 -0.595 18547 13718 1 14 . 1 1 130 130 GLN HA H 120 4.120 4.120 4.020 0.100 18547 13719 1 14 . 1 1 130 130 GLN C C 120 177.900 177.900 177.923 -0.023 18547 13720 1 14 . 1 1 130 130 GLN CA C 120 58.400 58.400 58.752 -0.352 18547 13721 1 14 . 1 1 130 130 GLN CB C 120 28.000 28.000 28.003 -0.003 18547 13722 1 14 . 1 1 130 130 GLN H H 120 8.410 8.410 8.529 -0.119 18547 13723 1 14 . 1 1 131 131 MET N N 121 118.300 118.300 119.885 -1.585 18547 13724 1 14 . 1 1 131 131 MET HA H 121 4.240 4.240 4.250 -0.010 18547 13725 1 14 . 1 1 131 131 MET C C 121 176.400 176.400 178.343 -1.943 18547 13726 1 14 . 1 1 131 131 MET CA C 121 57.300 57.300 58.505 -1.204 18547 13727 1 14 . 1 1 131 131 MET CB C 121 32.400 32.400 32.236 0.164 18547 13728 1 14 . 1 1 131 131 MET H H 121 7.640 7.640 8.106 -0.466 18547 13729 1 14 . 1 1 132 132 LEU N N 122 118.700 118.700 119.091 -0.391 18547 13730 1 14 . 1 1 132 132 LEU HA H 122 3.630 3.630 3.776 -0.146 18547 13731 1 14 . 1 1 132 132 LEU C C 122 177.100 177.100 179.194 -2.094 18547 13732 1 14 . 1 1 132 132 LEU CA C 122 58.300 58.300 57.601 0.699 18547 13733 1 14 . 1 1 132 132 LEU CB C 122 41.900 41.900 41.517 0.383 18547 13734 1 14 . 1 1 132 132 LEU H H 122 7.470 7.470 7.672 -0.202 18547 13735 1 14 . 1 1 133 133 VAL N N 123 114.600 114.600 118.467 -3.867 18547 13736 1 14 . 1 1 133 133 VAL HA H 123 3.360 3.360 3.489 -0.129 18547 13737 1 14 . 1 1 133 133 VAL C C 123 176.700 176.700 177.892 -1.192 18547 13738 1 14 . 1 1 133 133 VAL CA C 123 66.600 66.600 66.090 0.510 18547 13739 1 14 . 1 1 133 133 VAL CB C 123 31.800 31.800 30.816 0.984 18547 13740 1 14 . 1 1 133 133 VAL H H 123 7.040 7.040 7.492 -0.452 18547 13741 1 14 . 1 1 134 134 GLU N N 124 116.700 116.700 120.655 -3.955 18547 13742 1 14 . 1 1 134 134 GLU HA H 124 3.900 3.900 3.753 0.147 18547 13743 1 14 . 1 1 134 134 GLU C C 124 180.700 180.700 179.030 1.670 18547 13744 1 14 . 1 1 134 134 GLU CA C 124 59.300 59.300 59.870 -0.570 18547 13745 1 14 . 1 1 134 134 GLU CB C 124 29.900 29.900 29.720 0.180 18547 13746 1 14 . 1 1 134 134 GLU H H 124 7.200 7.200 8.126 -0.926 18547 13747 1 14 . 1 1 135 135 VAL N N 125 114.700 114.700 113.928 0.772 18547 13748 1 14 . 1 1 135 135 VAL HA H 125 3.930 3.930 3.620 0.310 18547 13749 1 14 . 1 1 135 135 VAL C C 125 177.900 177.900 177.630 0.270 18547 13750 1 14 . 1 1 135 135 VAL CA C 125 63.800 63.800 65.185 -1.385 18547 13751 1 14 . 1 1 135 135 VAL CB C 125 30.400 30.400 30.944 -0.544 18547 13752 1 14 . 1 1 135 135 VAL H H 125 8.620 8.620 7.992 0.628 18547 13753 1 14 . 1 1 136 136 GLY N N 126 112.200 112.200 108.188 4.012 18547 13754 1 14 . 1 1 136 136 GLY C C 126 174.800 174.800 176.138 -1.338 18547 13755 1 14 . 1 1 136 136 GLY CA C 126 47.200 47.200 46.564 0.636 18547 13756 1 14 . 1 1 136 136 GLY H H 126 7.750 7.750 7.497 0.253 18547 13757 1 14 . 1 1 137 137 VAL N N 127 119.100 119.100 122.445 -3.345 18547 13758 1 14 . 1 1 137 137 VAL HA H 127 3.510 3.510 3.847 -0.337 18547 13759 1 14 . 1 1 137 137 VAL C C 127 179.100 179.100 177.839 1.261 18547 13760 1 14 . 1 1 137 137 VAL CA C 127 67.400 67.400 65.804 1.596 18547 13761 1 14 . 1 1 137 137 VAL CB C 127 32.500 32.500 31.610 0.890 18547 13762 1 14 . 1 1 137 137 VAL H H 127 7.680 7.680 7.623 0.057 18547 13763 1 14 . 1 1 138 138 GLY N N 128 106.300 106.300 108.101 -1.801 18547 13764 1 14 . 1 1 138 138 GLY C C 128 177.900 177.900 175.934 1.966 18547 13765 1 14 . 1 1 138 138 GLY CA C 128 47.300 47.300 47.172 0.128 18547 13766 1 14 . 1 1 138 138 GLY H H 128 8.210 8.210 7.930 0.280 18547 13767 1 14 . 1 1 139 139 TRP N N 129 122.500 122.500 121.966 0.534 18547 13768 1 14 . 1 1 139 139 TRP HA H 129 4.890 4.890 4.280 0.610 18547 13769 1 14 . 1 1 139 139 TRP C C 129 179.100 179.100 178.979 0.121 18547 13770 1 14 . 1 1 139 139 TRP CA C 129 59.800 59.800 59.417 0.383 18547 13771 1 14 . 1 1 139 139 TRP CB C 129 30.100 30.100 29.327 0.773 18547 13772 1 14 . 1 1 139 139 TRP H H 129 8.880 8.880 8.030 0.850 18547 13773 1 14 . 1 1 140 140 GLU N N 130 119.000 119.000 118.258 0.742 18547 13774 1 14 . 1 1 140 140 GLU HA H 130 4.020 4.020 4.061 -0.041 18547 13775 1 14 . 1 1 140 140 GLU C C 130 179.300 179.300 179.267 0.033 18547 13776 1 14 . 1 1 140 140 GLU CA C 130 62.900 62.900 59.486 3.414 18547 13777 1 14 . 1 1 140 140 GLU CB C 130 30.600 30.600 29.230 1.370 18547 13778 1 14 . 1 1 140 140 GLU H H 130 8.210 8.210 7.820 0.390 18547 13779 1 14 . 1 1 141 141 MET N N 131 117.100 117.100 118.338 -1.238 18547 13780 1 14 . 1 1 141 141 MET HA H 131 4.330 4.330 3.855 0.475 18547 13781 1 14 . 1 1 141 141 MET C C 131 178.500 178.500 178.200 0.300 18547 13782 1 14 . 1 1 141 141 MET CA C 131 57.700 57.700 58.997 -1.297 18547 13783 1 14 . 1 1 141 141 MET CB C 131 30.600 30.600 32.424 -1.824 18547 13784 1 14 . 1 1 141 141 MET H H 131 8.210 8.210 7.793 0.417 18547 13785 1 14 . 1 1 142 142 ALA N N 132 121.400 121.400 122.173 -0.773 18547 13786 1 14 . 1 1 142 142 ALA HA H 132 4.720 4.720 4.704 0.016 18547 13787 1 14 . 1 1 142 142 ALA C C 132 180.900 180.900 180.119 0.781 18547 13788 1 14 . 1 1 142 142 ALA CA C 132 55.700 55.700 55.054 0.646 18547 13789 1 14 . 1 1 142 142 ALA CB C 132 18.200 18.200 18.988 -0.788 18547 13790 1 14 . 1 1 142 142 ALA H H 132 7.910 7.910 8.200 -0.290 18547 13791 1 14 . 1 1 143 143 LEU N N 133 117.200 117.200 118.888 -1.688 18547 13792 1 14 . 1 1 143 143 LEU HA H 133 4.150 4.150 4.459 -0.309 18547 13793 1 14 . 1 1 143 143 LEU C C 133 180.300 180.300 178.823 1.477 18547 13794 1 14 . 1 1 143 143 LEU CA C 133 57.300 57.300 57.014 0.286 18547 13795 1 14 . 1 1 143 143 LEU CB C 133 40.600 40.600 41.430 -0.830 18547 13796 1 14 . 1 1 143 143 LEU H H 133 9.190 9.190 8.199 0.991 18547 13797 1 14 . 1 1 144 144 ASP N N 134 122.600 122.600 120.992 1.608 18547 13798 1 14 . 1 1 144 144 ASP HA H 134 4.580 4.580 4.431 0.149 18547 13799 1 14 . 1 1 144 144 ASP C C 134 179.900 179.900 178.434 1.466 18547 13800 1 14 . 1 1 144 144 ASP CA C 134 57.800 57.800 57.360 0.440 18547 13801 1 14 . 1 1 144 144 ASP CB C 134 39.800 39.800 40.867 -1.067 18547 13802 1 14 . 1 1 144 144 ASP H H 134 7.930 7.930 7.839 0.091 18547 13803 1 14 . 1 1 145 145 PHE N N 135 119.300 119.300 119.008 0.292 18547 13804 1 14 . 1 1 145 145 PHE HA H 135 4.580 4.580 4.500 0.080 18547 13805 1 14 . 1 1 145 145 PHE C C 135 178.000 178.000 178.136 -0.136 18547 13806 1 14 . 1 1 145 145 PHE CA C 135 61.700 61.700 60.103 1.597 18547 13807 1 14 . 1 1 145 145 PHE CB C 135 39.400 39.400 38.697 0.704 18547 13808 1 14 . 1 1 145 145 PHE H H 135 7.690 7.690 8.383 -0.693 18547 13809 1 14 . 1 1 146 146 LEU N N 136 124.400 124.400 120.404 3.996 18547 13810 1 14 . 1 1 146 146 LEU HA H 136 3.200 3.200 4.293 -1.093 18547 13811 1 14 . 1 1 146 146 LEU C C 136 178.800 178.800 178.967 -0.167 18547 13812 1 14 . 1 1 146 146 LEU CA C 136 58.400 58.400 57.270 1.130 18547 13813 1 14 . 1 1 146 146 LEU CB C 136 38.800 38.800 41.048 -2.248 18547 13814 1 14 . 1 1 146 146 LEU H H 136 7.930 7.930 8.348 -0.418 18547 13815 1 14 . 1 1 147 147 GLY N N 137 104.200 104.200 107.541 -3.341 18547 13816 1 14 . 1 1 147 147 GLY C C 137 176.100 176.100 176.227 -0.127 18547 13817 1 14 . 1 1 147 147 GLY CA C 137 47.900 47.900 47.131 0.769 18547 13818 1 14 . 1 1 147 147 GLY H H 137 8.340 8.340 7.576 0.764 18547 13819 1 14 . 1 1 148 148 MET N N 138 119.300 119.300 120.917 -1.617 18547 13820 1 14 . 1 1 148 148 MET HA H 138 4.090 4.090 4.230 -0.140 18547 13821 1 14 . 1 1 148 148 MET C C 138 177.700 177.700 178.208 -0.508 18547 13822 1 14 . 1 1 148 148 MET CA C 138 59.400 59.400 58.732 0.668 18547 13823 1 14 . 1 1 148 148 MET CB C 138 34.500 34.500 32.644 1.857 18547 13824 1 14 . 1 1 148 148 MET H H 138 7.550 7.550 8.115 -0.565 18547 13825 1 14 . 1 1 149 149 PHE N N 139 120.400 120.400 121.436 -1.036 18547 13826 1 14 . 1 1 149 149 PHE HA H 139 4.380 4.380 4.596 -0.216 18547 13827 1 14 . 1 1 149 149 PHE C C 139 179.100 179.100 177.959 1.141 18547 13828 1 14 . 1 1 149 149 PHE CA C 139 60.800 60.800 60.700 0.100 18547 13829 1 14 . 1 1 149 149 PHE CB C 139 39.200 39.200 39.129 0.071 18547 13830 1 14 . 1 1 149 149 PHE H H 139 8.600 8.600 8.339 0.261 18547 13831 1 14 . 1 1 150 150 ILE N N 140 121.300 121.300 117.318 3.982 18547 13832 1 14 . 1 1 150 150 ILE HA H 140 3.420 3.420 3.485 -0.065 18547 13833 1 14 . 1 1 150 150 ILE C C 140 177.500 177.500 176.742 0.758 18547 13834 1 14 . 1 1 150 150 ILE CA C 140 63.100 63.100 62.712 0.388 18547 13835 1 14 . 1 1 150 150 ILE CB C 140 37.100 37.100 38.393 -1.293 18547 13836 1 14 . 1 1 150 150 ILE H H 140 8.780 8.780 7.726 1.054 18547 13837 1 14 . 1 1 151 151 ARG N N 141 116.500 116.500 118.142 -1.642 18547 13838 1 14 . 1 1 151 151 ARG HA H 141 4.220 4.220 4.161 0.059 18547 13839 1 14 . 1 1 151 151 ARG C C 141 176.700 176.700 176.499 0.201 18547 13840 1 14 . 1 1 151 151 ARG CA C 141 57.500 57.500 57.616 -0.116 18547 13841 1 14 . 1 1 151 151 ARG CB C 141 31.500 31.500 31.375 0.125 18547 13842 1 14 . 1 1 151 151 ARG H H 141 7.730 7.730 7.707 0.023 18547 13843 1 14 . 1 1 152 152 GLY N N 142 106.800 106.800 105.971 0.829 18547 13844 1 14 . 1 1 152 152 GLY C C 142 174.900 174.900 173.769 1.131 18547 13845 1 14 . 1 1 152 152 GLY CA C 142 45.700 45.700 45.449 0.251 18547 13846 1 14 . 1 1 152 152 GLY H H 142 7.570 7.570 7.747 -0.177 18547 13847 1 14 . 1 1 153 153 ASP N N 143 119.400 119.400 121.171 -1.771 18547 13848 1 14 . 1 1 153 153 ASP HA H 143 4.780 4.780 4.741 0.039 18547 13849 1 14 . 1 1 153 153 ASP C C 143 175.400 175.400 176.633 -1.233 18547 13850 1 14 . 1 1 153 153 ASP CA C 143 54.200 54.200 53.544 0.656 18547 13851 1 14 . 1 1 153 153 ASP CB C 143 42.100 42.100 42.268 -0.168 18547 13852 1 14 . 1 1 153 153 ASP H H 143 8.290 8.290 8.145 0.145 18547 13853 1 14 . 1 1 154 154 LEU N N 144 121.300 121.300 119.139 2.161 18547 13854 1 14 . 1 1 154 154 LEU HA H 144 4.810 4.810 4.261 0.549 18547 13855 1 14 . 1 1 154 154 LEU CA C 144 52.800 52.800 54.760 -1.960 18547 13856 1 14 . 1 1 154 154 LEU CB C 144 42.500 42.500 41.439 1.061 18547 13857 1 14 . 1 1 154 154 LEU H H 144 8.010 8.010 8.681 -0.671 18547 13858 1 14 . 1 1 155 155 PRO HA H 145 4.480 4.480 4.549 -0.069 18547 13859 1 14 . 1 1 155 155 PRO C C 145 177.600 177.600 176.544 1.056 18547 13860 1 14 . 1 1 155 155 PRO CA C 145 63.500 63.500 63.234 0.266 18547 13861 1 14 . 1 1 155 155 PRO CB C 145 32.200 32.200 32.616 -0.416 18547 13862 1 14 . 1 1 156 156 GLY N N 146 108.900 108.900 107.340 1.560 18547 13863 1 14 . 1 1 156 156 GLY C C 146 174.300 174.300 172.776 1.524 18547 13864 1 14 . 1 1 156 156 GLY CA C 146 45.100 45.100 44.442 0.658 18547 13865 1 14 . 1 1 156 156 GLY H H 146 8.530 8.530 7.627 0.903 18547 13866 1 14 . 1 1 157 157 GLY N N 147 108.800 108.800 106.556 2.244 18547 13867 1 14 . 1 1 157 157 GLY CA C 147 44.500 44.500 45.574 -1.073 18547 13868 1 14 . 1 1 157 157 GLY H H 147 8.080 8.080 8.106 -0.026 18547 13869 1 14 . 1 1 158 158 PRO HA H 148 4.440 4.440 4.320 0.120 18547 13870 1 14 . 1 1 158 158 PRO C C 148 176.800 176.800 176.681 0.119 18547 13871 1 14 . 1 1 158 158 PRO CA C 148 63.000 63.000 63.922 -0.922 18547 13872 1 14 . 1 1 158 158 PRO CB C 148 32.100 32.100 32.045 0.055 18547 13873 1 14 . 1 1 159 159 VAL N N 149 121.400 121.400 116.592 4.808 18547 13874 1 14 . 1 1 159 159 VAL HA H 149 4.390 4.390 4.564 -0.174 18547 13875 1 14 . 1 1 159 159 VAL CA C 149 59.800 59.800 58.350 1.450 18547 13876 1 14 . 1 1 159 159 VAL CB C 149 32.600 32.600 32.922 -0.322 18547 13877 1 14 . 1 1 159 159 VAL H H 149 8.220 8.220 7.477 0.743 18547 13878 1 14 . 1 1 160 160 PRO HA H 150 4.380 4.380 4.349 0.031 18547 13879 1 14 . 1 1 160 160 PRO C C 150 177.200 177.200 176.779 0.421 18547 13880 1 14 . 1 1 160 160 PRO CA C 150 63.300 63.300 64.884 -1.584 18547 13881 1 14 . 1 1 160 160 PRO CB C 150 32.100 32.100 32.448 -0.348 18547 13882 1 14 . 1 1 161 161 GLU N N 151 120.700 120.700 116.016 4.684 18547 13883 1 14 . 1 1 161 161 GLU HA H 151 4.170 4.170 4.378 -0.208 18547 13884 1 14 . 1 1 161 161 GLU CA C 151 57.400 57.400 56.313 1.087 18547 13885 1 14 . 1 1 161 161 GLU CB C 151 29.900 29.900 31.754 -1.854 18547 13886 1 14 . 1 1 161 161 GLU H H 151 8.620 8.620 8.134 0.486 18547 13887 1 14 . 1 1 162 162 ASP N N 152 119.900 119.900 119.831 0.069 18547 13888 1 14 . 1 1 162 162 ASP HA H 152 4.570 4.570 4.308 0.262 18547 13889 1 14 . 1 1 162 162 ASP C C 152 176.000 176.000 174.744 1.256 18547 13890 1 14 . 1 1 162 162 ASP CA C 152 54.200 54.200 54.666 -0.466 18547 13891 1 14 . 1 1 162 162 ASP CB C 152 41.000 41.000 40.034 0.966 18547 13892 1 14 . 1 1 162 162 ASP H H 152 8.250 8.250 8.229 0.021 18547 13893 1 14 . 1 1 163 163 ALA N N 153 124.000 124.000 124.343 -0.343 18547 13894 1 14 . 1 1 163 163 ALA HA H 153 4.270 4.270 4.450 -0.180 18547 13895 1 14 . 1 1 163 163 ALA C C 153 177.400 177.400 176.324 1.076 18547 13896 1 14 . 1 1 163 163 ALA CA C 153 52.700 52.700 52.231 0.469 18547 13897 1 14 . 1 1 163 163 ALA CB C 153 19.200 19.200 19.969 -0.769 18547 13898 1 14 . 1 1 163 163 ALA H H 153 8.040 8.040 7.869 0.171 18547 13899 1 14 . 1 1 164 164 ALA N N 154 122.600 122.600 122.395 0.205 18547 13900 1 14 . 1 1 164 164 ALA HA H 154 4.260 4.260 4.155 0.105 18547 13901 1 14 . 1 1 164 164 ALA C C 154 177.900 177.900 176.374 1.526 18547 13902 1 14 . 1 1 164 164 ALA CA C 154 52.600 52.600 52.971 -0.371 18547 13903 1 14 . 1 1 164 164 ALA CB C 154 19.300 19.300 17.630 1.670 18547 13904 1 14 . 1 1 164 164 ALA H H 154 8.190 8.190 8.139 0.051 18547 13905 1 14 . 1 1 165 165 GLU N N 155 119.400 119.400 120.069 -0.669 18547 13906 1 14 . 1 1 165 165 GLU HA H 155 4.220 4.220 4.625 -0.405 18547 13907 1 14 . 1 1 165 165 GLU C C 155 176.200 176.200 175.144 1.056 18547 13908 1 14 . 1 1 165 165 GLU CA C 155 56.500 56.500 55.272 1.228 18547 13909 1 14 . 1 1 165 165 GLU CB C 155 30.300 30.300 30.396 -0.097 18547 13910 1 14 . 1 1 165 165 GLU H H 155 8.190 8.190 8.376 -0.186 18547 13911 1 14 . 1 1 166 166 GLU N N 156 121.000 121.000 122.348 -1.348 18547 13912 1 14 . 1 1 166 166 GLU HA H 156 4.240 4.240 4.369 -0.129 18547 13913 1 14 . 1 1 166 166 GLU C C 156 175.800 175.800 177.818 -2.018 18547 13914 1 14 . 1 1 166 166 GLU CA C 156 56.300 56.300 57.303 -1.003 18547 13915 1 14 . 1 1 166 166 GLU CB C 156 30.300 30.300 29.700 0.600 18547 13916 1 14 . 1 1 166 166 GLU H H 156 8.230 8.230 8.879 -0.649 18547 13917 1 14 . 1 1 167 167 PHE N N 157 121.400 121.400 121.087 0.313 18547 13918 1 14 . 1 1 167 167 PHE HA H 157 4.590 4.590 4.401 0.189 18547 13919 1 14 . 1 1 167 167 PHE C C 157 175.100 175.100 175.248 -0.148 18547 13920 1 14 . 1 1 167 167 PHE CA C 157 57.700 57.700 59.544 -1.844 18547 13921 1 14 . 1 1 167 167 PHE CB C 157 39.900 39.900 39.701 0.199 18547 13922 1 14 . 1 1 167 167 PHE H H 157 8.240 8.240 8.055 0.185 18547 13923 1 14 . 1 1 168 168 GLU N N 158 124.400 124.400 115.968 8.432 18547 13924 1 14 . 1 1 168 168 GLU HA H 158 4.600 4.600 4.519 0.081 18547 13925 1 14 . 1 1 168 168 GLU CA C 158 53.700 53.700 53.748 -0.048 18547 13926 1 14 . 1 1 168 168 GLU CB C 158 30.400 30.400 29.988 0.412 18547 13927 1 14 . 1 1 168 168 GLU H H 158 8.130 8.130 7.976 0.154 18547 13928 1 14 . 1 1 169 169 PRO HA H 159 4.460 4.460 4.277 0.183 18547 13929 1 14 . 1 1 169 169 PRO C C 159 176.200 176.200 176.428 -0.228 18547 13930 1 14 . 1 1 169 169 PRO CA C 159 62.800 62.800 63.589 -0.789 18547 13931 1 14 . 1 1 169 169 PRO CB C 159 32.300 32.300 32.128 0.172 18547 13932 1 14 . 1 1 170 170 SER N N 160 118.600 118.600 111.086 7.514 18547 13933 1 14 . 1 1 170 170 SER HA H 160 4.780 4.780 4.676 0.104 18547 13934 1 14 . 1 1 170 170 SER CA C 160 56.200 56.200 56.018 0.182 18547 13935 1 14 . 1 1 170 170 SER CB C 160 63.200 63.200 65.027 -1.827 18547 13936 1 14 . 1 1 170 170 SER H H 160 8.290 8.290 7.674 0.616 18547 13937 1 14 . 1 1 171 171 PRO HA H 161 4.350 4.350 4.232 0.118 18547 13938 1 14 . 1 1 171 171 PRO C C 161 179.400 179.400 178.196 1.204 18547 13939 1 14 . 1 1 171 171 PRO CA C 161 65.500 65.500 65.579 -0.079 18547 13940 1 14 . 1 1 171 171 PRO CB C 161 31.700 31.700 31.916 -0.215 18547 13941 1 14 . 1 1 172 172 GLU N N 162 118.300 118.300 117.850 0.450 18547 13942 1 14 . 1 1 172 172 GLU HA H 162 4.160 4.160 4.160 -0.000 18547 13943 1 14 . 1 1 172 172 GLU C C 162 178.300 178.300 179.093 -0.793 18547 13944 1 14 . 1 1 172 172 GLU CA C 162 59.300 59.300 59.630 -0.330 18547 13945 1 14 . 1 1 172 172 GLU CB C 162 29.400 29.400 28.863 0.537 18547 13946 1 14 . 1 1 172 172 GLU H H 162 8.540 8.540 8.951 -0.411 18547 13947 1 14 . 1 1 173 173 MET N N 163 119.400 119.400 118.879 0.521 18547 13948 1 14 . 1 1 173 173 MET HA H 163 4.260 4.260 4.291 -0.031 18547 13949 1 14 . 1 1 173 173 MET C C 163 179.200 179.200 178.867 0.333 18547 13950 1 14 . 1 1 173 173 MET CA C 163 58.200 58.200 57.996 0.204 18547 13951 1 14 . 1 1 173 173 MET CB C 163 32.500 32.500 31.982 0.518 18547 13952 1 14 . 1 1 173 173 MET H H 163 7.830 7.830 7.598 0.232 18547 13953 1 14 . 1 1 174 174 MET N N 164 119.300 119.300 118.575 0.725 18547 13954 1 14 . 1 1 174 174 MET HA H 164 4.260 4.260 4.075 0.185 18547 13955 1 14 . 1 1 174 174 MET C C 164 178.600 178.600 178.401 0.199 18547 13956 1 14 . 1 1 174 174 MET CA C 164 58.200 58.200 59.314 -1.114 18547 13957 1 14 . 1 1 174 174 MET CB C 164 31.900 31.900 32.256 -0.356 18547 13958 1 14 . 1 1 174 174 MET H H 164 8.320 8.320 8.497 -0.177 18547 13959 1 14 . 1 1 175 175 ARG N N 165 121.200 121.200 120.182 1.018 18547 13960 1 14 . 1 1 175 175 ARG HA H 165 4.160 4.160 4.082 0.078 18547 13961 1 14 . 1 1 175 175 ARG C C 165 178.800 178.800 178.510 0.290 18547 13962 1 14 . 1 1 175 175 ARG CA C 165 59.400 59.400 58.791 0.609 18547 13963 1 14 . 1 1 175 175 ARG CB C 165 29.900 29.900 29.434 0.466 18547 13964 1 14 . 1 1 175 175 ARG H H 165 8.020 8.020 7.890 0.130 18547 13965 1 14 . 1 1 176 176 ILE N N 166 120.500 120.500 119.649 0.851 18547 13966 1 14 . 1 1 176 176 ILE HA H 166 3.920 3.920 3.647 0.273 18547 13967 1 14 . 1 1 176 176 ILE C C 166 178.500 178.500 177.862 0.638 18547 13968 1 14 . 1 1 176 176 ILE CA C 166 64.500 64.500 65.454 -0.953 18547 13969 1 14 . 1 1 176 176 ILE CB C 166 37.900 37.900 37.570 0.330 18547 13970 1 14 . 1 1 176 176 ILE H H 166 8.110 8.110 8.139 -0.029 18547 13971 1 14 . 1 1 177 177 SER N N 167 116.300 116.300 114.453 1.847 18547 13972 1 14 . 1 1 177 177 SER HA H 167 4.240 4.240 4.161 0.079 18547 13973 1 14 . 1 1 177 177 SER C C 167 177.300 177.300 176.940 0.360 18547 13974 1 14 . 1 1 177 177 SER CA C 167 62.500 62.500 61.666 0.834 18547 13975 1 14 . 1 1 177 177 SER CB C 167 62.800 62.800 63.031 -0.231 18547 13976 1 14 . 1 1 177 177 SER H H 167 8.290 8.290 7.981 0.309 18547 13977 1 14 . 1 1 178 178 GLN N N 168 123.300 123.300 120.640 2.660 18547 13978 1 14 . 1 1 178 178 GLN HA H 168 4.110 4.110 4.071 0.039 18547 13979 1 14 . 1 1 178 178 GLN C C 168 178.600 178.600 178.404 0.196 18547 13980 1 14 . 1 1 178 178 GLN CA C 168 59.200 59.200 58.342 0.858 18547 13981 1 14 . 1 1 178 178 GLN CB C 168 28.000 28.000 28.296 -0.296 18547 13982 1 14 . 1 1 178 178 GLN H H 168 8.080 8.080 7.679 0.401 18547 13983 1 14 . 1 1 179 179 GLU N N 169 121.200 121.200 119.962 1.238 18547 13984 1 14 . 1 1 179 179 GLU HA H 169 4.090 4.090 3.959 0.131 18547 13985 1 14 . 1 1 179 179 GLU C C 169 180.500 180.500 179.530 0.970 18547 13986 1 14 . 1 1 179 179 GLU CA C 169 59.500 59.500 59.400 0.100 18547 13987 1 14 . 1 1 179 179 GLU CB C 169 29.700 29.700 29.241 0.460 18547 13988 1 14 . 1 1 179 179 GLU H H 169 8.380 8.380 8.465 -0.085 18547 13989 1 14 . 1 1 180 180 ARG N N 170 120.800 120.800 117.342 3.458 18547 13990 1 14 . 1 1 180 180 ARG HA H 170 4.010 4.010 4.230 -0.220 18547 13991 1 14 . 1 1 180 180 ARG C C 170 178.100 178.100 178.991 -0.891 18547 13992 1 14 . 1 1 180 180 ARG CA C 170 59.900 59.900 57.611 2.289 18547 13993 1 14 . 1 1 180 180 ARG CB C 170 30.600 30.600 29.757 0.843 18547 13994 1 14 . 1 1 180 180 ARG H H 170 8.670 8.670 8.138 0.532 18547 13995 1 14 . 1 1 181 181 GLY N N 171 108.200 108.200 108.647 -0.447 18547 13996 1 14 . 1 1 181 181 GLY C C 171 176.600 176.600 176.589 0.011 18547 13997 1 14 . 1 1 181 181 GLY CA C 171 47.800 47.800 47.134 0.666 18547 13998 1 14 . 1 1 181 181 GLY H H 171 8.550 8.550 8.126 0.424 18547 13999 1 14 . 1 1 182 182 GLU N N 172 121.900 121.900 121.933 -0.033 18547 14000 1 14 . 1 1 182 182 GLU HA H 172 4.110 4.110 3.965 0.145 18547 14001 1 14 . 1 1 182 182 GLU C C 172 179.300 179.300 179.100 0.200 18547 14002 1 14 . 1 1 182 182 GLU CA C 172 59.300 59.300 59.370 -0.070 18547 14003 1 14 . 1 1 182 182 GLU CB C 172 29.300 29.300 29.161 0.139 18547 14004 1 14 . 1 1 182 182 GLU H H 172 8.190 8.190 8.398 -0.208 18547 14005 1 14 . 1 1 183 183 ALA N N 173 123.500 123.500 121.783 1.717 18547 14006 1 14 . 1 1 183 183 ALA HA H 173 4.150 4.150 4.041 0.109 18547 14007 1 14 . 1 1 183 183 ALA C C 173 181.500 181.500 179.816 1.684 18547 14008 1 14 . 1 1 183 183 ALA CA C 173 55.000 55.000 54.680 0.320 18547 14009 1 14 . 1 1 183 183 ALA CB C 173 17.100 17.100 18.087 -0.987 18547 14010 1 14 . 1 1 183 183 ALA H H 173 7.800 7.800 7.625 0.175 18547 14011 1 14 . 1 1 184 184 TRP N N 174 118.100 118.100 118.894 -0.794 18547 14012 1 14 . 1 1 184 184 TRP HA H 174 4.540 4.540 4.384 0.156 18547 14013 1 14 . 1 1 184 184 TRP C C 174 178.500 178.500 178.260 0.240 18547 14014 1 14 . 1 1 184 184 TRP CA C 174 60.600 60.600 59.550 1.050 18547 14015 1 14 . 1 1 184 184 TRP CB C 174 30.800 30.800 29.558 1.242 18547 14016 1 14 . 1 1 184 184 TRP H H 174 8.400 8.400 8.003 0.397 18547 14017 1 14 . 1 1 185 185 ALA N N 175 121.700 121.700 122.803 -1.103 18547 14018 1 14 . 1 1 185 185 ALA HA H 175 3.920 3.920 4.189 -0.269 18547 14019 1 14 . 1 1 185 185 ALA C C 175 179.600 179.600 179.000 0.600 18547 14020 1 14 . 1 1 185 185 ALA CA C 175 55.600 55.600 55.026 0.574 18547 14021 1 14 . 1 1 185 185 ALA CB C 175 17.900 17.900 17.978 -0.078 18547 14022 1 14 . 1 1 185 185 ALA H H 175 8.800 8.800 8.409 0.391 18547 14023 1 14 . 1 1 186 186 ALA N N 176 119.000 119.000 119.501 -0.501 18547 14024 1 14 . 1 1 186 186 ALA HA H 176 4.190 4.190 4.054 0.136 18547 14025 1 14 . 1 1 186 186 ALA C C 176 180.300 180.300 179.077 1.223 18547 14026 1 14 . 1 1 186 186 ALA CA C 176 54.800 54.800 54.185 0.615 18547 14027 1 14 . 1 1 186 186 ALA CB C 176 17.900 17.900 18.598 -0.698 18547 14028 1 14 . 1 1 186 186 ALA H H 176 7.860 7.860 7.855 0.005 18547 14029 1 14 . 1 1 187 187 LEU N N 177 118.500 118.500 119.084 -0.584 18547 14030 1 14 . 1 1 187 187 LEU HA H 177 4.210 4.210 4.263 -0.053 18547 14031 1 14 . 1 1 187 187 LEU C C 177 179.400 179.400 179.109 0.291 18547 14032 1 14 . 1 1 187 187 LEU CA C 177 57.600 57.600 57.130 0.470 18547 14033 1 14 . 1 1 187 187 LEU CB C 177 42.700 42.700 42.624 0.076 18547 14034 1 14 . 1 1 187 187 LEU H H 177 7.460 7.460 7.622 -0.162 18547 14035 1 14 . 1 1 188 188 VAL N N 178 118.500 118.500 118.864 -0.364 18547 14036 1 14 . 1 1 188 188 VAL HA H 178 3.660 3.660 3.769 -0.109 18547 14037 1 14 . 1 1 188 188 VAL C C 178 177.600 177.600 177.342 0.258 18547 14038 1 14 . 1 1 188 188 VAL CA C 178 66.000 66.000 65.050 0.950 18547 14039 1 14 . 1 1 188 188 VAL CB C 178 32.400 32.400 32.196 0.204 18547 14040 1 14 . 1 1 188 188 VAL H H 178 8.640 8.640 8.202 0.438 18547 14041 1 14 . 1 1 189 189 HIS N N 179 116.000 116.000 116.161 -0.161 18547 14042 1 14 . 1 1 189 189 HIS HA H 179 4.780 4.780 4.468 0.312 18547 14043 1 14 . 1 1 189 189 HIS C C 179 175.300 175.300 174.910 0.390 18547 14044 1 14 . 1 1 189 189 HIS CA C 179 56.200 56.200 57.064 -0.864 18547 14045 1 14 . 1 1 189 189 HIS CB C 179 28.500 28.500 30.179 -1.679 18547 14046 1 14 . 1 1 189 189 HIS H H 179 8.150 8.150 7.815 0.335 18547 14047 1 14 . 1 1 190 190 SER N N 180 115.000 115.000 115.038 -0.038 18547 14048 1 14 . 1 1 190 190 SER HA H 180 4.480 4.480 4.313 0.167 18547 14049 1 14 . 1 1 190 190 SER C C 180 175.100 175.100 175.044 0.056 18547 14050 1 14 . 1 1 190 190 SER CA C 180 59.500 59.500 58.916 0.584 18547 14051 1 14 . 1 1 190 190 SER CB C 180 64.000 64.000 63.076 0.924 18547 14052 1 14 . 1 1 190 190 SER H H 180 7.820 7.820 7.881 -0.061 18547 14053 1 14 . 1 1 191 191 GLY N N 181 111.100 111.100 113.395 -2.295 18547 14054 1 14 . 1 1 191 191 GLY C C 181 173.400 173.400 174.698 -1.298 18547 14055 1 14 . 1 1 191 191 GLY CA C 181 45.500 45.500 44.922 0.578 18547 14056 1 14 . 1 1 191 191 GLY H H 181 8.330 8.330 8.830 -0.500 18547 14057 1 15 . 1 1 12 12 ALA N N 2 125.600 125.600 127.045 -1.445 18547 14058 1 15 . 1 1 12 12 ALA HA H 2 4.300 4.300 4.455 -0.155 18547 14059 1 15 . 1 1 12 12 ALA C C 2 177.600 177.600 176.004 1.596 18547 14060 1 15 . 1 1 12 12 ALA CA C 2 52.600 52.600 52.673 -0.073 18547 14061 1 15 . 1 1 12 12 ALA CB C 2 19.200 19.200 17.925 1.275 18547 14062 1 15 . 1 1 12 12 ALA H H 2 8.380 8.380 8.867 -0.487 18547 14063 1 15 . 1 1 13 13 SER N N 3 115.000 115.000 116.971 -1.971 18547 14064 1 15 . 1 1 13 13 SER HA H 3 4.390 4.390 4.532 -0.142 18547 14065 1 15 . 1 1 13 13 SER C C 3 175.100 175.100 175.599 -0.499 18547 14066 1 15 . 1 1 13 13 SER CA C 3 58.500 58.500 57.928 0.572 18547 14067 1 15 . 1 1 13 13 SER CB C 3 63.800 63.800 63.855 -0.055 18547 14068 1 15 . 1 1 13 13 SER H H 3 8.250 8.250 7.968 0.282 18547 14069 1 15 . 1 1 14 14 GLY N N 4 110.700 110.700 111.719 -1.019 18547 14070 1 15 . 1 1 14 14 GLY C C 4 174.000 174.000 173.558 0.442 18547 14071 1 15 . 1 1 14 14 GLY CA C 4 45.400 45.400 44.728 0.672 18547 14072 1 15 . 1 1 14 14 GLY H H 4 8.390 8.390 8.381 0.009 18547 14073 1 15 . 1 1 15 15 GLN N N 5 120.100 120.100 120.099 0.001 18547 14074 1 15 . 1 1 15 15 GLN HA H 5 4.310 4.310 4.506 -0.196 18547 14075 1 15 . 1 1 15 15 GLN C C 5 175.500 175.500 174.536 0.964 18547 14076 1 15 . 1 1 15 15 GLN CA C 5 55.600 55.600 54.558 1.042 18547 14077 1 15 . 1 1 15 15 GLN CB C 5 29.700 29.700 27.771 1.929 18547 14078 1 15 . 1 1 15 15 GLN H H 5 8.190 8.190 7.719 0.471 18547 14079 1 15 . 1 1 16 16 ALA N N 6 126.000 126.000 126.619 -0.619 18547 14080 1 15 . 1 1 16 16 ALA HA H 6 4.360 4.360 4.588 -0.228 18547 14081 1 15 . 1 1 16 16 ALA C C 6 177.300 177.300 175.216 2.084 18547 14082 1 15 . 1 1 16 16 ALA CA C 6 52.300 52.300 51.696 0.604 18547 14083 1 15 . 1 1 16 16 ALA CB C 6 19.200 19.200 21.336 -2.136 18547 14084 1 15 . 1 1 16 16 ALA H H 6 8.400 8.400 8.074 0.326 18547 14085 1 15 . 1 1 17 17 THR N N 7 119.200 119.200 116.470 2.730 18547 14086 1 15 . 1 1 17 17 THR HA H 7 4.370 4.370 5.294 -0.924 18547 14087 1 15 . 1 1 17 17 THR C C 7 173.600 173.600 174.019 -0.419 18547 14088 1 15 . 1 1 17 17 THR CA C 7 63.200 63.200 61.752 1.448 18547 14089 1 15 . 1 1 17 17 THR CB C 7 70.600 70.600 69.352 1.248 18547 14090 1 15 . 1 1 17 17 THR H H 7 8.180 8.180 8.206 -0.026 18547 14091 1 15 . 1 1 18 18 GLU N N 8 127.500 127.500 127.873 -0.373 18547 14092 1 15 . 1 1 18 18 GLU HA H 8 4.540 4.540 4.653 -0.113 18547 14093 1 15 . 1 1 18 18 GLU C C 8 174.200 174.200 175.585 -1.385 18547 14094 1 15 . 1 1 18 18 GLU CA C 8 55.100 55.100 55.109 -0.009 18547 14095 1 15 . 1 1 18 18 GLU CB C 8 31.900 31.900 32.009 -0.109 18547 14096 1 15 . 1 1 18 18 GLU H H 8 8.810 8.810 8.601 0.209 18547 14097 1 15 . 1 1 19 19 ARG N N 9 122.100 122.100 124.249 -2.149 18547 14098 1 15 . 1 1 19 19 ARG HA H 9 5.060 5.060 4.640 0.420 18547 14099 1 15 . 1 1 19 19 ARG C C 9 175.000 175.000 175.686 -0.686 18547 14100 1 15 . 1 1 19 19 ARG CA C 9 54.800 54.800 56.353 -1.553 18547 14101 1 15 . 1 1 19 19 ARG CB C 9 31.600 31.600 31.210 0.390 18547 14102 1 15 . 1 1 19 19 ARG H H 9 8.070 8.070 8.664 -0.594 18547 14103 1 15 . 1 1 20 20 ALA N N 10 126.300 126.300 124.429 1.871 18547 14104 1 15 . 1 1 20 20 ALA HA H 10 4.640 4.640 4.679 -0.039 18547 14105 1 15 . 1 1 20 20 ALA C C 10 173.800 173.800 174.971 -1.171 18547 14106 1 15 . 1 1 20 20 ALA CA C 10 51.100 51.100 51.643 -0.543 18547 14107 1 15 . 1 1 20 20 ALA CB C 10 22.800 22.800 21.997 0.803 18547 14108 1 15 . 1 1 20 20 ALA H H 10 9.390 9.390 8.647 0.743 18547 14109 1 15 . 1 1 21 21 LEU N N 11 117.500 117.500 120.052 -2.552 18547 14110 1 15 . 1 1 21 21 LEU HA H 11 5.790 5.790 5.161 0.629 18547 14111 1 15 . 1 1 21 21 LEU C C 11 178.100 178.100 175.499 2.601 18547 14112 1 15 . 1 1 21 21 LEU CA C 11 53.100 53.100 54.262 -1.162 18547 14113 1 15 . 1 1 21 21 LEU CB C 11 45.400 45.400 46.663 -1.264 18547 14114 1 15 . 1 1 21 21 LEU H H 11 8.280 8.280 8.386 -0.106 18547 14115 1 15 . 1 1 22 22 GLY N N 12 113.400 113.400 109.499 3.901 18547 14116 1 15 . 1 1 22 22 GLY C C 12 174.800 174.800 172.358 2.442 18547 14117 1 15 . 1 1 22 22 GLY CA C 12 44.500 44.500 45.001 -0.501 18547 14118 1 15 . 1 1 22 22 GLY H H 12 8.830 8.830 8.991 -0.161 18547 14119 1 15 . 1 1 23 23 ARG N N 13 119.600 119.600 118.131 1.469 18547 14120 1 15 . 1 1 23 23 ARG HA H 13 5.040 5.040 4.651 0.389 18547 14121 1 15 . 1 1 23 23 ARG C C 13 174.900 174.900 173.942 0.958 18547 14122 1 15 . 1 1 23 23 ARG CA C 13 55.800 55.800 55.430 0.370 18547 14123 1 15 . 1 1 23 23 ARG CB C 13 33.600 33.600 32.777 0.823 18547 14124 1 15 . 1 1 23 23 ARG H H 13 8.160 8.160 8.350 -0.190 18547 14125 1 15 . 1 1 24 24 ARG N N 14 121.900 121.900 119.209 2.691 18547 14126 1 15 . 1 1 24 24 ARG HA H 14 4.530 4.530 4.464 0.066 18547 14127 1 15 . 1 1 24 24 ARG C C 14 174.000 174.000 174.201 -0.201 18547 14128 1 15 . 1 1 24 24 ARG CA C 14 55.200 55.200 56.197 -0.996 18547 14129 1 15 . 1 1 24 24 ARG CB C 14 34.700 34.700 32.654 2.046 18547 14130 1 15 . 1 1 24 24 ARG H H 14 8.780 8.780 8.806 -0.026 18547 14131 1 15 . 1 1 25 25 THR N N 15 121.700 121.700 123.336 -1.636 18547 14132 1 15 . 1 1 25 25 THR HA H 15 4.420 4.420 4.604 -0.184 18547 14133 1 15 . 1 1 25 25 THR C C 15 173.700 173.700 174.922 -1.222 18547 14134 1 15 . 1 1 25 25 THR CA C 15 63.600 63.600 62.828 0.772 18547 14135 1 15 . 1 1 25 25 THR CB C 15 68.600 68.600 68.440 0.160 18547 14136 1 15 . 1 1 25 25 THR H H 15 8.800 8.800 8.408 0.392 18547 14137 1 15 . 1 1 26 26 ILE N N 16 124.200 124.200 124.485 -0.285 18547 14138 1 15 . 1 1 26 26 ILE HA H 16 4.940 4.940 4.840 0.100 18547 14139 1 15 . 1 1 26 26 ILE CA C 16 59.300 59.300 57.544 1.756 18547 14140 1 15 . 1 1 26 26 ILE CB C 16 38.200 38.200 37.225 0.975 18547 14141 1 15 . 1 1 26 26 ILE H H 16 8.420 8.420 7.959 0.461 18547 14142 1 15 . 1 1 27 27 PRO HA H 17 4.180 4.180 4.218 -0.038 18547 14143 1 15 . 1 1 27 27 PRO C C 17 178.100 178.100 176.631 1.469 18547 14144 1 15 . 1 1 27 27 PRO CA C 17 67.200 67.200 65.477 1.723 18547 14145 1 15 . 1 1 27 27 PRO CB C 17 30.700 30.700 31.114 -0.414 18547 14146 1 15 . 1 1 28 28 ALA N N 18 114.800 114.800 118.818 -4.018 18547 14147 1 15 . 1 1 28 28 ALA HA H 18 4.270 4.270 4.444 -0.174 18547 14148 1 15 . 1 1 28 28 ALA C C 18 177.000 177.000 177.726 -0.726 18547 14149 1 15 . 1 1 28 28 ALA CA C 18 53.100 53.100 51.854 1.246 18547 14150 1 15 . 1 1 28 28 ALA CB C 18 19.500 19.500 19.296 0.204 18547 14151 1 15 . 1 1 28 28 ALA H H 18 8.060 8.060 8.153 -0.093 18547 14152 1 15 . 1 1 29 29 GLY N N 19 107.100 107.100 107.683 -0.583 18547 14153 1 15 . 1 1 29 29 GLY C C 19 171.900 171.900 172.333 -0.433 18547 14154 1 15 . 1 1 29 29 GLY CA C 19 44.000 44.000 44.329 -0.329 18547 14155 1 15 . 1 1 29 29 GLY H H 19 8.140 8.140 7.513 0.627 18547 14156 1 15 . 1 1 30 30 GLU N N 20 120.000 120.000 120.417 -0.417 18547 14157 1 15 . 1 1 30 30 GLU HA H 20 4.320 4.320 4.180 0.140 18547 14158 1 15 . 1 1 30 30 GLU C C 20 175.600 175.600 176.177 -0.577 18547 14159 1 15 . 1 1 30 30 GLU CA C 20 57.300 57.300 56.441 0.860 18547 14160 1 15 . 1 1 30 30 GLU CB C 20 29.100 29.100 29.312 -0.212 18547 14161 1 15 . 1 1 30 30 GLU H H 20 8.380 8.380 8.557 -0.177 18547 14162 1 15 . 1 1 31 31 ALA N N 21 129.500 129.500 127.815 1.685 18547 14163 1 15 . 1 1 31 31 ALA HA H 21 4.610 4.610 4.417 0.193 18547 14164 1 15 . 1 1 31 31 ALA C C 21 177.200 177.200 176.068 1.132 18547 14165 1 15 . 1 1 31 31 ALA CA C 21 51.200 51.200 51.747 -0.547 18547 14166 1 15 . 1 1 31 31 ALA CB C 21 22.500 22.500 21.065 1.435 18547 14167 1 15 . 1 1 31 31 ALA H H 21 8.660 8.660 8.014 0.646 18547 14168 1 15 . 1 1 32 32 ARG N N 22 120.400 120.400 118.664 1.736 18547 14169 1 15 . 1 1 32 32 ARG HA H 22 4.950 4.950 4.936 0.014 18547 14170 1 15 . 1 1 32 32 ARG C C 22 173.400 173.400 174.267 -0.867 18547 14171 1 15 . 1 1 32 32 ARG CA C 22 55.500 55.500 54.068 1.432 18547 14172 1 15 . 1 1 32 32 ARG CB C 22 32.500 32.500 34.293 -1.793 18547 14173 1 15 . 1 1 32 32 ARG H H 22 8.090 8.090 8.149 -0.059 18547 14174 1 15 . 1 1 33 33 SER N N 23 113.800 113.800 115.825 -2.025 18547 14175 1 15 . 1 1 33 33 SER HA H 23 5.560 5.560 5.446 0.114 18547 14176 1 15 . 1 1 33 33 SER C C 23 174.500 174.500 174.032 0.468 18547 14177 1 15 . 1 1 33 33 SER CA C 23 55.600 55.600 56.369 -0.769 18547 14178 1 15 . 1 1 33 33 SER CB C 23 67.300 67.300 66.359 0.941 18547 14179 1 15 . 1 1 33 33 SER H H 23 8.080 8.080 8.107 -0.027 18547 14180 1 15 . 1 1 34 34 ILE N N 24 112.700 112.700 117.120 -4.420 18547 14181 1 15 . 1 1 34 34 ILE HA H 24 4.950 4.950 4.729 0.221 18547 14182 1 15 . 1 1 34 34 ILE C C 24 175.400 175.400 174.393 1.007 18547 14183 1 15 . 1 1 34 34 ILE CA C 24 58.300 58.300 59.975 -1.675 18547 14184 1 15 . 1 1 34 34 ILE CB C 24 39.900 39.900 39.844 0.056 18547 14185 1 15 . 1 1 34 34 ILE H H 24 7.980 7.980 8.360 -0.380 18547 14186 1 15 . 1 1 35 35 ILE N N 25 121.800 121.800 123.873 -2.073 18547 14187 1 15 . 1 1 35 35 ILE HA H 25 4.960 4.960 4.653 0.307 18547 14188 1 15 . 1 1 35 35 ILE C C 25 174.800 174.800 174.633 0.167 18547 14189 1 15 . 1 1 35 35 ILE CA C 25 60.700 60.700 60.017 0.683 18547 14190 1 15 . 1 1 35 35 ILE CB C 25 41.300 41.300 40.729 0.571 18547 14191 1 15 . 1 1 35 35 ILE H H 25 8.960 8.960 8.217 0.743 18547 14192 1 15 . 1 1 36 36 ILE N N 26 127.900 127.900 127.884 0.016 18547 14193 1 15 . 1 1 36 36 ILE HA H 26 4.770 4.770 4.597 0.173 18547 14194 1 15 . 1 1 36 36 ILE C C 26 175.000 175.000 174.826 0.174 18547 14195 1 15 . 1 1 36 36 ILE CA C 26 59.900 59.900 60.398 -0.498 18547 14196 1 15 . 1 1 36 36 ILE CB C 26 42.100 42.100 38.783 3.317 18547 14197 1 15 . 1 1 36 36 ILE H H 26 9.210 9.210 8.881 0.329 18547 14198 1 15 . 1 1 37 37 ARG N N 27 124.100 124.100 127.989 -3.889 18547 14199 1 15 . 1 1 37 37 ARG HA H 27 5.850 5.850 4.815 1.035 18547 14200 1 15 . 1 1 37 37 ARG C C 27 176.200 176.200 175.203 0.997 18547 14201 1 15 . 1 1 37 37 ARG CA C 27 54.100 54.100 55.377 -1.278 18547 14202 1 15 . 1 1 37 37 ARG CB C 27 32.900 32.900 31.933 0.967 18547 14203 1 15 . 1 1 37 37 ARG H H 27 8.670 8.670 8.812 -0.142 18547 14204 1 15 . 1 1 38 38 GLN N N 28 122.900 122.900 122.109 0.791 18547 14205 1 15 . 1 1 38 38 GLN HA H 28 4.710 4.710 5.673 -0.963 18547 14206 1 15 . 1 1 38 38 GLN C C 28 173.200 173.200 174.612 -1.412 18547 14207 1 15 . 1 1 38 38 GLN CA C 28 54.400 54.400 54.639 -0.239 18547 14208 1 15 . 1 1 38 38 GLN CB C 28 35.200 35.200 34.172 1.028 18547 14209 1 15 . 1 1 38 38 GLN H H 28 9.310 9.310 9.015 0.295 18547 14210 1 15 . 1 1 39 39 ARG N N 29 121.400 121.400 123.099 -1.699 18547 14211 1 15 . 1 1 39 39 ARG HA H 29 5.260 5.260 5.217 0.043 18547 14212 1 15 . 1 1 39 39 ARG C C 29 175.400 175.400 175.725 -0.325 18547 14213 1 15 . 1 1 39 39 ARG CA C 29 55.100 55.100 55.027 0.073 18547 14214 1 15 . 1 1 39 39 ARG CB C 29 32.500 32.500 31.712 0.788 18547 14215 1 15 . 1 1 39 39 ARG H H 29 8.510 8.510 8.091 0.419 18547 14216 1 15 . 1 1 40 40 TYR N N 30 120.000 120.000 124.821 -4.821 18547 14217 1 15 . 1 1 40 40 TYR HA H 30 4.600 4.600 4.523 0.077 18547 14218 1 15 . 1 1 40 40 TYR C C 30 175.600 175.600 175.954 -0.354 18547 14219 1 15 . 1 1 40 40 TYR CA C 30 56.900 56.900 57.627 -0.727 18547 14220 1 15 . 1 1 40 40 TYR CB C 30 42.700 42.700 40.069 2.631 18547 14221 1 15 . 1 1 40 40 TYR H H 30 9.140 9.140 9.103 0.037 18547 14222 1 15 . 1 1 41 41 ASP N N 31 126.400 126.400 123.629 2.771 18547 14223 1 15 . 1 1 41 41 ASP HA H 31 4.880 4.880 4.574 0.306 18547 14224 1 15 . 1 1 41 41 ASP C C 31 174.500 174.500 174.949 -0.449 18547 14225 1 15 . 1 1 41 41 ASP CA C 31 53.200 53.200 54.573 -1.373 18547 14226 1 15 . 1 1 41 41 ASP CB C 31 39.200 39.200 39.659 -0.459 18547 14227 1 15 . 1 1 41 41 ASP H H 31 9.140 9.140 8.815 0.325 18547 14228 1 15 . 1 1 42 42 ALA N N 32 123.100 123.100 121.205 1.895 18547 14229 1 15 . 1 1 42 42 ALA HA H 32 4.690 4.690 4.729 -0.039 18547 14230 1 15 . 1 1 42 42 ALA CA C 32 50.100 50.100 49.488 0.612 18547 14231 1 15 . 1 1 42 42 ALA CB C 32 20.200 20.200 20.337 -0.137 18547 14232 1 15 . 1 1 42 42 ALA H H 32 7.770 7.770 7.552 0.218 18547 14233 1 15 . 1 1 43 43 PRO HA H 33 4.650 4.650 4.549 0.101 18547 14234 1 15 . 1 1 43 43 PRO C C 33 178.100 178.100 177.491 0.609 18547 14235 1 15 . 1 1 43 43 PRO CA C 33 62.000 62.000 62.483 -0.483 18547 14236 1 15 . 1 1 43 43 PRO CB C 33 33.000 33.000 32.936 0.064 18547 14237 1 15 . 1 1 44 44 VAL N N 34 123.500 123.500 119.173 4.327 18547 14238 1 15 . 1 1 44 44 VAL HA H 34 3.960 3.960 3.712 0.248 18547 14239 1 15 . 1 1 44 44 VAL C C 34 177.500 177.500 177.679 -0.179 18547 14240 1 15 . 1 1 44 44 VAL CA C 34 66.000 66.000 66.246 -0.245 18547 14241 1 15 . 1 1 44 44 VAL CB C 34 32.000 32.000 31.402 0.598 18547 14242 1 15 . 1 1 44 44 VAL H H 34 8.570 8.570 8.653 -0.083 18547 14243 1 15 . 1 1 45 45 ASP N N 35 116.200 116.200 118.886 -2.686 18547 14244 1 15 . 1 1 45 45 ASP HA H 35 4.290 4.290 4.267 0.023 18547 14245 1 15 . 1 1 45 45 ASP C C 35 178.800 178.800 178.244 0.556 18547 14246 1 15 . 1 1 45 45 ASP CA C 35 57.500 57.500 57.299 0.201 18547 14247 1 15 . 1 1 45 45 ASP CB C 35 40.400 40.400 39.614 0.786 18547 14248 1 15 . 1 1 45 45 ASP H H 35 8.520 8.520 8.728 -0.208 18547 14249 1 15 . 1 1 46 46 GLU N N 36 120.100 120.100 121.514 -1.414 18547 14250 1 15 . 1 1 46 46 GLU HA H 36 4.260 4.260 4.139 0.121 18547 14251 1 15 . 1 1 46 46 GLU C C 36 179.000 179.000 178.532 0.468 18547 14252 1 15 . 1 1 46 46 GLU CA C 36 58.400 58.400 59.224 -0.824 18547 14253 1 15 . 1 1 46 46 GLU CB C 36 29.700 29.700 29.249 0.451 18547 14254 1 15 . 1 1 46 46 GLU H H 36 7.360 7.360 8.074 -0.714 18547 14255 1 15 . 1 1 47 47 VAL N N 37 121.800 121.800 120.059 1.741 18547 14256 1 15 . 1 1 47 47 VAL HA H 37 3.370 3.370 3.582 -0.212 18547 14257 1 15 . 1 1 47 47 VAL C C 37 177.100 177.100 177.680 -0.580 18547 14258 1 15 . 1 1 47 47 VAL CA C 37 66.900 66.900 67.020 -0.120 18547 14259 1 15 . 1 1 47 47 VAL CB C 37 31.000 31.000 31.274 -0.274 18547 14260 1 15 . 1 1 47 47 VAL H H 37 7.680 7.680 7.724 -0.044 18547 14261 1 15 . 1 1 48 48 TRP N N 38 119.800 119.800 120.960 -1.160 18547 14262 1 15 . 1 1 48 48 TRP HA H 38 3.990 3.990 4.166 -0.176 18547 14263 1 15 . 1 1 48 48 TRP C C 38 180.700 180.700 178.476 2.224 18547 14264 1 15 . 1 1 48 48 TRP CA C 38 60.900 60.900 60.875 0.025 18547 14265 1 15 . 1 1 48 48 TRP CB C 38 29.300 29.300 29.169 0.131 18547 14266 1 15 . 1 1 48 48 TRP H H 38 9.160 9.160 8.282 0.878 18547 14267 1 15 . 1 1 49 49 SER N N 39 116.100 116.100 115.764 0.336 18547 14268 1 15 . 1 1 49 49 SER HA H 39 4.010 4.010 4.268 -0.258 18547 14269 1 15 . 1 1 49 49 SER C C 39 175.700 175.700 176.742 -1.042 18547 14270 1 15 . 1 1 49 49 SER CA C 39 62.700 62.700 61.916 0.784 18547 14271 1 15 . 1 1 49 49 SER CB C 39 62.700 62.700 62.963 -0.263 18547 14272 1 15 . 1 1 49 49 SER H H 39 8.230 8.230 7.999 0.231 18547 14273 1 15 . 1 1 50 50 ALA N N 40 122.300 122.300 124.130 -1.830 18547 14274 1 15 . 1 1 50 50 ALA HA H 40 4.020 4.020 4.258 -0.238 18547 14275 1 15 . 1 1 50 50 ALA C C 40 176.700 176.700 179.219 -2.519 18547 14276 1 15 . 1 1 50 50 ALA CA C 40 55.200 55.200 55.240 -0.040 18547 14277 1 15 . 1 1 50 50 ALA CB C 40 18.800 18.800 18.308 0.492 18547 14278 1 15 . 1 1 50 50 ALA H H 40 7.770 7.770 7.825 -0.055 18547 14279 1 15 . 1 1 51 51 CYS N N 41 109.400 109.400 114.606 -5.206 18547 14280 1 15 . 1 1 51 51 CYS HA H 41 4.510 4.510 4.451 0.059 18547 14281 1 15 . 1 1 51 51 CYS C C 41 172.200 172.200 176.451 -4.251 18547 14282 1 15 . 1 1 51 51 CYS CA C 41 61.100 61.100 61.780 -0.680 18547 14283 1 15 . 1 1 51 51 CYS CB C 41 29.800 29.800 26.921 2.879 18547 14284 1 15 . 1 1 51 51 CYS H H 41 7.080 7.080 7.944 -0.864 18547 14285 1 15 . 1 1 52 52 THR N N 42 100.100 100.100 111.234 -11.134 18547 14286 1 15 . 1 1 52 52 THR HA H 42 4.240 4.240 4.190 0.050 18547 14287 1 15 . 1 1 52 52 THR C C 42 173.500 173.500 174.886 -1.386 18547 14288 1 15 . 1 1 52 52 THR CA C 42 62.200 62.200 62.896 -0.696 18547 14289 1 15 . 1 1 52 52 THR CB C 42 71.800 71.800 69.789 2.011 18547 14290 1 15 . 1 1 52 52 THR H H 42 6.800 6.800 7.534 -0.734 18547 14291 1 15 . 1 1 53 53 ASP N N 43 123.000 123.000 124.057 -1.057 18547 14292 1 15 . 1 1 53 53 ASP HA H 43 5.080 5.080 4.806 0.274 18547 14293 1 15 . 1 1 53 53 ASP CA C 43 50.600 50.600 52.303 -1.703 18547 14294 1 15 . 1 1 53 53 ASP CB C 43 42.000 42.000 42.594 -0.594 18547 14295 1 15 . 1 1 53 53 ASP H H 43 8.040 8.040 7.874 0.166 18547 14296 1 15 . 1 1 54 54 PRO HA H 44 3.960 3.960 4.173 -0.213 18547 14297 1 15 . 1 1 54 54 PRO C C 44 176.300 176.300 178.261 -1.961 18547 14298 1 15 . 1 1 54 54 PRO CA C 44 65.900 65.900 65.232 0.668 18547 14299 1 15 . 1 1 54 54 PRO CB C 44 32.700 32.700 32.072 0.629 18547 14300 1 15 . 1 1 55 55 ASN N N 45 112.700 112.700 117.204 -4.504 18547 14301 1 15 . 1 1 55 55 ASN HA H 45 4.520 4.520 4.444 0.076 18547 14302 1 15 . 1 1 55 55 ASN C C 45 175.900 175.900 177.206 -1.306 18547 14303 1 15 . 1 1 55 55 ASN CA C 45 55.100 55.100 56.024 -0.924 18547 14304 1 15 . 1 1 55 55 ASN CB C 45 38.900 38.900 38.909 -0.009 18547 14305 1 15 . 1 1 55 55 ASN H H 45 8.160 8.160 7.965 0.195 18547 14306 1 15 . 1 1 56 56 ARG N N 46 117.700 117.700 119.250 -1.550 18547 14307 1 15 . 1 1 56 56 ARG HA H 46 4.250 4.250 4.092 0.158 18547 14308 1 15 . 1 1 56 56 ARG C C 46 177.100 177.100 179.449 -2.349 18547 14309 1 15 . 1 1 56 56 ARG CA C 46 58.400 58.400 58.871 -0.471 18547 14310 1 15 . 1 1 56 56 ARG CB C 46 31.800 31.800 30.382 1.418 18547 14311 1 15 . 1 1 56 56 ARG H H 46 7.940 7.940 7.946 -0.006 18547 14312 1 15 . 1 1 57 57 ILE N N 47 120.100 120.100 121.353 -1.253 18547 14313 1 15 . 1 1 57 57 ILE HA H 47 3.420 3.420 3.442 -0.022 18547 14314 1 15 . 1 1 57 57 ILE C C 47 177.400 177.400 177.530 -0.130 18547 14315 1 15 . 1 1 57 57 ILE CA C 47 64.400 64.400 65.093 -0.693 18547 14316 1 15 . 1 1 57 57 ILE CB C 47 39.500 39.500 37.607 1.893 18547 14317 1 15 . 1 1 57 57 ILE H H 47 8.610 8.610 8.166 0.444 18547 14318 1 15 . 1 1 58 58 ASN N N 48 112.100 112.100 117.811 -5.711 18547 14319 1 15 . 1 1 58 58 ASN HA H 48 3.780 3.780 4.529 -0.749 18547 14320 1 15 . 1 1 58 58 ASN C C 48 175.300 175.300 177.474 -2.174 18547 14321 1 15 . 1 1 58 58 ASN CA C 48 54.400 54.400 55.324 -0.924 18547 14322 1 15 . 1 1 58 58 ASN CB C 48 38.200 38.200 37.880 0.320 18547 14323 1 15 . 1 1 58 58 ASN H H 48 7.440 7.440 7.923 -0.483 18547 14324 1 15 . 1 1 59 59 ARG N N 49 115.600 115.600 118.032 -2.432 18547 14325 1 15 . 1 1 59 59 ARG HA H 49 4.120 4.120 4.116 0.004 18547 14326 1 15 . 1 1 59 59 ARG C C 49 174.700 174.700 175.747 -1.047 18547 14327 1 15 . 1 1 59 59 ARG CA C 49 55.900 55.900 57.427 -1.527 18547 14328 1 15 . 1 1 59 59 ARG CB C 49 29.900 29.900 29.560 0.340 18547 14329 1 15 . 1 1 59 59 ARG H H 49 7.370 7.370 7.530 -0.160 18547 14330 1 15 . 1 1 60 60 TRP N N 50 112.500 112.500 114.195 -1.695 18547 14331 1 15 . 1 1 60 60 TRP HA H 50 4.860 4.860 4.795 0.065 18547 14332 1 15 . 1 1 60 60 TRP C C 50 173.400 173.400 173.651 -0.251 18547 14333 1 15 . 1 1 60 60 TRP CA C 50 55.800 55.800 55.965 -0.165 18547 14334 1 15 . 1 1 60 60 TRP CB C 50 31.500 31.500 30.960 0.540 18547 14335 1 15 . 1 1 60 60 TRP H H 50 6.860 6.860 7.656 -0.796 18547 14336 1 15 . 1 1 61 61 PHE N N 51 126.400 126.400 117.942 8.458 18547 14337 1 15 . 1 1 61 61 PHE HA H 51 4.690 4.690 4.482 0.208 18547 14338 1 15 . 1 1 61 61 PHE C C 51 173.000 173.000 173.394 -0.394 18547 14339 1 15 . 1 1 61 61 PHE CA C 51 55.000 55.000 56.277 -1.277 18547 14340 1 15 . 1 1 61 61 PHE CB C 51 37.600 37.600 40.581 -2.981 18547 14341 1 15 . 1 1 61 61 PHE H H 51 7.830 7.830 7.051 0.779 18547 14342 1 15 . 1 1 62 62 ILE N N 52 126.800 126.800 121.876 4.924 18547 14343 1 15 . 1 1 62 62 ILE HA H 52 3.760 3.760 3.978 -0.218 18547 14344 1 15 . 1 1 62 62 ILE C C 52 172.600 172.600 174.868 -2.268 18547 14345 1 15 . 1 1 62 62 ILE CA C 52 59.900 59.900 60.231 -0.331 18547 14346 1 15 . 1 1 62 62 ILE CB C 52 41.600 41.600 38.398 3.202 18547 14347 1 15 . 1 1 62 62 ILE H H 52 6.010 6.010 6.810 -0.800 18547 14348 1 15 . 1 1 63 63 GLU N N 53 124.400 124.400 126.686 -2.286 18547 14349 1 15 . 1 1 63 63 GLU HA H 53 3.850 3.850 4.476 -0.626 18547 14350 1 15 . 1 1 63 63 GLU CA C 53 54.800 54.800 54.421 0.379 18547 14351 1 15 . 1 1 63 63 GLU CB C 53 31.700 31.700 29.992 1.708 18547 14352 1 15 . 1 1 63 63 GLU H H 53 8.280 8.280 8.375 -0.095 18547 14353 1 15 . 1 1 64 64 PRO HA H 54 4.920 4.920 4.821 0.099 18547 14354 1 15 . 1 1 64 64 PRO C C 54 175.500 175.500 175.718 -0.218 18547 14355 1 15 . 1 1 64 64 PRO CA C 54 62.000 62.000 61.744 0.256 18547 14356 1 15 . 1 1 64 64 PRO CB C 54 31.800 31.800 33.758 -1.958 18547 14357 1 15 . 1 1 65 65 LYS N N 55 120.200 120.200 115.513 4.687 18547 14358 1 15 . 1 1 65 65 LYS HA H 55 4.780 4.780 4.561 0.219 18547 14359 1 15 . 1 1 65 65 LYS C C 55 176.000 176.000 174.639 1.361 18547 14360 1 15 . 1 1 65 65 LYS CA C 55 54.200 54.200 55.188 -0.988 18547 14361 1 15 . 1 1 65 65 LYS CB C 55 35.300 35.300 35.575 -0.275 18547 14362 1 15 . 1 1 65 65 LYS H H 55 8.370 8.370 8.472 -0.102 18547 14363 1 15 . 1 1 66 66 GLY N N 56 109.400 109.400 108.894 0.506 18547 14364 1 15 . 1 1 66 66 GLY C C 56 171.400 171.400 173.298 -1.898 18547 14365 1 15 . 1 1 66 66 GLY CA C 56 45.400 45.400 44.931 0.469 18547 14366 1 15 . 1 1 66 66 GLY H H 56 8.640 8.640 7.915 0.725 18547 14367 1 15 . 1 1 67 67 ASP N N 57 123.800 123.800 120.691 3.109 18547 14368 1 15 . 1 1 67 67 ASP HA H 57 4.900 4.900 4.699 0.201 18547 14369 1 15 . 1 1 67 67 ASP C C 57 175.600 175.600 177.238 -1.638 18547 14370 1 15 . 1 1 67 67 ASP CA C 57 52.400 52.400 54.391 -1.991 18547 14371 1 15 . 1 1 67 67 ASP CB C 57 40.700 40.700 41.796 -1.096 18547 14372 1 15 . 1 1 67 67 ASP H H 57 7.790 7.790 8.545 -0.755 18547 14373 1 15 . 1 1 68 68 LEU N N 58 122.800 122.800 114.836 7.964 18547 14374 1 15 . 1 1 68 68 LEU HA H 58 4.270 4.270 4.042 0.228 18547 14375 1 15 . 1 1 68 68 LEU C C 58 173.700 173.700 176.564 -2.864 18547 14376 1 15 . 1 1 68 68 LEU CA C 58 54.500 54.500 55.957 -1.457 18547 14377 1 15 . 1 1 68 68 LEU CB C 58 38.300 38.300 40.348 -2.048 18547 14378 1 15 . 1 1 68 68 LEU H H 58 8.330 8.330 7.970 0.360 18547 14379 1 15 . 1 1 69 69 ARG N N 59 121.800 121.800 118.315 3.485 18547 14380 1 15 . 1 1 69 69 ARG HA H 59 4.710 4.710 4.584 0.126 18547 14381 1 15 . 1 1 69 69 ARG CA C 59 54.100 54.100 53.589 0.511 18547 14382 1 15 . 1 1 69 69 ARG CB C 59 31.800 31.800 31.218 0.582 18547 14383 1 15 . 1 1 69 69 ARG H H 59 8.120 8.120 7.430 0.690 18547 14384 1 15 . 1 1 70 70 GLU N N 60 122.800 122.800 121.238 1.562 18547 14385 1 15 . 1 1 70 70 GLU HA H 60 3.870 3.870 4.133 -0.263 18547 14386 1 15 . 1 1 70 70 GLU C C 60 177.200 177.200 177.169 0.031 18547 14387 1 15 . 1 1 70 70 GLU CA C 60 60.000 60.000 57.533 2.467 18547 14388 1 15 . 1 1 70 70 GLU CB C 60 30.200 30.200 28.131 2.069 18547 14389 1 15 . 1 1 70 70 GLU H H 60 9.130 9.130 8.569 0.561 18547 14390 1 15 . 1 1 71 71 GLY N N 61 117.100 117.100 113.950 3.150 18547 14391 1 15 . 1 1 71 71 GLY C C 61 174.900 174.900 174.521 0.379 18547 14392 1 15 . 1 1 71 71 GLY CA C 61 45.600 45.600 44.760 0.840 18547 14393 1 15 . 1 1 71 71 GLY H H 61 8.710 8.710 8.298 0.412 18547 14394 1 15 . 1 1 72 72 GLY N N 62 110.300 110.300 110.039 0.261 18547 14395 1 15 . 1 1 72 72 GLY C C 62 174.200 174.200 172.558 1.642 18547 14396 1 15 . 1 1 72 72 GLY CA C 62 43.400 43.400 44.373 -0.973 18547 14397 1 15 . 1 1 72 72 GLY H H 62 8.760 8.760 7.897 0.863 18547 14398 1 15 . 1 1 73 73 ASN N N 63 117.800 117.800 116.123 1.677 18547 14399 1 15 . 1 1 73 73 ASN HA H 63 5.490 5.490 4.850 0.640 18547 14400 1 15 . 1 1 73 73 ASN C C 63 171.400 171.400 173.714 -2.314 18547 14401 1 15 . 1 1 73 73 ASN CA C 63 52.900 52.900 51.609 1.291 18547 14402 1 15 . 1 1 73 73 ASN CB C 63 41.500 41.500 41.023 0.477 18547 14403 1 15 . 1 1 73 73 ASN H H 63 8.890 8.890 8.342 0.548 18547 14404 1 15 . 1 1 74 74 PHE N N 64 113.500 113.500 115.689 -2.189 18547 14405 1 15 . 1 1 74 74 PHE HA H 64 5.500 5.500 5.727 -0.227 18547 14406 1 15 . 1 1 74 74 PHE C C 64 173.200 173.200 173.850 -0.650 18547 14407 1 15 . 1 1 74 74 PHE CA C 64 55.900 55.900 55.004 0.896 18547 14408 1 15 . 1 1 74 74 PHE CB C 64 44.600 44.600 42.911 1.689 18547 14409 1 15 . 1 1 74 74 PHE H H 64 8.700 8.700 8.022 0.678 18547 14410 1 15 . 1 1 75 75 ALA N N 65 122.200 122.200 122.375 -0.175 18547 14411 1 15 . 1 1 75 75 ALA HA H 65 4.350 4.350 4.387 -0.037 18547 14412 1 15 . 1 1 75 75 ALA C C 65 176.000 176.000 175.619 0.381 18547 14413 1 15 . 1 1 75 75 ALA CA C 65 52.500 52.500 51.715 0.785 18547 14414 1 15 . 1 1 75 75 ALA CB C 65 21.800 21.800 20.914 0.886 18547 14415 1 15 . 1 1 75 75 ALA H H 65 8.690 8.690 8.234 0.456 18547 14416 1 15 . 1 1 76 76 LEU N N 66 123.800 123.800 123.241 0.559 18547 14417 1 15 . 1 1 76 76 LEU HA H 66 4.520 4.520 4.136 0.384 18547 14418 1 15 . 1 1 76 76 LEU C C 66 175.800 175.800 177.061 -1.261 18547 14419 1 15 . 1 1 76 76 LEU CA C 66 52.500 52.500 54.618 -2.119 18547 14420 1 15 . 1 1 76 76 LEU CB C 66 42.400 42.400 42.474 -0.074 18547 14421 1 15 . 1 1 76 76 LEU H H 66 8.350 8.350 8.184 0.166 18547 14422 1 15 . 1 1 77 77 GLN N N 67 127.400 127.400 121.032 6.368 18547 14423 1 15 . 1 1 77 77 GLN HA H 67 3.900 3.900 4.189 -0.289 18547 14424 1 15 . 1 1 77 77 GLN C C 67 176.600 176.600 176.750 -0.150 18547 14425 1 15 . 1 1 77 77 GLN CA C 67 57.800 57.800 55.835 1.965 18547 14426 1 15 . 1 1 77 77 GLN CB C 67 28.000 28.000 28.604 -0.604 18547 14427 1 15 . 1 1 77 77 GLN H H 67 8.590 8.590 7.967 0.623 18547 14428 1 15 . 1 1 78 78 GLY N N 68 114.800 114.800 115.523 -0.723 18547 14429 1 15 . 1 1 78 78 GLY C C 68 173.700 173.700 173.720 -0.020 18547 14430 1 15 . 1 1 78 78 GLY CA C 68 45.700 45.700 45.778 -0.078 18547 14431 1 15 . 1 1 78 78 GLY H H 68 8.920 8.920 8.808 0.112 18547 14432 1 15 . 1 1 79 79 ASN N N 69 124.000 124.000 117.742 6.258 18547 14433 1 15 . 1 1 79 79 ASN HA H 69 4.600 4.600 4.653 -0.053 18547 14434 1 15 . 1 1 79 79 ASN C C 69 173.300 173.300 172.907 0.393 18547 14435 1 15 . 1 1 79 79 ASN CA C 69 52.900 52.900 53.510 -0.610 18547 14436 1 15 . 1 1 79 79 ASN CB C 69 41.600 41.600 39.674 1.926 18547 14437 1 15 . 1 1 79 79 ASN H H 69 8.360 8.360 8.274 0.086 18547 14438 1 15 . 1 1 80 80 ALA N N 70 127.200 127.200 119.931 7.269 18547 14439 1 15 . 1 1 80 80 ALA HA H 70 4.170 4.170 4.337 -0.167 18547 14440 1 15 . 1 1 80 80 ALA C C 70 174.500 174.500 174.586 -0.086 18547 14441 1 15 . 1 1 80 80 ALA CA C 70 52.500 52.500 50.865 1.635 18547 14442 1 15 . 1 1 80 80 ALA CB C 70 18.600 18.600 21.563 -2.963 18547 14443 1 15 . 1 1 80 80 ALA H H 70 8.930 8.930 7.768 1.162 18547 14444 1 15 . 1 1 81 81 SER N N 71 111.000 111.000 113.326 -2.326 18547 14445 1 15 . 1 1 81 81 SER HA H 71 4.170 4.170 4.441 -0.271 18547 14446 1 15 . 1 1 81 81 SER C C 71 170.900 170.900 172.879 -1.979 18547 14447 1 15 . 1 1 81 81 SER CA C 71 56.300 56.300 55.721 0.579 18547 14448 1 15 . 1 1 81 81 SER CB C 71 66.600 66.600 65.220 1.380 18547 14449 1 15 . 1 1 81 81 SER H H 71 7.980 7.980 8.085 -0.105 18547 14450 1 15 . 1 1 82 82 GLY N N 72 102.700 102.700 108.661 -5.961 18547 14451 1 15 . 1 1 82 82 GLY C C 72 171.700 171.700 171.427 0.273 18547 14452 1 15 . 1 1 82 82 GLY CA C 72 46.200 46.200 44.953 1.248 18547 14453 1 15 . 1 1 82 82 GLY H H 72 6.940 6.940 8.033 -1.093 18547 14454 1 15 . 1 1 83 83 ASP N N 73 117.900 117.900 118.578 -0.678 18547 14455 1 15 . 1 1 83 83 ASP HA H 73 5.430 5.430 4.992 0.438 18547 14456 1 15 . 1 1 83 83 ASP C C 73 176.100 176.100 175.064 1.036 18547 14457 1 15 . 1 1 83 83 ASP CA C 73 52.700 52.700 53.851 -1.151 18547 14458 1 15 . 1 1 83 83 ASP CB C 73 43.600 43.600 45.668 -2.068 18547 14459 1 15 . 1 1 83 83 ASP H H 73 8.770 8.770 8.000 0.770 18547 14460 1 15 . 1 1 84 84 ILE N N 74 120.200 120.200 122.216 -2.016 18547 14461 1 15 . 1 1 84 84 ILE HA H 74 4.530 4.530 4.324 0.206 18547 14462 1 15 . 1 1 84 84 ILE C C 74 175.600 175.600 176.572 -0.972 18547 14463 1 15 . 1 1 84 84 ILE CA C 74 61.700 61.700 60.618 1.082 18547 14464 1 15 . 1 1 84 84 ILE CB C 74 36.700 36.700 36.768 -0.068 18547 14465 1 15 . 1 1 84 84 ILE H H 74 8.060 8.060 8.375 -0.315 18547 14466 1 15 . 1 1 85 85 LEU N N 75 130.400 130.400 128.367 2.033 18547 14467 1 15 . 1 1 85 85 LEU HA H 75 4.330 4.330 4.250 0.080 18547 14468 1 15 . 1 1 85 85 LEU C C 75 178.100 178.100 177.337 0.763 18547 14469 1 15 . 1 1 85 85 LEU CA C 75 57.000 57.000 57.151 -0.151 18547 14470 1 15 . 1 1 85 85 LEU CB C 75 42.000 42.000 42.413 -0.412 18547 14471 1 15 . 1 1 85 85 LEU H H 75 8.710 8.710 8.259 0.451 18547 14472 1 15 . 1 1 86 86 ARG N N 76 115.700 115.700 117.835 -2.135 18547 14473 1 15 . 1 1 86 86 ARG HA H 76 4.840 4.840 4.990 -0.150 18547 14474 1 15 . 1 1 86 86 ARG C C 76 174.900 174.900 173.869 1.031 18547 14475 1 15 . 1 1 86 86 ARG CA C 76 54.700 54.700 55.484 -0.784 18547 14476 1 15 . 1 1 86 86 ARG CB C 76 33.900 33.900 33.033 0.867 18547 14477 1 15 . 1 1 86 86 ARG H H 76 8.130 8.130 8.120 0.010 18547 14478 1 15 . 1 1 87 87 CYS N N 77 127.100 127.100 124.634 2.466 18547 14479 1 15 . 1 1 87 87 CYS HA H 77 5.130 5.130 4.935 0.195 18547 14480 1 15 . 1 1 87 87 CYS C C 77 171.700 171.700 174.769 -3.069 18547 14481 1 15 . 1 1 87 87 CYS CA C 77 54.600 54.600 57.079 -2.479 18547 14482 1 15 . 1 1 87 87 CYS CB C 77 33.000 33.000 28.126 4.874 18547 14483 1 15 . 1 1 87 87 CYS H H 77 10.630 10.630 9.032 1.598 18547 14484 1 15 . 1 1 88 88 GLU N N 78 128.200 128.200 126.319 1.881 18547 14485 1 15 . 1 1 88 88 GLU HA H 78 4.950 4.950 4.902 0.048 18547 14486 1 15 . 1 1 88 88 GLU CA C 78 52.100 52.100 52.268 -0.168 18547 14487 1 15 . 1 1 88 88 GLU CB C 78 30.500 30.500 31.726 -1.226 18547 14488 1 15 . 1 1 88 88 GLU H H 78 9.460 9.460 8.847 0.613 18547 14489 1 15 . 1 1 89 89 PRO HA H 79 2.780 2.780 3.307 -0.527 18547 14490 1 15 . 1 1 89 89 PRO CA C 79 60.500 60.500 61.034 -0.534 18547 14491 1 15 . 1 1 89 89 PRO CB C 79 31.600 31.600 30.950 0.650 18547 14492 1 15 . 1 1 90 90 PRO HA H 80 2.250 2.250 3.568 -1.318 18547 14493 1 15 . 1 1 90 90 PRO C C 80 171.400 171.400 176.382 -4.982 18547 14494 1 15 . 1 1 90 90 PRO CA C 80 63.700 63.700 61.964 1.736 18547 14495 1 15 . 1 1 90 90 PRO CB C 80 30.500 30.500 32.250 -1.750 18547 14496 1 15 . 1 1 91 91 ARG N N 81 113.700 113.700 119.883 -6.183 18547 14497 1 15 . 1 1 91 91 ARG HA H 81 4.700 4.700 4.160 0.540 18547 14498 1 15 . 1 1 91 91 ARG C C 81 176.500 176.500 175.392 1.108 18547 14499 1 15 . 1 1 91 91 ARG CA C 81 57.400 57.400 58.653 -1.253 18547 14500 1 15 . 1 1 91 91 ARG CB C 81 34.200 34.200 31.419 2.781 18547 14501 1 15 . 1 1 91 91 ARG H H 81 7.640 7.640 7.556 0.083 18547 14502 1 15 . 1 1 92 92 ARG N N 82 121.000 121.000 113.428 7.572 18547 14503 1 15 . 1 1 92 92 ARG HA H 82 5.700 5.700 5.371 0.329 18547 14504 1 15 . 1 1 92 92 ARG C C 82 172.700 172.700 174.531 -1.831 18547 14505 1 15 . 1 1 92 92 ARG CA C 82 55.900 55.900 54.528 1.372 18547 14506 1 15 . 1 1 92 92 ARG CB C 82 34.100 34.100 33.269 0.831 18547 14507 1 15 . 1 1 92 92 ARG H H 82 7.710 7.710 7.864 -0.154 18547 14508 1 15 . 1 1 93 93 LEU N N 83 130.800 130.800 117.716 13.084 18547 14509 1 15 . 1 1 93 93 LEU HA H 83 5.250 5.250 5.566 -0.316 18547 14510 1 15 . 1 1 93 93 LEU C C 83 174.000 174.000 175.386 -1.386 18547 14511 1 15 . 1 1 93 93 LEU CA C 83 53.700 53.700 53.593 0.107 18547 14512 1 15 . 1 1 93 93 LEU CB C 83 47.100 47.100 44.831 2.269 18547 14513 1 15 . 1 1 93 93 LEU H H 83 9.080 9.080 8.955 0.125 18547 14514 1 15 . 1 1 94 94 THR N N 84 124.200 124.200 120.101 4.099 18547 14515 1 15 . 1 1 94 94 THR HA H 84 5.340 5.340 5.420 -0.080 18547 14516 1 15 . 1 1 94 94 THR C C 84 174.100 174.100 174.452 -0.352 18547 14517 1 15 . 1 1 94 94 THR CA C 84 62.700 62.700 62.048 0.652 18547 14518 1 15 . 1 1 94 94 THR CB C 84 69.600 69.600 70.023 -0.423 18547 14519 1 15 . 1 1 94 94 THR H H 84 9.310 9.310 8.737 0.573 18547 14520 1 15 . 1 1 95 95 ILE N N 85 121.600 121.600 120.926 0.674 18547 14521 1 15 . 1 1 95 95 ILE HA H 85 5.630 5.630 5.164 0.466 18547 14522 1 15 . 1 1 95 95 ILE C C 85 175.000 175.000 173.830 1.170 18547 14523 1 15 . 1 1 95 95 ILE CA C 85 59.300 59.300 58.773 0.527 18547 14524 1 15 . 1 1 95 95 ILE CB C 85 40.900 40.900 42.498 -1.598 18547 14525 1 15 . 1 1 95 95 ILE H H 85 9.700 9.700 8.950 0.750 18547 14526 1 15 . 1 1 96 96 SER N N 86 117.900 117.900 115.464 2.436 18547 14527 1 15 . 1 1 96 96 SER HA H 86 5.270 5.270 5.100 0.170 18547 14528 1 15 . 1 1 96 96 SER C C 86 172.200 172.200 173.283 -1.083 18547 14529 1 15 . 1 1 96 96 SER CA C 86 57.600 57.600 57.225 0.375 18547 14530 1 15 . 1 1 96 96 SER CB C 86 65.700 65.700 65.771 -0.071 18547 14531 1 15 . 1 1 96 96 SER H H 86 9.290 9.290 8.879 0.411 18547 14532 1 15 . 1 1 97 97 TRP N N 87 120.000 120.000 128.107 -8.107 18547 14533 1 15 . 1 1 97 97 TRP HA H 87 5.130 5.130 5.162 -0.032 18547 14534 1 15 . 1 1 97 97 TRP C C 87 175.500 175.500 174.389 1.111 18547 14535 1 15 . 1 1 97 97 TRP CA C 87 57.900 57.900 56.617 1.283 18547 14536 1 15 . 1 1 97 97 TRP CB C 87 31.500 31.500 31.870 -0.371 18547 14537 1 15 . 1 1 97 97 TRP H H 87 7.790 7.790 8.546 -0.756 18547 14538 1 15 . 1 1 98 98 VAL N N 88 132.200 132.200 129.783 2.417 18547 14539 1 15 . 1 1 98 98 VAL HA H 88 4.460 4.460 4.503 -0.043 18547 14540 1 15 . 1 1 98 98 VAL C C 88 175.100 175.100 174.571 0.529 18547 14541 1 15 . 1 1 98 98 VAL CA C 88 62.000 62.000 61.461 0.539 18547 14542 1 15 . 1 1 98 98 VAL CB C 88 32.500 32.500 31.637 0.863 18547 14543 1 15 . 1 1 98 98 VAL H H 88 9.620 9.620 8.470 1.150 18547 14544 1 15 . 1 1 99 99 TYR N N 89 130.300 130.300 129.008 1.292 18547 14545 1 15 . 1 1 99 99 TYR HA H 89 4.440 4.440 4.575 -0.135 18547 14546 1 15 . 1 1 99 99 TYR C C 89 173.900 173.900 175.180 -1.280 18547 14547 1 15 . 1 1 99 99 TYR CA C 89 56.800 56.800 57.106 -0.306 18547 14548 1 15 . 1 1 99 99 TYR CB C 89 42.100 42.100 40.954 1.146 18547 14549 1 15 . 1 1 99 99 TYR H H 89 9.670 9.670 8.586 1.084 18547 14550 1 15 . 1 1 100 100 GLU N N 90 127.100 127.100 123.804 3.296 18547 14551 1 15 . 1 1 100 100 GLU HA H 90 3.940 3.940 4.040 -0.100 18547 14552 1 15 . 1 1 100 100 GLU C C 90 176.700 176.700 176.955 -0.255 18547 14553 1 15 . 1 1 100 100 GLU CA C 90 58.300 58.300 57.973 0.327 18547 14554 1 15 . 1 1 100 100 GLU CB C 90 29.200 29.200 29.253 -0.053 18547 14555 1 15 . 1 1 100 100 GLU H H 90 8.080 8.080 8.296 -0.216 18547 14556 1 15 . 1 1 101 101 GLY N N 91 113.100 113.100 112.317 0.783 18547 14557 1 15 . 1 1 101 101 GLY C C 91 173.900 173.900 174.059 -0.159 18547 14558 1 15 . 1 1 101 101 GLY CA C 91 45.200 45.200 45.505 -0.305 18547 14559 1 15 . 1 1 101 101 GLY H H 91 8.850 8.850 8.745 0.105 18547 14560 1 15 . 1 1 102 102 LYS N N 92 120.100 120.100 120.013 0.087 18547 14561 1 15 . 1 1 102 102 LYS HA H 92 4.990 4.990 5.038 -0.048 18547 14562 1 15 . 1 1 102 102 LYS CA C 92 52.500 52.500 52.918 -0.418 18547 14563 1 15 . 1 1 102 102 LYS CB C 92 33.200 33.200 34.763 -1.563 18547 14564 1 15 . 1 1 102 102 LYS H H 92 8.270 8.270 7.844 0.426 18547 14565 1 15 . 1 1 103 103 PRO HA H 93 4.620 4.620 4.584 0.036 18547 14566 1 15 . 1 1 103 103 PRO C C 93 176.700 176.700 176.468 0.232 18547 14567 1 15 . 1 1 103 103 PRO CA C 93 62.400 62.400 62.291 0.109 18547 14568 1 15 . 1 1 103 103 PRO CB C 93 31.400 31.400 32.349 -0.949 18547 14569 1 15 . 1 1 104 104 ASP N N 94 124.500 124.500 119.452 5.048 18547 14570 1 15 . 1 1 104 104 ASP HA H 94 4.860 4.860 4.658 0.202 18547 14571 1 15 . 1 1 104 104 ASP C C 94 177.100 177.100 175.764 1.336 18547 14572 1 15 . 1 1 104 104 ASP CA C 94 55.900 55.900 55.108 0.792 18547 14573 1 15 . 1 1 104 104 ASP CB C 94 40.500 40.500 39.688 0.812 18547 14574 1 15 . 1 1 104 104 ASP H H 94 8.850 8.850 8.562 0.288 18547 14575 1 15 . 1 1 105 105 SER N N 95 118.600 118.600 119.842 -1.242 18547 14576 1 15 . 1 1 105 105 SER HA H 95 5.280 5.280 4.463 0.817 18547 14577 1 15 . 1 1 105 105 SER C C 95 173.700 173.700 173.556 0.144 18547 14578 1 15 . 1 1 105 105 SER CA C 95 57.900 57.900 59.696 -1.796 18547 14579 1 15 . 1 1 105 105 SER CB C 95 65.600 65.600 64.303 1.297 18547 14580 1 15 . 1 1 105 105 SER H H 95 9.260 9.260 8.317 0.943 18547 14581 1 15 . 1 1 106 106 GLU N N 96 124.100 124.100 126.621 -2.521 18547 14582 1 15 . 1 1 106 106 GLU HA H 96 5.180 5.180 4.677 0.503 18547 14583 1 15 . 1 1 106 106 GLU C C 96 172.400 172.400 175.341 -2.941 18547 14584 1 15 . 1 1 106 106 GLU CA C 96 57.200 57.200 55.139 2.061 18547 14585 1 15 . 1 1 106 106 GLU CB C 96 36.100 36.100 31.209 4.891 18547 14586 1 15 . 1 1 106 106 GLU H H 96 8.620 8.620 8.345 0.275 18547 14587 1 15 . 1 1 107 107 VAL N N 97 128.100 128.100 127.494 0.606 18547 14588 1 15 . 1 1 107 107 VAL HA H 97 4.770 4.770 4.423 0.347 18547 14589 1 15 . 1 1 107 107 VAL C C 97 173.100 173.100 174.577 -1.477 18547 14590 1 15 . 1 1 107 107 VAL CA C 97 60.100 60.100 60.957 -0.857 18547 14591 1 15 . 1 1 107 107 VAL CB C 97 34.200 34.200 33.569 0.631 18547 14592 1 15 . 1 1 107 107 VAL H H 97 9.180 9.180 8.395 0.785 18547 14593 1 15 . 1 1 108 108 GLU N N 98 126.200 126.200 125.701 0.499 18547 14594 1 15 . 1 1 108 108 GLU HA H 98 5.580 5.580 5.060 0.520 18547 14595 1 15 . 1 1 108 108 GLU C C 98 172.100 172.100 174.303 -2.203 18547 14596 1 15 . 1 1 108 108 GLU CA C 98 54.200 54.200 54.980 -0.780 18547 14597 1 15 . 1 1 108 108 GLU CB C 98 35.200 35.200 33.187 2.014 18547 14598 1 15 . 1 1 108 108 GLU H H 98 9.300 9.300 8.894 0.406 18547 14599 1 15 . 1 1 109 109 LEU N N 99 128.600 128.600 127.020 1.580 18547 14600 1 15 . 1 1 109 109 LEU HA H 99 5.080 5.080 4.636 0.444 18547 14601 1 15 . 1 1 109 109 LEU C C 99 175.100 175.100 174.194 0.906 18547 14602 1 15 . 1 1 109 109 LEU CA C 99 52.700 52.700 53.473 -0.773 18547 14603 1 15 . 1 1 109 109 LEU CB C 99 46.400 46.400 44.919 1.482 18547 14604 1 15 . 1 1 109 109 LEU H H 99 9.330 9.330 8.405 0.925 18547 14605 1 15 . 1 1 110 110 ARG N N 100 124.700 124.700 125.191 -0.491 18547 14606 1 15 . 1 1 110 110 ARG HA H 100 5.390 5.390 5.169 0.221 18547 14607 1 15 . 1 1 110 110 ARG C C 100 175.400 175.400 174.217 1.183 18547 14608 1 15 . 1 1 110 110 ARG CA C 100 54.600 54.600 53.867 0.733 18547 14609 1 15 . 1 1 110 110 ARG CB C 100 34.100 34.100 32.997 1.103 18547 14610 1 15 . 1 1 110 110 ARG H H 100 9.430 9.430 8.211 1.219 18547 14611 1 15 . 1 1 111 111 LEU N N 101 122.900 122.900 124.413 -1.513 18547 14612 1 15 . 1 1 111 111 LEU HA H 101 5.620 5.620 5.632 -0.012 18547 14613 1 15 . 1 1 111 111 LEU C C 101 177.100 177.100 175.398 1.702 18547 14614 1 15 . 1 1 111 111 LEU CA C 101 53.000 53.000 54.074 -1.074 18547 14615 1 15 . 1 1 111 111 LEU CB C 101 44.900 44.900 45.266 -0.366 18547 14616 1 15 . 1 1 111 111 LEU H H 101 9.120 9.120 8.855 0.265 18547 14617 1 15 . 1 1 112 112 SER N N 102 113.800 113.800 116.748 -2.948 18547 14618 1 15 . 1 1 112 112 SER HA H 102 4.690 4.690 4.613 0.077 18547 14619 1 15 . 1 1 112 112 SER C C 102 172.700 172.700 172.812 -0.112 18547 14620 1 15 . 1 1 112 112 SER CA C 102 57.000 57.000 56.895 0.105 18547 14621 1 15 . 1 1 112 112 SER CB C 102 65.700 65.700 65.683 0.017 18547 14622 1 15 . 1 1 112 112 SER H H 102 8.770 8.770 8.350 0.420 18547 14623 1 15 . 1 1 113 113 GLU N N 103 123.400 123.400 125.830 -2.430 18547 14624 1 15 . 1 1 113 113 GLU HA H 103 4.440 4.440 4.410 0.030 18547 14625 1 15 . 1 1 113 113 GLU C C 103 176.600 176.600 176.293 0.307 18547 14626 1 15 . 1 1 113 113 GLU CA C 103 57.500 57.500 57.504 -0.004 18547 14627 1 15 . 1 1 113 113 GLU CB C 103 30.200 30.200 30.187 0.013 18547 14628 1 15 . 1 1 113 113 GLU H H 103 9.200 9.200 8.746 0.454 18547 14629 1 15 . 1 1 114 114 GLU N N 104 126.500 126.500 122.707 3.793 18547 14630 1 15 . 1 1 114 114 GLU HA H 104 4.450 4.450 4.610 -0.160 18547 14631 1 15 . 1 1 114 114 GLU C C 104 175.600 175.600 176.483 -0.883 18547 14632 1 15 . 1 1 114 114 GLU CA C 104 55.700 55.700 55.795 -0.095 18547 14633 1 15 . 1 1 114 114 GLU CB C 104 31.300 31.300 32.253 -0.953 18547 14634 1 15 . 1 1 114 114 GLU H H 104 8.110 8.110 8.090 0.020 18547 14635 1 15 . 1 1 115 115 GLY N N 105 118.000 118.000 116.807 1.193 18547 14636 1 15 . 1 1 115 115 GLY C C 105 174.700 174.700 173.993 0.707 18547 14637 1 15 . 1 1 115 115 GLY CA C 105 47.100 47.100 46.774 0.326 18547 14638 1 15 . 1 1 115 115 GLY H H 105 9.030 9.030 8.662 0.368 18547 14639 1 15 . 1 1 116 116 ASP N N 106 126.200 126.200 125.928 0.272 18547 14640 1 15 . 1 1 116 116 ASP HA H 106 4.750 4.750 4.747 0.003 18547 14641 1 15 . 1 1 116 116 ASP C C 106 175.600 175.600 175.769 -0.169 18547 14642 1 15 . 1 1 116 116 ASP CA C 106 54.300 54.300 53.604 0.696 18547 14643 1 15 . 1 1 116 116 ASP CB C 106 40.800 40.800 41.619 -0.819 18547 14644 1 15 . 1 1 116 116 ASP H H 106 8.800 8.800 8.452 0.348 18547 14645 1 15 . 1 1 117 117 GLY N N 107 109.500 109.500 107.149 2.351 18547 14646 1 15 . 1 1 117 117 GLY C C 107 174.400 174.400 173.268 1.132 18547 14647 1 15 . 1 1 117 117 GLY CA C 107 44.800 44.800 44.414 0.386 18547 14648 1 15 . 1 1 117 117 GLY H H 107 8.040 8.040 7.853 0.187 18547 14649 1 15 . 1 1 118 118 THR N N 108 120.400 120.400 115.175 5.225 18547 14650 1 15 . 1 1 118 118 THR HA H 108 4.970 4.970 4.746 0.224 18547 14651 1 15 . 1 1 118 118 THR C C 108 173.000 173.000 172.637 0.363 18547 14652 1 15 . 1 1 118 118 THR CA C 108 63.500 63.500 62.248 1.252 18547 14653 1 15 . 1 1 118 118 THR CB C 108 73.000 73.000 72.496 0.504 18547 14654 1 15 . 1 1 118 118 THR H H 108 9.010 9.010 8.474 0.536 18547 14655 1 15 . 1 1 119 119 LEU N N 109 129.000 129.000 128.928 0.072 18547 14656 1 15 . 1 1 119 119 LEU HA H 109 4.790 4.790 4.800 -0.010 18547 14657 1 15 . 1 1 119 119 LEU C C 109 173.500 173.500 174.453 -0.953 18547 14658 1 15 . 1 1 119 119 LEU CA C 109 54.300 54.300 54.285 0.015 18547 14659 1 15 . 1 1 119 119 LEU CB C 109 42.900 42.900 43.088 -0.188 18547 14660 1 15 . 1 1 119 119 LEU H H 109 9.410 9.410 8.963 0.447 18547 14661 1 15 . 1 1 120 120 LEU N N 110 132.200 132.200 129.576 2.624 18547 14662 1 15 . 1 1 120 120 LEU HA H 110 4.820 4.820 5.107 -0.287 18547 14663 1 15 . 1 1 120 120 LEU C C 110 174.100 174.100 174.709 -0.609 18547 14664 1 15 . 1 1 120 120 LEU CA C 110 54.900 54.900 53.452 1.448 18547 14665 1 15 . 1 1 120 120 LEU CB C 110 45.300 45.300 43.194 2.106 18547 14666 1 15 . 1 1 120 120 LEU H H 110 9.430 9.430 9.138 0.292 18547 14667 1 15 . 1 1 121 121 GLU N N 111 125.800 125.800 128.291 -2.491 18547 14668 1 15 . 1 1 121 121 GLU HA H 111 5.530 5.530 5.100 0.430 18547 14669 1 15 . 1 1 121 121 GLU C C 111 173.500 173.500 174.321 -0.821 18547 14670 1 15 . 1 1 121 121 GLU CA C 111 54.500 54.500 54.435 0.065 18547 14671 1 15 . 1 1 121 121 GLU CB C 111 33.100 33.100 32.885 0.215 18547 14672 1 15 . 1 1 121 121 GLU H H 111 8.970 8.970 8.504 0.466 18547 14673 1 15 . 1 1 122 122 LEU N N 112 127.300 127.300 129.405 -2.105 18547 14674 1 15 . 1 1 122 122 LEU HA H 112 5.030 5.030 4.894 0.136 18547 14675 1 15 . 1 1 122 122 LEU C C 112 173.700 173.700 174.441 -0.741 18547 14676 1 15 . 1 1 122 122 LEU CA C 112 53.200 53.200 53.587 -0.387 18547 14677 1 15 . 1 1 122 122 LEU CB C 112 45.400 45.400 44.481 0.919 18547 14678 1 15 . 1 1 122 122 LEU H H 112 8.950 8.950 8.725 0.225 18547 14679 1 15 . 1 1 123 123 GLU N N 113 127.900 127.900 129.292 -1.392 18547 14680 1 15 . 1 1 123 123 GLU HA H 113 5.750 5.750 5.049 0.701 18547 14681 1 15 . 1 1 123 123 GLU C C 113 174.200 174.200 174.702 -0.502 18547 14682 1 15 . 1 1 123 123 GLU CA C 113 52.900 52.900 54.346 -1.446 18547 14683 1 15 . 1 1 123 123 GLU CB C 113 33.300 33.300 31.823 1.477 18547 14684 1 15 . 1 1 123 123 GLU H H 113 9.350 9.350 8.563 0.787 18547 14685 1 15 . 1 1 124 124 HIS N N 114 128.200 128.200 126.997 1.203 18547 14686 1 15 . 1 1 124 124 HIS HA H 114 5.240 5.240 4.677 0.563 18547 14687 1 15 . 1 1 124 124 HIS C C 114 173.900 173.900 172.946 0.954 18547 14688 1 15 . 1 1 124 124 HIS CA C 114 54.300 54.300 54.243 0.056 18547 14689 1 15 . 1 1 124 124 HIS CB C 114 34.600 34.600 32.440 2.160 18547 14690 1 15 . 1 1 124 124 HIS H H 114 8.770 8.770 8.166 0.604 18547 14691 1 15 . 1 1 125 125 ALA N N 115 128.600 128.600 131.019 -2.419 18547 14692 1 15 . 1 1 125 125 ALA HA H 115 5.150 5.150 5.329 -0.179 18547 14693 1 15 . 1 1 125 125 ALA C C 115 175.400 175.400 175.698 -0.298 18547 14694 1 15 . 1 1 125 125 ALA CA C 115 50.100 50.100 50.360 -0.260 18547 14695 1 15 . 1 1 125 125 ALA CB C 115 22.500 22.500 21.089 1.411 18547 14696 1 15 . 1 1 125 125 ALA H H 115 9.360 9.360 8.424 0.936 18547 14697 1 15 . 1 1 126 126 THR N N 116 115.800 115.800 117.581 -1.781 18547 14698 1 15 . 1 1 126 126 THR HA H 116 4.960 4.960 4.731 0.229 18547 14699 1 15 . 1 1 126 126 THR C C 116 172.200 172.200 175.129 -2.929 18547 14700 1 15 . 1 1 126 126 THR CA C 116 58.800 58.800 60.791 -1.991 18547 14701 1 15 . 1 1 126 126 THR CB C 116 69.200 69.200 72.137 -2.937 18547 14702 1 15 . 1 1 126 126 THR H H 116 8.760 8.760 8.368 0.392 18547 14703 1 15 . 1 1 127 127 THR N N 117 116.000 116.000 120.981 -4.981 18547 14704 1 15 . 1 1 127 127 THR HA H 117 4.390 4.390 4.299 0.091 18547 14705 1 15 . 1 1 127 127 THR C C 117 174.400 174.400 174.785 -0.385 18547 14706 1 15 . 1 1 127 127 THR CA C 117 62.900 62.900 64.781 -1.881 18547 14707 1 15 . 1 1 127 127 THR CB C 117 68.800 68.800 68.970 -0.170 18547 14708 1 15 . 1 1 127 127 THR H H 117 8.460 8.460 8.876 -0.416 18547 14709 1 15 . 1 1 128 128 SER N N 118 116.400 116.400 117.979 -1.579 18547 14710 1 15 . 1 1 128 128 SER HA H 118 4.890 4.890 4.657 0.233 18547 14711 1 15 . 1 1 128 128 SER C C 118 174.700 174.700 174.537 0.163 18547 14712 1 15 . 1 1 128 128 SER CA C 118 55.400 55.400 56.477 -1.077 18547 14713 1 15 . 1 1 128 128 SER CB C 118 63.000 63.000 64.153 -1.153 18547 14714 1 15 . 1 1 128 128 SER H H 118 7.730 7.730 7.471 0.260 18547 14715 1 15 . 1 1 129 129 GLU N N 119 130.300 130.300 128.622 1.678 18547 14716 1 15 . 1 1 129 129 GLU HA H 119 3.940 3.940 3.995 -0.055 18547 14717 1 15 . 1 1 129 129 GLU C C 119 178.400 178.400 178.037 0.363 18547 14718 1 15 . 1 1 129 129 GLU CA C 119 59.900 59.900 59.432 0.468 18547 14719 1 15 . 1 1 129 129 GLU CB C 119 29.700 29.700 29.099 0.601 18547 14720 1 15 . 1 1 129 129 GLU H H 119 9.000 9.000 9.120 -0.120 18547 14721 1 15 . 1 1 130 130 GLN N N 120 117.300 117.300 119.906 -2.606 18547 14722 1 15 . 1 1 130 130 GLN HA H 120 4.120 4.120 4.110 0.010 18547 14723 1 15 . 1 1 130 130 GLN C C 120 177.900 177.900 177.932 -0.032 18547 14724 1 15 . 1 1 130 130 GLN CA C 120 58.400 58.400 58.761 -0.361 18547 14725 1 15 . 1 1 130 130 GLN CB C 120 28.000 28.000 27.978 0.022 18547 14726 1 15 . 1 1 130 130 GLN H H 120 8.410 8.410 8.316 0.094 18547 14727 1 15 . 1 1 131 131 MET N N 121 118.300 118.300 119.591 -1.291 18547 14728 1 15 . 1 1 131 131 MET HA H 121 4.240 4.240 4.029 0.211 18547 14729 1 15 . 1 1 131 131 MET C C 121 176.400 176.400 178.236 -1.836 18547 14730 1 15 . 1 1 131 131 MET CA C 121 57.300 57.300 58.559 -1.259 18547 14731 1 15 . 1 1 131 131 MET CB C 121 32.400 32.400 32.247 0.153 18547 14732 1 15 . 1 1 131 131 MET H H 121 7.640 7.640 8.246 -0.606 18547 14733 1 15 . 1 1 132 132 LEU N N 122 118.700 118.700 118.791 -0.091 18547 14734 1 15 . 1 1 132 132 LEU HA H 122 3.630 3.630 3.834 -0.204 18547 14735 1 15 . 1 1 132 132 LEU C C 122 177.100 177.100 179.126 -2.026 18547 14736 1 15 . 1 1 132 132 LEU CA C 122 58.300 58.300 57.770 0.530 18547 14737 1 15 . 1 1 132 132 LEU CB C 122 41.900 41.900 41.401 0.499 18547 14738 1 15 . 1 1 132 132 LEU H H 122 7.470 7.470 7.601 -0.131 18547 14739 1 15 . 1 1 133 133 VAL N N 123 114.600 114.600 118.770 -4.170 18547 14740 1 15 . 1 1 133 133 VAL HA H 123 3.360 3.360 3.503 -0.143 18547 14741 1 15 . 1 1 133 133 VAL C C 123 176.700 176.700 177.775 -1.075 18547 14742 1 15 . 1 1 133 133 VAL CA C 123 66.600 66.600 66.483 0.117 18547 14743 1 15 . 1 1 133 133 VAL CB C 123 31.800 31.800 31.408 0.392 18547 14744 1 15 . 1 1 133 133 VAL H H 123 7.040 7.040 7.192 -0.152 18547 14745 1 15 . 1 1 134 134 GLU N N 124 116.700 116.700 120.831 -4.131 18547 14746 1 15 . 1 1 134 134 GLU HA H 124 3.900 3.900 3.761 0.139 18547 14747 1 15 . 1 1 134 134 GLU C C 124 180.700 180.700 178.685 2.015 18547 14748 1 15 . 1 1 134 134 GLU CA C 124 59.300 59.300 59.793 -0.493 18547 14749 1 15 . 1 1 134 134 GLU CB C 124 29.900 29.900 29.734 0.166 18547 14750 1 15 . 1 1 134 134 GLU H H 124 7.200 7.200 8.111 -0.911 18547 14751 1 15 . 1 1 135 135 VAL N N 125 114.700 114.700 114.846 -0.146 18547 14752 1 15 . 1 1 135 135 VAL HA H 125 3.930 3.930 3.803 0.127 18547 14753 1 15 . 1 1 135 135 VAL C C 125 177.900 177.900 177.821 0.079 18547 14754 1 15 . 1 1 135 135 VAL CA C 125 63.800 63.800 64.876 -1.076 18547 14755 1 15 . 1 1 135 135 VAL CB C 125 30.400 30.400 30.565 -0.165 18547 14756 1 15 . 1 1 135 135 VAL H H 125 8.620 8.620 7.857 0.763 18547 14757 1 15 . 1 1 136 136 GLY N N 126 112.200 112.200 108.858 3.342 18547 14758 1 15 . 1 1 136 136 GLY C C 126 174.800 174.800 175.470 -0.670 18547 14759 1 15 . 1 1 136 136 GLY CA C 126 47.200 47.200 46.545 0.655 18547 14760 1 15 . 1 1 136 136 GLY H H 126 7.750 7.750 7.660 0.090 18547 14761 1 15 . 1 1 137 137 VAL N N 127 119.100 119.100 122.642 -3.542 18547 14762 1 15 . 1 1 137 137 VAL HA H 127 3.510 3.510 3.843 -0.333 18547 14763 1 15 . 1 1 137 137 VAL C C 127 179.100 179.100 177.849 1.251 18547 14764 1 15 . 1 1 137 137 VAL CA C 127 67.400 67.400 66.422 0.978 18547 14765 1 15 . 1 1 137 137 VAL CB C 127 32.500 32.500 31.479 1.021 18547 14766 1 15 . 1 1 137 137 VAL H H 127 7.680 7.680 7.662 0.018 18547 14767 1 15 . 1 1 138 138 GLY N N 128 106.300 106.300 107.736 -1.436 18547 14768 1 15 . 1 1 138 138 GLY C C 128 177.900 177.900 175.963 1.937 18547 14769 1 15 . 1 1 138 138 GLY CA C 128 47.300 47.300 47.327 -0.027 18547 14770 1 15 . 1 1 138 138 GLY H H 128 8.210 8.210 8.227 -0.017 18547 14771 1 15 . 1 1 139 139 TRP N N 129 122.500 122.500 121.498 1.002 18547 14772 1 15 . 1 1 139 139 TRP HA H 129 4.890 4.890 4.340 0.550 18547 14773 1 15 . 1 1 139 139 TRP C C 129 179.100 179.100 178.479 0.621 18547 14774 1 15 . 1 1 139 139 TRP CA C 129 59.800 59.800 59.856 -0.056 18547 14775 1 15 . 1 1 139 139 TRP CB C 129 30.100 30.100 29.470 0.630 18547 14776 1 15 . 1 1 139 139 TRP H H 129 8.880 8.880 7.938 0.942 18547 14777 1 15 . 1 1 140 140 GLU N N 130 119.000 119.000 120.092 -1.092 18547 14778 1 15 . 1 1 140 140 GLU HA H 130 4.020 4.020 4.027 -0.007 18547 14779 1 15 . 1 1 140 140 GLU C C 130 179.300 179.300 179.177 0.123 18547 14780 1 15 . 1 1 140 140 GLU CA C 130 62.900 62.900 59.585 3.315 18547 14781 1 15 . 1 1 140 140 GLU CB C 130 30.600 30.600 29.488 1.112 18547 14782 1 15 . 1 1 140 140 GLU H H 130 8.210 8.210 7.748 0.462 18547 14783 1 15 . 1 1 141 141 MET N N 131 117.100 117.100 118.199 -1.099 18547 14784 1 15 . 1 1 141 141 MET HA H 131 4.330 4.330 4.090 0.240 18547 14785 1 15 . 1 1 141 141 MET C C 131 178.500 178.500 178.652 -0.152 18547 14786 1 15 . 1 1 141 141 MET CA C 131 57.700 57.700 59.237 -1.537 18547 14787 1 15 . 1 1 141 141 MET CB C 131 30.600 30.600 32.670 -2.070 18547 14788 1 15 . 1 1 141 141 MET H H 131 8.210 8.210 7.941 0.269 18547 14789 1 15 . 1 1 142 142 ALA N N 132 121.400 121.400 124.389 -2.989 18547 14790 1 15 . 1 1 142 142 ALA HA H 132 4.720 4.720 4.733 -0.013 18547 14791 1 15 . 1 1 142 142 ALA C C 132 180.900 180.900 180.361 0.539 18547 14792 1 15 . 1 1 142 142 ALA CA C 132 55.700 55.700 55.466 0.234 18547 14793 1 15 . 1 1 142 142 ALA CB C 132 18.200 18.200 18.758 -0.558 18547 14794 1 15 . 1 1 142 142 ALA H H 132 7.910 7.910 8.206 -0.296 18547 14795 1 15 . 1 1 143 143 LEU N N 133 117.200 117.200 118.498 -1.298 18547 14796 1 15 . 1 1 143 143 LEU HA H 133 4.150 4.150 4.076 0.074 18547 14797 1 15 . 1 1 143 143 LEU C C 133 180.300 180.300 179.601 0.699 18547 14798 1 15 . 1 1 143 143 LEU CA C 133 57.300 57.300 57.300 -0.000 18547 14799 1 15 . 1 1 143 143 LEU CB C 133 40.600 40.600 40.244 0.356 18547 14800 1 15 . 1 1 143 143 LEU H H 133 9.190 9.190 8.655 0.535 18547 14801 1 15 . 1 1 144 144 ASP N N 134 122.600 122.600 120.381 2.219 18547 14802 1 15 . 1 1 144 144 ASP HA H 134 4.580 4.580 4.416 0.164 18547 14803 1 15 . 1 1 144 144 ASP C C 134 179.900 179.900 178.520 1.380 18547 14804 1 15 . 1 1 144 144 ASP CA C 134 57.800 57.800 57.077 0.723 18547 14805 1 15 . 1 1 144 144 ASP CB C 134 39.800 39.800 40.601 -0.801 18547 14806 1 15 . 1 1 144 144 ASP H H 134 7.930 7.930 7.895 0.035 18547 14807 1 15 . 1 1 145 145 PHE N N 135 119.300 119.300 118.837 0.463 18547 14808 1 15 . 1 1 145 145 PHE HA H 135 4.580 4.580 4.393 0.187 18547 14809 1 15 . 1 1 145 145 PHE C C 135 178.000 178.000 178.044 -0.044 18547 14810 1 15 . 1 1 145 145 PHE CA C 135 61.700 61.700 61.627 0.073 18547 14811 1 15 . 1 1 145 145 PHE CB C 135 39.400 39.400 39.029 0.371 18547 14812 1 15 . 1 1 145 145 PHE H H 135 7.690 7.690 8.082 -0.392 18547 14813 1 15 . 1 1 146 146 LEU N N 136 124.400 124.400 120.815 3.585 18547 14814 1 15 . 1 1 146 146 LEU HA H 136 3.200 3.200 4.300 -1.100 18547 14815 1 15 . 1 1 146 146 LEU C C 136 178.800 178.800 178.644 0.156 18547 14816 1 15 . 1 1 146 146 LEU CA C 136 58.400 58.400 57.222 1.178 18547 14817 1 15 . 1 1 146 146 LEU CB C 136 38.800 38.800 41.121 -2.321 18547 14818 1 15 . 1 1 146 146 LEU H H 136 7.930 7.930 8.410 -0.480 18547 14819 1 15 . 1 1 147 147 GLY N N 137 104.200 104.200 107.294 -3.094 18547 14820 1 15 . 1 1 147 147 GLY C C 137 176.100 176.100 176.021 0.079 18547 14821 1 15 . 1 1 147 147 GLY CA C 137 47.900 47.900 46.811 1.089 18547 14822 1 15 . 1 1 147 147 GLY H H 137 8.340 8.340 7.817 0.523 18547 14823 1 15 . 1 1 148 148 MET N N 138 119.300 119.300 121.467 -2.167 18547 14824 1 15 . 1 1 148 148 MET HA H 138 4.090 4.090 4.124 -0.034 18547 14825 1 15 . 1 1 148 148 MET C C 138 177.700 177.700 178.289 -0.589 18547 14826 1 15 . 1 1 148 148 MET CA C 138 59.400 59.400 58.945 0.455 18547 14827 1 15 . 1 1 148 148 MET CB C 138 34.500 34.500 32.704 1.796 18547 14828 1 15 . 1 1 148 148 MET H H 138 7.550 7.550 7.748 -0.198 18547 14829 1 15 . 1 1 149 149 PHE N N 139 120.400 120.400 121.500 -1.100 18547 14830 1 15 . 1 1 149 149 PHE HA H 139 4.380 4.380 4.572 -0.192 18547 14831 1 15 . 1 1 149 149 PHE C C 139 179.100 179.100 177.989 1.111 18547 14832 1 15 . 1 1 149 149 PHE CA C 139 60.800 60.800 61.041 -0.241 18547 14833 1 15 . 1 1 149 149 PHE CB C 139 39.200 39.200 39.201 -0.001 18547 14834 1 15 . 1 1 149 149 PHE H H 139 8.600 8.600 8.392 0.208 18547 14835 1 15 . 1 1 150 150 ILE N N 140 121.300 121.300 117.490 3.810 18547 14836 1 15 . 1 1 150 150 ILE HA H 140 3.420 3.420 3.486 -0.066 18547 14837 1 15 . 1 1 150 150 ILE C C 140 177.500 177.500 177.015 0.485 18547 14838 1 15 . 1 1 150 150 ILE CA C 140 63.100 63.100 63.138 -0.038 18547 14839 1 15 . 1 1 150 150 ILE CB C 140 37.100 37.100 37.875 -0.775 18547 14840 1 15 . 1 1 150 150 ILE H H 140 8.780 8.780 7.848 0.932 18547 14841 1 15 . 1 1 151 151 ARG N N 141 116.500 116.500 118.806 -2.306 18547 14842 1 15 . 1 1 151 151 ARG HA H 141 4.220 4.220 4.131 0.088 18547 14843 1 15 . 1 1 151 151 ARG C C 141 176.700 176.700 176.500 0.200 18547 14844 1 15 . 1 1 151 151 ARG CA C 141 57.500 57.500 56.269 1.231 18547 14845 1 15 . 1 1 151 151 ARG CB C 141 31.500 31.500 30.886 0.614 18547 14846 1 15 . 1 1 151 151 ARG H H 141 7.730 7.730 7.714 0.016 18547 14847 1 15 . 1 1 152 152 GLY N N 142 106.800 106.800 106.170 0.630 18547 14848 1 15 . 1 1 152 152 GLY C C 142 174.900 174.900 173.647 1.253 18547 14849 1 15 . 1 1 152 152 GLY CA C 142 45.700 45.700 44.747 0.953 18547 14850 1 15 . 1 1 152 152 GLY H H 142 7.570 7.570 7.466 0.104 18547 14851 1 15 . 1 1 153 153 ASP N N 143 119.400 119.400 120.122 -0.722 18547 14852 1 15 . 1 1 153 153 ASP HA H 143 4.780 4.780 5.041 -0.261 18547 14853 1 15 . 1 1 153 153 ASP C C 143 175.400 175.400 175.440 -0.040 18547 14854 1 15 . 1 1 153 153 ASP CA C 143 54.200 54.200 52.819 1.381 18547 14855 1 15 . 1 1 153 153 ASP CB C 143 42.100 42.100 43.580 -1.480 18547 14856 1 15 . 1 1 153 153 ASP H H 143 8.290 8.290 8.264 0.026 18547 14857 1 15 . 1 1 154 154 LEU N N 144 121.300 121.300 118.977 2.323 18547 14858 1 15 . 1 1 154 154 LEU HA H 144 4.810 4.810 4.307 0.503 18547 14859 1 15 . 1 1 154 154 LEU CA C 144 52.800 52.800 54.938 -2.138 18547 14860 1 15 . 1 1 154 154 LEU CB C 144 42.500 42.500 40.857 1.643 18547 14861 1 15 . 1 1 154 154 LEU H H 144 8.010 8.010 8.952 -0.942 18547 14862 1 15 . 1 1 155 155 PRO HA H 145 4.480 4.480 4.287 0.193 18547 14863 1 15 . 1 1 155 155 PRO C C 145 177.600 177.600 178.018 -0.418 18547 14864 1 15 . 1 1 155 155 PRO CA C 145 63.500 63.500 64.545 -1.045 18547 14865 1 15 . 1 1 155 155 PRO CB C 145 32.200 32.200 32.228 -0.028 18547 14866 1 15 . 1 1 156 156 GLY N N 146 108.900 108.900 105.677 3.223 18547 14867 1 15 . 1 1 156 156 GLY C C 146 174.300 174.300 174.684 -0.384 18547 14868 1 15 . 1 1 156 156 GLY CA C 146 45.100 45.100 44.626 0.474 18547 14869 1 15 . 1 1 156 156 GLY H H 146 8.530 8.530 8.449 0.081 18547 14870 1 15 . 1 1 157 157 GLY N N 147 108.800 108.800 108.776 0.024 18547 14871 1 15 . 1 1 157 157 GLY CA C 147 44.500 44.500 44.356 0.144 18547 14872 1 15 . 1 1 157 157 GLY H H 147 8.080 8.080 7.664 0.416 18547 14873 1 15 . 1 1 158 158 PRO HA H 148 4.440 4.440 4.166 0.274 18547 14874 1 15 . 1 1 158 158 PRO C C 148 176.800 176.800 176.600 0.200 18547 14875 1 15 . 1 1 158 158 PRO CA C 148 63.000 63.000 62.273 0.727 18547 14876 1 15 . 1 1 158 158 PRO CB C 148 32.100 32.100 31.513 0.587 18547 14877 1 15 . 1 1 159 159 VAL N N 149 121.400 121.400 119.647 1.753 18547 14878 1 15 . 1 1 159 159 VAL HA H 149 4.390 4.390 4.134 0.256 18547 14879 1 15 . 1 1 159 159 VAL CA C 149 59.800 59.800 60.020 -0.220 18547 14880 1 15 . 1 1 159 159 VAL CB C 149 32.600 32.600 30.860 1.740 18547 14881 1 15 . 1 1 159 159 VAL H H 149 8.220 8.220 8.229 -0.009 18547 14882 1 15 . 1 1 160 160 PRO HA H 150 4.380 4.380 4.229 0.151 18547 14883 1 15 . 1 1 160 160 PRO C C 150 177.200 177.200 177.084 0.116 18547 14884 1 15 . 1 1 160 160 PRO CA C 150 63.300 63.300 64.660 -1.361 18547 14885 1 15 . 1 1 160 160 PRO CB C 150 32.100 32.100 31.755 0.345 18547 14886 1 15 . 1 1 161 161 GLU N N 151 120.700 120.700 116.173 4.527 18547 14887 1 15 . 1 1 161 161 GLU HA H 151 4.170 4.170 4.292 -0.122 18547 14888 1 15 . 1 1 161 161 GLU CA C 151 57.400 57.400 55.015 2.385 18547 14889 1 15 . 1 1 161 161 GLU CB C 151 29.900 29.900 28.464 1.436 18547 14890 1 15 . 1 1 161 161 GLU H H 151 8.620 8.620 8.252 0.368 18547 14891 1 15 . 1 1 162 162 ASP N N 152 119.900 119.900 121.605 -1.705 18547 14892 1 15 . 1 1 162 162 ASP HA H 152 4.570 4.570 4.373 0.197 18547 14893 1 15 . 1 1 162 162 ASP C C 152 176.000 176.000 175.189 0.811 18547 14894 1 15 . 1 1 162 162 ASP CA C 152 54.200 54.200 55.230 -1.030 18547 14895 1 15 . 1 1 162 162 ASP CB C 152 41.000 41.000 39.823 1.177 18547 14896 1 15 . 1 1 162 162 ASP H H 152 8.250 8.250 7.678 0.572 18547 14897 1 15 . 1 1 163 163 ALA N N 153 124.000 124.000 126.638 -2.638 18547 14898 1 15 . 1 1 163 163 ALA HA H 153 4.270 4.270 4.426 -0.156 18547 14899 1 15 . 1 1 163 163 ALA C C 153 177.400 177.400 175.603 1.797 18547 14900 1 15 . 1 1 163 163 ALA CA C 153 52.700 52.700 52.104 0.596 18547 14901 1 15 . 1 1 163 163 ALA CB C 153 19.200 19.200 20.098 -0.898 18547 14902 1 15 . 1 1 163 163 ALA H H 153 8.040 8.040 8.082 -0.042 18547 14903 1 15 . 1 1 164 164 ALA N N 154 122.600 122.600 121.985 0.615 18547 14904 1 15 . 1 1 164 164 ALA HA H 154 4.260 4.260 3.929 0.331 18547 14905 1 15 . 1 1 164 164 ALA C C 154 177.900 177.900 176.820 1.080 18547 14906 1 15 . 1 1 164 164 ALA CA C 154 52.600 52.600 53.431 -0.831 18547 14907 1 15 . 1 1 164 164 ALA CB C 154 19.300 19.300 18.268 1.032 18547 14908 1 15 . 1 1 164 164 ALA H H 154 8.190 8.190 7.865 0.325 18547 14909 1 15 . 1 1 165 165 GLU N N 155 119.400 119.400 117.131 2.269 18547 14910 1 15 . 1 1 165 165 GLU HA H 155 4.220 4.220 3.897 0.323 18547 14911 1 15 . 1 1 165 165 GLU C C 155 176.200 176.200 177.233 -1.033 18547 14912 1 15 . 1 1 165 165 GLU CA C 155 56.500 56.500 57.753 -1.253 18547 14913 1 15 . 1 1 165 165 GLU CB C 155 30.300 30.300 28.562 1.738 18547 14914 1 15 . 1 1 165 165 GLU H H 155 8.190 8.190 8.709 -0.519 18547 14915 1 15 . 1 1 166 166 GLU N N 156 121.000 121.000 118.568 2.432 18547 14916 1 15 . 1 1 166 166 GLU HA H 156 4.240 4.240 4.120 0.120 18547 14917 1 15 . 1 1 166 166 GLU C C 156 175.800 175.800 176.540 -0.740 18547 14918 1 15 . 1 1 166 166 GLU CA C 156 56.300 56.300 59.188 -2.888 18547 14919 1 15 . 1 1 166 166 GLU CB C 156 30.300 30.300 29.913 0.387 18547 14920 1 15 . 1 1 166 166 GLU H H 156 8.230 8.230 8.509 -0.279 18547 14921 1 15 . 1 1 167 167 PHE N N 157 121.400 121.400 114.591 6.809 18547 14922 1 15 . 1 1 167 167 PHE HA H 157 4.590 4.590 4.549 0.041 18547 14923 1 15 . 1 1 167 167 PHE C C 157 175.100 175.100 174.438 0.662 18547 14924 1 15 . 1 1 167 167 PHE CA C 157 57.700 57.700 58.457 -0.757 18547 14925 1 15 . 1 1 167 167 PHE CB C 157 39.900 39.900 40.839 -0.939 18547 14926 1 15 . 1 1 167 167 PHE H H 157 8.240 8.240 7.950 0.290 18547 14927 1 15 . 1 1 168 168 GLU N N 158 124.400 124.400 123.455 0.945 18547 14928 1 15 . 1 1 168 168 GLU HA H 158 4.600 4.600 4.498 0.102 18547 14929 1 15 . 1 1 168 168 GLU CA C 158 53.700 53.700 54.341 -0.641 18547 14930 1 15 . 1 1 168 168 GLU CB C 158 30.400 30.400 29.135 1.265 18547 14931 1 15 . 1 1 168 168 GLU H H 158 8.130 8.130 8.295 -0.165 18547 14932 1 15 . 1 1 169 169 PRO HA H 159 4.460 4.460 4.396 0.063 18547 14933 1 15 . 1 1 169 169 PRO C C 159 176.200 176.200 175.910 0.290 18547 14934 1 15 . 1 1 169 169 PRO CA C 159 62.800 62.800 62.635 0.165 18547 14935 1 15 . 1 1 169 169 PRO CB C 159 32.300 32.300 31.183 1.117 18547 14936 1 15 . 1 1 170 170 SER N N 160 118.600 118.600 121.507 -2.907 18547 14937 1 15 . 1 1 170 170 SER HA H 160 4.780 4.780 4.618 0.162 18547 14938 1 15 . 1 1 170 170 SER CA C 160 56.200 56.200 56.873 -0.673 18547 14939 1 15 . 1 1 170 170 SER CB C 160 63.200 63.200 62.668 0.532 18547 14940 1 15 . 1 1 170 170 SER H H 160 8.290 8.290 7.850 0.440 18547 14941 1 15 . 1 1 171 171 PRO HA H 161 4.350 4.350 4.175 0.175 18547 14942 1 15 . 1 1 171 171 PRO C C 161 179.400 179.400 178.972 0.428 18547 14943 1 15 . 1 1 171 171 PRO CA C 161 65.500 65.500 65.702 -0.202 18547 14944 1 15 . 1 1 171 171 PRO CB C 161 31.700 31.700 31.906 -0.206 18547 14945 1 15 . 1 1 172 172 GLU N N 162 118.300 118.300 117.923 0.377 18547 14946 1 15 . 1 1 172 172 GLU HA H 162 4.160 4.160 4.113 0.047 18547 14947 1 15 . 1 1 172 172 GLU C C 162 178.300 178.300 179.065 -0.765 18547 14948 1 15 . 1 1 172 172 GLU CA C 162 59.300 59.300 59.611 -0.311 18547 14949 1 15 . 1 1 172 172 GLU CB C 162 29.400 29.400 28.973 0.427 18547 14950 1 15 . 1 1 172 172 GLU H H 162 8.540 8.540 8.809 -0.269 18547 14951 1 15 . 1 1 173 173 MET N N 163 119.400 119.400 118.925 0.475 18547 14952 1 15 . 1 1 173 173 MET HA H 163 4.260 4.260 4.427 -0.167 18547 14953 1 15 . 1 1 173 173 MET C C 163 179.200 179.200 178.208 0.992 18547 14954 1 15 . 1 1 173 173 MET CA C 163 58.200 58.200 57.097 1.103 18547 14955 1 15 . 1 1 173 173 MET CB C 163 32.500 32.500 32.335 0.165 18547 14956 1 15 . 1 1 173 173 MET H H 163 7.830 7.830 7.683 0.147 18547 14957 1 15 . 1 1 174 174 MET N N 164 119.300 119.300 119.017 0.283 18547 14958 1 15 . 1 1 174 174 MET HA H 164 4.260 4.260 4.298 -0.038 18547 14959 1 15 . 1 1 174 174 MET C C 164 178.600 178.600 177.848 0.752 18547 14960 1 15 . 1 1 174 174 MET CA C 164 58.200 58.200 59.159 -0.959 18547 14961 1 15 . 1 1 174 174 MET CB C 164 31.900 31.900 32.156 -0.256 18547 14962 1 15 . 1 1 174 174 MET H H 164 8.320 8.320 8.643 -0.323 18547 14963 1 15 . 1 1 175 175 ARG N N 165 121.200 121.200 120.867 0.333 18547 14964 1 15 . 1 1 175 175 ARG HA H 165 4.160 4.160 3.981 0.179 18547 14965 1 15 . 1 1 175 175 ARG C C 165 178.800 178.800 178.411 0.389 18547 14966 1 15 . 1 1 175 175 ARG CA C 165 59.400 59.400 59.559 -0.159 18547 14967 1 15 . 1 1 175 175 ARG CB C 165 29.900 29.900 30.202 -0.302 18547 14968 1 15 . 1 1 175 175 ARG H H 165 8.020 8.020 7.593 0.427 18547 14969 1 15 . 1 1 176 176 ILE N N 166 120.500 120.500 119.406 1.094 18547 14970 1 15 . 1 1 176 176 ILE HA H 166 3.920 3.920 3.627 0.293 18547 14971 1 15 . 1 1 176 176 ILE C C 166 178.500 178.500 177.653 0.847 18547 14972 1 15 . 1 1 176 176 ILE CA C 166 64.500 64.500 65.370 -0.870 18547 14973 1 15 . 1 1 176 176 ILE CB C 166 37.900 37.900 37.750 0.150 18547 14974 1 15 . 1 1 176 176 ILE H H 166 8.110 8.110 7.748 0.362 18547 14975 1 15 . 1 1 177 177 SER N N 167 116.300 116.300 114.255 2.045 18547 14976 1 15 . 1 1 177 177 SER HA H 167 4.240 4.240 4.081 0.159 18547 14977 1 15 . 1 1 177 177 SER C C 167 177.300 177.300 177.104 0.196 18547 14978 1 15 . 1 1 177 177 SER CA C 167 62.500 62.500 61.131 1.369 18547 14979 1 15 . 1 1 177 177 SER CB C 167 62.800 62.800 62.922 -0.122 18547 14980 1 15 . 1 1 177 177 SER H H 167 8.290 8.290 8.079 0.211 18547 14981 1 15 . 1 1 178 178 GLN N N 168 123.300 123.300 120.798 2.502 18547 14982 1 15 . 1 1 178 178 GLN HA H 168 4.110 4.110 4.083 0.027 18547 14983 1 15 . 1 1 178 178 GLN C C 168 178.600 178.600 178.383 0.217 18547 14984 1 15 . 1 1 178 178 GLN CA C 168 59.200 59.200 58.659 0.541 18547 14985 1 15 . 1 1 178 178 GLN CB C 168 28.000 28.000 28.431 -0.431 18547 14986 1 15 . 1 1 178 178 GLN H H 168 8.080 8.080 7.998 0.082 18547 14987 1 15 . 1 1 179 179 GLU N N 169 121.200 121.200 120.114 1.086 18547 14988 1 15 . 1 1 179 179 GLU HA H 169 4.090 4.090 4.012 0.078 18547 14989 1 15 . 1 1 179 179 GLU C C 169 180.500 180.500 179.494 1.006 18547 14990 1 15 . 1 1 179 179 GLU CA C 169 59.500 59.500 59.392 0.108 18547 14991 1 15 . 1 1 179 179 GLU CB C 169 29.700 29.700 29.261 0.439 18547 14992 1 15 . 1 1 179 179 GLU H H 169 8.380 8.380 8.213 0.167 18547 14993 1 15 . 1 1 180 180 ARG N N 170 120.800 120.800 118.390 2.410 18547 14994 1 15 . 1 1 180 180 ARG HA H 170 4.010 4.010 4.262 -0.252 18547 14995 1 15 . 1 1 180 180 ARG C C 170 178.100 178.100 178.940 -0.840 18547 14996 1 15 . 1 1 180 180 ARG CA C 170 59.900 59.900 58.319 1.581 18547 14997 1 15 . 1 1 180 180 ARG CB C 170 30.600 30.600 29.905 0.695 18547 14998 1 15 . 1 1 180 180 ARG H H 170 8.670 8.670 8.366 0.304 18547 14999 1 15 . 1 1 181 181 GLY N N 171 108.200 108.200 108.329 -0.129 18547 15000 1 15 . 1 1 181 181 GLY C C 171 176.600 176.600 176.497 0.103 18547 15001 1 15 . 1 1 181 181 GLY CA C 171 47.800 47.800 47.238 0.562 18547 15002 1 15 . 1 1 181 181 GLY H H 171 8.550 8.550 8.118 0.432 18547 15003 1 15 . 1 1 182 182 GLU N N 172 121.900 121.900 121.544 0.356 18547 15004 1 15 . 1 1 182 182 GLU HA H 172 4.110 4.110 4.043 0.067 18547 15005 1 15 . 1 1 182 182 GLU C C 172 179.300 179.300 178.915 0.385 18547 15006 1 15 . 1 1 182 182 GLU CA C 172 59.300 59.300 58.596 0.704 18547 15007 1 15 . 1 1 182 182 GLU CB C 172 29.300 29.300 29.617 -0.317 18547 15008 1 15 . 1 1 182 182 GLU H H 172 8.190 8.190 8.241 -0.051 18547 15009 1 15 . 1 1 183 183 ALA N N 173 123.500 123.500 123.120 0.380 18547 15010 1 15 . 1 1 183 183 ALA HA H 173 4.150 4.150 4.025 0.125 18547 15011 1 15 . 1 1 183 183 ALA C C 173 181.500 181.500 179.309 2.191 18547 15012 1 15 . 1 1 183 183 ALA CA C 173 55.000 55.000 54.714 0.286 18547 15013 1 15 . 1 1 183 183 ALA CB C 173 17.100 17.100 17.978 -0.878 18547 15014 1 15 . 1 1 183 183 ALA H H 173 7.800 7.800 7.506 0.294 18547 15015 1 15 . 1 1 184 184 TRP N N 174 118.100 118.100 117.953 0.147 18547 15016 1 15 . 1 1 184 184 TRP HA H 174 4.540 4.540 4.254 0.286 18547 15017 1 15 . 1 1 184 184 TRP C C 174 178.500 178.500 178.523 -0.023 18547 15018 1 15 . 1 1 184 184 TRP CA C 174 60.600 60.600 60.008 0.592 18547 15019 1 15 . 1 1 184 184 TRP CB C 174 30.800 30.800 29.134 1.666 18547 15020 1 15 . 1 1 184 184 TRP H H 174 8.400 8.400 8.280 0.120 18547 15021 1 15 . 1 1 185 185 ALA N N 175 121.700 121.700 122.218 -0.518 18547 15022 1 15 . 1 1 185 185 ALA HA H 175 3.920 3.920 3.883 0.037 18547 15023 1 15 . 1 1 185 185 ALA C C 175 179.600 179.600 178.338 1.262 18547 15024 1 15 . 1 1 185 185 ALA CA C 175 55.600 55.600 54.665 0.935 18547 15025 1 15 . 1 1 185 185 ALA CB C 175 17.900 17.900 17.800 0.100 18547 15026 1 15 . 1 1 185 185 ALA H H 175 8.800 8.800 7.917 0.883 18547 15027 1 15 . 1 1 186 186 ALA N N 176 119.000 119.000 120.170 -1.170 18547 15028 1 15 . 1 1 186 186 ALA HA H 176 4.190 4.190 4.078 0.112 18547 15029 1 15 . 1 1 186 186 ALA C C 176 180.300 180.300 178.615 1.685 18547 15030 1 15 . 1 1 186 186 ALA CA C 176 54.800 54.800 54.096 0.704 18547 15031 1 15 . 1 1 186 186 ALA CB C 176 17.900 17.900 18.647 -0.747 18547 15032 1 15 . 1 1 186 186 ALA H H 176 7.860 7.860 7.355 0.505 18547 15033 1 15 . 1 1 187 187 LEU N N 177 118.500 118.500 118.072 0.428 18547 15034 1 15 . 1 1 187 187 LEU HA H 177 4.210 4.210 4.068 0.142 18547 15035 1 15 . 1 1 187 187 LEU C C 177 179.400 179.400 179.602 -0.202 18547 15036 1 15 . 1 1 187 187 LEU CA C 177 57.600 57.600 57.173 0.427 18547 15037 1 15 . 1 1 187 187 LEU CB C 177 42.700 42.700 42.033 0.667 18547 15038 1 15 . 1 1 187 187 LEU H H 177 7.460 7.460 7.865 -0.405 18547 15039 1 15 . 1 1 188 188 VAL N N 178 118.500 118.500 119.795 -1.295 18547 15040 1 15 . 1 1 188 188 VAL HA H 178 3.660 3.660 3.733 -0.073 18547 15041 1 15 . 1 1 188 188 VAL C C 178 177.600 177.600 177.312 0.288 18547 15042 1 15 . 1 1 188 188 VAL CA C 178 66.000 66.000 65.069 0.931 18547 15043 1 15 . 1 1 188 188 VAL CB C 178 32.400 32.400 32.129 0.271 18547 15044 1 15 . 1 1 188 188 VAL H H 178 8.640 8.640 7.967 0.673 18547 15045 1 15 . 1 1 189 189 HIS N N 179 116.000 116.000 117.080 -1.080 18547 15046 1 15 . 1 1 189 189 HIS HA H 179 4.780 4.780 4.421 0.359 18547 15047 1 15 . 1 1 189 189 HIS C C 179 175.300 175.300 175.727 -0.427 18547 15048 1 15 . 1 1 189 189 HIS CA C 179 56.200 56.200 57.231 -1.031 18547 15049 1 15 . 1 1 189 189 HIS CB C 179 28.500 28.500 29.890 -1.390 18547 15050 1 15 . 1 1 189 189 HIS H H 179 8.150 8.150 7.714 0.436 18547 15051 1 15 . 1 1 190 190 SER N N 180 115.000 115.000 114.181 0.819 18547 15052 1 15 . 1 1 190 190 SER HA H 180 4.480 4.480 4.703 -0.223 18547 15053 1 15 . 1 1 190 190 SER C C 180 175.100 175.100 173.069 2.031 18547 15054 1 15 . 1 1 190 190 SER CA C 180 59.500 59.500 57.652 1.848 18547 15055 1 15 . 1 1 190 190 SER CB C 180 64.000 64.000 66.203 -2.203 18547 15056 1 15 . 1 1 190 190 SER H H 180 7.820 7.820 7.767 0.053 18547 15057 1 15 . 1 1 191 191 GLY N N 181 111.100 111.100 108.066 3.034 18547 15058 1 15 . 1 1 191 191 GLY C C 181 173.400 173.400 173.261 0.139 18547 15059 1 15 . 1 1 191 191 GLY CA C 181 45.500 45.500 44.952 0.548 18547 15060 1 15 . 1 1 191 191 GLY H H 181 8.330 8.330 8.363 -0.033 18547 15061 1 16 . 1 1 12 12 ALA N N 2 125.600 125.600 122.309 3.291 18547 15062 1 16 . 1 1 12 12 ALA HA H 2 4.300 4.300 4.341 -0.041 18547 15063 1 16 . 1 1 12 12 ALA C C 2 177.600 177.600 178.541 -0.941 18547 15064 1 16 . 1 1 12 12 ALA CA C 2 52.600 52.600 53.247 -0.647 18547 15065 1 16 . 1 1 12 12 ALA CB C 2 19.200 19.200 19.116 0.084 18547 15066 1 16 . 1 1 12 12 ALA H H 2 8.380 8.380 8.002 0.378 18547 15067 1 16 . 1 1 13 13 SER N N 3 115.000 115.000 115.683 -0.683 18547 15068 1 16 . 1 1 13 13 SER HA H 3 4.390 4.390 4.340 0.050 18547 15069 1 16 . 1 1 13 13 SER C C 3 175.100 175.100 174.143 0.957 18547 15070 1 16 . 1 1 13 13 SER CA C 3 58.500 58.500 58.146 0.354 18547 15071 1 16 . 1 1 13 13 SER CB C 3 63.800 63.800 62.226 1.574 18547 15072 1 16 . 1 1 13 13 SER H H 3 8.250 8.250 8.123 0.127 18547 15073 1 16 . 1 1 14 14 GLY N N 4 110.700 110.700 114.868 -4.168 18547 15074 1 16 . 1 1 14 14 GLY C C 4 174.000 174.000 171.952 2.048 18547 15075 1 16 . 1 1 14 14 GLY CA C 4 45.400 45.400 45.554 -0.154 18547 15076 1 16 . 1 1 14 14 GLY H H 4 8.390 8.390 7.791 0.599 18547 15077 1 16 . 1 1 15 15 GLN N N 5 120.100 120.100 116.444 3.656 18547 15078 1 16 . 1 1 15 15 GLN HA H 5 4.310 4.310 4.528 -0.218 18547 15079 1 16 . 1 1 15 15 GLN C C 5 175.500 175.500 173.220 2.280 18547 15080 1 16 . 1 1 15 15 GLN CA C 5 55.600 55.600 55.150 0.450 18547 15081 1 16 . 1 1 15 15 GLN CB C 5 29.700 29.700 29.280 0.420 18547 15082 1 16 . 1 1 15 15 GLN H H 5 8.190 8.190 7.696 0.494 18547 15083 1 16 . 1 1 16 16 ALA N N 6 126.000 126.000 127.113 -1.113 18547 15084 1 16 . 1 1 16 16 ALA HA H 6 4.360 4.360 4.626 -0.266 18547 15085 1 16 . 1 1 16 16 ALA C C 6 177.300 177.300 175.989 1.311 18547 15086 1 16 . 1 1 16 16 ALA CA C 6 52.300 52.300 52.816 -0.516 18547 15087 1 16 . 1 1 16 16 ALA CB C 6 19.200 19.200 21.244 -2.044 18547 15088 1 16 . 1 1 16 16 ALA H H 6 8.400 8.400 7.840 0.560 18547 15089 1 16 . 1 1 17 17 THR N N 7 119.200 119.200 120.501 -1.301 18547 15090 1 16 . 1 1 17 17 THR HA H 7 4.370 4.370 4.654 -0.284 18547 15091 1 16 . 1 1 17 17 THR C C 7 173.600 173.600 173.832 -0.232 18547 15092 1 16 . 1 1 17 17 THR CA C 7 63.200 63.200 61.833 1.367 18547 15093 1 16 . 1 1 17 17 THR CB C 7 70.600 70.600 69.584 1.016 18547 15094 1 16 . 1 1 17 17 THR H H 7 8.180 8.180 8.313 -0.133 18547 15095 1 16 . 1 1 18 18 GLU N N 8 127.500 127.500 128.064 -0.564 18547 15096 1 16 . 1 1 18 18 GLU HA H 8 4.540 4.540 4.614 -0.074 18547 15097 1 16 . 1 1 18 18 GLU C C 8 174.200 174.200 174.704 -0.504 18547 15098 1 16 . 1 1 18 18 GLU CA C 8 55.100 55.100 54.390 0.710 18547 15099 1 16 . 1 1 18 18 GLU CB C 8 31.900 31.900 32.833 -0.933 18547 15100 1 16 . 1 1 18 18 GLU H H 8 8.810 8.810 8.486 0.324 18547 15101 1 16 . 1 1 19 19 ARG N N 9 122.100 122.100 124.943 -2.843 18547 15102 1 16 . 1 1 19 19 ARG HA H 9 5.060 5.060 5.345 -0.285 18547 15103 1 16 . 1 1 19 19 ARG C C 9 175.000 175.000 174.926 0.074 18547 15104 1 16 . 1 1 19 19 ARG CA C 9 54.800 54.800 54.643 0.157 18547 15105 1 16 . 1 1 19 19 ARG CB C 9 31.600 31.600 32.475 -0.875 18547 15106 1 16 . 1 1 19 19 ARG H H 9 8.070 8.070 8.466 -0.396 18547 15107 1 16 . 1 1 20 20 ALA N N 10 126.300 126.300 122.970 3.330 18547 15108 1 16 . 1 1 20 20 ALA HA H 10 4.640 4.640 4.617 0.023 18547 15109 1 16 . 1 1 20 20 ALA C C 10 173.800 173.800 174.749 -0.949 18547 15110 1 16 . 1 1 20 20 ALA CA C 10 51.100 51.100 51.538 -0.438 18547 15111 1 16 . 1 1 20 20 ALA CB C 10 22.800 22.800 21.367 1.433 18547 15112 1 16 . 1 1 20 20 ALA H H 10 9.390 9.390 8.395 0.995 18547 15113 1 16 . 1 1 21 21 LEU N N 11 117.500 117.500 118.728 -1.228 18547 15114 1 16 . 1 1 21 21 LEU HA H 11 5.790 5.790 5.286 0.504 18547 15115 1 16 . 1 1 21 21 LEU C C 11 178.100 178.100 176.386 1.714 18547 15116 1 16 . 1 1 21 21 LEU CA C 11 53.100 53.100 53.712 -0.612 18547 15117 1 16 . 1 1 21 21 LEU CB C 11 45.400 45.400 46.803 -1.403 18547 15118 1 16 . 1 1 21 21 LEU H H 11 8.280 8.280 8.331 -0.051 18547 15119 1 16 . 1 1 22 22 GLY N N 12 113.400 113.400 107.677 5.723 18547 15120 1 16 . 1 1 22 22 GLY C C 12 174.800 174.800 172.294 2.506 18547 15121 1 16 . 1 1 22 22 GLY CA C 12 44.500 44.500 45.657 -1.157 18547 15122 1 16 . 1 1 22 22 GLY H H 12 8.830 8.830 8.903 -0.073 18547 15123 1 16 . 1 1 23 23 ARG N N 13 119.600 119.600 119.499 0.101 18547 15124 1 16 . 1 1 23 23 ARG HA H 13 5.040 5.040 4.685 0.355 18547 15125 1 16 . 1 1 23 23 ARG C C 13 174.900 174.900 174.488 0.412 18547 15126 1 16 . 1 1 23 23 ARG CA C 13 55.800 55.800 54.741 1.059 18547 15127 1 16 . 1 1 23 23 ARG CB C 13 33.600 33.600 32.981 0.619 18547 15128 1 16 . 1 1 23 23 ARG H H 13 8.160 8.160 8.311 -0.151 18547 15129 1 16 . 1 1 24 24 ARG N N 14 121.900 121.900 120.262 1.638 18547 15130 1 16 . 1 1 24 24 ARG HA H 14 4.530 4.530 4.481 0.049 18547 15131 1 16 . 1 1 24 24 ARG C C 14 174.000 174.000 174.418 -0.418 18547 15132 1 16 . 1 1 24 24 ARG CA C 14 55.200 55.200 55.933 -0.733 18547 15133 1 16 . 1 1 24 24 ARG CB C 14 34.700 34.700 32.932 1.768 18547 15134 1 16 . 1 1 24 24 ARG H H 14 8.780 8.780 8.889 -0.109 18547 15135 1 16 . 1 1 25 25 THR N N 15 121.700 121.700 122.312 -0.612 18547 15136 1 16 . 1 1 25 25 THR HA H 15 4.420 4.420 4.687 -0.267 18547 15137 1 16 . 1 1 25 25 THR C C 15 173.700 173.700 174.931 -1.231 18547 15138 1 16 . 1 1 25 25 THR CA C 15 63.600 63.600 62.576 1.024 18547 15139 1 16 . 1 1 25 25 THR CB C 15 68.600 68.600 68.311 0.289 18547 15140 1 16 . 1 1 25 25 THR H H 15 8.800 8.800 8.493 0.307 18547 15141 1 16 . 1 1 26 26 ILE N N 16 124.200 124.200 123.777 0.423 18547 15142 1 16 . 1 1 26 26 ILE HA H 16 4.940 4.940 4.675 0.265 18547 15143 1 16 . 1 1 26 26 ILE CA C 16 59.300 59.300 58.356 0.944 18547 15144 1 16 . 1 1 26 26 ILE CB C 16 38.200 38.200 37.474 0.726 18547 15145 1 16 . 1 1 26 26 ILE H H 16 8.420 8.420 7.826 0.594 18547 15146 1 16 . 1 1 27 27 PRO HA H 17 4.180 4.180 4.147 0.033 18547 15147 1 16 . 1 1 27 27 PRO C C 17 178.100 178.100 177.365 0.735 18547 15148 1 16 . 1 1 27 27 PRO CA C 17 67.200 67.200 65.138 2.062 18547 15149 1 16 . 1 1 27 27 PRO CB C 17 30.700 30.700 31.529 -0.829 18547 15150 1 16 . 1 1 28 28 ALA N N 18 114.800 114.800 119.946 -5.146 18547 15151 1 16 . 1 1 28 28 ALA HA H 18 4.270 4.270 4.274 -0.004 18547 15152 1 16 . 1 1 28 28 ALA C C 18 177.000 177.000 177.485 -0.485 18547 15153 1 16 . 1 1 28 28 ALA CA C 18 53.100 53.100 53.351 -0.251 18547 15154 1 16 . 1 1 28 28 ALA CB C 18 19.500 19.500 19.397 0.103 18547 15155 1 16 . 1 1 28 28 ALA H H 18 8.060 8.060 8.115 -0.055 18547 15156 1 16 . 1 1 29 29 GLY N N 19 107.100 107.100 104.935 2.165 18547 15157 1 16 . 1 1 29 29 GLY C C 19 171.900 171.900 172.168 -0.268 18547 15158 1 16 . 1 1 29 29 GLY CA C 19 44.000 44.000 44.681 -0.681 18547 15159 1 16 . 1 1 29 29 GLY H H 19 8.140 8.140 7.388 0.752 18547 15160 1 16 . 1 1 30 30 GLU N N 20 120.000 120.000 120.875 -0.875 18547 15161 1 16 . 1 1 30 30 GLU HA H 20 4.320 4.320 4.086 0.234 18547 15162 1 16 . 1 1 30 30 GLU C C 20 175.600 175.600 175.775 -0.175 18547 15163 1 16 . 1 1 30 30 GLU CA C 20 57.300 57.300 57.169 0.132 18547 15164 1 16 . 1 1 30 30 GLU CB C 20 29.100 29.100 29.342 -0.242 18547 15165 1 16 . 1 1 30 30 GLU H H 20 8.380 8.380 8.488 -0.108 18547 15166 1 16 . 1 1 31 31 ALA N N 21 129.500 129.500 127.448 2.052 18547 15167 1 16 . 1 1 31 31 ALA HA H 21 4.610 4.610 4.654 -0.044 18547 15168 1 16 . 1 1 31 31 ALA C C 21 177.200 177.200 175.859 1.341 18547 15169 1 16 . 1 1 31 31 ALA CA C 21 51.200 51.200 50.776 0.424 18547 15170 1 16 . 1 1 31 31 ALA CB C 21 22.500 22.500 21.932 0.568 18547 15171 1 16 . 1 1 31 31 ALA H H 21 8.660 8.660 8.100 0.560 18547 15172 1 16 . 1 1 32 32 ARG N N 22 120.400 120.400 121.157 -0.757 18547 15173 1 16 . 1 1 32 32 ARG HA H 22 4.950 4.950 4.409 0.541 18547 15174 1 16 . 1 1 32 32 ARG C C 22 173.400 173.400 175.180 -1.780 18547 15175 1 16 . 1 1 32 32 ARG CA C 22 55.500 55.500 55.301 0.199 18547 15176 1 16 . 1 1 32 32 ARG CB C 22 32.500 32.500 32.194 0.306 18547 15177 1 16 . 1 1 32 32 ARG H H 22 8.090 8.090 8.159 -0.069 18547 15178 1 16 . 1 1 33 33 SER N N 23 113.800 113.800 116.824 -3.024 18547 15179 1 16 . 1 1 33 33 SER HA H 23 5.560 5.560 5.434 0.126 18547 15180 1 16 . 1 1 33 33 SER C C 23 174.500 174.500 173.800 0.700 18547 15181 1 16 . 1 1 33 33 SER CA C 23 55.600 55.600 56.137 -0.537 18547 15182 1 16 . 1 1 33 33 SER CB C 23 67.300 67.300 66.226 1.074 18547 15183 1 16 . 1 1 33 33 SER H H 23 8.080 8.080 8.221 -0.141 18547 15184 1 16 . 1 1 34 34 ILE N N 24 112.700 112.700 118.732 -6.032 18547 15185 1 16 . 1 1 34 34 ILE HA H 24 4.950 4.950 4.668 0.282 18547 15186 1 16 . 1 1 34 34 ILE C C 24 175.400 175.400 174.494 0.906 18547 15187 1 16 . 1 1 34 34 ILE CA C 24 58.300 58.300 60.085 -1.785 18547 15188 1 16 . 1 1 34 34 ILE CB C 24 39.900 39.900 39.380 0.520 18547 15189 1 16 . 1 1 34 34 ILE H H 24 7.980 7.980 8.337 -0.357 18547 15190 1 16 . 1 1 35 35 ILE N N 25 121.800 121.800 125.789 -3.989 18547 15191 1 16 . 1 1 35 35 ILE HA H 25 4.960 4.960 4.532 0.428 18547 15192 1 16 . 1 1 35 35 ILE C C 25 174.800 174.800 174.658 0.142 18547 15193 1 16 . 1 1 35 35 ILE CA C 25 60.700 60.700 60.103 0.597 18547 15194 1 16 . 1 1 35 35 ILE CB C 25 41.300 41.300 40.567 0.733 18547 15195 1 16 . 1 1 35 35 ILE H H 25 8.960 8.960 8.133 0.827 18547 15196 1 16 . 1 1 36 36 ILE N N 26 127.900 127.900 128.208 -0.308 18547 15197 1 16 . 1 1 36 36 ILE HA H 26 4.770 4.770 4.589 0.181 18547 15198 1 16 . 1 1 36 36 ILE C C 26 175.000 175.000 174.901 0.099 18547 15199 1 16 . 1 1 36 36 ILE CA C 26 59.900 59.900 60.473 -0.573 18547 15200 1 16 . 1 1 36 36 ILE CB C 26 42.100 42.100 38.641 3.459 18547 15201 1 16 . 1 1 36 36 ILE H H 26 9.210 9.210 8.600 0.610 18547 15202 1 16 . 1 1 37 37 ARG N N 27 124.100 124.100 127.500 -3.400 18547 15203 1 16 . 1 1 37 37 ARG HA H 27 5.850 5.850 5.291 0.559 18547 15204 1 16 . 1 1 37 37 ARG C C 27 176.200 176.200 175.552 0.648 18547 15205 1 16 . 1 1 37 37 ARG CA C 27 54.100 54.100 54.737 -0.637 18547 15206 1 16 . 1 1 37 37 ARG CB C 27 32.900 32.900 32.463 0.437 18547 15207 1 16 . 1 1 37 37 ARG H H 27 8.670 8.670 9.007 -0.337 18547 15208 1 16 . 1 1 38 38 GLN N N 28 122.900 122.900 120.865 2.035 18547 15209 1 16 . 1 1 38 38 GLN HA H 28 4.710 4.710 4.901 -0.191 18547 15210 1 16 . 1 1 38 38 GLN C C 28 173.200 173.200 173.799 -0.599 18547 15211 1 16 . 1 1 38 38 GLN CA C 28 54.400 54.400 55.228 -0.828 18547 15212 1 16 . 1 1 38 38 GLN CB C 28 35.200 35.200 33.192 2.008 18547 15213 1 16 . 1 1 38 38 GLN H H 28 9.310 9.310 8.604 0.706 18547 15214 1 16 . 1 1 39 39 ARG N N 29 121.400 121.400 127.132 -5.732 18547 15215 1 16 . 1 1 39 39 ARG HA H 29 5.260 5.260 4.906 0.354 18547 15216 1 16 . 1 1 39 39 ARG C C 29 175.400 175.400 174.814 0.586 18547 15217 1 16 . 1 1 39 39 ARG CA C 29 55.100 55.100 54.242 0.858 18547 15218 1 16 . 1 1 39 39 ARG CB C 29 32.500 32.500 30.762 1.738 18547 15219 1 16 . 1 1 39 39 ARG H H 29 8.510 8.510 8.140 0.370 18547 15220 1 16 . 1 1 40 40 TYR N N 30 120.000 120.000 124.982 -4.982 18547 15221 1 16 . 1 1 40 40 TYR HA H 30 4.600 4.600 4.457 0.143 18547 15222 1 16 . 1 1 40 40 TYR C C 30 175.600 175.600 175.938 -0.338 18547 15223 1 16 . 1 1 40 40 TYR CA C 30 56.900 56.900 57.977 -1.077 18547 15224 1 16 . 1 1 40 40 TYR CB C 30 42.700 42.700 39.725 2.975 18547 15225 1 16 . 1 1 40 40 TYR H H 30 9.140 9.140 8.985 0.155 18547 15226 1 16 . 1 1 41 41 ASP N N 31 126.400 126.400 123.586 2.814 18547 15227 1 16 . 1 1 41 41 ASP HA H 31 4.880 4.880 4.590 0.290 18547 15228 1 16 . 1 1 41 41 ASP C C 31 174.500 174.500 174.744 -0.244 18547 15229 1 16 . 1 1 41 41 ASP CA C 31 53.200 53.200 53.950 -0.750 18547 15230 1 16 . 1 1 41 41 ASP CB C 31 39.200 39.200 39.920 -0.720 18547 15231 1 16 . 1 1 41 41 ASP H H 31 9.140 9.140 8.461 0.679 18547 15232 1 16 . 1 1 42 42 ALA N N 32 123.100 123.100 122.452 0.648 18547 15233 1 16 . 1 1 42 42 ALA HA H 32 4.690 4.690 4.702 -0.012 18547 15234 1 16 . 1 1 42 42 ALA CA C 32 50.100 50.100 49.649 0.451 18547 15235 1 16 . 1 1 42 42 ALA CB C 32 20.200 20.200 20.465 -0.265 18547 15236 1 16 . 1 1 42 42 ALA H H 32 7.770 7.770 7.528 0.242 18547 15237 1 16 . 1 1 43 43 PRO HA H 33 4.650 4.650 4.529 0.121 18547 15238 1 16 . 1 1 43 43 PRO C C 33 178.100 178.100 177.291 0.809 18547 15239 1 16 . 1 1 43 43 PRO CA C 33 62.000 62.000 62.772 -0.772 18547 15240 1 16 . 1 1 43 43 PRO CB C 33 33.000 33.000 33.095 -0.095 18547 15241 1 16 . 1 1 44 44 VAL N N 34 123.500 123.500 120.281 3.219 18547 15242 1 16 . 1 1 44 44 VAL HA H 34 3.960 3.960 3.771 0.189 18547 15243 1 16 . 1 1 44 44 VAL C C 34 177.500 177.500 178.132 -0.632 18547 15244 1 16 . 1 1 44 44 VAL CA C 34 66.000 66.000 65.838 0.162 18547 15245 1 16 . 1 1 44 44 VAL CB C 34 32.000 32.000 31.820 0.180 18547 15246 1 16 . 1 1 44 44 VAL H H 34 8.570 8.570 8.573 -0.003 18547 15247 1 16 . 1 1 45 45 ASP N N 35 116.200 116.200 119.772 -3.572 18547 15248 1 16 . 1 1 45 45 ASP HA H 35 4.290 4.290 4.219 0.071 18547 15249 1 16 . 1 1 45 45 ASP C C 35 178.800 178.800 178.357 0.443 18547 15250 1 16 . 1 1 45 45 ASP CA C 35 57.500 57.500 58.586 -1.086 18547 15251 1 16 . 1 1 45 45 ASP CB C 35 40.400 40.400 40.122 0.278 18547 15252 1 16 . 1 1 45 45 ASP H H 35 8.520 8.520 8.732 -0.212 18547 15253 1 16 . 1 1 46 46 GLU N N 36 120.100 120.100 120.098 0.002 18547 15254 1 16 . 1 1 46 46 GLU HA H 36 4.260 4.260 4.171 0.089 18547 15255 1 16 . 1 1 46 46 GLU C C 36 179.000 179.000 178.567 0.433 18547 15256 1 16 . 1 1 46 46 GLU CA C 36 58.400 58.400 58.837 -0.437 18547 15257 1 16 . 1 1 46 46 GLU CB C 36 29.700 29.700 29.268 0.432 18547 15258 1 16 . 1 1 46 46 GLU H H 36 7.360 7.360 8.239 -0.879 18547 15259 1 16 . 1 1 47 47 VAL N N 37 121.800 121.800 120.060 1.740 18547 15260 1 16 . 1 1 47 47 VAL HA H 37 3.370 3.370 3.447 -0.077 18547 15261 1 16 . 1 1 47 47 VAL C C 37 177.100 177.100 177.802 -0.702 18547 15262 1 16 . 1 1 47 47 VAL CA C 37 66.900 66.900 65.934 0.966 18547 15263 1 16 . 1 1 47 47 VAL CB C 37 31.000 31.000 31.116 -0.116 18547 15264 1 16 . 1 1 47 47 VAL H H 37 7.680 7.680 7.770 -0.090 18547 15265 1 16 . 1 1 48 48 TRP N N 38 119.800 119.800 121.812 -2.012 18547 15266 1 16 . 1 1 48 48 TRP HA H 38 3.990 3.990 4.162 -0.172 18547 15267 1 16 . 1 1 48 48 TRP C C 38 180.700 180.700 178.455 2.245 18547 15268 1 16 . 1 1 48 48 TRP CA C 38 60.900 60.900 61.075 -0.174 18547 15269 1 16 . 1 1 48 48 TRP CB C 38 29.300 29.300 29.456 -0.156 18547 15270 1 16 . 1 1 48 48 TRP H H 38 9.160 9.160 8.107 1.053 18547 15271 1 16 . 1 1 49 49 SER N N 39 116.100 116.100 115.939 0.161 18547 15272 1 16 . 1 1 49 49 SER HA H 39 4.010 4.010 4.265 -0.255 18547 15273 1 16 . 1 1 49 49 SER C C 39 175.700 175.700 176.790 -1.090 18547 15274 1 16 . 1 1 49 49 SER CA C 39 62.700 62.700 61.826 0.874 18547 15275 1 16 . 1 1 49 49 SER CB C 39 62.700 62.700 63.124 -0.424 18547 15276 1 16 . 1 1 49 49 SER H H 39 8.230 8.230 8.018 0.212 18547 15277 1 16 . 1 1 50 50 ALA N N 40 122.300 122.300 124.086 -1.786 18547 15278 1 16 . 1 1 50 50 ALA HA H 40 4.020 4.020 4.216 -0.196 18547 15279 1 16 . 1 1 50 50 ALA C C 40 176.700 176.700 178.968 -2.268 18547 15280 1 16 . 1 1 50 50 ALA CA C 40 55.200 55.200 55.250 -0.050 18547 15281 1 16 . 1 1 50 50 ALA CB C 40 18.800 18.800 18.343 0.457 18547 15282 1 16 . 1 1 50 50 ALA H H 40 7.770 7.770 8.619 -0.849 18547 15283 1 16 . 1 1 51 51 CYS N N 41 109.400 109.400 113.173 -3.773 18547 15284 1 16 . 1 1 51 51 CYS HA H 41 4.510 4.510 4.643 -0.133 18547 15285 1 16 . 1 1 51 51 CYS C C 41 172.200 172.200 176.192 -3.992 18547 15286 1 16 . 1 1 51 51 CYS CA C 41 61.100 61.100 61.403 -0.303 18547 15287 1 16 . 1 1 51 51 CYS CB C 41 29.800 29.800 27.485 2.315 18547 15288 1 16 . 1 1 51 51 CYS H H 41 7.080 7.080 7.786 -0.706 18547 15289 1 16 . 1 1 52 52 THR N N 42 100.100 100.100 110.542 -10.442 18547 15290 1 16 . 1 1 52 52 THR HA H 42 4.240 4.240 4.248 -0.008 18547 15291 1 16 . 1 1 52 52 THR C C 42 173.500 173.500 174.639 -1.139 18547 15292 1 16 . 1 1 52 52 THR CA C 42 62.200 62.200 61.824 0.376 18547 15293 1 16 . 1 1 52 52 THR CB C 42 71.800 71.800 70.049 1.751 18547 15294 1 16 . 1 1 52 52 THR H H 42 6.800 6.800 7.355 -0.555 18547 15295 1 16 . 1 1 53 53 ASP N N 43 123.000 123.000 125.899 -2.899 18547 15296 1 16 . 1 1 53 53 ASP HA H 43 5.080 5.080 4.858 0.222 18547 15297 1 16 . 1 1 53 53 ASP CA C 43 50.600 50.600 53.535 -2.935 18547 15298 1 16 . 1 1 53 53 ASP CB C 43 42.000 42.000 40.825 1.175 18547 15299 1 16 . 1 1 53 53 ASP H H 43 8.040 8.040 7.897 0.143 18547 15300 1 16 . 1 1 54 54 PRO HA H 44 3.960 3.960 4.096 -0.136 18547 15301 1 16 . 1 1 54 54 PRO C C 44 176.300 176.300 178.110 -1.810 18547 15302 1 16 . 1 1 54 54 PRO CA C 44 65.900 65.900 65.657 0.243 18547 15303 1 16 . 1 1 54 54 PRO CB C 44 32.700 32.700 31.976 0.724 18547 15304 1 16 . 1 1 55 55 ASN N N 45 112.700 112.700 115.463 -2.763 18547 15305 1 16 . 1 1 55 55 ASN HA H 45 4.520 4.520 4.429 0.091 18547 15306 1 16 . 1 1 55 55 ASN C C 45 175.900 175.900 177.256 -1.356 18547 15307 1 16 . 1 1 55 55 ASN CA C 45 55.100 55.100 55.573 -0.473 18547 15308 1 16 . 1 1 55 55 ASN CB C 45 38.900 38.900 38.270 0.630 18547 15309 1 16 . 1 1 55 55 ASN H H 45 8.160 8.160 8.566 -0.406 18547 15310 1 16 . 1 1 56 56 ARG N N 46 117.700 117.700 118.244 -0.544 18547 15311 1 16 . 1 1 56 56 ARG HA H 46 4.250 4.250 4.154 0.096 18547 15312 1 16 . 1 1 56 56 ARG C C 46 177.100 177.100 178.652 -1.552 18547 15313 1 16 . 1 1 56 56 ARG CA C 46 58.400 58.400 58.829 -0.429 18547 15314 1 16 . 1 1 56 56 ARG CB C 46 31.800 31.800 30.142 1.658 18547 15315 1 16 . 1 1 56 56 ARG H H 46 7.940 7.940 8.310 -0.370 18547 15316 1 16 . 1 1 57 57 ILE N N 47 120.100 120.100 119.782 0.318 18547 15317 1 16 . 1 1 57 57 ILE HA H 47 3.420 3.420 3.128 0.292 18547 15318 1 16 . 1 1 57 57 ILE C C 47 177.400 177.400 177.306 0.094 18547 15319 1 16 . 1 1 57 57 ILE CA C 47 64.400 64.400 64.440 -0.040 18547 15320 1 16 . 1 1 57 57 ILE CB C 47 39.500 39.500 37.759 1.741 18547 15321 1 16 . 1 1 57 57 ILE H H 47 8.610 8.610 7.908 0.702 18547 15322 1 16 . 1 1 58 58 ASN N N 48 112.100 112.100 116.577 -4.477 18547 15323 1 16 . 1 1 58 58 ASN HA H 48 3.780 3.780 4.477 -0.697 18547 15324 1 16 . 1 1 58 58 ASN C C 48 175.300 175.300 176.316 -1.016 18547 15325 1 16 . 1 1 58 58 ASN CA C 48 54.400 54.400 54.800 -0.400 18547 15326 1 16 . 1 1 58 58 ASN CB C 48 38.200 38.200 37.781 0.419 18547 15327 1 16 . 1 1 58 58 ASN H H 48 7.440 7.440 7.989 -0.549 18547 15328 1 16 . 1 1 59 59 ARG N N 49 115.600 115.600 118.833 -3.233 18547 15329 1 16 . 1 1 59 59 ARG HA H 49 4.120 4.120 4.258 -0.138 18547 15330 1 16 . 1 1 59 59 ARG C C 49 174.700 174.700 176.617 -1.917 18547 15331 1 16 . 1 1 59 59 ARG CA C 49 55.900 55.900 57.560 -1.660 18547 15332 1 16 . 1 1 59 59 ARG CB C 49 29.900 29.900 30.406 -0.506 18547 15333 1 16 . 1 1 59 59 ARG H H 49 7.370 7.370 7.483 -0.113 18547 15334 1 16 . 1 1 60 60 TRP N N 50 112.500 112.500 115.084 -2.584 18547 15335 1 16 . 1 1 60 60 TRP HA H 50 4.860 4.860 4.771 0.089 18547 15336 1 16 . 1 1 60 60 TRP C C 50 173.400 173.400 174.236 -0.836 18547 15337 1 16 . 1 1 60 60 TRP CA C 50 55.800 55.800 55.782 0.018 18547 15338 1 16 . 1 1 60 60 TRP CB C 50 31.500 31.500 30.447 1.053 18547 15339 1 16 . 1 1 60 60 TRP H H 50 6.860 6.860 7.343 -0.483 18547 15340 1 16 . 1 1 61 61 PHE N N 51 126.400 126.400 117.668 8.732 18547 15341 1 16 . 1 1 61 61 PHE HA H 51 4.690 4.690 4.440 0.250 18547 15342 1 16 . 1 1 61 61 PHE C C 51 173.000 173.000 173.143 -0.143 18547 15343 1 16 . 1 1 61 61 PHE CA C 51 55.000 55.000 56.807 -1.807 18547 15344 1 16 . 1 1 61 61 PHE CB C 51 37.600 37.600 41.214 -3.614 18547 15345 1 16 . 1 1 61 61 PHE H H 51 7.830 7.830 7.260 0.570 18547 15346 1 16 . 1 1 62 62 ILE N N 52 126.800 126.800 121.611 5.189 18547 15347 1 16 . 1 1 62 62 ILE HA H 52 3.760 3.760 3.947 -0.187 18547 15348 1 16 . 1 1 62 62 ILE C C 52 172.600 172.600 174.639 -2.039 18547 15349 1 16 . 1 1 62 62 ILE CA C 52 59.900 59.900 60.607 -0.707 18547 15350 1 16 . 1 1 62 62 ILE CB C 52 41.600 41.600 38.030 3.570 18547 15351 1 16 . 1 1 62 62 ILE H H 52 6.010 6.010 7.143 -1.133 18547 15352 1 16 . 1 1 63 63 GLU N N 53 124.400 124.400 129.928 -5.528 18547 15353 1 16 . 1 1 63 63 GLU HA H 53 3.850 3.850 4.311 -0.461 18547 15354 1 16 . 1 1 63 63 GLU CA C 53 54.800 54.800 54.056 0.744 18547 15355 1 16 . 1 1 63 63 GLU CB C 53 31.700 31.700 30.183 1.517 18547 15356 1 16 . 1 1 63 63 GLU H H 53 8.280 8.280 8.492 -0.212 18547 15357 1 16 . 1 1 64 64 PRO HA H 54 4.920 4.920 4.729 0.191 18547 15358 1 16 . 1 1 64 64 PRO C C 54 175.500 175.500 176.295 -0.795 18547 15359 1 16 . 1 1 64 64 PRO CA C 54 62.000 62.000 62.235 -0.235 18547 15360 1 16 . 1 1 64 64 PRO CB C 54 31.800 31.800 32.461 -0.661 18547 15361 1 16 . 1 1 65 65 LYS N N 55 120.200 120.200 124.466 -4.266 18547 15362 1 16 . 1 1 65 65 LYS HA H 55 4.780 4.780 4.574 0.206 18547 15363 1 16 . 1 1 65 65 LYS C C 55 176.000 176.000 176.156 -0.156 18547 15364 1 16 . 1 1 65 65 LYS CA C 55 54.200 54.200 55.606 -1.406 18547 15365 1 16 . 1 1 65 65 LYS CB C 55 35.300 35.300 34.385 0.915 18547 15366 1 16 . 1 1 65 65 LYS H H 55 8.370 8.370 8.531 -0.161 18547 15367 1 16 . 1 1 66 66 GLY N N 56 109.400 109.400 109.412 -0.012 18547 15368 1 16 . 1 1 66 66 GLY C C 56 171.400 171.400 173.597 -2.197 18547 15369 1 16 . 1 1 66 66 GLY CA C 56 45.400 45.400 44.767 0.633 18547 15370 1 16 . 1 1 66 66 GLY H H 56 8.640 8.640 7.933 0.707 18547 15371 1 16 . 1 1 67 67 ASP N N 57 123.800 123.800 120.698 3.102 18547 15372 1 16 . 1 1 67 67 ASP HA H 57 4.900 4.900 4.603 0.297 18547 15373 1 16 . 1 1 67 67 ASP C C 57 175.600 175.600 177.244 -1.644 18547 15374 1 16 . 1 1 67 67 ASP CA C 57 52.400 52.400 54.716 -2.316 18547 15375 1 16 . 1 1 67 67 ASP CB C 57 40.700 40.700 41.572 -0.872 18547 15376 1 16 . 1 1 67 67 ASP H H 57 7.790 7.790 8.449 -0.659 18547 15377 1 16 . 1 1 68 68 LEU N N 58 122.800 122.800 113.742 9.058 18547 15378 1 16 . 1 1 68 68 LEU HA H 58 4.270 4.270 4.029 0.241 18547 15379 1 16 . 1 1 68 68 LEU C C 58 173.700 173.700 176.405 -2.705 18547 15380 1 16 . 1 1 68 68 LEU CA C 58 54.500 54.500 56.306 -1.806 18547 15381 1 16 . 1 1 68 68 LEU CB C 58 38.300 38.300 40.704 -2.404 18547 15382 1 16 . 1 1 68 68 LEU H H 58 8.330 8.330 7.926 0.404 18547 15383 1 16 . 1 1 69 69 ARG N N 59 121.800 121.800 118.279 3.521 18547 15384 1 16 . 1 1 69 69 ARG HA H 59 4.710 4.710 4.515 0.195 18547 15385 1 16 . 1 1 69 69 ARG CA C 59 54.100 54.100 53.673 0.427 18547 15386 1 16 . 1 1 69 69 ARG CB C 59 31.800 31.800 31.065 0.735 18547 15387 1 16 . 1 1 69 69 ARG H H 59 8.120 8.120 7.550 0.570 18547 15388 1 16 . 1 1 70 70 GLU N N 60 122.800 122.800 121.328 1.472 18547 15389 1 16 . 1 1 70 70 GLU HA H 60 3.870 3.870 4.022 -0.152 18547 15390 1 16 . 1 1 70 70 GLU C C 60 177.200 177.200 177.026 0.174 18547 15391 1 16 . 1 1 70 70 GLU CA C 60 60.000 60.000 57.977 2.023 18547 15392 1 16 . 1 1 70 70 GLU CB C 60 30.200 30.200 28.963 1.236 18547 15393 1 16 . 1 1 70 70 GLU H H 60 9.130 9.130 8.849 0.281 18547 15394 1 16 . 1 1 71 71 GLY N N 61 117.100 117.100 114.697 2.403 18547 15395 1 16 . 1 1 71 71 GLY C C 61 174.900 174.900 174.337 0.563 18547 15396 1 16 . 1 1 71 71 GLY CA C 61 45.600 45.600 44.644 0.956 18547 15397 1 16 . 1 1 71 71 GLY H H 61 8.710 8.710 8.347 0.363 18547 15398 1 16 . 1 1 72 72 GLY N N 62 110.300 110.300 110.073 0.227 18547 15399 1 16 . 1 1 72 72 GLY C C 62 174.200 174.200 172.458 1.742 18547 15400 1 16 . 1 1 72 72 GLY CA C 62 43.400 43.400 44.030 -0.630 18547 15401 1 16 . 1 1 72 72 GLY H H 62 8.760 8.760 8.194 0.566 18547 15402 1 16 . 1 1 73 73 ASN N N 63 117.800 117.800 115.806 1.994 18547 15403 1 16 . 1 1 73 73 ASN HA H 63 5.490 5.490 5.063 0.427 18547 15404 1 16 . 1 1 73 73 ASN C C 63 171.400 171.400 174.003 -2.603 18547 15405 1 16 . 1 1 73 73 ASN CA C 63 52.900 52.900 52.012 0.888 18547 15406 1 16 . 1 1 73 73 ASN CB C 63 41.500 41.500 41.532 -0.032 18547 15407 1 16 . 1 1 73 73 ASN H H 63 8.890 8.890 8.238 0.652 18547 15408 1 16 . 1 1 74 74 PHE N N 64 113.500 113.500 117.069 -3.569 18547 15409 1 16 . 1 1 74 74 PHE HA H 64 5.500 5.500 5.705 -0.205 18547 15410 1 16 . 1 1 74 74 PHE C C 64 173.200 173.200 173.917 -0.717 18547 15411 1 16 . 1 1 74 74 PHE CA C 64 55.900 55.900 55.080 0.820 18547 15412 1 16 . 1 1 74 74 PHE CB C 64 44.600 44.600 42.272 2.328 18547 15413 1 16 . 1 1 74 74 PHE H H 64 8.700 8.700 8.700 0.000 18547 15414 1 16 . 1 1 75 75 ALA N N 65 122.200 122.200 122.304 -0.104 18547 15415 1 16 . 1 1 75 75 ALA HA H 65 4.350 4.350 4.346 0.004 18547 15416 1 16 . 1 1 75 75 ALA C C 65 176.000 176.000 175.742 0.258 18547 15417 1 16 . 1 1 75 75 ALA CA C 65 52.500 52.500 51.801 0.699 18547 15418 1 16 . 1 1 75 75 ALA CB C 65 21.800 21.800 20.508 1.292 18547 15419 1 16 . 1 1 75 75 ALA H H 65 8.690 8.690 8.225 0.465 18547 15420 1 16 . 1 1 76 76 LEU N N 66 123.800 123.800 125.221 -1.421 18547 15421 1 16 . 1 1 76 76 LEU HA H 66 4.520 4.520 4.274 0.246 18547 15422 1 16 . 1 1 76 76 LEU C C 66 175.800 175.800 178.305 -2.505 18547 15423 1 16 . 1 1 76 76 LEU CA C 66 52.500 52.500 54.099 -1.599 18547 15424 1 16 . 1 1 76 76 LEU CB C 66 42.400 42.400 42.424 -0.024 18547 15425 1 16 . 1 1 76 76 LEU H H 66 8.350 8.350 8.477 -0.127 18547 15426 1 16 . 1 1 77 77 GLN N N 67 127.400 127.400 118.877 8.523 18547 15427 1 16 . 1 1 77 77 GLN HA H 67 3.900 3.900 4.081 -0.181 18547 15428 1 16 . 1 1 77 77 GLN C C 67 176.600 176.600 175.798 0.802 18547 15429 1 16 . 1 1 77 77 GLN CA C 67 57.800 57.800 57.127 0.673 18547 15430 1 16 . 1 1 77 77 GLN CB C 67 28.000 28.000 28.887 -0.887 18547 15431 1 16 . 1 1 77 77 GLN H H 67 8.590 8.590 8.476 0.114 18547 15432 1 16 . 1 1 78 78 GLY N N 68 114.800 114.800 105.529 9.271 18547 15433 1 16 . 1 1 78 78 GLY C C 68 173.700 173.700 173.018 0.682 18547 15434 1 16 . 1 1 78 78 GLY CA C 68 45.700 45.700 44.894 0.806 18547 15435 1 16 . 1 1 78 78 GLY H H 68 8.920 8.920 7.749 1.171 18547 15436 1 16 . 1 1 79 79 ASN N N 69 124.000 124.000 118.172 5.828 18547 15437 1 16 . 1 1 79 79 ASN HA H 69 4.600 4.600 4.636 -0.036 18547 15438 1 16 . 1 1 79 79 ASN C C 69 173.300 173.300 173.014 0.286 18547 15439 1 16 . 1 1 79 79 ASN CA C 69 52.900 52.900 53.418 -0.518 18547 15440 1 16 . 1 1 79 79 ASN CB C 69 41.600 41.600 39.989 1.611 18547 15441 1 16 . 1 1 79 79 ASN H H 69 8.360 8.360 8.210 0.150 18547 15442 1 16 . 1 1 80 80 ALA N N 70 127.200 127.200 119.296 7.904 18547 15443 1 16 . 1 1 80 80 ALA HA H 70 4.170 4.170 4.473 -0.303 18547 15444 1 16 . 1 1 80 80 ALA C C 70 174.500 174.500 174.558 -0.058 18547 15445 1 16 . 1 1 80 80 ALA CA C 70 52.500 52.500 50.798 1.702 18547 15446 1 16 . 1 1 80 80 ALA CB C 70 18.600 18.600 21.152 -2.552 18547 15447 1 16 . 1 1 80 80 ALA H H 70 8.930 8.930 7.477 1.453 18547 15448 1 16 . 1 1 81 81 SER N N 71 111.000 111.000 113.317 -2.317 18547 15449 1 16 . 1 1 81 81 SER HA H 71 4.170 4.170 4.169 0.001 18547 15450 1 16 . 1 1 81 81 SER C C 71 170.900 170.900 172.984 -2.084 18547 15451 1 16 . 1 1 81 81 SER CA C 71 56.300 56.300 57.153 -0.853 18547 15452 1 16 . 1 1 81 81 SER CB C 71 66.600 66.600 65.609 0.991 18547 15453 1 16 . 1 1 81 81 SER H H 71 7.980 7.980 7.900 0.080 18547 15454 1 16 . 1 1 82 82 GLY N N 72 102.700 102.700 109.020 -6.320 18547 15455 1 16 . 1 1 82 82 GLY C C 72 171.700 171.700 171.379 0.321 18547 15456 1 16 . 1 1 82 82 GLY CA C 72 46.200 46.200 44.456 1.744 18547 15457 1 16 . 1 1 82 82 GLY H H 72 6.940 6.940 7.185 -0.245 18547 15458 1 16 . 1 1 83 83 ASP N N 73 117.900 117.900 119.118 -1.218 18547 15459 1 16 . 1 1 83 83 ASP HA H 73 5.430 5.430 4.936 0.494 18547 15460 1 16 . 1 1 83 83 ASP C C 73 176.100 176.100 176.485 -0.385 18547 15461 1 16 . 1 1 83 83 ASP CA C 73 52.700 52.700 53.834 -1.134 18547 15462 1 16 . 1 1 83 83 ASP CB C 73 43.600 43.600 42.721 0.879 18547 15463 1 16 . 1 1 83 83 ASP H H 73 8.770 8.770 8.388 0.382 18547 15464 1 16 . 1 1 84 84 ILE N N 74 120.200 120.200 122.661 -2.461 18547 15465 1 16 . 1 1 84 84 ILE HA H 74 4.530 4.530 4.312 0.218 18547 15466 1 16 . 1 1 84 84 ILE C C 74 175.600 175.600 176.661 -1.061 18547 15467 1 16 . 1 1 84 84 ILE CA C 74 61.700 61.700 59.350 2.350 18547 15468 1 16 . 1 1 84 84 ILE CB C 74 36.700 36.700 35.670 1.030 18547 15469 1 16 . 1 1 84 84 ILE H H 74 8.060 8.060 8.455 -0.395 18547 15470 1 16 . 1 1 85 85 LEU N N 75 130.400 130.400 127.928 2.472 18547 15471 1 16 . 1 1 85 85 LEU HA H 75 4.330 4.330 4.155 0.175 18547 15472 1 16 . 1 1 85 85 LEU C C 75 178.100 178.100 177.464 0.636 18547 15473 1 16 . 1 1 85 85 LEU CA C 75 57.000 57.000 57.298 -0.298 18547 15474 1 16 . 1 1 85 85 LEU CB C 75 42.000 42.000 42.562 -0.562 18547 15475 1 16 . 1 1 85 85 LEU H H 75 8.710 8.710 8.178 0.532 18547 15476 1 16 . 1 1 86 86 ARG N N 76 115.700 115.700 113.416 2.284 18547 15477 1 16 . 1 1 86 86 ARG HA H 76 4.840 4.840 4.680 0.160 18547 15478 1 16 . 1 1 86 86 ARG C C 76 174.900 174.900 173.658 1.242 18547 15479 1 16 . 1 1 86 86 ARG CA C 76 54.700 54.700 55.086 -0.386 18547 15480 1 16 . 1 1 86 86 ARG CB C 76 33.900 33.900 32.866 1.034 18547 15481 1 16 . 1 1 86 86 ARG H H 76 8.130 8.130 7.881 0.249 18547 15482 1 16 . 1 1 87 87 CYS N N 77 127.100 127.100 118.664 8.436 18547 15483 1 16 . 1 1 87 87 CYS HA H 77 5.130 5.130 5.278 -0.148 18547 15484 1 16 . 1 1 87 87 CYS C C 77 171.700 171.700 174.030 -2.330 18547 15485 1 16 . 1 1 87 87 CYS CA C 77 54.600 54.600 56.963 -2.363 18547 15486 1 16 . 1 1 87 87 CYS CB C 77 33.000 33.000 31.091 1.909 18547 15487 1 16 . 1 1 87 87 CYS H H 77 10.630 10.630 9.071 1.559 18547 15488 1 16 . 1 1 88 88 GLU N N 78 128.200 128.200 123.262 4.938 18547 15489 1 16 . 1 1 88 88 GLU HA H 78 4.950 4.950 4.816 0.134 18547 15490 1 16 . 1 1 88 88 GLU CA C 78 52.100 52.100 53.183 -1.083 18547 15491 1 16 . 1 1 88 88 GLU CB C 78 30.500 30.500 31.658 -1.158 18547 15492 1 16 . 1 1 88 88 GLU H H 78 9.460 9.460 9.043 0.417 18547 15493 1 16 . 1 1 89 89 PRO HA H 79 2.780 2.780 3.670 -0.890 18547 15494 1 16 . 1 1 89 89 PRO CA C 79 60.500 60.500 61.133 -0.633 18547 15495 1 16 . 1 1 89 89 PRO CB C 79 31.600 31.600 31.270 0.330 18547 15496 1 16 . 1 1 90 90 PRO HA H 80 2.250 2.250 3.081 -0.831 18547 15497 1 16 . 1 1 90 90 PRO C C 80 171.400 171.400 175.871 -4.471 18547 15498 1 16 . 1 1 90 90 PRO CA C 80 63.700 63.700 61.618 2.082 18547 15499 1 16 . 1 1 90 90 PRO CB C 80 30.500 30.500 32.254 -1.754 18547 15500 1 16 . 1 1 91 91 ARG N N 81 113.700 113.700 119.662 -5.962 18547 15501 1 16 . 1 1 91 91 ARG HA H 81 4.700 4.700 4.079 0.621 18547 15502 1 16 . 1 1 91 91 ARG C C 81 176.500 176.500 175.515 0.985 18547 15503 1 16 . 1 1 91 91 ARG CA C 81 57.400 57.400 57.821 -0.421 18547 15504 1 16 . 1 1 91 91 ARG CB C 81 34.200 34.200 31.503 2.697 18547 15505 1 16 . 1 1 91 91 ARG H H 81 7.640 7.640 7.465 0.175 18547 15506 1 16 . 1 1 92 92 ARG N N 82 121.000 121.000 117.968 3.032 18547 15507 1 16 . 1 1 92 92 ARG HA H 82 5.700 5.700 5.551 0.149 18547 15508 1 16 . 1 1 92 92 ARG C C 82 172.700 172.700 173.875 -1.175 18547 15509 1 16 . 1 1 92 92 ARG CA C 82 55.900 55.900 54.503 1.397 18547 15510 1 16 . 1 1 92 92 ARG CB C 82 34.100 34.100 34.149 -0.049 18547 15511 1 16 . 1 1 92 92 ARG H H 82 7.710 7.710 8.078 -0.368 18547 15512 1 16 . 1 1 93 93 LEU N N 83 130.800 130.800 127.877 2.923 18547 15513 1 16 . 1 1 93 93 LEU HA H 83 5.250 5.250 4.964 0.286 18547 15514 1 16 . 1 1 93 93 LEU C C 83 174.000 174.000 174.472 -0.472 18547 15515 1 16 . 1 1 93 93 LEU CA C 83 53.700 53.700 54.297 -0.597 18547 15516 1 16 . 1 1 93 93 LEU CB C 83 47.100 47.100 45.819 1.281 18547 15517 1 16 . 1 1 93 93 LEU H H 83 9.080 9.080 9.101 -0.021 18547 15518 1 16 . 1 1 94 94 THR N N 84 124.200 124.200 124.931 -0.731 18547 15519 1 16 . 1 1 94 94 THR HA H 84 5.340 5.340 5.382 -0.042 18547 15520 1 16 . 1 1 94 94 THR C C 84 174.100 174.100 174.015 0.085 18547 15521 1 16 . 1 1 94 94 THR CA C 84 62.700 62.700 61.563 1.137 18547 15522 1 16 . 1 1 94 94 THR CB C 84 69.600 69.600 69.471 0.129 18547 15523 1 16 . 1 1 94 94 THR H H 84 9.310 9.310 8.523 0.787 18547 15524 1 16 . 1 1 95 95 ILE N N 85 121.600 121.600 123.222 -1.622 18547 15525 1 16 . 1 1 95 95 ILE HA H 85 5.630 5.630 5.147 0.483 18547 15526 1 16 . 1 1 95 95 ILE C C 85 175.000 175.000 174.447 0.553 18547 15527 1 16 . 1 1 95 95 ILE CA C 85 59.300 59.300 58.474 0.826 18547 15528 1 16 . 1 1 95 95 ILE CB C 85 40.900 40.900 40.972 -0.072 18547 15529 1 16 . 1 1 95 95 ILE H H 85 9.700 9.700 8.123 1.577 18547 15530 1 16 . 1 1 96 96 SER N N 86 117.900 117.900 115.260 2.640 18547 15531 1 16 . 1 1 96 96 SER HA H 86 5.270 5.270 5.003 0.267 18547 15532 1 16 . 1 1 96 96 SER C C 86 172.200 172.200 173.628 -1.428 18547 15533 1 16 . 1 1 96 96 SER CA C 86 57.600 57.600 58.122 -0.522 18547 15534 1 16 . 1 1 96 96 SER CB C 86 65.700 65.700 65.039 0.661 18547 15535 1 16 . 1 1 96 96 SER H H 86 9.290 9.290 8.617 0.673 18547 15536 1 16 . 1 1 97 97 TRP N N 87 120.000 120.000 127.451 -7.451 18547 15537 1 16 . 1 1 97 97 TRP HA H 87 5.130 5.130 5.213 -0.083 18547 15538 1 16 . 1 1 97 97 TRP C C 87 175.500 175.500 173.918 1.582 18547 15539 1 16 . 1 1 97 97 TRP CA C 87 57.900 57.900 56.683 1.217 18547 15540 1 16 . 1 1 97 97 TRP CB C 87 31.500 31.500 32.333 -0.833 18547 15541 1 16 . 1 1 97 97 TRP H H 87 7.790 7.790 9.275 -1.485 18547 15542 1 16 . 1 1 98 98 VAL N N 88 132.200 132.200 129.785 2.415 18547 15543 1 16 . 1 1 98 98 VAL HA H 88 4.460 4.460 4.371 0.089 18547 15544 1 16 . 1 1 98 98 VAL C C 88 175.100 175.100 174.588 0.512 18547 15545 1 16 . 1 1 98 98 VAL CA C 88 62.000 62.000 60.748 1.252 18547 15546 1 16 . 1 1 98 98 VAL CB C 88 32.500 32.500 31.282 1.218 18547 15547 1 16 . 1 1 98 98 VAL H H 88 9.620 9.620 8.053 1.567 18547 15548 1 16 . 1 1 99 99 TYR N N 89 130.300 130.300 129.087 1.213 18547 15549 1 16 . 1 1 99 99 TYR HA H 89 4.440 4.440 4.651 -0.211 18547 15550 1 16 . 1 1 99 99 TYR C C 89 173.900 173.900 175.951 -2.051 18547 15551 1 16 . 1 1 99 99 TYR CA C 89 56.800 56.800 56.426 0.374 18547 15552 1 16 . 1 1 99 99 TYR CB C 89 42.100 42.100 41.123 0.977 18547 15553 1 16 . 1 1 99 99 TYR H H 89 9.670 9.670 8.379 1.291 18547 15554 1 16 . 1 1 100 100 GLU N N 90 127.100 127.100 123.715 3.385 18547 15555 1 16 . 1 1 100 100 GLU HA H 90 3.940 3.940 3.932 0.008 18547 15556 1 16 . 1 1 100 100 GLU C C 90 176.700 176.700 176.695 0.005 18547 15557 1 16 . 1 1 100 100 GLU CA C 90 58.300 58.300 57.747 0.553 18547 15558 1 16 . 1 1 100 100 GLU CB C 90 29.200 29.200 28.655 0.545 18547 15559 1 16 . 1 1 100 100 GLU H H 90 8.080 8.080 7.431 0.649 18547 15560 1 16 . 1 1 101 101 GLY N N 91 113.100 113.100 111.593 1.507 18547 15561 1 16 . 1 1 101 101 GLY C C 91 173.900 173.900 174.512 -0.612 18547 15562 1 16 . 1 1 101 101 GLY CA C 91 45.200 45.200 45.880 -0.680 18547 15563 1 16 . 1 1 101 101 GLY H H 91 8.850 8.850 8.519 0.331 18547 15564 1 16 . 1 1 102 102 LYS N N 92 120.100 120.100 121.687 -1.587 18547 15565 1 16 . 1 1 102 102 LYS HA H 92 4.990 4.990 4.921 0.069 18547 15566 1 16 . 1 1 102 102 LYS CA C 92 52.500 52.500 52.898 -0.398 18547 15567 1 16 . 1 1 102 102 LYS CB C 92 33.200 33.200 33.100 0.100 18547 15568 1 16 . 1 1 102 102 LYS H H 92 8.270 8.270 7.542 0.728 18547 15569 1 16 . 1 1 103 103 PRO HA H 93 4.620 4.620 4.579 0.041 18547 15570 1 16 . 1 1 103 103 PRO C C 93 176.700 176.700 176.595 0.105 18547 15571 1 16 . 1 1 103 103 PRO CA C 93 62.400 62.400 62.381 0.019 18547 15572 1 16 . 1 1 103 103 PRO CB C 93 31.400 31.400 32.297 -0.897 18547 15573 1 16 . 1 1 104 104 ASP N N 94 124.500 124.500 118.572 5.928 18547 15574 1 16 . 1 1 104 104 ASP HA H 94 4.860 4.860 4.930 -0.070 18547 15575 1 16 . 1 1 104 104 ASP C C 94 177.100 177.100 176.416 0.684 18547 15576 1 16 . 1 1 104 104 ASP CA C 94 55.900 55.900 55.975 -0.075 18547 15577 1 16 . 1 1 104 104 ASP CB C 94 40.500 40.500 41.565 -1.065 18547 15578 1 16 . 1 1 104 104 ASP H H 94 8.850 8.850 8.478 0.372 18547 15579 1 16 . 1 1 105 105 SER N N 95 118.600 118.600 115.697 2.903 18547 15580 1 16 . 1 1 105 105 SER HA H 95 5.280 5.280 4.962 0.318 18547 15581 1 16 . 1 1 105 105 SER C C 95 173.700 173.700 172.315 1.385 18547 15582 1 16 . 1 1 105 105 SER CA C 95 57.900 57.900 56.885 1.015 18547 15583 1 16 . 1 1 105 105 SER CB C 95 65.600 65.600 67.148 -1.548 18547 15584 1 16 . 1 1 105 105 SER H H 95 9.260 9.260 8.551 0.709 18547 15585 1 16 . 1 1 106 106 GLU N N 96 124.100 124.100 122.410 1.690 18547 15586 1 16 . 1 1 106 106 GLU HA H 96 5.180 5.180 4.867 0.313 18547 15587 1 16 . 1 1 106 106 GLU C C 96 172.400 172.400 175.085 -2.685 18547 15588 1 16 . 1 1 106 106 GLU CA C 96 57.200 57.200 54.500 2.700 18547 15589 1 16 . 1 1 106 106 GLU CB C 96 36.100 36.100 32.463 3.637 18547 15590 1 16 . 1 1 106 106 GLU H H 96 8.620 8.620 8.354 0.266 18547 15591 1 16 . 1 1 107 107 VAL N N 97 128.100 128.100 127.939 0.161 18547 15592 1 16 . 1 1 107 107 VAL HA H 97 4.770 4.770 4.076 0.694 18547 15593 1 16 . 1 1 107 107 VAL C C 97 173.100 173.100 174.617 -1.517 18547 15594 1 16 . 1 1 107 107 VAL CA C 97 60.100 60.100 61.718 -1.618 18547 15595 1 16 . 1 1 107 107 VAL CB C 97 34.200 34.200 32.701 1.499 18547 15596 1 16 . 1 1 107 107 VAL H H 97 9.180 9.180 8.306 0.874 18547 15597 1 16 . 1 1 108 108 GLU N N 98 126.200 126.200 127.327 -1.127 18547 15598 1 16 . 1 1 108 108 GLU HA H 98 5.580 5.580 4.638 0.942 18547 15599 1 16 . 1 1 108 108 GLU C C 98 172.100 172.100 174.336 -2.236 18547 15600 1 16 . 1 1 108 108 GLU CA C 98 54.200 54.200 54.464 -0.264 18547 15601 1 16 . 1 1 108 108 GLU CB C 98 35.200 35.200 31.558 3.642 18547 15602 1 16 . 1 1 108 108 GLU H H 98 9.300 9.300 8.798 0.502 18547 15603 1 16 . 1 1 109 109 LEU N N 99 128.600 128.600 127.516 1.084 18547 15604 1 16 . 1 1 109 109 LEU HA H 99 5.080 5.080 4.513 0.567 18547 15605 1 16 . 1 1 109 109 LEU C C 99 175.100 175.100 174.219 0.881 18547 15606 1 16 . 1 1 109 109 LEU CA C 99 52.700 52.700 53.727 -1.027 18547 15607 1 16 . 1 1 109 109 LEU CB C 99 46.400 46.400 44.249 2.151 18547 15608 1 16 . 1 1 109 109 LEU H H 99 9.330 9.330 8.774 0.556 18547 15609 1 16 . 1 1 110 110 ARG N N 100 124.700 124.700 127.852 -3.152 18547 15610 1 16 . 1 1 110 110 ARG HA H 100 5.390 5.390 5.133 0.257 18547 15611 1 16 . 1 1 110 110 ARG C C 100 175.400 175.400 174.238 1.162 18547 15612 1 16 . 1 1 110 110 ARG CA C 100 54.600 54.600 54.446 0.154 18547 15613 1 16 . 1 1 110 110 ARG CB C 100 34.100 34.100 33.786 0.314 18547 15614 1 16 . 1 1 110 110 ARG H H 100 9.430 9.430 8.407 1.023 18547 15615 1 16 . 1 1 111 111 LEU N N 101 122.900 122.900 126.666 -3.766 18547 15616 1 16 . 1 1 111 111 LEU HA H 101 5.620 5.620 5.599 0.021 18547 15617 1 16 . 1 1 111 111 LEU C C 101 177.100 177.100 175.401 1.699 18547 15618 1 16 . 1 1 111 111 LEU CA C 101 53.000 53.000 53.558 -0.558 18547 15619 1 16 . 1 1 111 111 LEU CB C 101 44.900 44.900 45.962 -1.062 18547 15620 1 16 . 1 1 111 111 LEU H H 101 9.120 9.120 8.707 0.413 18547 15621 1 16 . 1 1 112 112 SER N N 102 113.800 113.800 115.909 -2.109 18547 15622 1 16 . 1 1 112 112 SER HA H 102 4.690 4.690 4.701 -0.011 18547 15623 1 16 . 1 1 112 112 SER C C 102 172.700 172.700 172.561 0.139 18547 15624 1 16 . 1 1 112 112 SER CA C 102 57.000 57.000 56.328 0.672 18547 15625 1 16 . 1 1 112 112 SER CB C 102 65.700 65.700 65.652 0.048 18547 15626 1 16 . 1 1 112 112 SER H H 102 8.770 8.770 8.766 0.004 18547 15627 1 16 . 1 1 113 113 GLU N N 103 123.400 123.400 121.423 1.977 18547 15628 1 16 . 1 1 113 113 GLU HA H 103 4.440 4.440 4.614 -0.174 18547 15629 1 16 . 1 1 113 113 GLU C C 103 176.600 176.600 175.451 1.149 18547 15630 1 16 . 1 1 113 113 GLU CA C 103 57.500 57.500 55.669 1.831 18547 15631 1 16 . 1 1 113 113 GLU CB C 103 30.200 30.200 31.207 -1.007 18547 15632 1 16 . 1 1 113 113 GLU H H 103 9.200 9.200 8.530 0.670 18547 15633 1 16 . 1 1 114 114 GLU N N 104 126.500 126.500 126.639 -0.139 18547 15634 1 16 . 1 1 114 114 GLU HA H 104 4.450 4.450 4.699 -0.249 18547 15635 1 16 . 1 1 114 114 GLU C C 104 175.600 175.600 176.368 -0.768 18547 15636 1 16 . 1 1 114 114 GLU CA C 104 55.700 55.700 55.376 0.324 18547 15637 1 16 . 1 1 114 114 GLU CB C 104 31.300 31.300 31.872 -0.572 18547 15638 1 16 . 1 1 114 114 GLU H H 104 8.110 8.110 8.713 -0.603 18547 15639 1 16 . 1 1 115 115 GLY N N 105 118.000 118.000 116.039 1.961 18547 15640 1 16 . 1 1 115 115 GLY C C 105 174.700 174.700 174.616 0.084 18547 15641 1 16 . 1 1 115 115 GLY CA C 105 47.100 47.100 47.338 -0.238 18547 15642 1 16 . 1 1 115 115 GLY H H 105 9.030 9.030 8.917 0.113 18547 15643 1 16 . 1 1 116 116 ASP N N 106 126.200 126.200 125.999 0.201 18547 15644 1 16 . 1 1 116 116 ASP HA H 106 4.750 4.750 4.913 -0.163 18547 15645 1 16 . 1 1 116 116 ASP C C 106 175.600 175.600 175.387 0.213 18547 15646 1 16 . 1 1 116 116 ASP CA C 106 54.300 54.300 53.662 0.638 18547 15647 1 16 . 1 1 116 116 ASP CB C 106 40.800 40.800 42.129 -1.329 18547 15648 1 16 . 1 1 116 116 ASP H H 106 8.800 8.800 8.502 0.298 18547 15649 1 16 . 1 1 117 117 GLY N N 107 109.500 109.500 106.462 3.038 18547 15650 1 16 . 1 1 117 117 GLY C C 107 174.400 174.400 172.542 1.858 18547 15651 1 16 . 1 1 117 117 GLY CA C 107 44.800 44.800 44.357 0.443 18547 15652 1 16 . 1 1 117 117 GLY H H 107 8.040 8.040 7.823 0.217 18547 15653 1 16 . 1 1 118 118 THR N N 108 120.400 120.400 115.315 5.085 18547 15654 1 16 . 1 1 118 118 THR HA H 108 4.970 4.970 5.169 -0.199 18547 15655 1 16 . 1 1 118 118 THR C C 108 173.000 173.000 172.943 0.057 18547 15656 1 16 . 1 1 118 118 THR CA C 108 63.500 63.500 61.486 2.014 18547 15657 1 16 . 1 1 118 118 THR CB C 108 73.000 73.000 72.097 0.903 18547 15658 1 16 . 1 1 118 118 THR H H 108 9.010 9.010 8.555 0.455 18547 15659 1 16 . 1 1 119 119 LEU N N 109 129.000 129.000 126.262 2.738 18547 15660 1 16 . 1 1 119 119 LEU HA H 109 4.790 4.790 5.020 -0.230 18547 15661 1 16 . 1 1 119 119 LEU C C 109 173.500 173.500 174.457 -0.957 18547 15662 1 16 . 1 1 119 119 LEU CA C 109 54.300 54.300 53.503 0.797 18547 15663 1 16 . 1 1 119 119 LEU CB C 109 42.900 42.900 45.018 -2.118 18547 15664 1 16 . 1 1 119 119 LEU H H 109 9.410 9.410 8.362 1.048 18547 15665 1 16 . 1 1 120 120 LEU N N 110 132.200 132.200 128.712 3.488 18547 15666 1 16 . 1 1 120 120 LEU HA H 110 4.820 4.820 5.346 -0.526 18547 15667 1 16 . 1 1 120 120 LEU C C 110 174.100 174.100 174.915 -0.815 18547 15668 1 16 . 1 1 120 120 LEU CA C 110 54.900 54.900 53.621 1.279 18547 15669 1 16 . 1 1 120 120 LEU CB C 110 45.300 45.300 44.520 0.780 18547 15670 1 16 . 1 1 120 120 LEU H H 110 9.430 9.430 8.792 0.638 18547 15671 1 16 . 1 1 121 121 GLU N N 111 125.800 125.800 126.565 -0.765 18547 15672 1 16 . 1 1 121 121 GLU HA H 111 5.530 5.530 4.885 0.645 18547 15673 1 16 . 1 1 121 121 GLU C C 111 173.500 173.500 175.007 -1.507 18547 15674 1 16 . 1 1 121 121 GLU CA C 111 54.500 54.500 54.800 -0.300 18547 15675 1 16 . 1 1 121 121 GLU CB C 111 33.100 33.100 31.034 2.066 18547 15676 1 16 . 1 1 121 121 GLU H H 111 8.970 8.970 8.623 0.347 18547 15677 1 16 . 1 1 122 122 LEU N N 112 127.300 127.300 128.214 -0.914 18547 15678 1 16 . 1 1 122 122 LEU HA H 112 5.030 5.030 5.062 -0.032 18547 15679 1 16 . 1 1 122 122 LEU C C 112 173.700 173.700 174.985 -1.285 18547 15680 1 16 . 1 1 122 122 LEU CA C 112 53.200 53.200 53.314 -0.114 18547 15681 1 16 . 1 1 122 122 LEU CB C 112 45.400 45.400 44.079 1.321 18547 15682 1 16 . 1 1 122 122 LEU H H 112 8.950 8.950 8.878 0.072 18547 15683 1 16 . 1 1 123 123 GLU N N 113 127.900 127.900 128.928 -1.028 18547 15684 1 16 . 1 1 123 123 GLU HA H 113 5.750 5.750 5.010 0.740 18547 15685 1 16 . 1 1 123 123 GLU C C 113 174.200 174.200 174.648 -0.448 18547 15686 1 16 . 1 1 123 123 GLU CA C 113 52.900 52.900 54.544 -1.644 18547 15687 1 16 . 1 1 123 123 GLU CB C 113 33.300 33.300 31.940 1.360 18547 15688 1 16 . 1 1 123 123 GLU H H 113 9.350 9.350 8.386 0.964 18547 15689 1 16 . 1 1 124 124 HIS N N 114 128.200 128.200 127.598 0.602 18547 15690 1 16 . 1 1 124 124 HIS HA H 114 5.240 5.240 4.994 0.246 18547 15691 1 16 . 1 1 124 124 HIS C C 114 173.900 173.900 173.164 0.736 18547 15692 1 16 . 1 1 124 124 HIS CA C 114 54.300 54.300 54.454 -0.154 18547 15693 1 16 . 1 1 124 124 HIS CB C 114 34.600 34.600 32.675 1.925 18547 15694 1 16 . 1 1 124 124 HIS H H 114 8.770 8.770 8.464 0.306 18547 15695 1 16 . 1 1 125 125 ALA N N 115 128.600 128.600 130.886 -2.286 18547 15696 1 16 . 1 1 125 125 ALA HA H 115 5.150 5.150 5.324 -0.174 18547 15697 1 16 . 1 1 125 125 ALA C C 115 175.400 175.400 175.767 -0.367 18547 15698 1 16 . 1 1 125 125 ALA CA C 115 50.100 50.100 50.439 -0.339 18547 15699 1 16 . 1 1 125 125 ALA CB C 115 22.500 22.500 20.799 1.701 18547 15700 1 16 . 1 1 125 125 ALA H H 115 9.360 9.360 8.565 0.795 18547 15701 1 16 . 1 1 126 126 THR N N 116 115.800 115.800 119.191 -3.391 18547 15702 1 16 . 1 1 126 126 THR HA H 116 4.960 4.960 4.906 0.054 18547 15703 1 16 . 1 1 126 126 THR C C 116 172.200 172.200 175.317 -3.117 18547 15704 1 16 . 1 1 126 126 THR CA C 116 58.800 58.800 59.978 -1.178 18547 15705 1 16 . 1 1 126 126 THR CB C 116 69.200 69.200 71.152 -1.952 18547 15706 1 16 . 1 1 126 126 THR H H 116 8.760 8.760 8.508 0.252 18547 15707 1 16 . 1 1 127 127 THR N N 117 116.000 116.000 118.703 -2.703 18547 15708 1 16 . 1 1 127 127 THR HA H 117 4.390 4.390 4.273 0.117 18547 15709 1 16 . 1 1 127 127 THR C C 117 174.400 174.400 175.636 -1.236 18547 15710 1 16 . 1 1 127 127 THR CA C 117 62.900 62.900 63.864 -0.963 18547 15711 1 16 . 1 1 127 127 THR CB C 117 68.800 68.800 69.002 -0.202 18547 15712 1 16 . 1 1 127 127 THR H H 117 8.460 8.460 8.899 -0.439 18547 15713 1 16 . 1 1 128 128 SER N N 118 116.400 116.400 118.024 -1.624 18547 15714 1 16 . 1 1 128 128 SER HA H 118 4.890 4.890 4.545 0.345 18547 15715 1 16 . 1 1 128 128 SER C C 118 174.700 174.700 174.971 -0.271 18547 15716 1 16 . 1 1 128 128 SER CA C 118 55.400 55.400 58.077 -2.677 18547 15717 1 16 . 1 1 128 128 SER CB C 118 63.000 63.000 64.648 -1.648 18547 15718 1 16 . 1 1 128 128 SER H H 118 7.730 7.730 7.672 0.058 18547 15719 1 16 . 1 1 129 129 GLU N N 119 130.300 130.300 126.773 3.527 18547 15720 1 16 . 1 1 129 129 GLU HA H 119 3.940 3.940 3.979 -0.039 18547 15721 1 16 . 1 1 129 129 GLU C C 119 178.400 178.400 178.597 -0.197 18547 15722 1 16 . 1 1 129 129 GLU CA C 119 59.900 59.900 60.543 -0.643 18547 15723 1 16 . 1 1 129 129 GLU CB C 119 29.700 29.700 29.866 -0.167 18547 15724 1 16 . 1 1 129 129 GLU H H 119 9.000 9.000 8.993 0.007 18547 15725 1 16 . 1 1 130 130 GLN N N 120 117.300 117.300 118.702 -1.402 18547 15726 1 16 . 1 1 130 130 GLN HA H 120 4.120 4.120 4.082 0.038 18547 15727 1 16 . 1 1 130 130 GLN C C 120 177.900 177.900 177.830 0.070 18547 15728 1 16 . 1 1 130 130 GLN CA C 120 58.400 58.400 59.048 -0.648 18547 15729 1 16 . 1 1 130 130 GLN CB C 120 28.000 28.000 28.075 -0.075 18547 15730 1 16 . 1 1 130 130 GLN H H 120 8.410 8.410 8.481 -0.071 18547 15731 1 16 . 1 1 131 131 MET N N 121 118.300 118.300 119.088 -0.788 18547 15732 1 16 . 1 1 131 131 MET HA H 121 4.240 4.240 4.250 -0.010 18547 15733 1 16 . 1 1 131 131 MET C C 121 176.400 176.400 178.241 -1.841 18547 15734 1 16 . 1 1 131 131 MET CA C 121 57.300 57.300 57.772 -0.472 18547 15735 1 16 . 1 1 131 131 MET CB C 121 32.400 32.400 31.762 0.638 18547 15736 1 16 . 1 1 131 131 MET H H 121 7.640 7.640 8.174 -0.534 18547 15737 1 16 . 1 1 132 132 LEU N N 122 118.700 118.700 118.614 0.086 18547 15738 1 16 . 1 1 132 132 LEU HA H 122 3.630 3.630 3.849 -0.219 18547 15739 1 16 . 1 1 132 132 LEU C C 122 177.100 177.100 179.143 -2.043 18547 15740 1 16 . 1 1 132 132 LEU CA C 122 58.300 58.300 57.902 0.398 18547 15741 1 16 . 1 1 132 132 LEU CB C 122 41.900 41.900 41.629 0.271 18547 15742 1 16 . 1 1 132 132 LEU H H 122 7.470 7.470 7.825 -0.355 18547 15743 1 16 . 1 1 133 133 VAL N N 123 114.600 114.600 119.007 -4.407 18547 15744 1 16 . 1 1 133 133 VAL HA H 123 3.360 3.360 3.483 -0.123 18547 15745 1 16 . 1 1 133 133 VAL C C 123 176.700 176.700 177.606 -0.906 18547 15746 1 16 . 1 1 133 133 VAL CA C 123 66.600 66.600 67.301 -0.701 18547 15747 1 16 . 1 1 133 133 VAL CB C 123 31.800 31.800 31.360 0.440 18547 15748 1 16 . 1 1 133 133 VAL H H 123 7.040 7.040 7.513 -0.473 18547 15749 1 16 . 1 1 134 134 GLU N N 124 116.700 116.700 120.176 -3.476 18547 15750 1 16 . 1 1 134 134 GLU HA H 124 3.900 3.900 3.801 0.099 18547 15751 1 16 . 1 1 134 134 GLU C C 124 180.700 180.700 178.631 2.069 18547 15752 1 16 . 1 1 134 134 GLU CA C 124 59.300 59.300 59.665 -0.365 18547 15753 1 16 . 1 1 134 134 GLU CB C 124 29.900 29.900 29.722 0.178 18547 15754 1 16 . 1 1 134 134 GLU H H 124 7.200 7.200 8.228 -1.028 18547 15755 1 16 . 1 1 135 135 VAL N N 125 114.700 114.700 115.166 -0.466 18547 15756 1 16 . 1 1 135 135 VAL HA H 125 3.930 3.930 3.707 0.223 18547 15757 1 16 . 1 1 135 135 VAL C C 125 177.900 177.900 177.491 0.409 18547 15758 1 16 . 1 1 135 135 VAL CA C 125 63.800 63.800 64.354 -0.554 18547 15759 1 16 . 1 1 135 135 VAL CB C 125 30.400 30.400 30.611 -0.211 18547 15760 1 16 . 1 1 135 135 VAL H H 125 8.620 8.620 7.538 1.082 18547 15761 1 16 . 1 1 136 136 GLY N N 126 112.200 112.200 108.919 3.281 18547 15762 1 16 . 1 1 136 136 GLY C C 126 174.800 174.800 175.220 -0.420 18547 15763 1 16 . 1 1 136 136 GLY CA C 126 47.200 47.200 46.569 0.631 18547 15764 1 16 . 1 1 136 136 GLY H H 126 7.750 7.750 7.646 0.104 18547 15765 1 16 . 1 1 137 137 VAL N N 127 119.100 119.100 121.993 -2.893 18547 15766 1 16 . 1 1 137 137 VAL HA H 127 3.510 3.510 3.895 -0.385 18547 15767 1 16 . 1 1 137 137 VAL C C 127 179.100 179.100 178.136 0.964 18547 15768 1 16 . 1 1 137 137 VAL CA C 127 67.400 67.400 65.706 1.694 18547 15769 1 16 . 1 1 137 137 VAL CB C 127 32.500 32.500 31.570 0.930 18547 15770 1 16 . 1 1 137 137 VAL H H 127 7.680 7.680 7.750 -0.070 18547 15771 1 16 . 1 1 138 138 GLY N N 128 106.300 106.300 108.032 -1.732 18547 15772 1 16 . 1 1 138 138 GLY C C 128 177.900 177.900 175.947 1.953 18547 15773 1 16 . 1 1 138 138 GLY CA C 128 47.300 47.300 47.328 -0.028 18547 15774 1 16 . 1 1 138 138 GLY H H 128 8.210 8.210 8.022 0.188 18547 15775 1 16 . 1 1 139 139 TRP N N 129 122.500 122.500 121.531 0.969 18547 15776 1 16 . 1 1 139 139 TRP HA H 129 4.890 4.890 4.299 0.591 18547 15777 1 16 . 1 1 139 139 TRP C C 129 179.100 179.100 178.331 0.769 18547 15778 1 16 . 1 1 139 139 TRP CA C 129 59.800 59.800 59.997 -0.197 18547 15779 1 16 . 1 1 139 139 TRP CB C 129 30.100 30.100 29.464 0.636 18547 15780 1 16 . 1 1 139 139 TRP H H 129 8.880 8.880 7.718 1.162 18547 15781 1 16 . 1 1 140 140 GLU N N 130 119.000 119.000 119.654 -0.654 18547 15782 1 16 . 1 1 140 140 GLU HA H 130 4.020 4.020 4.019 0.001 18547 15783 1 16 . 1 1 140 140 GLU C C 130 179.300 179.300 179.248 0.052 18547 15784 1 16 . 1 1 140 140 GLU CA C 130 62.900 62.900 59.349 3.551 18547 15785 1 16 . 1 1 140 140 GLU CB C 130 30.600 30.600 29.526 1.074 18547 15786 1 16 . 1 1 140 140 GLU H H 130 8.210 8.210 7.716 0.494 18547 15787 1 16 . 1 1 141 141 MET N N 131 117.100 117.100 118.932 -1.832 18547 15788 1 16 . 1 1 141 141 MET HA H 131 4.330 4.330 4.228 0.102 18547 15789 1 16 . 1 1 141 141 MET C C 131 178.500 178.500 178.079 0.421 18547 15790 1 16 . 1 1 141 141 MET CA C 131 57.700 57.700 58.680 -0.980 18547 15791 1 16 . 1 1 141 141 MET CB C 131 30.600 30.600 32.850 -2.250 18547 15792 1 16 . 1 1 141 141 MET H H 131 8.210 8.210 8.221 -0.011 18547 15793 1 16 . 1 1 142 142 ALA N N 132 121.400 121.400 124.313 -2.913 18547 15794 1 16 . 1 1 142 142 ALA HA H 132 4.720 4.720 4.584 0.136 18547 15795 1 16 . 1 1 142 142 ALA C C 132 180.900 180.900 180.207 0.693 18547 15796 1 16 . 1 1 142 142 ALA CA C 132 55.700 55.700 55.309 0.391 18547 15797 1 16 . 1 1 142 142 ALA CB C 132 18.200 18.200 18.602 -0.402 18547 15798 1 16 . 1 1 142 142 ALA H H 132 7.910 7.910 8.015 -0.105 18547 15799 1 16 . 1 1 143 143 LEU N N 133 117.200 117.200 118.069 -0.869 18547 15800 1 16 . 1 1 143 143 LEU HA H 133 4.150 4.150 4.017 0.133 18547 15801 1 16 . 1 1 143 143 LEU C C 133 180.300 180.300 179.198 1.102 18547 15802 1 16 . 1 1 143 143 LEU CA C 133 57.300 57.300 57.465 -0.165 18547 15803 1 16 . 1 1 143 143 LEU CB C 133 40.600 40.600 40.274 0.326 18547 15804 1 16 . 1 1 143 143 LEU H H 133 9.190 9.190 8.654 0.536 18547 15805 1 16 . 1 1 144 144 ASP N N 134 122.600 122.600 120.608 1.992 18547 15806 1 16 . 1 1 144 144 ASP HA H 134 4.580 4.580 4.564 0.016 18547 15807 1 16 . 1 1 144 144 ASP C C 134 179.900 179.900 178.794 1.106 18547 15808 1 16 . 1 1 144 144 ASP CA C 134 57.800 57.800 57.301 0.499 18547 15809 1 16 . 1 1 144 144 ASP CB C 134 39.800 39.800 40.735 -0.935 18547 15810 1 16 . 1 1 144 144 ASP H H 134 7.930 7.930 7.968 -0.038 18547 15811 1 16 . 1 1 145 145 PHE N N 135 119.300 119.300 118.557 0.743 18547 15812 1 16 . 1 1 145 145 PHE HA H 135 4.580 4.580 4.384 0.196 18547 15813 1 16 . 1 1 145 145 PHE C C 135 178.000 178.000 177.984 0.016 18547 15814 1 16 . 1 1 145 145 PHE CA C 135 61.700 61.700 61.558 0.142 18547 15815 1 16 . 1 1 145 145 PHE CB C 135 39.400 39.400 39.135 0.265 18547 15816 1 16 . 1 1 145 145 PHE H H 135 7.690 7.690 8.021 -0.331 18547 15817 1 16 . 1 1 146 146 LEU N N 136 124.400 124.400 122.236 2.164 18547 15818 1 16 . 1 1 146 146 LEU HA H 136 3.200 3.200 3.952 -0.752 18547 15819 1 16 . 1 1 146 146 LEU C C 136 178.800 178.800 178.506 0.294 18547 15820 1 16 . 1 1 146 146 LEU CA C 136 58.400 58.400 57.450 0.950 18547 15821 1 16 . 1 1 146 146 LEU CB C 136 38.800 38.800 40.784 -1.984 18547 15822 1 16 . 1 1 146 146 LEU H H 136 7.930 7.930 7.998 -0.068 18547 15823 1 16 . 1 1 147 147 GLY N N 137 104.200 104.200 107.094 -2.894 18547 15824 1 16 . 1 1 147 147 GLY C C 137 176.100 176.100 176.302 -0.202 18547 15825 1 16 . 1 1 147 147 GLY CA C 137 47.900 47.900 47.622 0.278 18547 15826 1 16 . 1 1 147 147 GLY H H 137 8.340 8.340 8.748 -0.408 18547 15827 1 16 . 1 1 148 148 MET N N 138 119.300 119.300 120.615 -1.315 18547 15828 1 16 . 1 1 148 148 MET HA H 138 4.090 4.090 4.290 -0.200 18547 15829 1 16 . 1 1 148 148 MET C C 138 177.700 177.700 177.671 0.029 18547 15830 1 16 . 1 1 148 148 MET CA C 138 59.400 59.400 58.570 0.830 18547 15831 1 16 . 1 1 148 148 MET CB C 138 34.500 34.500 32.744 1.756 18547 15832 1 16 . 1 1 148 148 MET H H 138 7.550 7.550 7.719 -0.169 18547 15833 1 16 . 1 1 149 149 PHE N N 139 120.400 120.400 122.119 -1.719 18547 15834 1 16 . 1 1 149 149 PHE HA H 139 4.380 4.380 4.373 0.007 18547 15835 1 16 . 1 1 149 149 PHE C C 139 179.100 179.100 177.921 1.179 18547 15836 1 16 . 1 1 149 149 PHE CA C 139 60.800 60.800 61.737 -0.937 18547 15837 1 16 . 1 1 149 149 PHE CB C 139 39.200 39.200 39.274 -0.074 18547 15838 1 16 . 1 1 149 149 PHE H H 139 8.600 8.600 8.093 0.507 18547 15839 1 16 . 1 1 150 150 ILE N N 140 121.300 121.300 118.750 2.550 18547 15840 1 16 . 1 1 150 150 ILE HA H 140 3.420 3.420 3.445 -0.025 18547 15841 1 16 . 1 1 150 150 ILE C C 140 177.500 177.500 177.583 -0.083 18547 15842 1 16 . 1 1 150 150 ILE CA C 140 63.100 63.100 64.015 -0.915 18547 15843 1 16 . 1 1 150 150 ILE CB C 140 37.100 37.100 37.699 -0.599 18547 15844 1 16 . 1 1 150 150 ILE H H 140 8.780 8.780 8.486 0.294 18547 15845 1 16 . 1 1 151 151 ARG N N 141 116.500 116.500 119.061 -2.561 18547 15846 1 16 . 1 1 151 151 ARG HA H 141 4.220 4.220 4.088 0.132 18547 15847 1 16 . 1 1 151 151 ARG C C 141 176.700 176.700 176.976 -0.276 18547 15848 1 16 . 1 1 151 151 ARG CA C 141 57.500 57.500 57.365 0.135 18547 15849 1 16 . 1 1 151 151 ARG CB C 141 31.500 31.500 30.850 0.650 18547 15850 1 16 . 1 1 151 151 ARG H H 141 7.730 7.730 7.740 -0.010 18547 15851 1 16 . 1 1 152 152 GLY N N 142 106.800 106.800 106.071 0.729 18547 15852 1 16 . 1 1 152 152 GLY C C 142 174.900 174.900 174.451 0.449 18547 15853 1 16 . 1 1 152 152 GLY CA C 142 45.700 45.700 45.229 0.471 18547 15854 1 16 . 1 1 152 152 GLY H H 142 7.570 7.570 7.556 0.014 18547 15855 1 16 . 1 1 153 153 ASP N N 143 119.400 119.400 120.247 -0.847 18547 15856 1 16 . 1 1 153 153 ASP HA H 143 4.780 4.780 4.710 0.070 18547 15857 1 16 . 1 1 153 153 ASP C C 143 175.400 175.400 176.750 -1.350 18547 15858 1 16 . 1 1 153 153 ASP CA C 143 54.200 54.200 54.345 -0.145 18547 15859 1 16 . 1 1 153 153 ASP CB C 143 42.100 42.100 42.219 -0.119 18547 15860 1 16 . 1 1 153 153 ASP H H 143 8.290 8.290 8.302 -0.012 18547 15861 1 16 . 1 1 154 154 LEU N N 144 121.300 121.300 122.507 -1.207 18547 15862 1 16 . 1 1 154 154 LEU HA H 144 4.810 4.810 4.617 0.193 18547 15863 1 16 . 1 1 154 154 LEU CA C 144 52.800 52.800 53.987 -1.187 18547 15864 1 16 . 1 1 154 154 LEU CB C 144 42.500 42.500 42.167 0.333 18547 15865 1 16 . 1 1 154 154 LEU H H 144 8.010 8.010 7.618 0.392 18547 15866 1 16 . 1 1 155 155 PRO HA H 145 4.480 4.480 4.604 -0.124 18547 15867 1 16 . 1 1 155 155 PRO C C 145 177.600 177.600 176.525 1.075 18547 15868 1 16 . 1 1 155 155 PRO CA C 145 63.500 63.500 63.289 0.211 18547 15869 1 16 . 1 1 155 155 PRO CB C 145 32.200 32.200 32.527 -0.327 18547 15870 1 16 . 1 1 156 156 GLY N N 146 108.900 108.900 106.815 2.085 18547 15871 1 16 . 1 1 156 156 GLY C C 146 174.300 174.300 172.742 1.558 18547 15872 1 16 . 1 1 156 156 GLY CA C 146 45.100 45.100 44.728 0.372 18547 15873 1 16 . 1 1 156 156 GLY H H 146 8.530 8.530 7.661 0.869 18547 15874 1 16 . 1 1 157 157 GLY N N 147 108.800 108.800 108.054 0.746 18547 15875 1 16 . 1 1 157 157 GLY CA C 147 44.500 44.500 43.408 1.092 18547 15876 1 16 . 1 1 157 157 GLY H H 147 8.080 8.080 8.204 -0.124 18547 15877 1 16 . 1 1 158 158 PRO HA H 148 4.440 4.440 4.601 -0.161 18547 15878 1 16 . 1 1 158 158 PRO C C 148 176.800 176.800 176.426 0.374 18547 15879 1 16 . 1 1 158 158 PRO CA C 148 63.000 63.000 62.694 0.306 18547 15880 1 16 . 1 1 158 158 PRO CB C 148 32.100 32.100 32.013 0.087 18547 15881 1 16 . 1 1 159 159 VAL N N 149 121.400 121.400 117.782 3.618 18547 15882 1 16 . 1 1 159 159 VAL HA H 149 4.390 4.390 4.353 0.037 18547 15883 1 16 . 1 1 159 159 VAL CA C 149 59.800 59.800 59.509 0.291 18547 15884 1 16 . 1 1 159 159 VAL CB C 149 32.600 32.600 31.868 0.732 18547 15885 1 16 . 1 1 159 159 VAL H H 149 8.220 8.220 7.449 0.771 18547 15886 1 16 . 1 1 160 160 PRO HA H 150 4.380 4.380 4.517 -0.137 18547 15887 1 16 . 1 1 160 160 PRO C C 150 177.200 177.200 176.388 0.812 18547 15888 1 16 . 1 1 160 160 PRO CA C 150 63.300 63.300 62.598 0.702 18547 15889 1 16 . 1 1 160 160 PRO CB C 150 32.100 32.100 32.081 0.019 18547 15890 1 16 . 1 1 161 161 GLU N N 151 120.700 120.700 117.741 2.959 18547 15891 1 16 . 1 1 161 161 GLU HA H 151 4.170 4.170 4.154 0.016 18547 15892 1 16 . 1 1 161 161 GLU CA C 151 57.400 57.400 56.575 0.825 18547 15893 1 16 . 1 1 161 161 GLU CB C 151 29.900 29.900 29.028 0.872 18547 15894 1 16 . 1 1 161 161 GLU H H 151 8.620 8.620 8.370 0.250 18547 15895 1 16 . 1 1 162 162 ASP N N 152 119.900 119.900 119.808 0.092 18547 15896 1 16 . 1 1 162 162 ASP HA H 152 4.570 4.570 4.846 -0.276 18547 15897 1 16 . 1 1 162 162 ASP C C 152 176.000 176.000 176.141 -0.141 18547 15898 1 16 . 1 1 162 162 ASP CA C 152 54.200 54.200 53.815 0.386 18547 15899 1 16 . 1 1 162 162 ASP CB C 152 41.000 41.000 40.014 0.986 18547 15900 1 16 . 1 1 162 162 ASP H H 152 8.250 8.250 8.481 -0.231 18547 15901 1 16 . 1 1 163 163 ALA N N 153 124.000 124.000 122.928 1.072 18547 15902 1 16 . 1 1 163 163 ALA HA H 153 4.270 4.270 4.219 0.051 18547 15903 1 16 . 1 1 163 163 ALA C C 153 177.400 177.400 177.442 -0.042 18547 15904 1 16 . 1 1 163 163 ALA CA C 153 52.700 52.700 53.823 -1.123 18547 15905 1 16 . 1 1 163 163 ALA CB C 153 19.200 19.200 19.323 -0.123 18547 15906 1 16 . 1 1 163 163 ALA H H 153 8.040 8.040 7.746 0.294 18547 15907 1 16 . 1 1 164 164 ALA N N 154 122.600 122.600 121.664 0.936 18547 15908 1 16 . 1 1 164 164 ALA HA H 154 4.260 4.260 4.416 -0.156 18547 15909 1 16 . 1 1 164 164 ALA C C 154 177.900 177.900 177.890 0.010 18547 15910 1 16 . 1 1 164 164 ALA CA C 154 52.600 52.600 51.004 1.596 18547 15911 1 16 . 1 1 164 164 ALA CB C 154 19.300 19.300 19.407 -0.107 18547 15912 1 16 . 1 1 164 164 ALA H H 154 8.190 8.190 7.936 0.254 18547 15913 1 16 . 1 1 165 165 GLU N N 155 119.400 119.400 125.674 -6.274 18547 15914 1 16 . 1 1 165 165 GLU HA H 155 4.220 4.220 4.018 0.202 18547 15915 1 16 . 1 1 165 165 GLU C C 155 176.200 176.200 176.629 -0.429 18547 15916 1 16 . 1 1 165 165 GLU CA C 155 56.500 56.500 57.215 -0.715 18547 15917 1 16 . 1 1 165 165 GLU CB C 155 30.300 30.300 29.983 0.317 18547 15918 1 16 . 1 1 165 165 GLU H H 155 8.190 8.190 8.841 -0.651 18547 15919 1 16 . 1 1 166 166 GLU N N 156 121.000 121.000 118.061 2.939 18547 15920 1 16 . 1 1 166 166 GLU HA H 156 4.240 4.240 4.155 0.085 18547 15921 1 16 . 1 1 166 166 GLU C C 156 175.800 175.800 175.800 0.000 18547 15922 1 16 . 1 1 166 166 GLU CA C 156 56.300 56.300 56.518 -0.218 18547 15923 1 16 . 1 1 166 166 GLU CB C 156 30.300 30.300 29.774 0.526 18547 15924 1 16 . 1 1 166 166 GLU H H 156 8.230 8.230 7.989 0.241 18547 15925 1 16 . 1 1 167 167 PHE N N 157 121.400 121.400 125.212 -3.812 18547 15926 1 16 . 1 1 167 167 PHE HA H 157 4.590 4.590 4.375 0.215 18547 15927 1 16 . 1 1 167 167 PHE C C 157 175.100 175.100 175.182 -0.082 18547 15928 1 16 . 1 1 167 167 PHE CA C 157 57.700 57.700 58.223 -0.523 18547 15929 1 16 . 1 1 167 167 PHE CB C 157 39.900 39.900 38.800 1.101 18547 15930 1 16 . 1 1 167 167 PHE H H 157 8.240 8.240 8.633 -0.393 18547 15931 1 16 . 1 1 168 168 GLU N N 158 124.400 124.400 125.080 -0.680 18547 15932 1 16 . 1 1 168 168 GLU HA H 158 4.600 4.600 3.878 0.722 18547 15933 1 16 . 1 1 168 168 GLU CA C 158 53.700 53.700 56.299 -2.599 18547 15934 1 16 . 1 1 168 168 GLU CB C 158 30.400 30.400 28.608 1.792 18547 15935 1 16 . 1 1 168 168 GLU H H 158 8.130 8.130 7.970 0.160 18547 15936 1 16 . 1 1 169 169 PRO HA H 159 4.460 4.460 4.514 -0.054 18547 15937 1 16 . 1 1 169 169 PRO C C 159 176.200 176.200 176.499 -0.299 18547 15938 1 16 . 1 1 169 169 PRO CA C 159 62.800 62.800 63.814 -1.014 18547 15939 1 16 . 1 1 169 169 PRO CB C 159 32.300 32.300 32.596 -0.296 18547 15940 1 16 . 1 1 170 170 SER N N 160 118.600 118.600 113.217 5.383 18547 15941 1 16 . 1 1 170 170 SER HA H 160 4.780 4.780 4.809 -0.029 18547 15942 1 16 . 1 1 170 170 SER CA C 160 56.200 56.200 55.106 1.094 18547 15943 1 16 . 1 1 170 170 SER CB C 160 63.200 63.200 64.403 -1.203 18547 15944 1 16 . 1 1 170 170 SER H H 160 8.290 8.290 7.553 0.737 18547 15945 1 16 . 1 1 171 171 PRO HA H 161 4.350 4.350 4.263 0.087 18547 15946 1 16 . 1 1 171 171 PRO C C 161 179.400 179.400 178.330 1.070 18547 15947 1 16 . 1 1 171 171 PRO CA C 161 65.500 65.500 65.141 0.359 18547 15948 1 16 . 1 1 171 171 PRO CB C 161 31.700 31.700 32.145 -0.445 18547 15949 1 16 . 1 1 172 172 GLU N N 162 118.300 118.300 118.035 0.265 18547 15950 1 16 . 1 1 172 172 GLU HA H 162 4.160 4.160 4.090 0.070 18547 15951 1 16 . 1 1 172 172 GLU C C 162 178.300 178.300 178.757 -0.457 18547 15952 1 16 . 1 1 172 172 GLU CA C 162 59.300 59.300 59.490 -0.190 18547 15953 1 16 . 1 1 172 172 GLU CB C 162 29.400 29.400 28.596 0.804 18547 15954 1 16 . 1 1 172 172 GLU H H 162 8.540 8.540 8.665 -0.125 18547 15955 1 16 . 1 1 173 173 MET N N 163 119.400 119.400 119.575 -0.175 18547 15956 1 16 . 1 1 173 173 MET HA H 163 4.260 4.260 4.266 -0.006 18547 15957 1 16 . 1 1 173 173 MET C C 163 179.200 179.200 178.247 0.953 18547 15958 1 16 . 1 1 173 173 MET CA C 163 58.200 58.200 57.837 0.363 18547 15959 1 16 . 1 1 173 173 MET CB C 163 32.500 32.500 32.469 0.031 18547 15960 1 16 . 1 1 173 173 MET H H 163 7.830 7.830 7.468 0.362 18547 15961 1 16 . 1 1 174 174 MET N N 164 119.300 119.300 118.293 1.007 18547 15962 1 16 . 1 1 174 174 MET HA H 164 4.260 4.260 4.022 0.238 18547 15963 1 16 . 1 1 174 174 MET C C 164 178.600 178.600 178.305 0.295 18547 15964 1 16 . 1 1 174 174 MET CA C 164 58.200 58.200 59.481 -1.281 18547 15965 1 16 . 1 1 174 174 MET CB C 164 31.900 31.900 32.122 -0.222 18547 15966 1 16 . 1 1 174 174 MET H H 164 8.320 8.320 8.011 0.309 18547 15967 1 16 . 1 1 175 175 ARG N N 165 121.200 121.200 120.258 0.942 18547 15968 1 16 . 1 1 175 175 ARG HA H 165 4.160 4.160 3.941 0.219 18547 15969 1 16 . 1 1 175 175 ARG C C 165 178.800 178.800 178.631 0.169 18547 15970 1 16 . 1 1 175 175 ARG CA C 165 59.400 59.400 59.524 -0.124 18547 15971 1 16 . 1 1 175 175 ARG CB C 165 29.900 29.900 29.881 0.019 18547 15972 1 16 . 1 1 175 175 ARG H H 165 8.020 8.020 7.927 0.093 18547 15973 1 16 . 1 1 176 176 ILE N N 166 120.500 120.500 118.699 1.801 18547 15974 1 16 . 1 1 176 176 ILE HA H 166 3.920 3.920 3.689 0.231 18547 15975 1 16 . 1 1 176 176 ILE C C 166 178.500 178.500 177.902 0.598 18547 15976 1 16 . 1 1 176 176 ILE CA C 166 64.500 64.500 65.330 -0.830 18547 15977 1 16 . 1 1 176 176 ILE CB C 166 37.900 37.900 37.650 0.250 18547 15978 1 16 . 1 1 176 176 ILE H H 166 8.110 8.110 7.709 0.401 18547 15979 1 16 . 1 1 177 177 SER N N 167 116.300 116.300 115.019 1.281 18547 15980 1 16 . 1 1 177 177 SER HA H 167 4.240 4.240 4.076 0.164 18547 15981 1 16 . 1 1 177 177 SER C C 167 177.300 177.300 176.587 0.713 18547 15982 1 16 . 1 1 177 177 SER CA C 167 62.500 62.500 62.199 0.301 18547 15983 1 16 . 1 1 177 177 SER CB C 167 62.800 62.800 63.270 -0.471 18547 15984 1 16 . 1 1 177 177 SER H H 167 8.290 8.290 8.182 0.108 18547 15985 1 16 . 1 1 178 178 GLN N N 168 123.300 123.300 118.689 4.611 18547 15986 1 16 . 1 1 178 178 GLN HA H 168 4.110 4.110 4.293 -0.183 18547 15987 1 16 . 1 1 178 178 GLN C C 168 178.600 178.600 177.975 0.625 18547 15988 1 16 . 1 1 178 178 GLN CA C 168 59.200 59.200 58.133 1.067 18547 15989 1 16 . 1 1 178 178 GLN CB C 168 28.000 28.000 28.611 -0.611 18547 15990 1 16 . 1 1 178 178 GLN H H 168 8.080 8.080 7.859 0.221 18547 15991 1 16 . 1 1 179 179 GLU N N 169 121.200 121.200 122.448 -1.248 18547 15992 1 16 . 1 1 179 179 GLU HA H 169 4.090 4.090 4.206 -0.116 18547 15993 1 16 . 1 1 179 179 GLU C C 169 180.500 180.500 179.042 1.458 18547 15994 1 16 . 1 1 179 179 GLU CA C 169 59.500 59.500 59.376 0.124 18547 15995 1 16 . 1 1 179 179 GLU CB C 169 29.700 29.700 29.553 0.147 18547 15996 1 16 . 1 1 179 179 GLU H H 169 8.380 8.380 8.122 0.258 18547 15997 1 16 . 1 1 180 180 ARG N N 170 120.800 120.800 118.197 2.603 18547 15998 1 16 . 1 1 180 180 ARG HA H 170 4.010 4.010 4.192 -0.182 18547 15999 1 16 . 1 1 180 180 ARG C C 170 178.100 178.100 178.963 -0.863 18547 16000 1 16 . 1 1 180 180 ARG CA C 170 59.900 59.900 58.767 1.133 18547 16001 1 16 . 1 1 180 180 ARG CB C 170 30.600 30.600 29.919 0.681 18547 16002 1 16 . 1 1 180 180 ARG H H 170 8.670 8.670 8.497 0.173 18547 16003 1 16 . 1 1 181 181 GLY N N 171 108.200 108.200 107.208 0.992 18547 16004 1 16 . 1 1 181 181 GLY C C 171 176.600 176.600 176.159 0.441 18547 16005 1 16 . 1 1 181 181 GLY CA C 171 47.800 47.800 47.230 0.570 18547 16006 1 16 . 1 1 181 181 GLY H H 171 8.550 8.550 8.040 0.510 18547 16007 1 16 . 1 1 182 182 GLU N N 172 121.900 121.900 121.749 0.151 18547 16008 1 16 . 1 1 182 182 GLU HA H 172 4.110 4.110 4.095 0.015 18547 16009 1 16 . 1 1 182 182 GLU C C 172 179.300 179.300 178.870 0.430 18547 16010 1 16 . 1 1 182 182 GLU CA C 172 59.300 59.300 58.627 0.673 18547 16011 1 16 . 1 1 182 182 GLU CB C 172 29.300 29.300 29.321 -0.021 18547 16012 1 16 . 1 1 182 182 GLU H H 172 8.190 8.190 8.365 -0.175 18547 16013 1 16 . 1 1 183 183 ALA N N 173 123.500 123.500 122.791 0.709 18547 16014 1 16 . 1 1 183 183 ALA HA H 173 4.150 4.150 4.005 0.145 18547 16015 1 16 . 1 1 183 183 ALA C C 173 181.500 181.500 179.489 2.011 18547 16016 1 16 . 1 1 183 183 ALA CA C 173 55.000 55.000 54.603 0.397 18547 16017 1 16 . 1 1 183 183 ALA CB C 173 17.100 17.100 17.853 -0.753 18547 16018 1 16 . 1 1 183 183 ALA H H 173 7.800 7.800 7.544 0.256 18547 16019 1 16 . 1 1 184 184 TRP N N 174 118.100 118.100 118.073 0.027 18547 16020 1 16 . 1 1 184 184 TRP HA H 174 4.540 4.540 4.247 0.293 18547 16021 1 16 . 1 1 184 184 TRP C C 174 178.500 178.500 178.198 0.302 18547 16022 1 16 . 1 1 184 184 TRP CA C 174 60.600 60.600 60.252 0.348 18547 16023 1 16 . 1 1 184 184 TRP CB C 174 30.800 30.800 29.296 1.504 18547 16024 1 16 . 1 1 184 184 TRP H H 174 8.400 8.400 8.095 0.305 18547 16025 1 16 . 1 1 185 185 ALA N N 175 121.700 121.700 121.668 0.032 18547 16026 1 16 . 1 1 185 185 ALA HA H 175 3.920 3.920 3.633 0.287 18547 16027 1 16 . 1 1 185 185 ALA C C 175 179.600 179.600 178.827 0.773 18547 16028 1 16 . 1 1 185 185 ALA CA C 175 55.600 55.600 54.484 1.115 18547 16029 1 16 . 1 1 185 185 ALA CB C 175 17.900 17.900 17.740 0.160 18547 16030 1 16 . 1 1 185 185 ALA H H 175 8.800 8.800 8.155 0.645 18547 16031 1 16 . 1 1 186 186 ALA N N 176 119.000 119.000 120.380 -1.380 18547 16032 1 16 . 1 1 186 186 ALA HA H 176 4.190 4.190 4.088 0.102 18547 16033 1 16 . 1 1 186 186 ALA C C 176 180.300 180.300 178.960 1.340 18547 16034 1 16 . 1 1 186 186 ALA CA C 176 54.800 54.800 54.340 0.460 18547 16035 1 16 . 1 1 186 186 ALA CB C 176 17.900 17.900 18.550 -0.650 18547 16036 1 16 . 1 1 186 186 ALA H H 176 7.860 7.860 7.645 0.215 18547 16037 1 16 . 1 1 187 187 LEU N N 177 118.500 118.500 118.728 -0.228 18547 16038 1 16 . 1 1 187 187 LEU HA H 177 4.210 4.210 4.135 0.075 18547 16039 1 16 . 1 1 187 187 LEU C C 177 179.400 179.400 179.338 0.062 18547 16040 1 16 . 1 1 187 187 LEU CA C 177 57.600 57.600 57.410 0.190 18547 16041 1 16 . 1 1 187 187 LEU CB C 177 42.700 42.700 42.194 0.506 18547 16042 1 16 . 1 1 187 187 LEU H H 177 7.460 7.460 7.535 -0.075 18547 16043 1 16 . 1 1 188 188 VAL N N 178 118.500 118.500 118.462 0.038 18547 16044 1 16 . 1 1 188 188 VAL HA H 178 3.660 3.660 3.800 -0.140 18547 16045 1 16 . 1 1 188 188 VAL C C 178 177.600 177.600 176.787 0.813 18547 16046 1 16 . 1 1 188 188 VAL CA C 178 66.000 66.000 64.387 1.613 18547 16047 1 16 . 1 1 188 188 VAL CB C 178 32.400 32.400 31.784 0.617 18547 16048 1 16 . 1 1 188 188 VAL H H 178 8.640 8.640 8.090 0.550 18547 16049 1 16 . 1 1 189 189 HIS N N 179 116.000 116.000 116.124 -0.124 18547 16050 1 16 . 1 1 189 189 HIS HA H 179 4.780 4.780 4.555 0.225 18547 16051 1 16 . 1 1 189 189 HIS C C 179 175.300 175.300 175.378 -0.078 18547 16052 1 16 . 1 1 189 189 HIS CA C 179 56.200 56.200 55.570 0.630 18547 16053 1 16 . 1 1 189 189 HIS CB C 179 28.500 28.500 29.953 -1.453 18547 16054 1 16 . 1 1 189 189 HIS H H 179 8.150 8.150 7.545 0.605 18547 16055 1 16 . 1 1 190 190 SER N N 180 115.000 115.000 114.278 0.722 18547 16056 1 16 . 1 1 190 190 SER HA H 180 4.480 4.480 4.501 -0.021 18547 16057 1 16 . 1 1 190 190 SER C C 180 175.100 175.100 174.739 0.361 18547 16058 1 16 . 1 1 190 190 SER CA C 180 59.500 59.500 57.755 1.745 18547 16059 1 16 . 1 1 190 190 SER CB C 180 64.000 64.000 64.552 -0.552 18547 16060 1 16 . 1 1 190 190 SER H H 180 7.820 7.820 7.655 0.165 18547 16061 1 16 . 1 1 191 191 GLY N N 181 111.100 111.100 110.653 0.447 18547 16062 1 16 . 1 1 191 191 GLY C C 181 173.400 173.400 173.705 -0.305 18547 16063 1 16 . 1 1 191 191 GLY CA C 181 45.500 45.500 45.509 -0.009 18547 16064 1 16 . 1 1 191 191 GLY H H 181 8.330 8.330 8.726 -0.396 18547 16065 1 17 . 1 1 12 12 ALA N N 2 125.600 125.600 126.015 -0.415 18547 16066 1 17 . 1 1 12 12 ALA HA H 2 4.300 4.300 4.443 -0.143 18547 16067 1 17 . 1 1 12 12 ALA C C 2 177.600 177.600 177.787 -0.187 18547 16068 1 17 . 1 1 12 12 ALA CA C 2 52.600 52.600 52.163 0.437 18547 16069 1 17 . 1 1 12 12 ALA CB C 2 19.200 19.200 18.207 0.993 18547 16070 1 17 . 1 1 12 12 ALA H H 2 8.380 8.380 8.419 -0.039 18547 16071 1 17 . 1 1 13 13 SER N N 3 115.000 115.000 117.644 -2.644 18547 16072 1 17 . 1 1 13 13 SER HA H 3 4.390 4.390 4.335 0.055 18547 16073 1 17 . 1 1 13 13 SER C C 3 175.100 175.100 174.818 0.282 18547 16074 1 17 . 1 1 13 13 SER CA C 3 58.500 58.500 58.699 -0.199 18547 16075 1 17 . 1 1 13 13 SER CB C 3 63.800 63.800 63.734 0.066 18547 16076 1 17 . 1 1 13 13 SER H H 3 8.250 8.250 8.989 -0.739 18547 16077 1 17 . 1 1 14 14 GLY N N 4 110.700 110.700 107.866 2.834 18547 16078 1 17 . 1 1 14 14 GLY C C 4 174.000 174.000 172.644 1.356 18547 16079 1 17 . 1 1 14 14 GLY CA C 4 45.400 45.400 44.304 1.096 18547 16080 1 17 . 1 1 14 14 GLY H H 4 8.390 8.390 7.693 0.697 18547 16081 1 17 . 1 1 15 15 GLN N N 5 120.100 120.100 120.492 -0.392 18547 16082 1 17 . 1 1 15 15 GLN HA H 5 4.310 4.310 4.363 -0.053 18547 16083 1 17 . 1 1 15 15 GLN C C 5 175.500 175.500 175.647 -0.147 18547 16084 1 17 . 1 1 15 15 GLN CA C 5 55.600 55.600 54.645 0.955 18547 16085 1 17 . 1 1 15 15 GLN CB C 5 29.700 29.700 27.863 1.837 18547 16086 1 17 . 1 1 15 15 GLN H H 5 8.190 8.190 8.391 -0.201 18547 16087 1 17 . 1 1 16 16 ALA N N 6 126.000 126.000 129.703 -3.703 18547 16088 1 17 . 1 1 16 16 ALA HA H 6 4.360 4.360 4.253 0.107 18547 16089 1 17 . 1 1 16 16 ALA C C 6 177.300 177.300 176.361 0.939 18547 16090 1 17 . 1 1 16 16 ALA CA C 6 52.300 52.300 51.802 0.498 18547 16091 1 17 . 1 1 16 16 ALA CB C 6 19.200 19.200 18.047 1.153 18547 16092 1 17 . 1 1 16 16 ALA H H 6 8.400 8.400 8.272 0.128 18547 16093 1 17 . 1 1 17 17 THR N N 7 119.200 119.200 121.256 -2.056 18547 16094 1 17 . 1 1 17 17 THR HA H 7 4.370 4.370 4.600 -0.230 18547 16095 1 17 . 1 1 17 17 THR C C 7 173.600 173.600 174.203 -0.603 18547 16096 1 17 . 1 1 17 17 THR CA C 7 63.200 63.200 63.132 0.068 18547 16097 1 17 . 1 1 17 17 THR CB C 7 70.600 70.600 69.136 1.464 18547 16098 1 17 . 1 1 17 17 THR H H 7 8.180 8.180 7.926 0.254 18547 16099 1 17 . 1 1 18 18 GLU N N 8 127.500 127.500 129.370 -1.870 18547 16100 1 17 . 1 1 18 18 GLU HA H 8 4.540 4.540 4.550 -0.010 18547 16101 1 17 . 1 1 18 18 GLU C C 8 174.200 174.200 175.490 -1.290 18547 16102 1 17 . 1 1 18 18 GLU CA C 8 55.100 55.100 55.073 0.027 18547 16103 1 17 . 1 1 18 18 GLU CB C 8 31.900 31.900 31.761 0.139 18547 16104 1 17 . 1 1 18 18 GLU H H 8 8.810 8.810 8.411 0.399 18547 16105 1 17 . 1 1 19 19 ARG N N 9 122.100 122.100 126.092 -3.992 18547 16106 1 17 . 1 1 19 19 ARG HA H 9 5.060 5.060 4.458 0.602 18547 16107 1 17 . 1 1 19 19 ARG C C 9 175.000 175.000 175.937 -0.937 18547 16108 1 17 . 1 1 19 19 ARG CA C 9 54.800 54.800 56.239 -1.439 18547 16109 1 17 . 1 1 19 19 ARG CB C 9 31.600 31.600 30.399 1.201 18547 16110 1 17 . 1 1 19 19 ARG H H 9 8.070 8.070 8.748 -0.678 18547 16111 1 17 . 1 1 20 20 ALA N N 10 126.300 126.300 124.288 2.012 18547 16112 1 17 . 1 1 20 20 ALA HA H 10 4.640 4.640 4.599 0.041 18547 16113 1 17 . 1 1 20 20 ALA C C 10 173.800 173.800 174.769 -0.969 18547 16114 1 17 . 1 1 20 20 ALA CA C 10 51.100 51.100 51.676 -0.576 18547 16115 1 17 . 1 1 20 20 ALA CB C 10 22.800 22.800 22.179 0.621 18547 16116 1 17 . 1 1 20 20 ALA H H 10 9.390 9.390 8.461 0.929 18547 16117 1 17 . 1 1 21 21 LEU N N 11 117.500 117.500 121.029 -3.529 18547 16118 1 17 . 1 1 21 21 LEU HA H 11 5.790 5.790 5.541 0.249 18547 16119 1 17 . 1 1 21 21 LEU C C 11 178.100 178.100 175.790 2.310 18547 16120 1 17 . 1 1 21 21 LEU CA C 11 53.100 53.100 54.018 -0.918 18547 16121 1 17 . 1 1 21 21 LEU CB C 11 45.400 45.400 46.190 -0.790 18547 16122 1 17 . 1 1 21 21 LEU H H 11 8.280 8.280 8.304 -0.024 18547 16123 1 17 . 1 1 22 22 GLY N N 12 113.400 113.400 111.104 2.296 18547 16124 1 17 . 1 1 22 22 GLY C C 12 174.800 174.800 171.793 3.007 18547 16125 1 17 . 1 1 22 22 GLY CA C 12 44.500 44.500 45.254 -0.754 18547 16126 1 17 . 1 1 22 22 GLY H H 12 8.830 8.830 8.543 0.287 18547 16127 1 17 . 1 1 23 23 ARG N N 13 119.600 119.600 118.910 0.690 18547 16128 1 17 . 1 1 23 23 ARG HA H 13 5.040 5.040 4.691 0.349 18547 16129 1 17 . 1 1 23 23 ARG C C 13 174.900 174.900 175.514 -0.614 18547 16130 1 17 . 1 1 23 23 ARG CA C 13 55.800 55.800 55.064 0.736 18547 16131 1 17 . 1 1 23 23 ARG CB C 13 33.600 33.600 33.038 0.562 18547 16132 1 17 . 1 1 23 23 ARG H H 13 8.160 8.160 8.412 -0.252 18547 16133 1 17 . 1 1 24 24 ARG N N 14 121.900 121.900 121.090 0.810 18547 16134 1 17 . 1 1 24 24 ARG HA H 14 4.530 4.530 4.548 -0.018 18547 16135 1 17 . 1 1 24 24 ARG C C 14 174.000 174.000 174.324 -0.324 18547 16136 1 17 . 1 1 24 24 ARG CA C 14 55.200 55.200 55.670 -0.470 18547 16137 1 17 . 1 1 24 24 ARG CB C 14 34.700 34.700 33.249 1.451 18547 16138 1 17 . 1 1 24 24 ARG H H 14 8.780 8.780 8.958 -0.178 18547 16139 1 17 . 1 1 25 25 THR N N 15 121.700 121.700 123.300 -1.600 18547 16140 1 17 . 1 1 25 25 THR HA H 15 4.420 4.420 4.443 -0.023 18547 16141 1 17 . 1 1 25 25 THR C C 15 173.700 173.700 174.294 -0.594 18547 16142 1 17 . 1 1 25 25 THR CA C 15 63.600 63.600 62.808 0.792 18547 16143 1 17 . 1 1 25 25 THR CB C 15 68.600 68.600 69.257 -0.657 18547 16144 1 17 . 1 1 25 25 THR H H 15 8.800 8.800 8.437 0.363 18547 16145 1 17 . 1 1 26 26 ILE N N 16 124.200 124.200 122.314 1.886 18547 16146 1 17 . 1 1 26 26 ILE HA H 16 4.940 4.940 5.208 -0.268 18547 16147 1 17 . 1 1 26 26 ILE CA C 16 59.300 59.300 56.731 2.569 18547 16148 1 17 . 1 1 26 26 ILE CB C 16 38.200 38.200 39.199 -0.999 18547 16149 1 17 . 1 1 26 26 ILE H H 16 8.420 8.420 8.667 -0.247 18547 16150 1 17 . 1 1 27 27 PRO HA H 17 4.180 4.180 4.200 -0.020 18547 16151 1 17 . 1 1 27 27 PRO C C 17 178.100 178.100 177.249 0.851 18547 16152 1 17 . 1 1 27 27 PRO CA C 17 67.200 67.200 65.560 1.640 18547 16153 1 17 . 1 1 27 27 PRO CB C 17 30.700 30.700 31.219 -0.519 18547 16154 1 17 . 1 1 28 28 ALA N N 18 114.800 114.800 118.603 -3.803 18547 16155 1 17 . 1 1 28 28 ALA HA H 18 4.270 4.270 4.285 -0.015 18547 16156 1 17 . 1 1 28 28 ALA C C 18 177.000 177.000 177.611 -0.611 18547 16157 1 17 . 1 1 28 28 ALA CA C 18 53.100 53.100 52.807 0.293 18547 16158 1 17 . 1 1 28 28 ALA CB C 18 19.500 19.500 19.429 0.071 18547 16159 1 17 . 1 1 28 28 ALA H H 18 8.060 8.060 8.054 0.006 18547 16160 1 17 . 1 1 29 29 GLY N N 19 107.100 107.100 105.371 1.729 18547 16161 1 17 . 1 1 29 29 GLY C C 19 171.900 171.900 172.050 -0.150 18547 16162 1 17 . 1 1 29 29 GLY CA C 19 44.000 44.000 44.495 -0.494 18547 16163 1 17 . 1 1 29 29 GLY H H 19 8.140 8.140 7.408 0.732 18547 16164 1 17 . 1 1 30 30 GLU N N 20 120.000 120.000 120.351 -0.351 18547 16165 1 17 . 1 1 30 30 GLU HA H 20 4.320 4.320 4.251 0.069 18547 16166 1 17 . 1 1 30 30 GLU C C 20 175.600 175.600 175.475 0.125 18547 16167 1 17 . 1 1 30 30 GLU CA C 20 57.300 57.300 57.102 0.198 18547 16168 1 17 . 1 1 30 30 GLU CB C 20 29.100 29.100 30.203 -1.103 18547 16169 1 17 . 1 1 30 30 GLU H H 20 8.380 8.380 8.549 -0.169 18547 16170 1 17 . 1 1 31 31 ALA N N 21 129.500 129.500 126.284 3.216 18547 16171 1 17 . 1 1 31 31 ALA HA H 21 4.610 4.610 4.697 -0.087 18547 16172 1 17 . 1 1 31 31 ALA C C 21 177.200 177.200 175.414 1.786 18547 16173 1 17 . 1 1 31 31 ALA CA C 21 51.200 51.200 51.138 0.062 18547 16174 1 17 . 1 1 31 31 ALA CB C 21 22.500 22.500 22.564 -0.063 18547 16175 1 17 . 1 1 31 31 ALA H H 21 8.660 8.660 8.600 0.060 18547 16176 1 17 . 1 1 32 32 ARG N N 22 120.400 120.400 117.526 2.874 18547 16177 1 17 . 1 1 32 32 ARG HA H 22 4.950 4.950 4.827 0.123 18547 16178 1 17 . 1 1 32 32 ARG C C 22 173.400 173.400 175.706 -2.306 18547 16179 1 17 . 1 1 32 32 ARG CA C 22 55.500 55.500 53.966 1.534 18547 16180 1 17 . 1 1 32 32 ARG CB C 22 32.500 32.500 32.617 -0.117 18547 16181 1 17 . 1 1 32 32 ARG H H 22 8.090 8.090 8.115 -0.025 18547 16182 1 17 . 1 1 33 33 SER N N 23 113.800 113.800 114.800 -1.000 18547 16183 1 17 . 1 1 33 33 SER HA H 23 5.560 5.560 5.537 0.023 18547 16184 1 17 . 1 1 33 33 SER C C 23 174.500 174.500 173.784 0.716 18547 16185 1 17 . 1 1 33 33 SER CA C 23 55.600 55.600 56.624 -1.024 18547 16186 1 17 . 1 1 33 33 SER CB C 23 67.300 67.300 66.179 1.121 18547 16187 1 17 . 1 1 33 33 SER H H 23 8.080 8.080 8.784 -0.704 18547 16188 1 17 . 1 1 34 34 ILE N N 24 112.700 112.700 119.609 -6.909 18547 16189 1 17 . 1 1 34 34 ILE HA H 24 4.950 4.950 4.621 0.329 18547 16190 1 17 . 1 1 34 34 ILE C C 24 175.400 175.400 174.426 0.974 18547 16191 1 17 . 1 1 34 34 ILE CA C 24 58.300 58.300 60.533 -2.233 18547 16192 1 17 . 1 1 34 34 ILE CB C 24 39.900 39.900 38.547 1.353 18547 16193 1 17 . 1 1 34 34 ILE H H 24 7.980 7.980 8.236 -0.256 18547 16194 1 17 . 1 1 35 35 ILE N N 25 121.800 121.800 126.434 -4.634 18547 16195 1 17 . 1 1 35 35 ILE HA H 25 4.960 4.960 4.931 0.029 18547 16196 1 17 . 1 1 35 35 ILE C C 25 174.800 174.800 174.989 -0.189 18547 16197 1 17 . 1 1 35 35 ILE CA C 25 60.700 60.700 59.908 0.792 18547 16198 1 17 . 1 1 35 35 ILE CB C 25 41.300 41.300 40.457 0.843 18547 16199 1 17 . 1 1 35 35 ILE H H 25 8.960 8.960 8.525 0.435 18547 16200 1 17 . 1 1 36 36 ILE N N 26 127.900 127.900 127.761 0.139 18547 16201 1 17 . 1 1 36 36 ILE HA H 26 4.770 4.770 4.600 0.170 18547 16202 1 17 . 1 1 36 36 ILE C C 26 175.000 175.000 175.067 -0.067 18547 16203 1 17 . 1 1 36 36 ILE CA C 26 59.900 59.900 60.495 -0.595 18547 16204 1 17 . 1 1 36 36 ILE CB C 26 42.100 42.100 38.130 3.970 18547 16205 1 17 . 1 1 36 36 ILE H H 26 9.210 9.210 8.844 0.366 18547 16206 1 17 . 1 1 37 37 ARG N N 27 124.100 124.100 127.333 -3.233 18547 16207 1 17 . 1 1 37 37 ARG HA H 27 5.850 5.850 5.306 0.544 18547 16208 1 17 . 1 1 37 37 ARG C C 27 176.200 176.200 175.697 0.503 18547 16209 1 17 . 1 1 37 37 ARG CA C 27 54.100 54.100 54.571 -0.471 18547 16210 1 17 . 1 1 37 37 ARG CB C 27 32.900 32.900 33.046 -0.146 18547 16211 1 17 . 1 1 37 37 ARG H H 27 8.670 8.670 8.819 -0.149 18547 16212 1 17 . 1 1 38 38 GLN N N 28 122.900 122.900 119.445 3.455 18547 16213 1 17 . 1 1 38 38 GLN HA H 28 4.710 4.710 4.741 -0.031 18547 16214 1 17 . 1 1 38 38 GLN C C 28 173.200 173.200 173.684 -0.484 18547 16215 1 17 . 1 1 38 38 GLN CA C 28 54.400 54.400 55.695 -1.295 18547 16216 1 17 . 1 1 38 38 GLN CB C 28 35.200 35.200 32.881 2.319 18547 16217 1 17 . 1 1 38 38 GLN H H 28 9.310 9.310 8.569 0.741 18547 16218 1 17 . 1 1 39 39 ARG N N 29 121.400 121.400 127.376 -5.976 18547 16219 1 17 . 1 1 39 39 ARG HA H 29 5.260 5.260 5.148 0.112 18547 16220 1 17 . 1 1 39 39 ARG C C 29 175.400 175.400 175.919 -0.519 18547 16221 1 17 . 1 1 39 39 ARG CA C 29 55.100 55.100 54.628 0.472 18547 16222 1 17 . 1 1 39 39 ARG CB C 29 32.500 32.500 30.157 2.343 18547 16223 1 17 . 1 1 39 39 ARG H H 29 8.510 8.510 8.064 0.446 18547 16224 1 17 . 1 1 40 40 TYR N N 30 120.000 120.000 124.889 -4.889 18547 16225 1 17 . 1 1 40 40 TYR HA H 30 4.600 4.600 4.474 0.126 18547 16226 1 17 . 1 1 40 40 TYR C C 30 175.600 175.600 176.507 -0.907 18547 16227 1 17 . 1 1 40 40 TYR CA C 30 56.900 56.900 58.287 -1.387 18547 16228 1 17 . 1 1 40 40 TYR CB C 30 42.700 42.700 40.039 2.661 18547 16229 1 17 . 1 1 40 40 TYR H H 30 9.140 9.140 8.585 0.555 18547 16230 1 17 . 1 1 41 41 ASP N N 31 126.400 126.400 121.719 4.681 18547 16231 1 17 . 1 1 41 41 ASP HA H 31 4.880 4.880 4.451 0.429 18547 16232 1 17 . 1 1 41 41 ASP C C 31 174.500 174.500 175.643 -1.143 18547 16233 1 17 . 1 1 41 41 ASP CA C 31 53.200 53.200 54.999 -1.800 18547 16234 1 17 . 1 1 41 41 ASP CB C 31 39.200 39.200 40.663 -1.464 18547 16235 1 17 . 1 1 41 41 ASP H H 31 9.140 9.140 8.900 0.240 18547 16236 1 17 . 1 1 42 42 ALA N N 32 123.100 123.100 123.926 -0.826 18547 16237 1 17 . 1 1 42 42 ALA HA H 32 4.690 4.690 4.499 0.191 18547 16238 1 17 . 1 1 42 42 ALA CA C 32 50.100 50.100 50.140 -0.040 18547 16239 1 17 . 1 1 42 42 ALA CB C 32 20.200 20.200 19.305 0.895 18547 16240 1 17 . 1 1 42 42 ALA H H 32 7.770 7.770 7.751 0.019 18547 16241 1 17 . 1 1 43 43 PRO HA H 33 4.650 4.650 4.409 0.241 18547 16242 1 17 . 1 1 43 43 PRO C C 33 178.100 178.100 177.761 0.339 18547 16243 1 17 . 1 1 43 43 PRO CA C 33 62.000 62.000 62.693 -0.693 18547 16244 1 17 . 1 1 43 43 PRO CB C 33 33.000 33.000 32.586 0.415 18547 16245 1 17 . 1 1 44 44 VAL N N 34 123.500 123.500 121.617 1.883 18547 16246 1 17 . 1 1 44 44 VAL HA H 34 3.960 3.960 3.598 0.362 18547 16247 1 17 . 1 1 44 44 VAL C C 34 177.500 177.500 177.877 -0.377 18547 16248 1 17 . 1 1 44 44 VAL CA C 34 66.000 66.000 66.680 -0.680 18547 16249 1 17 . 1 1 44 44 VAL CB C 34 32.000 32.000 31.862 0.138 18547 16250 1 17 . 1 1 44 44 VAL H H 34 8.570 8.570 8.706 -0.136 18547 16251 1 17 . 1 1 45 45 ASP N N 35 116.200 116.200 118.650 -2.450 18547 16252 1 17 . 1 1 45 45 ASP HA H 35 4.290 4.290 4.324 -0.034 18547 16253 1 17 . 1 1 45 45 ASP C C 35 178.800 178.800 178.815 -0.015 18547 16254 1 17 . 1 1 45 45 ASP CA C 35 57.500 57.500 57.934 -0.433 18547 16255 1 17 . 1 1 45 45 ASP CB C 35 40.400 40.400 40.206 0.194 18547 16256 1 17 . 1 1 45 45 ASP H H 35 8.520 8.520 8.700 -0.180 18547 16257 1 17 . 1 1 46 46 GLU N N 36 120.100 120.100 119.155 0.945 18547 16258 1 17 . 1 1 46 46 GLU HA H 36 4.260 4.260 4.130 0.130 18547 16259 1 17 . 1 1 46 46 GLU C C 36 179.000 179.000 178.981 0.019 18547 16260 1 17 . 1 1 46 46 GLU CA C 36 58.400 58.400 58.759 -0.359 18547 16261 1 17 . 1 1 46 46 GLU CB C 36 29.700 29.700 29.707 -0.007 18547 16262 1 17 . 1 1 46 46 GLU H H 36 7.360 7.360 7.775 -0.415 18547 16263 1 17 . 1 1 47 47 VAL N N 37 121.800 121.800 119.921 1.879 18547 16264 1 17 . 1 1 47 47 VAL HA H 37 3.370 3.370 3.640 -0.270 18547 16265 1 17 . 1 1 47 47 VAL C C 37 177.100 177.100 177.076 0.024 18547 16266 1 17 . 1 1 47 47 VAL CA C 37 66.900 66.900 66.740 0.160 18547 16267 1 17 . 1 1 47 47 VAL CB C 37 31.000 31.000 31.622 -0.622 18547 16268 1 17 . 1 1 47 47 VAL H H 37 7.680 7.680 7.542 0.138 18547 16269 1 17 . 1 1 48 48 TRP N N 38 119.800 119.800 121.306 -1.506 18547 16270 1 17 . 1 1 48 48 TRP HA H 38 3.990 3.990 4.320 -0.330 18547 16271 1 17 . 1 1 48 48 TRP C C 38 180.700 180.700 177.941 2.759 18547 16272 1 17 . 1 1 48 48 TRP CA C 38 60.900 60.900 60.089 0.811 18547 16273 1 17 . 1 1 48 48 TRP CB C 38 29.300 29.300 29.916 -0.616 18547 16274 1 17 . 1 1 48 48 TRP H H 38 9.160 9.160 8.673 0.487 18547 16275 1 17 . 1 1 49 49 SER N N 39 116.100 116.100 115.811 0.289 18547 16276 1 17 . 1 1 49 49 SER HA H 39 4.010 4.010 4.153 -0.143 18547 16277 1 17 . 1 1 49 49 SER C C 39 175.700 175.700 176.479 -0.779 18547 16278 1 17 . 1 1 49 49 SER CA C 39 62.700 62.700 61.964 0.736 18547 16279 1 17 . 1 1 49 49 SER CB C 39 62.700 62.700 63.123 -0.423 18547 16280 1 17 . 1 1 49 49 SER H H 39 8.230 8.230 7.998 0.232 18547 16281 1 17 . 1 1 50 50 ALA N N 40 122.300 122.300 124.536 -2.236 18547 16282 1 17 . 1 1 50 50 ALA HA H 40 4.020 4.020 4.184 -0.164 18547 16283 1 17 . 1 1 50 50 ALA C C 40 176.700 176.700 179.644 -2.944 18547 16284 1 17 . 1 1 50 50 ALA CA C 40 55.200 55.200 55.213 -0.013 18547 16285 1 17 . 1 1 50 50 ALA CB C 40 18.800 18.800 18.158 0.642 18547 16286 1 17 . 1 1 50 50 ALA H H 40 7.770 7.770 7.721 0.049 18547 16287 1 17 . 1 1 51 51 CYS N N 41 109.400 109.400 114.610 -5.210 18547 16288 1 17 . 1 1 51 51 CYS HA H 41 4.510 4.510 4.383 0.127 18547 16289 1 17 . 1 1 51 51 CYS C C 41 172.200 172.200 176.211 -4.011 18547 16290 1 17 . 1 1 51 51 CYS CA C 41 61.100 61.100 62.361 -1.261 18547 16291 1 17 . 1 1 51 51 CYS CB C 41 29.800 29.800 27.255 2.545 18547 16292 1 17 . 1 1 51 51 CYS H H 41 7.080 7.080 8.013 -0.933 18547 16293 1 17 . 1 1 52 52 THR N N 42 100.100 100.100 110.299 -10.199 18547 16294 1 17 . 1 1 52 52 THR HA H 42 4.240 4.240 4.156 0.084 18547 16295 1 17 . 1 1 52 52 THR C C 42 173.500 173.500 174.359 -0.859 18547 16296 1 17 . 1 1 52 52 THR CA C 42 62.200 62.200 62.036 0.164 18547 16297 1 17 . 1 1 52 52 THR CB C 42 71.800 71.800 69.954 1.846 18547 16298 1 17 . 1 1 52 52 THR H H 42 6.800 6.800 7.360 -0.560 18547 16299 1 17 . 1 1 53 53 ASP N N 43 123.000 123.000 124.631 -1.631 18547 16300 1 17 . 1 1 53 53 ASP HA H 43 5.080 5.080 4.858 0.222 18547 16301 1 17 . 1 1 53 53 ASP CA C 43 50.600 50.600 52.017 -1.417 18547 16302 1 17 . 1 1 53 53 ASP CB C 43 42.000 42.000 42.268 -0.268 18547 16303 1 17 . 1 1 53 53 ASP H H 43 8.040 8.040 7.779 0.261 18547 16304 1 17 . 1 1 54 54 PRO HA H 44 3.960 3.960 4.141 -0.181 18547 16305 1 17 . 1 1 54 54 PRO C C 44 176.300 176.300 177.446 -1.146 18547 16306 1 17 . 1 1 54 54 PRO CA C 44 65.900 65.900 65.361 0.539 18547 16307 1 17 . 1 1 54 54 PRO CB C 44 32.700 32.700 31.898 0.802 18547 16308 1 17 . 1 1 55 55 ASN N N 45 112.700 112.700 113.631 -0.931 18547 16309 1 17 . 1 1 55 55 ASN HA H 45 4.520 4.520 4.739 -0.219 18547 16310 1 17 . 1 1 55 55 ASN C C 45 175.900 175.900 176.602 -0.702 18547 16311 1 17 . 1 1 55 55 ASN CA C 45 55.100 55.100 54.994 0.106 18547 16312 1 17 . 1 1 55 55 ASN CB C 45 38.900 38.900 38.512 0.388 18547 16313 1 17 . 1 1 55 55 ASN H H 45 8.160 8.160 8.266 -0.106 18547 16314 1 17 . 1 1 56 56 ARG N N 46 117.700 117.700 118.278 -0.578 18547 16315 1 17 . 1 1 56 56 ARG HA H 46 4.250 4.250 4.511 -0.261 18547 16316 1 17 . 1 1 56 56 ARG C C 46 177.100 177.100 178.513 -1.413 18547 16317 1 17 . 1 1 56 56 ARG CA C 46 58.400 58.400 58.026 0.374 18547 16318 1 17 . 1 1 56 56 ARG CB C 46 31.800 31.800 31.248 0.552 18547 16319 1 17 . 1 1 56 56 ARG H H 46 7.940 7.940 7.862 0.078 18547 16320 1 17 . 1 1 57 57 ILE N N 47 120.100 120.100 121.169 -1.069 18547 16321 1 17 . 1 1 57 57 ILE HA H 47 3.420 3.420 3.350 0.070 18547 16322 1 17 . 1 1 57 57 ILE C C 47 177.400 177.400 176.468 0.932 18547 16323 1 17 . 1 1 57 57 ILE CA C 47 64.400 64.400 64.434 -0.034 18547 16324 1 17 . 1 1 57 57 ILE CB C 47 39.500 39.500 37.722 1.778 18547 16325 1 17 . 1 1 57 57 ILE H H 47 8.610 8.610 7.753 0.857 18547 16326 1 17 . 1 1 58 58 ASN N N 48 112.100 112.100 117.013 -4.913 18547 16327 1 17 . 1 1 58 58 ASN HA H 48 3.780 3.780 4.341 -0.561 18547 16328 1 17 . 1 1 58 58 ASN C C 48 175.300 175.300 176.440 -1.140 18547 16329 1 17 . 1 1 58 58 ASN CA C 48 54.400 54.400 55.119 -0.719 18547 16330 1 17 . 1 1 58 58 ASN CB C 48 38.200 38.200 38.057 0.143 18547 16331 1 17 . 1 1 58 58 ASN H H 48 7.440 7.440 8.008 -0.568 18547 16332 1 17 . 1 1 59 59 ARG N N 49 115.600 115.600 120.245 -4.645 18547 16333 1 17 . 1 1 59 59 ARG HA H 49 4.120 4.120 4.419 -0.299 18547 16334 1 17 . 1 1 59 59 ARG C C 49 174.700 174.700 176.049 -1.349 18547 16335 1 17 . 1 1 59 59 ARG CA C 49 55.900 55.900 57.087 -1.187 18547 16336 1 17 . 1 1 59 59 ARG CB C 49 29.900 29.900 31.677 -1.778 18547 16337 1 17 . 1 1 59 59 ARG H H 49 7.370 7.370 7.438 -0.068 18547 16338 1 17 . 1 1 60 60 TRP N N 50 112.500 112.500 115.469 -2.969 18547 16339 1 17 . 1 1 60 60 TRP HA H 50 4.860 4.860 4.913 -0.053 18547 16340 1 17 . 1 1 60 60 TRP C C 50 173.400 173.400 174.888 -1.488 18547 16341 1 17 . 1 1 60 60 TRP CA C 50 55.800 55.800 56.555 -0.755 18547 16342 1 17 . 1 1 60 60 TRP CB C 50 31.500 31.500 30.691 0.809 18547 16343 1 17 . 1 1 60 60 TRP H H 50 6.860 6.860 7.064 -0.204 18547 16344 1 17 . 1 1 61 61 PHE N N 51 126.400 126.400 120.312 6.088 18547 16345 1 17 . 1 1 61 61 PHE HA H 51 4.690 4.690 4.548 0.142 18547 16346 1 17 . 1 1 61 61 PHE C C 51 173.000 173.000 173.884 -0.884 18547 16347 1 17 . 1 1 61 61 PHE CA C 51 55.000 55.000 57.559 -2.559 18547 16348 1 17 . 1 1 61 61 PHE CB C 51 37.600 37.600 41.208 -3.608 18547 16349 1 17 . 1 1 61 61 PHE H H 51 7.830 7.830 7.312 0.518 18547 16350 1 17 . 1 1 62 62 ILE N N 52 126.800 126.800 119.002 7.798 18547 16351 1 17 . 1 1 62 62 ILE HA H 52 3.760 3.760 4.167 -0.407 18547 16352 1 17 . 1 1 62 62 ILE C C 52 172.600 172.600 173.911 -1.311 18547 16353 1 17 . 1 1 62 62 ILE CA C 52 59.900 59.900 59.739 0.161 18547 16354 1 17 . 1 1 62 62 ILE CB C 52 41.600 41.600 41.848 -0.248 18547 16355 1 17 . 1 1 62 62 ILE H H 52 6.010 6.010 7.447 -1.437 18547 16356 1 17 . 1 1 63 63 GLU N N 53 124.400 124.400 123.259 1.141 18547 16357 1 17 . 1 1 63 63 GLU HA H 53 3.850 3.850 4.304 -0.454 18547 16358 1 17 . 1 1 63 63 GLU CA C 53 54.800 54.800 54.491 0.309 18547 16359 1 17 . 1 1 63 63 GLU CB C 53 31.700 31.700 28.915 2.785 18547 16360 1 17 . 1 1 63 63 GLU H H 53 8.280 8.280 8.392 -0.112 18547 16361 1 17 . 1 1 64 64 PRO HA H 54 4.920 4.920 5.113 -0.193 18547 16362 1 17 . 1 1 64 64 PRO C C 54 175.500 175.500 176.255 -0.755 18547 16363 1 17 . 1 1 64 64 PRO CA C 54 62.000 62.000 61.775 0.225 18547 16364 1 17 . 1 1 64 64 PRO CB C 54 31.800 31.800 33.410 -1.610 18547 16365 1 17 . 1 1 65 65 LYS N N 55 120.200 120.200 123.425 -3.225 18547 16366 1 17 . 1 1 65 65 LYS HA H 55 4.780 4.780 4.758 0.022 18547 16367 1 17 . 1 1 65 65 LYS C C 55 176.000 176.000 175.491 0.509 18547 16368 1 17 . 1 1 65 65 LYS CA C 55 54.200 54.200 54.962 -0.762 18547 16369 1 17 . 1 1 65 65 LYS CB C 55 35.300 35.300 35.999 -0.699 18547 16370 1 17 . 1 1 65 65 LYS H H 55 8.370 8.370 8.942 -0.572 18547 16371 1 17 . 1 1 66 66 GLY N N 56 109.400 109.400 109.738 -0.338 18547 16372 1 17 . 1 1 66 66 GLY C C 56 171.400 171.400 173.369 -1.969 18547 16373 1 17 . 1 1 66 66 GLY CA C 56 45.400 45.400 45.699 -0.299 18547 16374 1 17 . 1 1 66 66 GLY H H 56 8.640 8.640 7.901 0.739 18547 16375 1 17 . 1 1 67 67 ASP N N 57 123.800 123.800 120.794 3.006 18547 16376 1 17 . 1 1 67 67 ASP HA H 57 4.900 4.900 4.657 0.243 18547 16377 1 17 . 1 1 67 67 ASP C C 57 175.600 175.600 177.364 -1.764 18547 16378 1 17 . 1 1 67 67 ASP CA C 57 52.400 52.400 54.809 -2.409 18547 16379 1 17 . 1 1 67 67 ASP CB C 57 40.700 40.700 41.724 -1.024 18547 16380 1 17 . 1 1 67 67 ASP H H 57 7.790 7.790 8.522 -0.732 18547 16381 1 17 . 1 1 68 68 LEU N N 58 122.800 122.800 114.053 8.747 18547 16382 1 17 . 1 1 68 68 LEU HA H 58 4.270 4.270 3.985 0.285 18547 16383 1 17 . 1 1 68 68 LEU C C 58 173.700 173.700 176.916 -3.216 18547 16384 1 17 . 1 1 68 68 LEU CA C 58 54.500 54.500 56.393 -1.893 18547 16385 1 17 . 1 1 68 68 LEU CB C 58 38.300 38.300 40.586 -2.286 18547 16386 1 17 . 1 1 68 68 LEU H H 58 8.330 8.330 8.088 0.242 18547 16387 1 17 . 1 1 69 69 ARG N N 59 121.800 121.800 118.551 3.249 18547 16388 1 17 . 1 1 69 69 ARG HA H 59 4.710 4.710 4.498 0.212 18547 16389 1 17 . 1 1 69 69 ARG CA C 59 54.100 54.100 54.493 -0.393 18547 16390 1 17 . 1 1 69 69 ARG CB C 59 31.800 31.800 31.550 0.249 18547 16391 1 17 . 1 1 69 69 ARG H H 59 8.120 8.120 7.489 0.631 18547 16392 1 17 . 1 1 70 70 GLU N N 60 122.800 122.800 120.830 1.970 18547 16393 1 17 . 1 1 70 70 GLU HA H 60 3.870 3.870 4.033 -0.163 18547 16394 1 17 . 1 1 70 70 GLU C C 60 177.200 177.200 177.756 -0.556 18547 16395 1 17 . 1 1 70 70 GLU CA C 60 60.000 60.000 58.025 1.975 18547 16396 1 17 . 1 1 70 70 GLU CB C 60 30.200 30.200 29.557 0.643 18547 16397 1 17 . 1 1 70 70 GLU H H 60 9.130 9.130 8.538 0.592 18547 16398 1 17 . 1 1 71 71 GLY N N 61 117.100 117.100 114.907 2.193 18547 16399 1 17 . 1 1 71 71 GLY C C 61 174.900 174.900 174.092 0.808 18547 16400 1 17 . 1 1 71 71 GLY CA C 61 45.600 45.600 44.950 0.650 18547 16401 1 17 . 1 1 71 71 GLY H H 61 8.710 8.710 8.348 0.362 18547 16402 1 17 . 1 1 72 72 GLY N N 62 110.300 110.300 109.538 0.762 18547 16403 1 17 . 1 1 72 72 GLY C C 62 174.200 174.200 172.639 1.561 18547 16404 1 17 . 1 1 72 72 GLY CA C 62 43.400 43.400 44.011 -0.611 18547 16405 1 17 . 1 1 72 72 GLY H H 62 8.760 8.760 8.265 0.495 18547 16406 1 17 . 1 1 73 73 ASN N N 63 117.800 117.800 116.578 1.222 18547 16407 1 17 . 1 1 73 73 ASN HA H 63 5.490 5.490 5.095 0.395 18547 16408 1 17 . 1 1 73 73 ASN C C 63 171.400 171.400 173.530 -2.130 18547 16409 1 17 . 1 1 73 73 ASN CA C 63 52.900 52.900 52.193 0.707 18547 16410 1 17 . 1 1 73 73 ASN CB C 63 41.500 41.500 41.651 -0.151 18547 16411 1 17 . 1 1 73 73 ASN H H 63 8.890 8.890 8.226 0.664 18547 16412 1 17 . 1 1 74 74 PHE N N 64 113.500 113.500 114.311 -0.811 18547 16413 1 17 . 1 1 74 74 PHE HA H 64 5.500 5.500 5.052 0.448 18547 16414 1 17 . 1 1 74 74 PHE C C 64 173.200 173.200 172.812 0.388 18547 16415 1 17 . 1 1 74 74 PHE CA C 64 55.900 55.900 56.109 -0.209 18547 16416 1 17 . 1 1 74 74 PHE CB C 64 44.600 44.600 42.376 2.224 18547 16417 1 17 . 1 1 74 74 PHE H H 64 8.700 8.700 8.543 0.157 18547 16418 1 17 . 1 1 75 75 ALA N N 65 122.200 122.200 122.318 -0.118 18547 16419 1 17 . 1 1 75 75 ALA HA H 65 4.350 4.350 4.826 -0.476 18547 16420 1 17 . 1 1 75 75 ALA C C 65 176.000 176.000 175.132 0.868 18547 16421 1 17 . 1 1 75 75 ALA CA C 65 52.500 52.500 51.059 1.441 18547 16422 1 17 . 1 1 75 75 ALA CB C 65 21.800 21.800 22.253 -0.453 18547 16423 1 17 . 1 1 75 75 ALA H H 65 8.690 8.690 8.602 0.088 18547 16424 1 17 . 1 1 76 76 LEU N N 66 123.800 123.800 123.659 0.141 18547 16425 1 17 . 1 1 76 76 LEU HA H 66 4.520 4.520 4.512 0.008 18547 16426 1 17 . 1 1 76 76 LEU C C 66 175.800 175.800 177.898 -2.098 18547 16427 1 17 . 1 1 76 76 LEU CA C 66 52.500 52.500 56.047 -3.547 18547 16428 1 17 . 1 1 76 76 LEU CB C 66 42.400 42.400 42.891 -0.491 18547 16429 1 17 . 1 1 76 76 LEU H H 66 8.350 8.350 8.311 0.039 18547 16430 1 17 . 1 1 77 77 GLN N N 67 127.400 127.400 115.541 11.859 18547 16431 1 17 . 1 1 77 77 GLN HA H 67 3.900 3.900 4.330 -0.430 18547 16432 1 17 . 1 1 77 77 GLN C C 67 176.600 176.600 175.682 0.918 18547 16433 1 17 . 1 1 77 77 GLN CA C 67 57.800 57.800 55.839 1.961 18547 16434 1 17 . 1 1 77 77 GLN CB C 67 28.000 28.000 31.091 -3.091 18547 16435 1 17 . 1 1 77 77 GLN H H 67 8.590 8.590 8.178 0.412 18547 16436 1 17 . 1 1 78 78 GLY N N 68 114.800 114.800 108.158 6.642 18547 16437 1 17 . 1 1 78 78 GLY C C 68 173.700 173.700 173.067 0.633 18547 16438 1 17 . 1 1 78 78 GLY CA C 68 45.700 45.700 45.209 0.491 18547 16439 1 17 . 1 1 78 78 GLY H H 68 8.920 8.920 8.125 0.795 18547 16440 1 17 . 1 1 79 79 ASN N N 69 124.000 124.000 117.411 6.589 18547 16441 1 17 . 1 1 79 79 ASN HA H 69 4.600 4.600 4.413 0.187 18547 16442 1 17 . 1 1 79 79 ASN C C 69 173.300 173.300 172.660 0.640 18547 16443 1 17 . 1 1 79 79 ASN CA C 69 52.900 52.900 53.423 -0.523 18547 16444 1 17 . 1 1 79 79 ASN CB C 69 41.600 41.600 40.255 1.345 18547 16445 1 17 . 1 1 79 79 ASN H H 69 8.360 8.360 8.007 0.353 18547 16446 1 17 . 1 1 80 80 ALA N N 70 127.200 127.200 119.328 7.872 18547 16447 1 17 . 1 1 80 80 ALA HA H 70 4.170 4.170 4.388 -0.218 18547 16448 1 17 . 1 1 80 80 ALA C C 70 174.500 174.500 174.833 -0.333 18547 16449 1 17 . 1 1 80 80 ALA CA C 70 52.500 52.500 51.074 1.426 18547 16450 1 17 . 1 1 80 80 ALA CB C 70 18.600 18.600 20.795 -2.195 18547 16451 1 17 . 1 1 80 80 ALA H H 70 8.930 8.930 7.532 1.398 18547 16452 1 17 . 1 1 81 81 SER N N 71 111.000 111.000 114.093 -3.093 18547 16453 1 17 . 1 1 81 81 SER HA H 71 4.170 4.170 4.896 -0.726 18547 16454 1 17 . 1 1 81 81 SER C C 71 170.900 170.900 173.398 -2.498 18547 16455 1 17 . 1 1 81 81 SER CA C 71 56.300 56.300 56.408 -0.108 18547 16456 1 17 . 1 1 81 81 SER CB C 71 66.600 66.600 66.609 -0.009 18547 16457 1 17 . 1 1 81 81 SER H H 71 7.980 7.980 7.783 0.197 18547 16458 1 17 . 1 1 82 82 GLY N N 72 102.700 102.700 108.364 -5.664 18547 16459 1 17 . 1 1 82 82 GLY C C 72 171.700 171.700 171.948 -0.248 18547 16460 1 17 . 1 1 82 82 GLY CA C 72 46.200 46.200 45.487 0.713 18547 16461 1 17 . 1 1 82 82 GLY H H 72 6.940 6.940 8.064 -1.124 18547 16462 1 17 . 1 1 83 83 ASP N N 73 117.900 117.900 119.150 -1.250 18547 16463 1 17 . 1 1 83 83 ASP HA H 73 5.430 5.430 5.335 0.095 18547 16464 1 17 . 1 1 83 83 ASP C C 73 176.100 176.100 175.498 0.602 18547 16465 1 17 . 1 1 83 83 ASP CA C 73 52.700 52.700 53.167 -0.467 18547 16466 1 17 . 1 1 83 83 ASP CB C 73 43.600 43.600 45.336 -1.736 18547 16467 1 17 . 1 1 83 83 ASP H H 73 8.770 8.770 8.381 0.389 18547 16468 1 17 . 1 1 84 84 ILE N N 74 120.200 120.200 121.111 -0.911 18547 16469 1 17 . 1 1 84 84 ILE HA H 74 4.530 4.530 4.395 0.135 18547 16470 1 17 . 1 1 84 84 ILE C C 74 175.600 175.600 176.761 -1.161 18547 16471 1 17 . 1 1 84 84 ILE CA C 74 61.700 61.700 59.122 2.578 18547 16472 1 17 . 1 1 84 84 ILE CB C 74 36.700 36.700 36.013 0.687 18547 16473 1 17 . 1 1 84 84 ILE H H 74 8.060 8.060 8.438 -0.378 18547 16474 1 17 . 1 1 85 85 LEU N N 75 130.400 130.400 128.574 1.826 18547 16475 1 17 . 1 1 85 85 LEU HA H 75 4.330 4.330 4.278 0.052 18547 16476 1 17 . 1 1 85 85 LEU C C 75 178.100 178.100 177.063 1.037 18547 16477 1 17 . 1 1 85 85 LEU CA C 75 57.000 57.000 56.736 0.264 18547 16478 1 17 . 1 1 85 85 LEU CB C 75 42.000 42.000 42.660 -0.660 18547 16479 1 17 . 1 1 85 85 LEU H H 75 8.710 8.710 8.299 0.411 18547 16480 1 17 . 1 1 86 86 ARG N N 76 115.700 115.700 117.605 -1.905 18547 16481 1 17 . 1 1 86 86 ARG HA H 76 4.840 4.840 4.591 0.249 18547 16482 1 17 . 1 1 86 86 ARG C C 76 174.900 174.900 173.883 1.017 18547 16483 1 17 . 1 1 86 86 ARG CA C 76 54.700 54.700 55.930 -1.230 18547 16484 1 17 . 1 1 86 86 ARG CB C 76 33.900 33.900 32.335 1.565 18547 16485 1 17 . 1 1 86 86 ARG H H 76 8.130 8.130 7.781 0.349 18547 16486 1 17 . 1 1 87 87 CYS N N 77 127.100 127.100 124.080 3.020 18547 16487 1 17 . 1 1 87 87 CYS HA H 77 5.130 5.130 5.174 -0.044 18547 16488 1 17 . 1 1 87 87 CYS C C 77 171.700 171.700 174.632 -2.932 18547 16489 1 17 . 1 1 87 87 CYS CA C 77 54.600 54.600 56.973 -2.373 18547 16490 1 17 . 1 1 87 87 CYS CB C 77 33.000 33.000 28.367 4.633 18547 16491 1 17 . 1 1 87 87 CYS H H 77 10.630 10.630 8.721 1.909 18547 16492 1 17 . 1 1 88 88 GLU N N 78 128.200 128.200 126.691 1.509 18547 16493 1 17 . 1 1 88 88 GLU HA H 78 4.950 4.950 4.706 0.244 18547 16494 1 17 . 1 1 88 88 GLU CA C 78 52.100 52.100 53.498 -1.397 18547 16495 1 17 . 1 1 88 88 GLU CB C 78 30.500 30.500 30.654 -0.154 18547 16496 1 17 . 1 1 88 88 GLU H H 78 9.460 9.460 8.905 0.555 18547 16497 1 17 . 1 1 89 89 PRO HA H 79 2.780 2.780 3.679 -0.899 18547 16498 1 17 . 1 1 89 89 PRO CA C 79 60.500 60.500 61.202 -0.702 18547 16499 1 17 . 1 1 89 89 PRO CB C 79 31.600 31.600 31.351 0.249 18547 16500 1 17 . 1 1 90 90 PRO HA H 80 2.250 2.250 2.878 -0.628 18547 16501 1 17 . 1 1 90 90 PRO C C 80 171.400 171.400 176.156 -4.756 18547 16502 1 17 . 1 1 90 90 PRO CA C 80 63.700 63.700 61.404 2.296 18547 16503 1 17 . 1 1 90 90 PRO CB C 80 30.500 30.500 32.309 -1.809 18547 16504 1 17 . 1 1 91 91 ARG N N 81 113.700 113.700 120.151 -6.451 18547 16505 1 17 . 1 1 91 91 ARG HA H 81 4.700 4.700 3.886 0.814 18547 16506 1 17 . 1 1 91 91 ARG C C 81 176.500 176.500 175.440 1.060 18547 16507 1 17 . 1 1 91 91 ARG CA C 81 57.400 57.400 58.539 -1.139 18547 16508 1 17 . 1 1 91 91 ARG CB C 81 34.200 34.200 30.910 3.290 18547 16509 1 17 . 1 1 91 91 ARG H H 81 7.640 7.640 7.303 0.337 18547 16510 1 17 . 1 1 92 92 ARG N N 82 121.000 121.000 113.101 7.899 18547 16511 1 17 . 1 1 92 92 ARG HA H 82 5.700 5.700 5.105 0.595 18547 16512 1 17 . 1 1 92 92 ARG C C 82 172.700 172.700 173.694 -0.994 18547 16513 1 17 . 1 1 92 92 ARG CA C 82 55.900 55.900 54.675 1.225 18547 16514 1 17 . 1 1 92 92 ARG CB C 82 34.100 34.100 33.871 0.229 18547 16515 1 17 . 1 1 92 92 ARG H H 82 7.710 7.710 7.653 0.057 18547 16516 1 17 . 1 1 93 93 LEU N N 83 130.800 130.800 122.134 8.666 18547 16517 1 17 . 1 1 93 93 LEU HA H 83 5.250 5.250 5.153 0.097 18547 16518 1 17 . 1 1 93 93 LEU C C 83 174.000 174.000 175.000 -1.000 18547 16519 1 17 . 1 1 93 93 LEU CA C 83 53.700 53.700 53.853 -0.153 18547 16520 1 17 . 1 1 93 93 LEU CB C 83 47.100 47.100 46.102 0.997 18547 16521 1 17 . 1 1 93 93 LEU H H 83 9.080 9.080 8.819 0.261 18547 16522 1 17 . 1 1 94 94 THR N N 84 124.200 124.200 121.275 2.925 18547 16523 1 17 . 1 1 94 94 THR HA H 84 5.340 5.340 5.257 0.083 18547 16524 1 17 . 1 1 94 94 THR C C 84 174.100 174.100 173.758 0.342 18547 16525 1 17 . 1 1 94 94 THR CA C 84 62.700 62.700 61.668 1.032 18547 16526 1 17 . 1 1 94 94 THR CB C 84 69.600 69.600 70.669 -1.069 18547 16527 1 17 . 1 1 94 94 THR H H 84 9.310 9.310 8.192 1.118 18547 16528 1 17 . 1 1 95 95 ILE N N 85 121.600 121.600 120.951 0.649 18547 16529 1 17 . 1 1 95 95 ILE HA H 85 5.630 5.630 5.095 0.535 18547 16530 1 17 . 1 1 95 95 ILE C C 85 175.000 175.000 173.784 1.216 18547 16531 1 17 . 1 1 95 95 ILE CA C 85 59.300 59.300 59.338 -0.038 18547 16532 1 17 . 1 1 95 95 ILE CB C 85 40.900 40.900 42.264 -1.364 18547 16533 1 17 . 1 1 95 95 ILE H H 85 9.700 9.700 9.103 0.597 18547 16534 1 17 . 1 1 96 96 SER N N 86 117.900 117.900 117.438 0.462 18547 16535 1 17 . 1 1 96 96 SER HA H 86 5.270 5.270 5.336 -0.066 18547 16536 1 17 . 1 1 96 96 SER C C 86 172.200 172.200 174.413 -2.213 18547 16537 1 17 . 1 1 96 96 SER CA C 86 57.600 57.600 57.269 0.331 18547 16538 1 17 . 1 1 96 96 SER CB C 86 65.700 65.700 64.947 0.753 18547 16539 1 17 . 1 1 96 96 SER H H 86 9.290 9.290 8.659 0.631 18547 16540 1 17 . 1 1 97 97 TRP N N 87 120.000 120.000 126.751 -6.751 18547 16541 1 17 . 1 1 97 97 TRP HA H 87 5.130 5.130 5.191 -0.061 18547 16542 1 17 . 1 1 97 97 TRP C C 87 175.500 175.500 173.375 2.125 18547 16543 1 17 . 1 1 97 97 TRP CA C 87 57.900 57.900 56.589 1.311 18547 16544 1 17 . 1 1 97 97 TRP CB C 87 31.500 31.500 31.804 -0.304 18547 16545 1 17 . 1 1 97 97 TRP H H 87 7.790 7.790 8.840 -1.050 18547 16546 1 17 . 1 1 98 98 VAL N N 88 132.200 132.200 128.785 3.415 18547 16547 1 17 . 1 1 98 98 VAL HA H 88 4.460 4.460 4.284 0.176 18547 16548 1 17 . 1 1 98 98 VAL C C 88 175.100 175.100 174.440 0.660 18547 16549 1 17 . 1 1 98 98 VAL CA C 88 62.000 62.000 61.138 0.862 18547 16550 1 17 . 1 1 98 98 VAL CB C 88 32.500 32.500 31.552 0.948 18547 16551 1 17 . 1 1 98 98 VAL H H 88 9.620 9.620 7.964 1.656 18547 16552 1 17 . 1 1 99 99 TYR N N 89 130.300 130.300 129.639 0.661 18547 16553 1 17 . 1 1 99 99 TYR HA H 89 4.440 4.440 4.366 0.074 18547 16554 1 17 . 1 1 99 99 TYR C C 89 173.900 173.900 175.496 -1.596 18547 16555 1 17 . 1 1 99 99 TYR CA C 89 56.800 56.800 57.703 -0.903 18547 16556 1 17 . 1 1 99 99 TYR CB C 89 42.100 42.100 40.452 1.648 18547 16557 1 17 . 1 1 99 99 TYR H H 89 9.670 9.670 8.571 1.099 18547 16558 1 17 . 1 1 100 100 GLU N N 90 127.100 127.100 127.310 -0.210 18547 16559 1 17 . 1 1 100 100 GLU HA H 90 3.940 3.940 4.086 -0.146 18547 16560 1 17 . 1 1 100 100 GLU C C 90 176.700 176.700 176.794 -0.094 18547 16561 1 17 . 1 1 100 100 GLU CA C 90 58.300 58.300 58.035 0.265 18547 16562 1 17 . 1 1 100 100 GLU CB C 90 29.200 29.200 29.276 -0.076 18547 16563 1 17 . 1 1 100 100 GLU H H 90 8.080 8.080 7.599 0.481 18547 16564 1 17 . 1 1 101 101 GLY N N 91 113.100 113.100 111.916 1.184 18547 16565 1 17 . 1 1 101 101 GLY C C 91 173.900 173.900 174.335 -0.435 18547 16566 1 17 . 1 1 101 101 GLY CA C 91 45.200 45.200 45.410 -0.210 18547 16567 1 17 . 1 1 101 101 GLY H H 91 8.850 8.850 8.598 0.252 18547 16568 1 17 . 1 1 102 102 LYS N N 92 120.100 120.100 120.488 -0.388 18547 16569 1 17 . 1 1 102 102 LYS HA H 92 4.990 4.990 4.979 0.011 18547 16570 1 17 . 1 1 102 102 LYS CA C 92 52.500 52.500 53.336 -0.835 18547 16571 1 17 . 1 1 102 102 LYS CB C 92 33.200 33.200 34.309 -1.109 18547 16572 1 17 . 1 1 102 102 LYS H H 92 8.270 8.270 8.032 0.238 18547 16573 1 17 . 1 1 103 103 PRO HA H 93 4.620 4.620 4.550 0.070 18547 16574 1 17 . 1 1 103 103 PRO C C 93 176.700 176.700 176.489 0.211 18547 16575 1 17 . 1 1 103 103 PRO CA C 93 62.400 62.400 62.546 -0.146 18547 16576 1 17 . 1 1 103 103 PRO CB C 93 31.400 31.400 32.371 -0.971 18547 16577 1 17 . 1 1 104 104 ASP N N 94 124.500 124.500 119.232 5.268 18547 16578 1 17 . 1 1 104 104 ASP HA H 94 4.860 4.860 4.948 -0.088 18547 16579 1 17 . 1 1 104 104 ASP C C 94 177.100 177.100 176.283 0.817 18547 16580 1 17 . 1 1 104 104 ASP CA C 94 55.900 55.900 55.666 0.234 18547 16581 1 17 . 1 1 104 104 ASP CB C 94 40.500 40.500 42.042 -1.542 18547 16582 1 17 . 1 1 104 104 ASP H H 94 8.850 8.850 8.631 0.219 18547 16583 1 17 . 1 1 105 105 SER N N 95 118.600 118.600 115.846 2.754 18547 16584 1 17 . 1 1 105 105 SER HA H 95 5.280 5.280 5.265 0.015 18547 16585 1 17 . 1 1 105 105 SER C C 95 173.700 173.700 173.604 0.096 18547 16586 1 17 . 1 1 105 105 SER CA C 95 57.900 57.900 57.068 0.832 18547 16587 1 17 . 1 1 105 105 SER CB C 95 65.600 65.600 67.431 -1.831 18547 16588 1 17 . 1 1 105 105 SER H H 95 9.260 9.260 8.262 0.998 18547 16589 1 17 . 1 1 106 106 GLU N N 96 124.100 124.100 123.294 0.806 18547 16590 1 17 . 1 1 106 106 GLU HA H 96 5.180 5.180 4.906 0.274 18547 16591 1 17 . 1 1 106 106 GLU C C 96 172.400 172.400 175.630 -3.230 18547 16592 1 17 . 1 1 106 106 GLU CA C 96 57.200 57.200 55.541 1.659 18547 16593 1 17 . 1 1 106 106 GLU CB C 96 36.100 36.100 31.458 4.642 18547 16594 1 17 . 1 1 106 106 GLU H H 96 8.620 8.620 8.341 0.279 18547 16595 1 17 . 1 1 107 107 VAL N N 97 128.100 128.100 127.057 1.043 18547 16596 1 17 . 1 1 107 107 VAL HA H 97 4.770 4.770 4.565 0.205 18547 16597 1 17 . 1 1 107 107 VAL C C 97 173.100 173.100 174.498 -1.398 18547 16598 1 17 . 1 1 107 107 VAL CA C 97 60.100 60.100 61.680 -1.580 18547 16599 1 17 . 1 1 107 107 VAL CB C 97 34.200 34.200 32.471 1.729 18547 16600 1 17 . 1 1 107 107 VAL H H 97 9.180 9.180 8.772 0.408 18547 16601 1 17 . 1 1 108 108 GLU N N 98 126.200 126.200 128.491 -2.291 18547 16602 1 17 . 1 1 108 108 GLU HA H 98 5.580 5.580 5.166 0.414 18547 16603 1 17 . 1 1 108 108 GLU C C 98 172.100 172.100 174.724 -2.624 18547 16604 1 17 . 1 1 108 108 GLU CA C 98 54.200 54.200 54.224 -0.024 18547 16605 1 17 . 1 1 108 108 GLU CB C 98 35.200 35.200 33.328 1.872 18547 16606 1 17 . 1 1 108 108 GLU H H 98 9.300 9.300 8.418 0.882 18547 16607 1 17 . 1 1 109 109 LEU N N 99 128.600 128.600 127.683 0.917 18547 16608 1 17 . 1 1 109 109 LEU HA H 99 5.080 5.080 4.722 0.358 18547 16609 1 17 . 1 1 109 109 LEU C C 99 175.100 175.100 175.491 -0.391 18547 16610 1 17 . 1 1 109 109 LEU CA C 99 52.700 52.700 53.814 -1.114 18547 16611 1 17 . 1 1 109 109 LEU CB C 99 46.400 46.400 43.735 2.665 18547 16612 1 17 . 1 1 109 109 LEU H H 99 9.330 9.330 8.744 0.586 18547 16613 1 17 . 1 1 110 110 ARG N N 100 124.700 124.700 124.532 0.168 18547 16614 1 17 . 1 1 110 110 ARG HA H 100 5.390 5.390 4.772 0.618 18547 16615 1 17 . 1 1 110 110 ARG C C 100 175.400 175.400 174.676 0.724 18547 16616 1 17 . 1 1 110 110 ARG CA C 100 54.600 54.600 54.967 -0.367 18547 16617 1 17 . 1 1 110 110 ARG CB C 100 34.100 34.100 33.629 0.471 18547 16618 1 17 . 1 1 110 110 ARG H H 100 9.430 9.430 8.524 0.906 18547 16619 1 17 . 1 1 111 111 LEU N N 101 122.900 122.900 124.517 -1.617 18547 16620 1 17 . 1 1 111 111 LEU HA H 101 5.620 5.620 5.696 -0.076 18547 16621 1 17 . 1 1 111 111 LEU C C 101 177.100 177.100 175.894 1.206 18547 16622 1 17 . 1 1 111 111 LEU CA C 101 53.000 53.000 53.148 -0.148 18547 16623 1 17 . 1 1 111 111 LEU CB C 101 44.900 44.900 45.355 -0.455 18547 16624 1 17 . 1 1 111 111 LEU H H 101 9.120 9.120 8.217 0.903 18547 16625 1 17 . 1 1 112 112 SER N N 102 113.800 113.800 114.941 -1.141 18547 16626 1 17 . 1 1 112 112 SER HA H 102 4.690 4.690 4.510 0.180 18547 16627 1 17 . 1 1 112 112 SER C C 102 172.700 172.700 172.743 -0.043 18547 16628 1 17 . 1 1 112 112 SER CA C 102 57.000 57.000 57.456 -0.456 18547 16629 1 17 . 1 1 112 112 SER CB C 102 65.700 65.700 65.783 -0.083 18547 16630 1 17 . 1 1 112 112 SER H H 102 8.770 8.770 8.347 0.423 18547 16631 1 17 . 1 1 113 113 GLU N N 103 123.400 123.400 127.332 -3.932 18547 16632 1 17 . 1 1 113 113 GLU HA H 103 4.440 4.440 4.756 -0.316 18547 16633 1 17 . 1 1 113 113 GLU C C 103 176.600 176.600 176.190 0.410 18547 16634 1 17 . 1 1 113 113 GLU CA C 103 57.500 57.500 56.517 0.983 18547 16635 1 17 . 1 1 113 113 GLU CB C 103 30.200 30.200 30.043 0.157 18547 16636 1 17 . 1 1 113 113 GLU H H 103 9.200 9.200 8.656 0.544 18547 16637 1 17 . 1 1 114 114 GLU N N 104 126.500 126.500 126.415 0.085 18547 16638 1 17 . 1 1 114 114 GLU HA H 104 4.450 4.450 4.682 -0.232 18547 16639 1 17 . 1 1 114 114 GLU C C 104 175.600 175.600 175.805 -0.205 18547 16640 1 17 . 1 1 114 114 GLU CA C 104 55.700 55.700 55.127 0.573 18547 16641 1 17 . 1 1 114 114 GLU CB C 104 31.300 31.300 32.334 -1.034 18547 16642 1 17 . 1 1 114 114 GLU H H 104 8.110 8.110 8.548 -0.438 18547 16643 1 17 . 1 1 115 115 GLY N N 105 118.000 118.000 115.222 2.778 18547 16644 1 17 . 1 1 115 115 GLY C C 105 174.700 174.700 174.029 0.671 18547 16645 1 17 . 1 1 115 115 GLY CA C 105 47.100 47.100 46.731 0.368 18547 16646 1 17 . 1 1 115 115 GLY H H 105 9.030 9.030 8.881 0.149 18547 16647 1 17 . 1 1 116 116 ASP N N 106 126.200 126.200 125.347 0.853 18547 16648 1 17 . 1 1 116 116 ASP HA H 106 4.750 4.750 4.811 -0.061 18547 16649 1 17 . 1 1 116 116 ASP C C 106 175.600 175.600 174.697 0.903 18547 16650 1 17 . 1 1 116 116 ASP CA C 106 54.300 54.300 53.924 0.376 18547 16651 1 17 . 1 1 116 116 ASP CB C 106 40.800 40.800 41.833 -1.033 18547 16652 1 17 . 1 1 116 116 ASP H H 106 8.800 8.800 8.181 0.619 18547 16653 1 17 . 1 1 117 117 GLY N N 107 109.500 109.500 106.788 2.712 18547 16654 1 17 . 1 1 117 117 GLY C C 107 174.400 174.400 172.466 1.934 18547 16655 1 17 . 1 1 117 117 GLY CA C 107 44.800 44.800 45.739 -0.939 18547 16656 1 17 . 1 1 117 117 GLY H H 107 8.040 8.040 7.673 0.367 18547 16657 1 17 . 1 1 118 118 THR N N 108 120.400 120.400 115.302 5.098 18547 16658 1 17 . 1 1 118 118 THR HA H 108 4.970 4.970 5.303 -0.333 18547 16659 1 17 . 1 1 118 118 THR C C 108 173.000 173.000 172.911 0.089 18547 16660 1 17 . 1 1 118 118 THR CA C 108 63.500 63.500 61.622 1.878 18547 16661 1 17 . 1 1 118 118 THR CB C 108 73.000 73.000 72.523 0.477 18547 16662 1 17 . 1 1 118 118 THR H H 108 9.010 9.010 8.734 0.276 18547 16663 1 17 . 1 1 119 119 LEU N N 109 129.000 129.000 129.530 -0.530 18547 16664 1 17 . 1 1 119 119 LEU HA H 109 4.790 4.790 4.742 0.048 18547 16665 1 17 . 1 1 119 119 LEU C C 109 173.500 173.500 174.575 -1.075 18547 16666 1 17 . 1 1 119 119 LEU CA C 109 54.300 54.300 54.193 0.107 18547 16667 1 17 . 1 1 119 119 LEU CB C 109 42.900 42.900 42.453 0.447 18547 16668 1 17 . 1 1 119 119 LEU H H 109 9.410 9.410 8.679 0.731 18547 16669 1 17 . 1 1 120 120 LEU N N 110 132.200 132.200 129.448 2.752 18547 16670 1 17 . 1 1 120 120 LEU HA H 110 4.820 4.820 5.047 -0.227 18547 16671 1 17 . 1 1 120 120 LEU C C 110 174.100 174.100 174.859 -0.759 18547 16672 1 17 . 1 1 120 120 LEU CA C 110 54.900 54.900 54.132 0.768 18547 16673 1 17 . 1 1 120 120 LEU CB C 110 45.300 45.300 43.793 1.507 18547 16674 1 17 . 1 1 120 120 LEU H H 110 9.430 9.430 8.927 0.503 18547 16675 1 17 . 1 1 121 121 GLU N N 111 125.800 125.800 127.087 -1.287 18547 16676 1 17 . 1 1 121 121 GLU HA H 111 5.530 5.530 4.785 0.745 18547 16677 1 17 . 1 1 121 121 GLU C C 111 173.500 173.500 174.439 -0.939 18547 16678 1 17 . 1 1 121 121 GLU CA C 111 54.500 54.500 54.862 -0.362 18547 16679 1 17 . 1 1 121 121 GLU CB C 111 33.100 33.100 32.869 0.231 18547 16680 1 17 . 1 1 121 121 GLU H H 111 8.970 8.970 8.620 0.350 18547 16681 1 17 . 1 1 122 122 LEU N N 112 127.300 127.300 128.519 -1.219 18547 16682 1 17 . 1 1 122 122 LEU HA H 112 5.030 5.030 4.737 0.293 18547 16683 1 17 . 1 1 122 122 LEU C C 112 173.700 173.700 174.379 -0.679 18547 16684 1 17 . 1 1 122 122 LEU CA C 112 53.200 53.200 53.827 -0.627 18547 16685 1 17 . 1 1 122 122 LEU CB C 112 45.400 45.400 44.495 0.905 18547 16686 1 17 . 1 1 122 122 LEU H H 112 8.950 8.950 8.684 0.266 18547 16687 1 17 . 1 1 123 123 GLU N N 113 127.900 127.900 126.533 1.367 18547 16688 1 17 . 1 1 123 123 GLU HA H 113 5.750 5.750 5.148 0.602 18547 16689 1 17 . 1 1 123 123 GLU C C 113 174.200 174.200 174.536 -0.336 18547 16690 1 17 . 1 1 123 123 GLU CA C 113 52.900 52.900 54.009 -1.109 18547 16691 1 17 . 1 1 123 123 GLU CB C 113 33.300 33.300 33.519 -0.219 18547 16692 1 17 . 1 1 123 123 GLU H H 113 9.350 9.350 8.323 1.027 18547 16693 1 17 . 1 1 124 124 HIS N N 114 128.200 128.200 125.960 2.240 18547 16694 1 17 . 1 1 124 124 HIS HA H 114 5.240 5.240 5.099 0.141 18547 16695 1 17 . 1 1 124 124 HIS C C 114 173.900 173.900 173.039 0.861 18547 16696 1 17 . 1 1 124 124 HIS CA C 114 54.300 54.300 55.043 -0.743 18547 16697 1 17 . 1 1 124 124 HIS CB C 114 34.600 34.600 33.276 1.324 18547 16698 1 17 . 1 1 124 124 HIS H H 114 8.770 8.770 8.696 0.074 18547 16699 1 17 . 1 1 125 125 ALA N N 115 128.600 128.600 131.355 -2.755 18547 16700 1 17 . 1 1 125 125 ALA HA H 115 5.150 5.150 5.485 -0.335 18547 16701 1 17 . 1 1 125 125 ALA C C 115 175.400 175.400 175.796 -0.396 18547 16702 1 17 . 1 1 125 125 ALA CA C 115 50.100 50.100 50.480 -0.380 18547 16703 1 17 . 1 1 125 125 ALA CB C 115 22.500 22.500 20.967 1.533 18547 16704 1 17 . 1 1 125 125 ALA H H 115 9.360 9.360 8.403 0.957 18547 16705 1 17 . 1 1 126 126 THR N N 116 115.800 115.800 119.237 -3.437 18547 16706 1 17 . 1 1 126 126 THR HA H 116 4.960 4.960 4.994 -0.034 18547 16707 1 17 . 1 1 126 126 THR C C 116 172.200 172.200 175.555 -3.355 18547 16708 1 17 . 1 1 126 126 THR CA C 116 58.800 58.800 58.931 -0.131 18547 16709 1 17 . 1 1 126 126 THR CB C 116 69.200 69.200 70.891 -1.691 18547 16710 1 17 . 1 1 126 126 THR H H 116 8.760 8.760 8.192 0.568 18547 16711 1 17 . 1 1 127 127 THR N N 117 116.000 116.000 116.284 -0.284 18547 16712 1 17 . 1 1 127 127 THR HA H 117 4.390 4.390 4.344 0.046 18547 16713 1 17 . 1 1 127 127 THR C C 117 174.400 174.400 174.930 -0.530 18547 16714 1 17 . 1 1 127 127 THR CA C 117 62.900 62.900 63.952 -1.052 18547 16715 1 17 . 1 1 127 127 THR CB C 117 68.800 68.800 68.892 -0.092 18547 16716 1 17 . 1 1 127 127 THR H H 117 8.460 8.460 8.953 -0.493 18547 16717 1 17 . 1 1 128 128 SER N N 118 116.400 116.400 117.595 -1.195 18547 16718 1 17 . 1 1 128 128 SER HA H 118 4.890 4.890 4.515 0.375 18547 16719 1 17 . 1 1 128 128 SER C C 118 174.700 174.700 174.965 -0.265 18547 16720 1 17 . 1 1 128 128 SER CA C 118 55.400 55.400 56.944 -1.544 18547 16721 1 17 . 1 1 128 128 SER CB C 118 63.000 63.000 63.836 -0.836 18547 16722 1 17 . 1 1 128 128 SER H H 118 7.730 7.730 7.608 0.122 18547 16723 1 17 . 1 1 129 129 GLU N N 119 130.300 130.300 128.989 1.311 18547 16724 1 17 . 1 1 129 129 GLU HA H 119 3.940 3.940 4.044 -0.104 18547 16725 1 17 . 1 1 129 129 GLU C C 119 178.400 178.400 178.210 0.190 18547 16726 1 17 . 1 1 129 129 GLU CA C 119 59.900 59.900 59.407 0.493 18547 16727 1 17 . 1 1 129 129 GLU CB C 119 29.700 29.700 29.698 0.003 18547 16728 1 17 . 1 1 129 129 GLU H H 119 9.000 9.000 9.156 -0.156 18547 16729 1 17 . 1 1 130 130 GLN N N 120 117.300 117.300 118.446 -1.146 18547 16730 1 17 . 1 1 130 130 GLN HA H 120 4.120 4.120 4.064 0.056 18547 16731 1 17 . 1 1 130 130 GLN C C 120 177.900 177.900 178.487 -0.587 18547 16732 1 17 . 1 1 130 130 GLN CA C 120 58.400 58.400 58.495 -0.094 18547 16733 1 17 . 1 1 130 130 GLN CB C 120 28.000 28.000 28.568 -0.568 18547 16734 1 17 . 1 1 130 130 GLN H H 120 8.410 8.410 8.122 0.288 18547 16735 1 17 . 1 1 131 131 MET N N 121 118.300 118.300 119.714 -1.414 18547 16736 1 17 . 1 1 131 131 MET HA H 121 4.240 4.240 4.131 0.109 18547 16737 1 17 . 1 1 131 131 MET C C 121 176.400 176.400 177.989 -1.589 18547 16738 1 17 . 1 1 131 131 MET CA C 121 57.300 57.300 58.350 -1.050 18547 16739 1 17 . 1 1 131 131 MET CB C 121 32.400 32.400 32.645 -0.245 18547 16740 1 17 . 1 1 131 131 MET H H 121 7.640 7.640 7.654 -0.014 18547 16741 1 17 . 1 1 132 132 LEU N N 122 118.700 118.700 120.268 -1.568 18547 16742 1 17 . 1 1 132 132 LEU HA H 122 3.630 3.630 3.911 -0.281 18547 16743 1 17 . 1 1 132 132 LEU C C 122 177.100 177.100 179.195 -2.095 18547 16744 1 17 . 1 1 132 132 LEU CA C 122 58.300 58.300 57.869 0.431 18547 16745 1 17 . 1 1 132 132 LEU CB C 122 41.900 41.900 41.725 0.175 18547 16746 1 17 . 1 1 132 132 LEU H H 122 7.470 7.470 7.832 -0.362 18547 16747 1 17 . 1 1 133 133 VAL N N 123 114.600 114.600 118.521 -3.921 18547 16748 1 17 . 1 1 133 133 VAL HA H 123 3.360 3.360 3.584 -0.224 18547 16749 1 17 . 1 1 133 133 VAL C C 123 176.700 176.700 177.659 -0.959 18547 16750 1 17 . 1 1 133 133 VAL CA C 123 66.600 66.600 67.158 -0.558 18547 16751 1 17 . 1 1 133 133 VAL CB C 123 31.800 31.800 31.474 0.325 18547 16752 1 17 . 1 1 133 133 VAL H H 123 7.040 7.040 7.821 -0.781 18547 16753 1 17 . 1 1 134 134 GLU N N 124 116.700 116.700 120.451 -3.751 18547 16754 1 17 . 1 1 134 134 GLU HA H 124 3.900 3.900 3.898 0.002 18547 16755 1 17 . 1 1 134 134 GLU C C 124 180.700 180.700 178.744 1.956 18547 16756 1 17 . 1 1 134 134 GLU CA C 124 59.300 59.300 59.862 -0.562 18547 16757 1 17 . 1 1 134 134 GLU CB C 124 29.900 29.900 29.680 0.220 18547 16758 1 17 . 1 1 134 134 GLU H H 124 7.200 7.200 7.642 -0.442 18547 16759 1 17 . 1 1 135 135 VAL N N 125 114.700 114.700 115.074 -0.374 18547 16760 1 17 . 1 1 135 135 VAL HA H 125 3.930 3.930 3.673 0.257 18547 16761 1 17 . 1 1 135 135 VAL C C 125 177.900 177.900 177.726 0.174 18547 16762 1 17 . 1 1 135 135 VAL CA C 125 63.800 63.800 64.514 -0.714 18547 16763 1 17 . 1 1 135 135 VAL CB C 125 30.400 30.400 30.448 -0.048 18547 16764 1 17 . 1 1 135 135 VAL H H 125 8.620 8.620 7.797 0.823 18547 16765 1 17 . 1 1 136 136 GLY N N 126 112.200 112.200 108.692 3.508 18547 16766 1 17 . 1 1 136 136 GLY C C 126 174.800 174.800 175.445 -0.645 18547 16767 1 17 . 1 1 136 136 GLY CA C 126 47.200 47.200 46.674 0.526 18547 16768 1 17 . 1 1 136 136 GLY H H 126 7.750 7.750 7.793 -0.043 18547 16769 1 17 . 1 1 137 137 VAL N N 127 119.100 119.100 122.369 -3.269 18547 16770 1 17 . 1 1 137 137 VAL HA H 127 3.510 3.510 3.803 -0.293 18547 16771 1 17 . 1 1 137 137 VAL C C 127 179.100 179.100 177.650 1.450 18547 16772 1 17 . 1 1 137 137 VAL CA C 127 67.400 67.400 66.285 1.115 18547 16773 1 17 . 1 1 137 137 VAL CB C 127 32.500 32.500 31.513 0.987 18547 16774 1 17 . 1 1 137 137 VAL H H 127 7.680 7.680 7.249 0.431 18547 16775 1 17 . 1 1 138 138 GLY N N 128 106.300 106.300 107.264 -0.964 18547 16776 1 17 . 1 1 138 138 GLY C C 128 177.900 177.900 175.984 1.916 18547 16777 1 17 . 1 1 138 138 GLY CA C 128 47.300 47.300 47.229 0.071 18547 16778 1 17 . 1 1 138 138 GLY H H 128 8.210 8.210 8.148 0.062 18547 16779 1 17 . 1 1 139 139 TRP N N 129 122.500 122.500 120.956 1.544 18547 16780 1 17 . 1 1 139 139 TRP HA H 129 4.890 4.890 4.545 0.345 18547 16781 1 17 . 1 1 139 139 TRP C C 129 179.100 179.100 177.990 1.110 18547 16782 1 17 . 1 1 139 139 TRP CA C 129 59.800 59.800 58.748 1.052 18547 16783 1 17 . 1 1 139 139 TRP CB C 129 30.100 30.100 29.882 0.218 18547 16784 1 17 . 1 1 139 139 TRP H H 129 8.880 8.880 7.751 1.129 18547 16785 1 17 . 1 1 140 140 GLU N N 130 119.000 119.000 120.841 -1.841 18547 16786 1 17 . 1 1 140 140 GLU HA H 130 4.020 4.020 4.097 -0.077 18547 16787 1 17 . 1 1 140 140 GLU C C 130 179.300 179.300 179.021 0.279 18547 16788 1 17 . 1 1 140 140 GLU CA C 130 62.900 62.900 59.309 3.591 18547 16789 1 17 . 1 1 140 140 GLU CB C 130 30.600 30.600 29.593 1.007 18547 16790 1 17 . 1 1 140 140 GLU H H 130 8.210 8.210 7.747 0.463 18547 16791 1 17 . 1 1 141 141 MET N N 131 117.100 117.100 118.194 -1.094 18547 16792 1 17 . 1 1 141 141 MET HA H 131 4.330 4.330 4.069 0.261 18547 16793 1 17 . 1 1 141 141 MET C C 131 178.500 178.500 178.233 0.267 18547 16794 1 17 . 1 1 141 141 MET CA C 131 57.700 57.700 58.945 -1.245 18547 16795 1 17 . 1 1 141 141 MET CB C 131 30.600 30.600 32.629 -2.029 18547 16796 1 17 . 1 1 141 141 MET H H 131 8.210 8.210 8.318 -0.108 18547 16797 1 17 . 1 1 142 142 ALA N N 132 121.400 121.400 123.737 -2.337 18547 16798 1 17 . 1 1 142 142 ALA HA H 132 4.720 4.720 4.654 0.065 18547 16799 1 17 . 1 1 142 142 ALA C C 132 180.900 180.900 179.933 0.967 18547 16800 1 17 . 1 1 142 142 ALA CA C 132 55.700 55.700 55.267 0.434 18547 16801 1 17 . 1 1 142 142 ALA CB C 132 18.200 18.200 18.953 -0.753 18547 16802 1 17 . 1 1 142 142 ALA H H 132 7.910 7.910 7.834 0.076 18547 16803 1 17 . 1 1 143 143 LEU N N 133 117.200 117.200 117.485 -0.285 18547 16804 1 17 . 1 1 143 143 LEU HA H 133 4.150 4.150 4.339 -0.189 18547 16805 1 17 . 1 1 143 143 LEU C C 133 180.300 180.300 179.136 1.164 18547 16806 1 17 . 1 1 143 143 LEU CA C 133 57.300 57.300 56.391 0.909 18547 16807 1 17 . 1 1 143 143 LEU CB C 133 40.600 40.600 40.711 -0.111 18547 16808 1 17 . 1 1 143 143 LEU H H 133 9.190 9.190 8.437 0.753 18547 16809 1 17 . 1 1 144 144 ASP N N 134 122.600 122.600 122.133 0.467 18547 16810 1 17 . 1 1 144 144 ASP HA H 134 4.580 4.580 4.337 0.243 18547 16811 1 17 . 1 1 144 144 ASP C C 134 179.900 179.900 178.316 1.584 18547 16812 1 17 . 1 1 144 144 ASP CA C 134 57.800 57.800 57.695 0.105 18547 16813 1 17 . 1 1 144 144 ASP CB C 134 39.800 39.800 40.767 -0.966 18547 16814 1 17 . 1 1 144 144 ASP H H 134 7.930 7.930 8.061 -0.131 18547 16815 1 17 . 1 1 145 145 PHE N N 135 119.300 119.300 117.432 1.868 18547 16816 1 17 . 1 1 145 145 PHE HA H 135 4.580 4.580 4.474 0.106 18547 16817 1 17 . 1 1 145 145 PHE C C 135 178.000 178.000 177.968 0.032 18547 16818 1 17 . 1 1 145 145 PHE CA C 135 61.700 61.700 60.352 1.348 18547 16819 1 17 . 1 1 145 145 PHE CB C 135 39.400 39.400 38.897 0.504 18547 16820 1 17 . 1 1 145 145 PHE H H 135 7.690 7.690 8.200 -0.510 18547 16821 1 17 . 1 1 146 146 LEU N N 136 124.400 124.400 121.891 2.509 18547 16822 1 17 . 1 1 146 146 LEU HA H 136 3.200 3.200 4.138 -0.938 18547 16823 1 17 . 1 1 146 146 LEU C C 136 178.800 178.800 178.216 0.584 18547 16824 1 17 . 1 1 146 146 LEU CA C 136 58.400 58.400 56.464 1.936 18547 16825 1 17 . 1 1 146 146 LEU CB C 136 38.800 38.800 40.965 -2.165 18547 16826 1 17 . 1 1 146 146 LEU H H 136 7.930 7.930 8.316 -0.386 18547 16827 1 17 . 1 1 147 147 GLY N N 137 104.200 104.200 107.488 -3.288 18547 16828 1 17 . 1 1 147 147 GLY C C 137 176.100 176.100 176.185 -0.085 18547 16829 1 17 . 1 1 147 147 GLY CA C 137 47.900 47.900 47.490 0.409 18547 16830 1 17 . 1 1 147 147 GLY H H 137 8.340 8.340 8.148 0.192 18547 16831 1 17 . 1 1 148 148 MET N N 138 119.300 119.300 121.015 -1.715 18547 16832 1 17 . 1 1 148 148 MET HA H 138 4.090 4.090 4.308 -0.218 18547 16833 1 17 . 1 1 148 148 MET C C 138 177.700 177.700 177.974 -0.274 18547 16834 1 17 . 1 1 148 148 MET CA C 138 59.400 59.400 57.532 1.868 18547 16835 1 17 . 1 1 148 148 MET CB C 138 34.500 34.500 31.765 2.735 18547 16836 1 17 . 1 1 148 148 MET H H 138 7.550 7.550 8.126 -0.576 18547 16837 1 17 . 1 1 149 149 PHE N N 139 120.400 120.400 120.045 0.355 18547 16838 1 17 . 1 1 149 149 PHE HA H 139 4.380 4.380 4.195 0.185 18547 16839 1 17 . 1 1 149 149 PHE C C 139 179.100 179.100 177.736 1.364 18547 16840 1 17 . 1 1 149 149 PHE CA C 139 60.800 60.800 61.515 -0.715 18547 16841 1 17 . 1 1 149 149 PHE CB C 139 39.200 39.200 39.167 0.033 18547 16842 1 17 . 1 1 149 149 PHE H H 139 8.600 8.600 7.864 0.736 18547 16843 1 17 . 1 1 150 150 ILE N N 140 121.300 121.300 116.825 4.475 18547 16844 1 17 . 1 1 150 150 ILE HA H 140 3.420 3.420 3.702 -0.282 18547 16845 1 17 . 1 1 150 150 ILE C C 140 177.500 177.500 177.240 0.260 18547 16846 1 17 . 1 1 150 150 ILE CA C 140 63.100 63.100 63.606 -0.506 18547 16847 1 17 . 1 1 150 150 ILE CB C 140 37.100 37.100 38.157 -1.057 18547 16848 1 17 . 1 1 150 150 ILE H H 140 8.780 8.780 8.253 0.527 18547 16849 1 17 . 1 1 151 151 ARG N N 141 116.500 116.500 119.629 -3.129 18547 16850 1 17 . 1 1 151 151 ARG HA H 141 4.220 4.220 4.377 -0.157 18547 16851 1 17 . 1 1 151 151 ARG C C 141 176.700 176.700 177.683 -0.983 18547 16852 1 17 . 1 1 151 151 ARG CA C 141 57.500 57.500 56.965 0.535 18547 16853 1 17 . 1 1 151 151 ARG CB C 141 31.500 31.500 31.721 -0.222 18547 16854 1 17 . 1 1 151 151 ARG H H 141 7.730 7.730 7.805 -0.075 18547 16855 1 17 . 1 1 152 152 GLY N N 142 106.800 106.800 107.024 -0.224 18547 16856 1 17 . 1 1 152 152 GLY C C 142 174.900 174.900 174.397 0.503 18547 16857 1 17 . 1 1 152 152 GLY CA C 142 45.700 45.700 45.097 0.603 18547 16858 1 17 . 1 1 152 152 GLY H H 142 7.570 7.570 8.256 -0.686 18547 16859 1 17 . 1 1 153 153 ASP N N 143 119.400 119.400 118.298 1.102 18547 16860 1 17 . 1 1 153 153 ASP HA H 143 4.780 4.780 4.319 0.461 18547 16861 1 17 . 1 1 153 153 ASP C C 143 175.400 175.400 174.799 0.601 18547 16862 1 17 . 1 1 153 153 ASP CA C 143 54.200 54.200 55.362 -1.162 18547 16863 1 17 . 1 1 153 153 ASP CB C 143 42.100 42.100 41.018 1.082 18547 16864 1 17 . 1 1 153 153 ASP H H 143 8.290 8.290 7.739 0.551 18547 16865 1 17 . 1 1 154 154 LEU N N 144 121.300 121.300 125.389 -4.089 18547 16866 1 17 . 1 1 154 154 LEU HA H 144 4.810 4.810 5.012 -0.202 18547 16867 1 17 . 1 1 154 154 LEU CA C 144 52.800 52.800 52.401 0.399 18547 16868 1 17 . 1 1 154 154 LEU CB C 144 42.500 42.500 43.277 -0.777 18547 16869 1 17 . 1 1 154 154 LEU H H 144 8.010 8.010 8.569 -0.559 18547 16870 1 17 . 1 1 155 155 PRO HA H 145 4.480 4.480 4.667 -0.187 18547 16871 1 17 . 1 1 155 155 PRO C C 145 177.600 177.600 176.966 0.634 18547 16872 1 17 . 1 1 155 155 PRO CA C 145 63.500 63.500 63.269 0.231 18547 16873 1 17 . 1 1 155 155 PRO CB C 145 32.200 32.200 31.949 0.251 18547 16874 1 17 . 1 1 156 156 GLY N N 146 108.900 108.900 109.538 -0.638 18547 16875 1 17 . 1 1 156 156 GLY C C 146 174.300 174.300 173.700 0.600 18547 16876 1 17 . 1 1 156 156 GLY CA C 146 45.100 45.100 44.800 0.300 18547 16877 1 17 . 1 1 156 156 GLY H H 146 8.530 8.530 8.077 0.453 18547 16878 1 17 . 1 1 157 157 GLY N N 147 108.800 108.800 111.088 -2.288 18547 16879 1 17 . 1 1 157 157 GLY CA C 147 44.500 44.500 44.071 0.429 18547 16880 1 17 . 1 1 157 157 GLY H H 147 8.080 8.080 8.375 -0.295 18547 16881 1 17 . 1 1 158 158 PRO HA H 148 4.440 4.440 4.655 -0.215 18547 16882 1 17 . 1 1 158 158 PRO C C 148 176.800 176.800 176.613 0.187 18547 16883 1 17 . 1 1 158 158 PRO CA C 148 63.000 63.000 61.794 1.206 18547 16884 1 17 . 1 1 158 158 PRO CB C 148 32.100 32.100 32.783 -0.683 18547 16885 1 17 . 1 1 159 159 VAL N N 149 121.400 121.400 116.314 5.086 18547 16886 1 17 . 1 1 159 159 VAL HA H 149 4.390 4.390 4.423 -0.034 18547 16887 1 17 . 1 1 159 159 VAL CA C 149 59.800 59.800 61.004 -1.204 18547 16888 1 17 . 1 1 159 159 VAL CB C 149 32.600 32.600 31.293 1.307 18547 16889 1 17 . 1 1 159 159 VAL H H 149 8.220 8.220 8.255 -0.035 18547 16890 1 17 . 1 1 160 160 PRO HA H 150 4.380 4.380 4.318 0.062 18547 16891 1 17 . 1 1 160 160 PRO C C 150 177.200 177.200 177.116 0.084 18547 16892 1 17 . 1 1 160 160 PRO CA C 150 63.300 63.300 65.174 -1.874 18547 16893 1 17 . 1 1 160 160 PRO CB C 150 32.100 32.100 31.803 0.297 18547 16894 1 17 . 1 1 161 161 GLU N N 151 120.700 120.700 117.422 3.278 18547 16895 1 17 . 1 1 161 161 GLU HA H 151 4.170 4.170 4.234 -0.064 18547 16896 1 17 . 1 1 161 161 GLU CA C 151 57.400 57.400 55.810 1.590 18547 16897 1 17 . 1 1 161 161 GLU CB C 151 29.900 29.900 29.681 0.219 18547 16898 1 17 . 1 1 161 161 GLU H H 151 8.620 8.620 7.813 0.807 18547 16899 1 17 . 1 1 162 162 ASP N N 152 119.900 119.900 118.035 1.865 18547 16900 1 17 . 1 1 162 162 ASP HA H 152 4.570 4.570 4.278 0.292 18547 16901 1 17 . 1 1 162 162 ASP C C 152 176.000 176.000 175.924 0.076 18547 16902 1 17 . 1 1 162 162 ASP CA C 152 54.200 54.200 55.531 -1.331 18547 16903 1 17 . 1 1 162 162 ASP CB C 152 41.000 41.000 40.413 0.588 18547 16904 1 17 . 1 1 162 162 ASP H H 152 8.250 8.250 7.805 0.445 18547 16905 1 17 . 1 1 163 163 ALA N N 153 124.000 124.000 118.468 5.532 18547 16906 1 17 . 1 1 163 163 ALA HA H 153 4.270 4.270 3.934 0.336 18547 16907 1 17 . 1 1 163 163 ALA C C 153 177.400 177.400 177.136 0.264 18547 16908 1 17 . 1 1 163 163 ALA CA C 153 52.700 52.700 53.859 -1.159 18547 16909 1 17 . 1 1 163 163 ALA CB C 153 19.200 19.200 17.776 1.424 18547 16910 1 17 . 1 1 163 163 ALA H H 153 8.040 8.040 8.007 0.033 18547 16911 1 17 . 1 1 164 164 ALA N N 154 122.600 122.600 121.604 0.996 18547 16912 1 17 . 1 1 164 164 ALA HA H 154 4.260 4.260 4.065 0.195 18547 16913 1 17 . 1 1 164 164 ALA C C 154 177.900 177.900 177.199 0.701 18547 16914 1 17 . 1 1 164 164 ALA CA C 154 52.600 52.600 53.200 -0.601 18547 16915 1 17 . 1 1 164 164 ALA CB C 154 19.300 19.300 18.367 0.933 18547 16916 1 17 . 1 1 164 164 ALA H H 154 8.190 8.190 7.916 0.274 18547 16917 1 17 . 1 1 165 165 GLU N N 155 119.400 119.400 119.183 0.217 18547 16918 1 17 . 1 1 165 165 GLU HA H 155 4.220 4.220 4.356 -0.136 18547 16919 1 17 . 1 1 165 165 GLU C C 155 176.200 176.200 175.960 0.240 18547 16920 1 17 . 1 1 165 165 GLU CA C 155 56.500 56.500 56.708 -0.208 18547 16921 1 17 . 1 1 165 165 GLU CB C 155 30.300 30.300 30.616 -0.316 18547 16922 1 17 . 1 1 165 165 GLU H H 155 8.190 8.190 8.628 -0.438 18547 16923 1 17 . 1 1 166 166 GLU N N 156 121.000 121.000 120.990 0.010 18547 16924 1 17 . 1 1 166 166 GLU HA H 156 4.240 4.240 4.396 -0.157 18547 16925 1 17 . 1 1 166 166 GLU C C 156 175.800 175.800 175.009 0.791 18547 16926 1 17 . 1 1 166 166 GLU CA C 156 56.300 56.300 56.224 0.076 18547 16927 1 17 . 1 1 166 166 GLU CB C 156 30.300 30.300 28.504 1.796 18547 16928 1 17 . 1 1 166 166 GLU H H 156 8.230 8.230 8.265 -0.035 18547 16929 1 17 . 1 1 167 167 PHE N N 157 121.400 121.400 123.280 -1.880 18547 16930 1 17 . 1 1 167 167 PHE HA H 157 4.590 4.590 4.657 -0.067 18547 16931 1 17 . 1 1 167 167 PHE C C 157 175.100 175.100 174.685 0.415 18547 16932 1 17 . 1 1 167 167 PHE CA C 157 57.700 57.700 57.077 0.623 18547 16933 1 17 . 1 1 167 167 PHE CB C 157 39.900 39.900 42.233 -2.333 18547 16934 1 17 . 1 1 167 167 PHE H H 157 8.240 8.240 8.173 0.067 18547 16935 1 17 . 1 1 168 168 GLU N N 158 124.400 124.400 122.951 1.449 18547 16936 1 17 . 1 1 168 168 GLU HA H 158 4.600 4.600 4.452 0.148 18547 16937 1 17 . 1 1 168 168 GLU CA C 158 53.700 53.700 57.422 -3.722 18547 16938 1 17 . 1 1 168 168 GLU CB C 158 30.400 30.400 29.280 1.120 18547 16939 1 17 . 1 1 168 168 GLU H H 158 8.130 8.130 8.518 -0.388 18547 16940 1 17 . 1 1 169 169 PRO HA H 159 4.460 4.460 4.520 -0.060 18547 16941 1 17 . 1 1 169 169 PRO C C 159 176.200 176.200 176.209 -0.009 18547 16942 1 17 . 1 1 169 169 PRO CA C 159 62.800 62.800 62.867 -0.067 18547 16943 1 17 . 1 1 169 169 PRO CB C 159 32.300 32.300 31.803 0.497 18547 16944 1 17 . 1 1 170 170 SER N N 160 118.600 118.600 116.793 1.807 18547 16945 1 17 . 1 1 170 170 SER HA H 160 4.780 4.780 4.837 -0.057 18547 16946 1 17 . 1 1 170 170 SER CA C 160 56.200 56.200 54.546 1.654 18547 16947 1 17 . 1 1 170 170 SER CB C 160 63.200 63.200 63.492 -0.292 18547 16948 1 17 . 1 1 170 170 SER H H 160 8.290 8.290 7.832 0.458 18547 16949 1 17 . 1 1 171 171 PRO HA H 161 4.350 4.350 4.337 0.013 18547 16950 1 17 . 1 1 171 171 PRO C C 161 179.400 179.400 178.389 1.011 18547 16951 1 17 . 1 1 171 171 PRO CA C 161 65.500 65.500 64.882 0.618 18547 16952 1 17 . 1 1 171 171 PRO CB C 161 31.700 31.700 32.157 -0.458 18547 16953 1 17 . 1 1 172 172 GLU N N 162 118.300 118.300 118.310 -0.010 18547 16954 1 17 . 1 1 172 172 GLU HA H 162 4.160 4.160 4.073 0.087 18547 16955 1 17 . 1 1 172 172 GLU C C 162 178.300 178.300 178.159 0.141 18547 16956 1 17 . 1 1 172 172 GLU CA C 162 59.300 59.300 59.159 0.141 18547 16957 1 17 . 1 1 172 172 GLU CB C 162 29.400 29.400 28.786 0.614 18547 16958 1 17 . 1 1 172 172 GLU H H 162 8.540 8.540 8.484 0.056 18547 16959 1 17 . 1 1 173 173 MET N N 163 119.400 119.400 119.257 0.143 18547 16960 1 17 . 1 1 173 173 MET HA H 163 4.260 4.260 4.287 -0.027 18547 16961 1 17 . 1 1 173 173 MET C C 163 179.200 179.200 178.585 0.615 18547 16962 1 17 . 1 1 173 173 MET CA C 163 58.200 58.200 57.663 0.537 18547 16963 1 17 . 1 1 173 173 MET CB C 163 32.500 32.500 32.351 0.149 18547 16964 1 17 . 1 1 173 173 MET H H 163 7.830 7.830 7.632 0.198 18547 16965 1 17 . 1 1 174 174 MET N N 164 119.300 119.300 118.363 0.937 18547 16966 1 17 . 1 1 174 174 MET HA H 164 4.260 4.260 4.153 0.107 18547 16967 1 17 . 1 1 174 174 MET C C 164 178.600 178.600 178.849 -0.249 18547 16968 1 17 . 1 1 174 174 MET CA C 164 58.200 58.200 58.489 -0.289 18547 16969 1 17 . 1 1 174 174 MET CB C 164 31.900 31.900 31.321 0.579 18547 16970 1 17 . 1 1 174 174 MET H H 164 8.320 8.320 8.056 0.264 18547 16971 1 17 . 1 1 175 175 ARG N N 165 121.200 121.200 119.931 1.269 18547 16972 1 17 . 1 1 175 175 ARG HA H 165 4.160 4.160 4.105 0.055 18547 16973 1 17 . 1 1 175 175 ARG C C 165 178.800 178.800 178.786 0.014 18547 16974 1 17 . 1 1 175 175 ARG CA C 165 59.400 59.400 58.815 0.585 18547 16975 1 17 . 1 1 175 175 ARG CB C 165 29.900 29.900 29.822 0.078 18547 16976 1 17 . 1 1 175 175 ARG H H 165 8.020 8.020 7.743 0.277 18547 16977 1 17 . 1 1 176 176 ILE N N 166 120.500 120.500 119.064 1.436 18547 16978 1 17 . 1 1 176 176 ILE HA H 166 3.920 3.920 3.573 0.347 18547 16979 1 17 . 1 1 176 176 ILE C C 166 178.500 178.500 178.070 0.430 18547 16980 1 17 . 1 1 176 176 ILE CA C 166 64.500 64.500 65.512 -1.012 18547 16981 1 17 . 1 1 176 176 ILE CB C 166 37.900 37.900 37.607 0.293 18547 16982 1 17 . 1 1 176 176 ILE H H 166 8.110 8.110 8.339 -0.229 18547 16983 1 17 . 1 1 177 177 SER N N 167 116.300 116.300 115.621 0.679 18547 16984 1 17 . 1 1 177 177 SER HA H 167 4.240 4.240 4.129 0.111 18547 16985 1 17 . 1 1 177 177 SER C C 167 177.300 177.300 176.709 0.591 18547 16986 1 17 . 1 1 177 177 SER CA C 167 62.500 62.500 61.722 0.778 18547 16987 1 17 . 1 1 177 177 SER CB C 167 62.800 62.800 63.233 -0.433 18547 16988 1 17 . 1 1 177 177 SER H H 167 8.290 8.290 7.831 0.459 18547 16989 1 17 . 1 1 178 178 GLN N N 168 123.300 123.300 121.741 1.559 18547 16990 1 17 . 1 1 178 178 GLN HA H 168 4.110 4.110 4.037 0.073 18547 16991 1 17 . 1 1 178 178 GLN C C 168 178.600 178.600 178.208 0.392 18547 16992 1 17 . 1 1 178 178 GLN CA C 168 59.200 59.200 58.722 0.478 18547 16993 1 17 . 1 1 178 178 GLN CB C 168 28.000 28.000 28.151 -0.151 18547 16994 1 17 . 1 1 178 178 GLN H H 168 8.080 8.080 7.876 0.204 18547 16995 1 17 . 1 1 179 179 GLU N N 169 121.200 121.200 120.296 0.904 18547 16996 1 17 . 1 1 179 179 GLU HA H 169 4.090 4.090 4.040 0.050 18547 16997 1 17 . 1 1 179 179 GLU C C 169 180.500 180.500 179.485 1.015 18547 16998 1 17 . 1 1 179 179 GLU CA C 169 59.500 59.500 59.357 0.143 18547 16999 1 17 . 1 1 179 179 GLU CB C 169 29.700 29.700 29.095 0.606 18547 17000 1 17 . 1 1 179 179 GLU H H 169 8.380 8.380 8.286 0.094 18547 17001 1 17 . 1 1 180 180 ARG N N 170 120.800 120.800 118.040 2.760 18547 17002 1 17 . 1 1 180 180 ARG HA H 170 4.010 4.010 4.213 -0.203 18547 17003 1 17 . 1 1 180 180 ARG C C 170 178.100 178.100 179.001 -0.901 18547 17004 1 17 . 1 1 180 180 ARG CA C 170 59.900 59.900 58.419 1.481 18547 17005 1 17 . 1 1 180 180 ARG CB C 170 30.600 30.600 29.852 0.748 18547 17006 1 17 . 1 1 180 180 ARG H H 170 8.670 8.670 7.811 0.859 18547 17007 1 17 . 1 1 181 181 GLY N N 171 108.200 108.200 106.565 1.635 18547 17008 1 17 . 1 1 181 181 GLY C C 171 176.600 176.600 176.071 0.529 18547 17009 1 17 . 1 1 181 181 GLY CA C 171 47.800 47.800 46.667 1.133 18547 17010 1 17 . 1 1 181 181 GLY H H 171 8.550 8.550 8.115 0.435 18547 17011 1 17 . 1 1 182 182 GLU N N 172 121.900 121.900 121.469 0.431 18547 17012 1 17 . 1 1 182 182 GLU HA H 172 4.110 4.110 4.147 -0.037 18547 17013 1 17 . 1 1 182 182 GLU C C 172 179.300 179.300 178.572 0.728 18547 17014 1 17 . 1 1 182 182 GLU CA C 172 59.300 59.300 58.483 0.817 18547 17015 1 17 . 1 1 182 182 GLU CB C 172 29.300 29.300 29.358 -0.059 18547 17016 1 17 . 1 1 182 182 GLU H H 172 8.190 8.190 8.504 -0.314 18547 17017 1 17 . 1 1 183 183 ALA N N 173 123.500 123.500 123.171 0.329 18547 17018 1 17 . 1 1 183 183 ALA HA H 173 4.150 4.150 3.992 0.158 18547 17019 1 17 . 1 1 183 183 ALA C C 173 181.500 181.500 179.330 2.170 18547 17020 1 17 . 1 1 183 183 ALA CA C 173 55.000 55.000 54.634 0.366 18547 17021 1 17 . 1 1 183 183 ALA CB C 173 17.100 17.100 17.848 -0.748 18547 17022 1 17 . 1 1 183 183 ALA H H 173 7.800 7.800 7.563 0.237 18547 17023 1 17 . 1 1 184 184 TRP N N 174 118.100 118.100 118.795 -0.695 18547 17024 1 17 . 1 1 184 184 TRP HA H 174 4.540 4.540 4.277 0.263 18547 17025 1 17 . 1 1 184 184 TRP C C 174 178.500 178.500 178.181 0.319 18547 17026 1 17 . 1 1 184 184 TRP CA C 174 60.600 60.600 59.822 0.778 18547 17027 1 17 . 1 1 184 184 TRP CB C 174 30.800 30.800 29.292 1.508 18547 17028 1 17 . 1 1 184 184 TRP H H 174 8.400 8.400 7.705 0.695 18547 17029 1 17 . 1 1 185 185 ALA N N 175 121.700 121.700 122.341 -0.641 18547 17030 1 17 . 1 1 185 185 ALA HA H 175 3.920 3.920 3.831 0.089 18547 17031 1 17 . 1 1 185 185 ALA C C 175 179.600 179.600 178.542 1.058 18547 17032 1 17 . 1 1 185 185 ALA CA C 175 55.600 55.600 54.631 0.969 18547 17033 1 17 . 1 1 185 185 ALA CB C 175 17.900 17.900 17.752 0.148 18547 17034 1 17 . 1 1 185 185 ALA H H 175 8.800 8.800 8.042 0.758 18547 17035 1 17 . 1 1 186 186 ALA N N 176 119.000 119.000 121.070 -2.070 18547 17036 1 17 . 1 1 186 186 ALA HA H 176 4.190 4.190 3.847 0.343 18547 17037 1 17 . 1 1 186 186 ALA C C 176 180.300 180.300 179.520 0.780 18547 17038 1 17 . 1 1 186 186 ALA CA C 176 54.800 54.800 54.666 0.134 18547 17039 1 17 . 1 1 186 186 ALA CB C 176 17.900 17.900 18.251 -0.351 18547 17040 1 17 . 1 1 186 186 ALA H H 176 7.860 7.860 7.422 0.438 18547 17041 1 17 . 1 1 187 187 LEU N N 177 118.500 118.500 117.663 0.837 18547 17042 1 17 . 1 1 187 187 LEU HA H 177 4.210 4.210 3.996 0.214 18547 17043 1 17 . 1 1 187 187 LEU C C 177 179.400 179.400 179.554 -0.154 18547 17044 1 17 . 1 1 187 187 LEU CA C 177 57.600 57.600 57.360 0.240 18547 17045 1 17 . 1 1 187 187 LEU CB C 177 42.700 42.700 41.864 0.836 18547 17046 1 17 . 1 1 187 187 LEU H H 177 7.460 7.460 7.630 -0.170 18547 17047 1 17 . 1 1 188 188 VAL N N 178 118.500 118.500 119.254 -0.754 18547 17048 1 17 . 1 1 188 188 VAL HA H 178 3.660 3.660 3.879 -0.219 18547 17049 1 17 . 1 1 188 188 VAL C C 178 177.600 177.600 178.093 -0.493 18547 17050 1 17 . 1 1 188 188 VAL CA C 178 66.000 66.000 64.399 1.601 18547 17051 1 17 . 1 1 188 188 VAL CB C 178 32.400 32.400 31.610 0.790 18547 17052 1 17 . 1 1 188 188 VAL H H 178 8.640 8.640 7.579 1.061 18547 17053 1 17 . 1 1 189 189 HIS N N 179 116.000 116.000 119.111 -3.111 18547 17054 1 17 . 1 1 189 189 HIS HA H 179 4.780 4.780 4.580 0.200 18547 17055 1 17 . 1 1 189 189 HIS C C 179 175.300 175.300 177.975 -2.675 18547 17056 1 17 . 1 1 189 189 HIS CA C 179 56.200 56.200 58.467 -2.267 18547 17057 1 17 . 1 1 189 189 HIS CB C 179 28.500 28.500 29.469 -0.969 18547 17058 1 17 . 1 1 189 189 HIS H H 179 8.150 8.150 8.159 -0.009 18547 17059 1 17 . 1 1 190 190 SER N N 180 115.000 115.000 116.202 -1.202 18547 17060 1 17 . 1 1 190 190 SER HA H 180 4.480 4.480 4.280 0.200 18547 17061 1 17 . 1 1 190 190 SER C C 180 175.100 175.100 175.775 -0.675 18547 17062 1 17 . 1 1 190 190 SER CA C 180 59.500 59.500 60.633 -1.133 18547 17063 1 17 . 1 1 190 190 SER CB C 180 64.000 64.000 63.082 0.918 18547 17064 1 17 . 1 1 190 190 SER H H 180 7.820 7.820 7.997 -0.177 18547 17065 1 17 . 1 1 191 191 GLY N N 181 111.100 111.100 108.499 2.601 18547 17066 1 17 . 1 1 191 191 GLY C C 181 173.400 173.400 173.717 -0.317 18547 17067 1 17 . 1 1 191 191 GLY CA C 181 45.500 45.500 45.087 0.413 18547 17068 1 17 . 1 1 191 191 GLY H H 181 8.330 8.330 7.841 0.489 18547 17069 1 18 . 1 1 12 12 ALA N N 2 125.600 125.600 123.895 1.705 18547 17070 1 18 . 1 1 12 12 ALA HA H 2 4.300 4.300 4.612 -0.312 18547 17071 1 18 . 1 1 12 12 ALA C C 2 177.600 177.600 176.921 0.679 18547 17072 1 18 . 1 1 12 12 ALA CA C 2 52.600 52.600 52.461 0.139 18547 17073 1 18 . 1 1 12 12 ALA CB C 2 19.200 19.200 17.835 1.365 18547 17074 1 18 . 1 1 12 12 ALA H H 2 8.380 8.380 8.242 0.138 18547 17075 1 18 . 1 1 13 13 SER N N 3 115.000 115.000 115.481 -0.481 18547 17076 1 18 . 1 1 13 13 SER HA H 3 4.390 4.390 4.456 -0.066 18547 17077 1 18 . 1 1 13 13 SER C C 3 175.100 175.100 174.080 1.020 18547 17078 1 18 . 1 1 13 13 SER CA C 3 58.500 58.500 58.019 0.481 18547 17079 1 18 . 1 1 13 13 SER CB C 3 63.800 63.800 64.655 -0.855 18547 17080 1 18 . 1 1 13 13 SER H H 3 8.250 8.250 7.990 0.260 18547 17081 1 18 . 1 1 14 14 GLY N N 4 110.700 110.700 111.427 -0.727 18547 17082 1 18 . 1 1 14 14 GLY C C 4 174.000 174.000 173.367 0.633 18547 17083 1 18 . 1 1 14 14 GLY CA C 4 45.400 45.400 45.641 -0.241 18547 17084 1 18 . 1 1 14 14 GLY H H 4 8.390 8.390 8.063 0.327 18547 17085 1 18 . 1 1 15 15 GLN N N 5 120.100 120.100 120.787 -0.687 18547 17086 1 18 . 1 1 15 15 GLN HA H 5 4.310 4.310 4.397 -0.087 18547 17087 1 18 . 1 1 15 15 GLN C C 5 175.500 175.500 174.125 1.375 18547 17088 1 18 . 1 1 15 15 GLN CA C 5 55.600 55.600 53.852 1.748 18547 17089 1 18 . 1 1 15 15 GLN CB C 5 29.700 29.700 30.199 -0.499 18547 17090 1 18 . 1 1 15 15 GLN H H 5 8.190 8.190 7.943 0.247 18547 17091 1 18 . 1 1 16 16 ALA N N 6 126.000 126.000 127.622 -1.622 18547 17092 1 18 . 1 1 16 16 ALA HA H 6 4.360 4.360 4.506 -0.146 18547 17093 1 18 . 1 1 16 16 ALA C C 6 177.300 177.300 175.979 1.321 18547 17094 1 18 . 1 1 16 16 ALA CA C 6 52.300 52.300 52.284 0.016 18547 17095 1 18 . 1 1 16 16 ALA CB C 6 19.200 19.200 19.645 -0.445 18547 17096 1 18 . 1 1 16 16 ALA H H 6 8.400 8.400 8.533 -0.133 18547 17097 1 18 . 1 1 17 17 THR N N 7 119.200 119.200 118.026 1.174 18547 17098 1 18 . 1 1 17 17 THR HA H 7 4.370 4.370 4.776 -0.406 18547 17099 1 18 . 1 1 17 17 THR C C 7 173.600 173.600 174.228 -0.628 18547 17100 1 18 . 1 1 17 17 THR CA C 7 63.200 63.200 61.735 1.465 18547 17101 1 18 . 1 1 17 17 THR CB C 7 70.600 70.600 68.812 1.788 18547 17102 1 18 . 1 1 17 17 THR H H 7 8.180 8.180 8.230 -0.050 18547 17103 1 18 . 1 1 18 18 GLU N N 8 127.500 127.500 126.870 0.630 18547 17104 1 18 . 1 1 18 18 GLU HA H 8 4.540 4.540 4.518 0.022 18547 17105 1 18 . 1 1 18 18 GLU C C 8 174.200 174.200 175.336 -1.136 18547 17106 1 18 . 1 1 18 18 GLU CA C 8 55.100 55.100 55.536 -0.436 18547 17107 1 18 . 1 1 18 18 GLU CB C 8 31.900 31.900 31.564 0.336 18547 17108 1 18 . 1 1 18 18 GLU H H 8 8.810 8.810 8.151 0.659 18547 17109 1 18 . 1 1 19 19 ARG N N 9 122.100 122.100 122.203 -0.103 18547 17110 1 18 . 1 1 19 19 ARG HA H 9 5.060 5.060 5.270 -0.210 18547 17111 1 18 . 1 1 19 19 ARG C C 9 175.000 175.000 174.773 0.227 18547 17112 1 18 . 1 1 19 19 ARG CA C 9 54.800 54.800 54.862 -0.062 18547 17113 1 18 . 1 1 19 19 ARG CB C 9 31.600 31.600 32.353 -0.753 18547 17114 1 18 . 1 1 19 19 ARG H H 9 8.070 8.070 8.506 -0.436 18547 17115 1 18 . 1 1 20 20 ALA N N 10 126.300 126.300 124.842 1.458 18547 17116 1 18 . 1 1 20 20 ALA HA H 10 4.640 4.640 4.619 0.021 18547 17117 1 18 . 1 1 20 20 ALA C C 10 173.800 173.800 174.713 -0.913 18547 17118 1 18 . 1 1 20 20 ALA CA C 10 51.100 51.100 51.464 -0.364 18547 17119 1 18 . 1 1 20 20 ALA CB C 10 22.800 22.800 21.787 1.013 18547 17120 1 18 . 1 1 20 20 ALA H H 10 9.390 9.390 8.507 0.883 18547 17121 1 18 . 1 1 21 21 LEU N N 11 117.500 117.500 119.704 -2.204 18547 17122 1 18 . 1 1 21 21 LEU HA H 11 5.790 5.790 5.465 0.325 18547 17123 1 18 . 1 1 21 21 LEU C C 11 178.100 178.100 176.162 1.938 18547 17124 1 18 . 1 1 21 21 LEU CA C 11 53.100 53.100 53.889 -0.790 18547 17125 1 18 . 1 1 21 21 LEU CB C 11 45.400 45.400 46.176 -0.776 18547 17126 1 18 . 1 1 21 21 LEU H H 11 8.280 8.280 8.430 -0.150 18547 17127 1 18 . 1 1 22 22 GLY N N 12 113.400 113.400 109.707 3.693 18547 17128 1 18 . 1 1 22 22 GLY C C 12 174.800 174.800 171.746 3.054 18547 17129 1 18 . 1 1 22 22 GLY CA C 12 44.500 44.500 45.186 -0.686 18547 17130 1 18 . 1 1 22 22 GLY H H 12 8.830 8.830 8.892 -0.062 18547 17131 1 18 . 1 1 23 23 ARG N N 13 119.600 119.600 117.649 1.951 18547 17132 1 18 . 1 1 23 23 ARG HA H 13 5.040 5.040 4.762 0.278 18547 17133 1 18 . 1 1 23 23 ARG C C 13 174.900 174.900 174.598 0.302 18547 17134 1 18 . 1 1 23 23 ARG CA C 13 55.800 55.800 55.044 0.756 18547 17135 1 18 . 1 1 23 23 ARG CB C 13 33.600 33.600 32.716 0.884 18547 17136 1 18 . 1 1 23 23 ARG H H 13 8.160 8.160 8.424 -0.264 18547 17137 1 18 . 1 1 24 24 ARG N N 14 121.900 121.900 124.987 -3.087 18547 17138 1 18 . 1 1 24 24 ARG HA H 14 4.530 4.530 4.623 -0.093 18547 17139 1 18 . 1 1 24 24 ARG C C 14 174.000 174.000 175.148 -1.148 18547 17140 1 18 . 1 1 24 24 ARG CA C 14 55.200 55.200 55.066 0.134 18547 17141 1 18 . 1 1 24 24 ARG CB C 14 34.700 34.700 32.394 2.306 18547 17142 1 18 . 1 1 24 24 ARG H H 14 8.780 8.780 8.556 0.224 18547 17143 1 18 . 1 1 25 25 THR N N 15 121.700 121.700 123.526 -1.826 18547 17144 1 18 . 1 1 25 25 THR HA H 15 4.420 4.420 4.492 -0.072 18547 17145 1 18 . 1 1 25 25 THR C C 15 173.700 173.700 174.677 -0.977 18547 17146 1 18 . 1 1 25 25 THR CA C 15 63.600 63.600 63.354 0.246 18547 17147 1 18 . 1 1 25 25 THR CB C 15 68.600 68.600 68.322 0.278 18547 17148 1 18 . 1 1 25 25 THR H H 15 8.800 8.800 8.501 0.299 18547 17149 1 18 . 1 1 26 26 ILE N N 16 124.200 124.200 123.988 0.212 18547 17150 1 18 . 1 1 26 26 ILE HA H 16 4.940 4.940 4.691 0.249 18547 17151 1 18 . 1 1 26 26 ILE CA C 16 59.300 59.300 58.378 0.922 18547 17152 1 18 . 1 1 26 26 ILE CB C 16 38.200 38.200 37.525 0.675 18547 17153 1 18 . 1 1 26 26 ILE H H 16 8.420 8.420 7.965 0.455 18547 17154 1 18 . 1 1 27 27 PRO HA H 17 4.180 4.180 4.186 -0.006 18547 17155 1 18 . 1 1 27 27 PRO C C 17 178.100 178.100 176.909 1.191 18547 17156 1 18 . 1 1 27 27 PRO CA C 17 67.200 67.200 65.053 2.147 18547 17157 1 18 . 1 1 27 27 PRO CB C 17 30.700 30.700 31.882 -1.182 18547 17158 1 18 . 1 1 28 28 ALA N N 18 114.800 114.800 121.429 -6.629 18547 17159 1 18 . 1 1 28 28 ALA HA H 18 4.270 4.270 4.230 0.040 18547 17160 1 18 . 1 1 28 28 ALA C C 18 177.000 177.000 177.179 -0.179 18547 17161 1 18 . 1 1 28 28 ALA CA C 18 53.100 53.100 53.632 -0.532 18547 17162 1 18 . 1 1 28 28 ALA CB C 18 19.500 19.500 19.807 -0.307 18547 17163 1 18 . 1 1 28 28 ALA H H 18 8.060 8.060 8.190 -0.130 18547 17164 1 18 . 1 1 29 29 GLY N N 19 107.100 107.100 104.653 2.447 18547 17165 1 18 . 1 1 29 29 GLY C C 19 171.900 171.900 172.042 -0.142 18547 17166 1 18 . 1 1 29 29 GLY CA C 19 44.000 44.000 44.781 -0.781 18547 17167 1 18 . 1 1 29 29 GLY H H 19 8.140 8.140 7.594 0.546 18547 17168 1 18 . 1 1 30 30 GLU N N 20 120.000 120.000 120.933 -0.933 18547 17169 1 18 . 1 1 30 30 GLU HA H 20 4.320 4.320 4.110 0.210 18547 17170 1 18 . 1 1 30 30 GLU C C 20 175.600 175.600 175.772 -0.172 18547 17171 1 18 . 1 1 30 30 GLU CA C 20 57.300 57.300 57.101 0.199 18547 17172 1 18 . 1 1 30 30 GLU CB C 20 29.100 29.100 29.332 -0.232 18547 17173 1 18 . 1 1 30 30 GLU H H 20 8.380 8.380 8.488 -0.108 18547 17174 1 18 . 1 1 31 31 ALA N N 21 129.500 129.500 127.771 1.729 18547 17175 1 18 . 1 1 31 31 ALA HA H 21 4.610 4.610 4.646 -0.036 18547 17176 1 18 . 1 1 31 31 ALA C C 21 177.200 177.200 176.229 0.971 18547 17177 1 18 . 1 1 31 31 ALA CA C 21 51.200 51.200 50.688 0.512 18547 17178 1 18 . 1 1 31 31 ALA CB C 21 22.500 22.500 22.309 0.191 18547 17179 1 18 . 1 1 31 31 ALA H H 21 8.660 8.660 7.986 0.674 18547 17180 1 18 . 1 1 32 32 ARG N N 22 120.400 120.400 117.991 2.409 18547 17181 1 18 . 1 1 32 32 ARG HA H 22 4.950 4.950 4.734 0.216 18547 17182 1 18 . 1 1 32 32 ARG C C 22 173.400 173.400 175.145 -1.745 18547 17183 1 18 . 1 1 32 32 ARG CA C 22 55.500 55.500 54.715 0.785 18547 17184 1 18 . 1 1 32 32 ARG CB C 22 32.500 32.500 33.981 -1.481 18547 17185 1 18 . 1 1 32 32 ARG H H 22 8.090 8.090 8.089 0.001 18547 17186 1 18 . 1 1 33 33 SER N N 23 113.800 113.800 113.427 0.373 18547 17187 1 18 . 1 1 33 33 SER HA H 23 5.560 5.560 5.501 0.059 18547 17188 1 18 . 1 1 33 33 SER C C 23 174.500 174.500 174.179 0.321 18547 17189 1 18 . 1 1 33 33 SER CA C 23 55.600 55.600 56.547 -0.947 18547 17190 1 18 . 1 1 33 33 SER CB C 23 67.300 67.300 66.362 0.938 18547 17191 1 18 . 1 1 33 33 SER H H 23 8.080 8.080 8.681 -0.601 18547 17192 1 18 . 1 1 34 34 ILE N N 24 112.700 112.700 117.844 -5.144 18547 17193 1 18 . 1 1 34 34 ILE HA H 24 4.950 4.950 4.730 0.220 18547 17194 1 18 . 1 1 34 34 ILE C C 24 175.400 175.400 174.617 0.783 18547 17195 1 18 . 1 1 34 34 ILE CA C 24 58.300 58.300 60.608 -2.308 18547 17196 1 18 . 1 1 34 34 ILE CB C 24 39.900 39.900 39.363 0.537 18547 17197 1 18 . 1 1 34 34 ILE H H 24 7.980 7.980 8.483 -0.503 18547 17198 1 18 . 1 1 35 35 ILE N N 25 121.800 121.800 124.196 -2.396 18547 17199 1 18 . 1 1 35 35 ILE HA H 25 4.960 4.960 4.435 0.525 18547 17200 1 18 . 1 1 35 35 ILE C C 25 174.800 174.800 174.708 0.092 18547 17201 1 18 . 1 1 35 35 ILE CA C 25 60.700 60.700 60.412 0.288 18547 17202 1 18 . 1 1 35 35 ILE CB C 25 41.300 41.300 39.458 1.842 18547 17203 1 18 . 1 1 35 35 ILE H H 25 8.960 8.960 8.271 0.689 18547 17204 1 18 . 1 1 36 36 ILE N N 26 127.900 127.900 128.212 -0.312 18547 17205 1 18 . 1 1 36 36 ILE HA H 26 4.770 4.770 4.781 -0.011 18547 17206 1 18 . 1 1 36 36 ILE C C 26 175.000 175.000 175.027 -0.027 18547 17207 1 18 . 1 1 36 36 ILE CA C 26 59.900 59.900 60.434 -0.534 18547 17208 1 18 . 1 1 36 36 ILE CB C 26 42.100 42.100 38.373 3.727 18547 17209 1 18 . 1 1 36 36 ILE H H 26 9.210 9.210 8.087 1.123 18547 17210 1 18 . 1 1 37 37 ARG N N 27 124.100 124.100 127.483 -3.383 18547 17211 1 18 . 1 1 37 37 ARG HA H 27 5.850 5.850 5.133 0.717 18547 17212 1 18 . 1 1 37 37 ARG C C 27 176.200 176.200 175.350 0.850 18547 17213 1 18 . 1 1 37 37 ARG CA C 27 54.100 54.100 54.758 -0.658 18547 17214 1 18 . 1 1 37 37 ARG CB C 27 32.900 32.900 32.184 0.716 18547 17215 1 18 . 1 1 37 37 ARG H H 27 8.670 8.670 8.842 -0.172 18547 17216 1 18 . 1 1 38 38 GLN N N 28 122.900 122.900 119.264 3.636 18547 17217 1 18 . 1 1 38 38 GLN HA H 28 4.710 4.710 4.916 -0.206 18547 17218 1 18 . 1 1 38 38 GLN C C 28 173.200 173.200 173.998 -0.798 18547 17219 1 18 . 1 1 38 38 GLN CA C 28 54.400 54.400 54.735 -0.335 18547 17220 1 18 . 1 1 38 38 GLN CB C 28 35.200 35.200 32.884 2.316 18547 17221 1 18 . 1 1 38 38 GLN H H 28 9.310 9.310 8.678 0.632 18547 17222 1 18 . 1 1 39 39 ARG N N 29 121.400 121.400 123.575 -2.175 18547 17223 1 18 . 1 1 39 39 ARG HA H 29 5.260 5.260 5.048 0.212 18547 17224 1 18 . 1 1 39 39 ARG C C 29 175.400 175.400 176.044 -0.644 18547 17225 1 18 . 1 1 39 39 ARG CA C 29 55.100 55.100 54.957 0.143 18547 17226 1 18 . 1 1 39 39 ARG CB C 29 32.500 32.500 29.770 2.730 18547 17227 1 18 . 1 1 39 39 ARG H H 29 8.510 8.510 8.787 -0.277 18547 17228 1 18 . 1 1 40 40 TYR N N 30 120.000 120.000 124.936 -4.936 18547 17229 1 18 . 1 1 40 40 TYR HA H 30 4.600 4.600 4.381 0.219 18547 17230 1 18 . 1 1 40 40 TYR C C 30 175.600 175.600 176.431 -0.831 18547 17231 1 18 . 1 1 40 40 TYR CA C 30 56.900 56.900 58.881 -1.981 18547 17232 1 18 . 1 1 40 40 TYR CB C 30 42.700 42.700 39.174 3.526 18547 17233 1 18 . 1 1 40 40 TYR H H 30 9.140 9.140 8.783 0.357 18547 17234 1 18 . 1 1 41 41 ASP N N 31 126.400 126.400 124.373 2.027 18547 17235 1 18 . 1 1 41 41 ASP HA H 31 4.880 4.880 4.601 0.279 18547 17236 1 18 . 1 1 41 41 ASP C C 31 174.500 174.500 174.674 -0.174 18547 17237 1 18 . 1 1 41 41 ASP CA C 31 53.200 53.200 53.799 -0.599 18547 17238 1 18 . 1 1 41 41 ASP CB C 31 39.200 39.200 40.141 -0.941 18547 17239 1 18 . 1 1 41 41 ASP H H 31 9.140 9.140 8.853 0.287 18547 17240 1 18 . 1 1 42 42 ALA N N 32 123.100 123.100 122.241 0.859 18547 17241 1 18 . 1 1 42 42 ALA HA H 32 4.690 4.690 4.710 -0.020 18547 17242 1 18 . 1 1 42 42 ALA CA C 32 50.100 50.100 49.552 0.548 18547 17243 1 18 . 1 1 42 42 ALA CB C 32 20.200 20.200 20.577 -0.377 18547 17244 1 18 . 1 1 42 42 ALA H H 32 7.770 7.770 7.581 0.189 18547 17245 1 18 . 1 1 43 43 PRO HA H 33 4.650 4.650 4.554 0.096 18547 17246 1 18 . 1 1 43 43 PRO C C 33 178.100 178.100 177.521 0.579 18547 17247 1 18 . 1 1 43 43 PRO CA C 33 62.000 62.000 62.768 -0.768 18547 17248 1 18 . 1 1 43 43 PRO CB C 33 33.000 33.000 33.130 -0.130 18547 17249 1 18 . 1 1 44 44 VAL N N 34 123.500 123.500 119.834 3.666 18547 17250 1 18 . 1 1 44 44 VAL HA H 34 3.960 3.960 3.634 0.326 18547 17251 1 18 . 1 1 44 44 VAL C C 34 177.500 177.500 177.979 -0.479 18547 17252 1 18 . 1 1 44 44 VAL CA C 34 66.000 66.000 66.596 -0.596 18547 17253 1 18 . 1 1 44 44 VAL CB C 34 32.000 32.000 31.899 0.101 18547 17254 1 18 . 1 1 44 44 VAL H H 34 8.570 8.570 8.526 0.044 18547 17255 1 18 . 1 1 45 45 ASP N N 35 116.200 116.200 119.162 -2.962 18547 17256 1 18 . 1 1 45 45 ASP HA H 35 4.290 4.290 4.247 0.043 18547 17257 1 18 . 1 1 45 45 ASP C C 35 178.800 178.800 177.704 1.096 18547 17258 1 18 . 1 1 45 45 ASP CA C 35 57.500 57.500 57.432 0.068 18547 17259 1 18 . 1 1 45 45 ASP CB C 35 40.400 40.400 40.334 0.066 18547 17260 1 18 . 1 1 45 45 ASP H H 35 8.520 8.520 8.560 -0.040 18547 17261 1 18 . 1 1 46 46 GLU N N 36 120.100 120.100 120.577 -0.477 18547 17262 1 18 . 1 1 46 46 GLU HA H 36 4.260 4.260 4.115 0.145 18547 17263 1 18 . 1 1 46 46 GLU C C 36 179.000 179.000 178.635 0.365 18547 17264 1 18 . 1 1 46 46 GLU CA C 36 58.400 58.400 59.528 -1.128 18547 17265 1 18 . 1 1 46 46 GLU CB C 36 29.700 29.700 29.625 0.075 18547 17266 1 18 . 1 1 46 46 GLU H H 36 7.360 7.360 8.024 -0.664 18547 17267 1 18 . 1 1 47 47 VAL N N 37 121.800 121.800 120.110 1.690 18547 17268 1 18 . 1 1 47 47 VAL HA H 37 3.370 3.370 3.527 -0.157 18547 17269 1 18 . 1 1 47 47 VAL C C 37 177.100 177.100 177.743 -0.643 18547 17270 1 18 . 1 1 47 47 VAL CA C 37 66.900 66.900 67.058 -0.158 18547 17271 1 18 . 1 1 47 47 VAL CB C 37 31.000 31.000 31.175 -0.175 18547 17272 1 18 . 1 1 47 47 VAL H H 37 7.680 7.680 7.796 -0.116 18547 17273 1 18 . 1 1 48 48 TRP N N 38 119.800 119.800 120.197 -0.397 18547 17274 1 18 . 1 1 48 48 TRP HA H 38 3.990 3.990 4.163 -0.173 18547 17275 1 18 . 1 1 48 48 TRP C C 38 180.700 180.700 178.745 1.955 18547 17276 1 18 . 1 1 48 48 TRP CA C 38 60.900 60.900 60.395 0.505 18547 17277 1 18 . 1 1 48 48 TRP CB C 38 29.300 29.300 29.142 0.158 18547 17278 1 18 . 1 1 48 48 TRP H H 38 9.160 9.160 8.259 0.901 18547 17279 1 18 . 1 1 49 49 SER N N 39 116.100 116.100 116.526 -0.426 18547 17280 1 18 . 1 1 49 49 SER HA H 39 4.010 4.010 4.204 -0.194 18547 17281 1 18 . 1 1 49 49 SER C C 39 175.700 175.700 176.776 -1.076 18547 17282 1 18 . 1 1 49 49 SER CA C 39 62.700 62.700 61.701 0.999 18547 17283 1 18 . 1 1 49 49 SER CB C 39 62.700 62.700 62.979 -0.279 18547 17284 1 18 . 1 1 49 49 SER H H 39 8.230 8.230 8.207 0.023 18547 17285 1 18 . 1 1 50 50 ALA N N 40 122.300 122.300 123.280 -0.980 18547 17286 1 18 . 1 1 50 50 ALA HA H 40 4.020 4.020 4.214 -0.194 18547 17287 1 18 . 1 1 50 50 ALA C C 40 176.700 176.700 179.610 -2.910 18547 17288 1 18 . 1 1 50 50 ALA CA C 40 55.200 55.200 55.449 -0.249 18547 17289 1 18 . 1 1 50 50 ALA CB C 40 18.800 18.800 18.300 0.500 18547 17290 1 18 . 1 1 50 50 ALA H H 40 7.770 7.770 8.407 -0.637 18547 17291 1 18 . 1 1 51 51 CYS N N 41 109.400 109.400 114.135 -4.735 18547 17292 1 18 . 1 1 51 51 CYS HA H 41 4.510 4.510 4.619 -0.109 18547 17293 1 18 . 1 1 51 51 CYS C C 41 172.200 172.200 176.183 -3.983 18547 17294 1 18 . 1 1 51 51 CYS CA C 41 61.100 61.100 62.065 -0.965 18547 17295 1 18 . 1 1 51 51 CYS CB C 41 29.800 29.800 27.593 2.207 18547 17296 1 18 . 1 1 51 51 CYS H H 41 7.080 7.080 7.887 -0.807 18547 17297 1 18 . 1 1 52 52 THR N N 42 100.100 100.100 111.091 -10.991 18547 17298 1 18 . 1 1 52 52 THR HA H 42 4.240 4.240 4.275 -0.035 18547 17299 1 18 . 1 1 52 52 THR C C 42 173.500 173.500 174.996 -1.496 18547 17300 1 18 . 1 1 52 52 THR CA C 42 62.200 62.200 62.062 0.138 18547 17301 1 18 . 1 1 52 52 THR CB C 42 71.800 71.800 70.349 1.451 18547 17302 1 18 . 1 1 52 52 THR H H 42 6.800 6.800 7.421 -0.621 18547 17303 1 18 . 1 1 53 53 ASP N N 43 123.000 123.000 125.459 -2.459 18547 17304 1 18 . 1 1 53 53 ASP HA H 43 5.080 5.080 4.824 0.256 18547 17305 1 18 . 1 1 53 53 ASP CA C 43 50.600 50.600 54.276 -3.676 18547 17306 1 18 . 1 1 53 53 ASP CB C 43 42.000 42.000 41.675 0.326 18547 17307 1 18 . 1 1 53 53 ASP H H 43 8.040 8.040 8.039 0.001 18547 17308 1 18 . 1 1 54 54 PRO HA H 44 3.960 3.960 4.171 -0.211 18547 17309 1 18 . 1 1 54 54 PRO C C 44 176.300 176.300 177.942 -1.642 18547 17310 1 18 . 1 1 54 54 PRO CA C 44 65.900 65.900 65.919 -0.019 18547 17311 1 18 . 1 1 54 54 PRO CB C 44 32.700 32.700 31.972 0.728 18547 17312 1 18 . 1 1 55 55 ASN N N 45 112.700 112.700 114.528 -1.828 18547 17313 1 18 . 1 1 55 55 ASN HA H 45 4.520 4.520 4.455 0.065 18547 17314 1 18 . 1 1 55 55 ASN C C 45 175.900 175.900 176.217 -0.317 18547 17315 1 18 . 1 1 55 55 ASN CA C 45 55.100 55.100 55.329 -0.229 18547 17316 1 18 . 1 1 55 55 ASN CB C 45 38.900 38.900 38.219 0.681 18547 17317 1 18 . 1 1 55 55 ASN H H 45 8.160 8.160 8.845 -0.685 18547 17318 1 18 . 1 1 56 56 ARG N N 46 117.700 117.700 117.822 -0.122 18547 17319 1 18 . 1 1 56 56 ARG HA H 46 4.250 4.250 4.490 -0.240 18547 17320 1 18 . 1 1 56 56 ARG C C 46 177.100 177.100 178.100 -1.000 18547 17321 1 18 . 1 1 56 56 ARG CA C 46 58.400 58.400 57.743 0.657 18547 17322 1 18 . 1 1 56 56 ARG CB C 46 31.800 31.800 31.582 0.218 18547 17323 1 18 . 1 1 56 56 ARG H H 46 7.940 7.940 7.554 0.386 18547 17324 1 18 . 1 1 57 57 ILE N N 47 120.100 120.100 120.123 -0.023 18547 17325 1 18 . 1 1 57 57 ILE HA H 47 3.420 3.420 3.448 -0.028 18547 17326 1 18 . 1 1 57 57 ILE C C 47 177.400 177.400 177.407 -0.007 18547 17327 1 18 . 1 1 57 57 ILE CA C 47 64.400 64.400 64.528 -0.128 18547 17328 1 18 . 1 1 57 57 ILE CB C 47 39.500 39.500 38.144 1.356 18547 17329 1 18 . 1 1 57 57 ILE H H 47 8.610 8.610 7.957 0.653 18547 17330 1 18 . 1 1 58 58 ASN N N 48 112.100 112.100 117.062 -4.962 18547 17331 1 18 . 1 1 58 58 ASN HA H 48 3.780 3.780 4.462 -0.682 18547 17332 1 18 . 1 1 58 58 ASN C C 48 175.300 175.300 176.179 -0.879 18547 17333 1 18 . 1 1 58 58 ASN CA C 48 54.400 54.400 54.997 -0.597 18547 17334 1 18 . 1 1 58 58 ASN CB C 48 38.200 38.200 38.097 0.103 18547 17335 1 18 . 1 1 58 58 ASN H H 48 7.440 7.440 7.944 -0.504 18547 17336 1 18 . 1 1 59 59 ARG N N 49 115.600 115.600 119.502 -3.902 18547 17337 1 18 . 1 1 59 59 ARG HA H 49 4.120 4.120 4.004 0.116 18547 17338 1 18 . 1 1 59 59 ARG C C 49 174.700 174.700 176.452 -1.752 18547 17339 1 18 . 1 1 59 59 ARG CA C 49 55.900 55.900 58.111 -2.211 18547 17340 1 18 . 1 1 59 59 ARG CB C 49 29.900 29.900 30.129 -0.229 18547 17341 1 18 . 1 1 59 59 ARG H H 49 7.370 7.370 7.466 -0.096 18547 17342 1 18 . 1 1 60 60 TRP N N 50 112.500 112.500 113.579 -1.079 18547 17343 1 18 . 1 1 60 60 TRP HA H 50 4.860 4.860 4.738 0.122 18547 17344 1 18 . 1 1 60 60 TRP C C 50 173.400 173.400 174.488 -1.088 18547 17345 1 18 . 1 1 60 60 TRP CA C 50 55.800 55.800 55.758 0.042 18547 17346 1 18 . 1 1 60 60 TRP CB C 50 31.500 31.500 30.770 0.730 18547 17347 1 18 . 1 1 60 60 TRP H H 50 6.860 6.860 7.289 -0.429 18547 17348 1 18 . 1 1 61 61 PHE N N 51 126.400 126.400 117.097 9.303 18547 17349 1 18 . 1 1 61 61 PHE HA H 51 4.690 4.690 4.521 0.169 18547 17350 1 18 . 1 1 61 61 PHE C C 51 173.000 173.000 172.980 0.020 18547 17351 1 18 . 1 1 61 61 PHE CA C 51 55.000 55.000 57.156 -2.156 18547 17352 1 18 . 1 1 61 61 PHE CB C 51 37.600 37.600 41.204 -3.604 18547 17353 1 18 . 1 1 61 61 PHE H H 51 7.830 7.830 7.146 0.684 18547 17354 1 18 . 1 1 62 62 ILE N N 52 126.800 126.800 121.696 5.104 18547 17355 1 18 . 1 1 62 62 ILE HA H 52 3.760 3.760 3.972 -0.212 18547 17356 1 18 . 1 1 62 62 ILE C C 52 172.600 172.600 174.859 -2.259 18547 17357 1 18 . 1 1 62 62 ILE CA C 52 59.900 59.900 61.115 -1.215 18547 17358 1 18 . 1 1 62 62 ILE CB C 52 41.600 41.600 38.249 3.351 18547 17359 1 18 . 1 1 62 62 ILE H H 52 6.010 6.010 7.018 -1.008 18547 17360 1 18 . 1 1 63 63 GLU N N 53 124.400 124.400 129.250 -4.850 18547 17361 1 18 . 1 1 63 63 GLU HA H 53 3.850 3.850 4.380 -0.530 18547 17362 1 18 . 1 1 63 63 GLU CA C 53 54.800 54.800 53.707 1.093 18547 17363 1 18 . 1 1 63 63 GLU CB C 53 31.700 31.700 30.191 1.510 18547 17364 1 18 . 1 1 63 63 GLU H H 53 8.280 8.280 8.441 -0.161 18547 17365 1 18 . 1 1 64 64 PRO HA H 54 4.920 4.920 4.611 0.309 18547 17366 1 18 . 1 1 64 64 PRO C C 54 175.500 175.500 176.207 -0.707 18547 17367 1 18 . 1 1 64 64 PRO CA C 54 62.000 62.000 62.484 -0.484 18547 17368 1 18 . 1 1 64 64 PRO CB C 54 31.800 31.800 32.539 -0.739 18547 17369 1 18 . 1 1 65 65 LYS N N 55 120.200 120.200 125.895 -5.695 18547 17370 1 18 . 1 1 65 65 LYS HA H 55 4.780 4.780 4.198 0.582 18547 17371 1 18 . 1 1 65 65 LYS C C 55 176.000 176.000 176.715 -0.715 18547 17372 1 18 . 1 1 65 65 LYS CA C 55 54.200 54.200 57.218 -3.018 18547 17373 1 18 . 1 1 65 65 LYS CB C 55 35.300 35.300 33.296 2.004 18547 17374 1 18 . 1 1 65 65 LYS H H 55 8.370 8.370 8.610 -0.240 18547 17375 1 18 . 1 1 66 66 GLY N N 56 109.400 109.400 111.356 -1.956 18547 17376 1 18 . 1 1 66 66 GLY C C 56 171.400 171.400 174.142 -2.742 18547 17377 1 18 . 1 1 66 66 GLY CA C 56 45.400 45.400 44.871 0.529 18547 17378 1 18 . 1 1 66 66 GLY H H 56 8.640 8.640 8.218 0.422 18547 17379 1 18 . 1 1 67 67 ASP N N 57 123.800 123.800 122.140 1.660 18547 17380 1 18 . 1 1 67 67 ASP HA H 57 4.900 4.900 4.690 0.210 18547 17381 1 18 . 1 1 67 67 ASP C C 57 175.600 175.600 177.309 -1.709 18547 17382 1 18 . 1 1 67 67 ASP CA C 57 52.400 52.400 55.340 -2.940 18547 17383 1 18 . 1 1 67 67 ASP CB C 57 40.700 40.700 41.520 -0.820 18547 17384 1 18 . 1 1 67 67 ASP H H 57 7.790 7.790 8.488 -0.698 18547 17385 1 18 . 1 1 68 68 LEU N N 58 122.800 122.800 114.627 8.173 18547 17386 1 18 . 1 1 68 68 LEU HA H 58 4.270 4.270 4.077 0.193 18547 17387 1 18 . 1 1 68 68 LEU C C 58 173.700 173.700 175.798 -2.098 18547 17388 1 18 . 1 1 68 68 LEU CA C 58 54.500 54.500 55.977 -1.477 18547 17389 1 18 . 1 1 68 68 LEU CB C 58 38.300 38.300 40.552 -2.252 18547 17390 1 18 . 1 1 68 68 LEU H H 58 8.330 8.330 7.738 0.592 18547 17391 1 18 . 1 1 69 69 ARG N N 59 121.800 121.800 117.246 4.554 18547 17392 1 18 . 1 1 69 69 ARG HA H 59 4.710 4.710 4.737 -0.027 18547 17393 1 18 . 1 1 69 69 ARG CA C 59 54.100 54.100 53.478 0.622 18547 17394 1 18 . 1 1 69 69 ARG CB C 59 31.800 31.800 31.951 -0.152 18547 17395 1 18 . 1 1 69 69 ARG H H 59 8.120 8.120 7.528 0.592 18547 17396 1 18 . 1 1 70 70 GLU N N 60 122.800 122.800 121.692 1.108 18547 17397 1 18 . 1 1 70 70 GLU HA H 60 3.870 3.870 4.223 -0.353 18547 17398 1 18 . 1 1 70 70 GLU C C 60 177.200 177.200 177.349 -0.149 18547 17399 1 18 . 1 1 70 70 GLU CA C 60 60.000 60.000 57.809 2.191 18547 17400 1 18 . 1 1 70 70 GLU CB C 60 30.200 30.200 29.147 1.053 18547 17401 1 18 . 1 1 70 70 GLU H H 60 9.130 9.130 8.789 0.341 18547 17402 1 18 . 1 1 71 71 GLY N N 61 117.100 117.100 115.011 2.089 18547 17403 1 18 . 1 1 71 71 GLY C C 61 174.900 174.900 174.438 0.462 18547 17404 1 18 . 1 1 71 71 GLY CA C 61 45.600 45.600 44.676 0.924 18547 17405 1 18 . 1 1 71 71 GLY H H 61 8.710 8.710 8.371 0.339 18547 17406 1 18 . 1 1 72 72 GLY N N 62 110.300 110.300 109.781 0.519 18547 17407 1 18 . 1 1 72 72 GLY C C 62 174.200 174.200 172.121 2.079 18547 17408 1 18 . 1 1 72 72 GLY CA C 62 43.400 43.400 43.663 -0.263 18547 17409 1 18 . 1 1 72 72 GLY H H 62 8.760 8.760 7.915 0.845 18547 17410 1 18 . 1 1 73 73 ASN N N 63 117.800 117.800 116.571 1.229 18547 17411 1 18 . 1 1 73 73 ASN HA H 63 5.490 5.490 4.978 0.512 18547 17412 1 18 . 1 1 73 73 ASN C C 63 171.400 171.400 173.757 -2.357 18547 17413 1 18 . 1 1 73 73 ASN CA C 63 52.900 52.900 52.164 0.736 18547 17414 1 18 . 1 1 73 73 ASN CB C 63 41.500 41.500 42.055 -0.555 18547 17415 1 18 . 1 1 73 73 ASN H H 63 8.890 8.890 8.147 0.743 18547 17416 1 18 . 1 1 74 74 PHE N N 64 113.500 113.500 120.254 -6.754 18547 17417 1 18 . 1 1 74 74 PHE HA H 64 5.500 5.500 5.875 -0.375 18547 17418 1 18 . 1 1 74 74 PHE C C 64 173.200 173.200 173.745 -0.545 18547 17419 1 18 . 1 1 74 74 PHE CA C 64 55.900 55.900 54.617 1.283 18547 17420 1 18 . 1 1 74 74 PHE CB C 64 44.600 44.600 42.618 1.982 18547 17421 1 18 . 1 1 74 74 PHE H H 64 8.700 8.700 8.605 0.095 18547 17422 1 18 . 1 1 75 75 ALA N N 65 122.200 122.200 123.275 -1.075 18547 17423 1 18 . 1 1 75 75 ALA HA H 65 4.350 4.350 4.514 -0.164 18547 17424 1 18 . 1 1 75 75 ALA C C 65 176.000 176.000 175.215 0.785 18547 17425 1 18 . 1 1 75 75 ALA CA C 65 52.500 52.500 51.930 0.570 18547 17426 1 18 . 1 1 75 75 ALA CB C 65 21.800 21.800 21.150 0.650 18547 17427 1 18 . 1 1 75 75 ALA H H 65 8.690 8.690 8.308 0.382 18547 17428 1 18 . 1 1 76 76 LEU N N 66 123.800 123.800 124.143 -0.343 18547 17429 1 18 . 1 1 76 76 LEU HA H 66 4.520 4.520 4.530 -0.010 18547 17430 1 18 . 1 1 76 76 LEU C C 66 175.800 175.800 177.957 -2.157 18547 17431 1 18 . 1 1 76 76 LEU CA C 66 52.500 52.500 54.237 -1.737 18547 17432 1 18 . 1 1 76 76 LEU CB C 66 42.400 42.400 42.730 -0.330 18547 17433 1 18 . 1 1 76 76 LEU H H 66 8.350 8.350 8.382 -0.032 18547 17434 1 18 . 1 1 77 77 GLN N N 67 127.400 127.400 121.693 5.707 18547 17435 1 18 . 1 1 77 77 GLN HA H 67 3.900 3.900 4.209 -0.309 18547 17436 1 18 . 1 1 77 77 GLN C C 67 176.600 176.600 175.952 0.648 18547 17437 1 18 . 1 1 77 77 GLN CA C 67 57.800 57.800 57.233 0.567 18547 17438 1 18 . 1 1 77 77 GLN CB C 67 28.000 28.000 29.136 -1.136 18547 17439 1 18 . 1 1 77 77 GLN H H 67 8.590 8.590 8.654 -0.064 18547 17440 1 18 . 1 1 78 78 GLY N N 68 114.800 114.800 106.890 7.910 18547 17441 1 18 . 1 1 78 78 GLY C C 68 173.700 173.700 173.266 0.434 18547 17442 1 18 . 1 1 78 78 GLY CA C 68 45.700 45.700 45.481 0.219 18547 17443 1 18 . 1 1 78 78 GLY H H 68 8.920 8.920 8.060 0.860 18547 17444 1 18 . 1 1 79 79 ASN N N 69 124.000 124.000 119.521 4.479 18547 17445 1 18 . 1 1 79 79 ASN HA H 69 4.600 4.600 4.732 -0.132 18547 17446 1 18 . 1 1 79 79 ASN C C 69 173.300 173.300 173.162 0.138 18547 17447 1 18 . 1 1 79 79 ASN CA C 69 52.900 52.900 53.705 -0.805 18547 17448 1 18 . 1 1 79 79 ASN CB C 69 41.600 41.600 39.298 2.302 18547 17449 1 18 . 1 1 79 79 ASN H H 69 8.360 8.360 8.251 0.109 18547 17450 1 18 . 1 1 80 80 ALA N N 70 127.200 127.200 118.899 8.301 18547 17451 1 18 . 1 1 80 80 ALA HA H 70 4.170 4.170 4.255 -0.085 18547 17452 1 18 . 1 1 80 80 ALA C C 70 174.500 174.500 174.408 0.092 18547 17453 1 18 . 1 1 80 80 ALA CA C 70 52.500 52.500 51.435 1.065 18547 17454 1 18 . 1 1 80 80 ALA CB C 70 18.600 18.600 20.446 -1.846 18547 17455 1 18 . 1 1 80 80 ALA H H 70 8.930 8.930 7.571 1.359 18547 17456 1 18 . 1 1 81 81 SER N N 71 111.000 111.000 113.467 -2.467 18547 17457 1 18 . 1 1 81 81 SER HA H 71 4.170 4.170 4.458 -0.288 18547 17458 1 18 . 1 1 81 81 SER C C 71 170.900 170.900 172.868 -1.968 18547 17459 1 18 . 1 1 81 81 SER CA C 71 56.300 56.300 56.470 -0.170 18547 17460 1 18 . 1 1 81 81 SER CB C 71 66.600 66.600 65.062 1.538 18547 17461 1 18 . 1 1 81 81 SER H H 71 7.980 7.980 7.936 0.044 18547 17462 1 18 . 1 1 82 82 GLY N N 72 102.700 102.700 110.115 -7.415 18547 17463 1 18 . 1 1 82 82 GLY C C 72 171.700 171.700 171.480 0.220 18547 17464 1 18 . 1 1 82 82 GLY CA C 72 46.200 46.200 44.924 1.276 18547 17465 1 18 . 1 1 82 82 GLY H H 72 6.940 6.940 7.204 -0.264 18547 17466 1 18 . 1 1 83 83 ASP N N 73 117.900 117.900 118.289 -0.389 18547 17467 1 18 . 1 1 83 83 ASP HA H 73 5.430 5.430 4.769 0.661 18547 17468 1 18 . 1 1 83 83 ASP C C 73 176.100 176.100 175.783 0.317 18547 17469 1 18 . 1 1 83 83 ASP CA C 73 52.700 52.700 51.882 0.818 18547 17470 1 18 . 1 1 83 83 ASP CB C 73 43.600 43.600 43.414 0.186 18547 17471 1 18 . 1 1 83 83 ASP H H 73 8.770 8.770 8.250 0.520 18547 17472 1 18 . 1 1 84 84 ILE N N 74 120.200 120.200 119.645 0.555 18547 17473 1 18 . 1 1 84 84 ILE HA H 74 4.530 4.530 4.375 0.155 18547 17474 1 18 . 1 1 84 84 ILE C C 74 175.600 175.600 176.686 -1.086 18547 17475 1 18 . 1 1 84 84 ILE CA C 74 61.700 61.700 60.551 1.149 18547 17476 1 18 . 1 1 84 84 ILE CB C 74 36.700 36.700 36.678 0.022 18547 17477 1 18 . 1 1 84 84 ILE H H 74 8.060 8.060 7.994 0.066 18547 17478 1 18 . 1 1 85 85 LEU N N 75 130.400 130.400 128.707 1.693 18547 17479 1 18 . 1 1 85 85 LEU HA H 75 4.330 4.330 4.272 0.058 18547 17480 1 18 . 1 1 85 85 LEU C C 75 178.100 178.100 177.569 0.531 18547 17481 1 18 . 1 1 85 85 LEU CA C 75 57.000 57.000 56.970 0.030 18547 17482 1 18 . 1 1 85 85 LEU CB C 75 42.000 42.000 42.503 -0.503 18547 17483 1 18 . 1 1 85 85 LEU H H 75 8.710 8.710 8.250 0.460 18547 17484 1 18 . 1 1 86 86 ARG N N 76 115.700 115.700 118.204 -2.504 18547 17485 1 18 . 1 1 86 86 ARG HA H 76 4.840 4.840 4.892 -0.052 18547 17486 1 18 . 1 1 86 86 ARG C C 76 174.900 174.900 174.156 0.744 18547 17487 1 18 . 1 1 86 86 ARG CA C 76 54.700 54.700 55.058 -0.358 18547 17488 1 18 . 1 1 86 86 ARG CB C 76 33.900 33.900 33.523 0.377 18547 17489 1 18 . 1 1 86 86 ARG H H 76 8.130 8.130 8.327 -0.197 18547 17490 1 18 . 1 1 87 87 CYS N N 77 127.100 127.100 124.008 3.092 18547 17491 1 18 . 1 1 87 87 CYS HA H 77 5.130 5.130 4.986 0.144 18547 17492 1 18 . 1 1 87 87 CYS C C 77 171.700 171.700 174.425 -2.725 18547 17493 1 18 . 1 1 87 87 CYS CA C 77 54.600 54.600 56.509 -1.909 18547 17494 1 18 . 1 1 87 87 CYS CB C 77 33.000 33.000 29.828 3.172 18547 17495 1 18 . 1 1 87 87 CYS H H 77 10.630 10.630 9.237 1.393 18547 17496 1 18 . 1 1 88 88 GLU N N 78 128.200 128.200 125.516 2.684 18547 17497 1 18 . 1 1 88 88 GLU HA H 78 4.950 4.950 4.853 0.097 18547 17498 1 18 . 1 1 88 88 GLU CA C 78 52.100 52.100 52.725 -0.625 18547 17499 1 18 . 1 1 88 88 GLU CB C 78 30.500 30.500 30.753 -0.253 18547 17500 1 18 . 1 1 88 88 GLU H H 78 9.460 9.460 9.080 0.380 18547 17501 1 18 . 1 1 89 89 PRO HA H 79 2.780 2.780 3.987 -1.207 18547 17502 1 18 . 1 1 89 89 PRO CA C 79 60.500 60.500 60.957 -0.457 18547 17503 1 18 . 1 1 89 89 PRO CB C 79 31.600 31.600 31.304 0.296 18547 17504 1 18 . 1 1 90 90 PRO HA H 80 2.250 2.250 3.204 -0.954 18547 17505 1 18 . 1 1 90 90 PRO C C 80 171.400 171.400 176.307 -4.907 18547 17506 1 18 . 1 1 90 90 PRO CA C 80 63.700 63.700 61.576 2.124 18547 17507 1 18 . 1 1 90 90 PRO CB C 80 30.500 30.500 31.685 -1.185 18547 17508 1 18 . 1 1 91 91 ARG N N 81 113.700 113.700 117.883 -4.183 18547 17509 1 18 . 1 1 91 91 ARG HA H 81 4.700 4.700 4.293 0.407 18547 17510 1 18 . 1 1 91 91 ARG C C 81 176.500 176.500 176.207 0.293 18547 17511 1 18 . 1 1 91 91 ARG CA C 81 57.400 57.400 58.512 -1.112 18547 17512 1 18 . 1 1 91 91 ARG CB C 81 34.200 34.200 31.550 2.650 18547 17513 1 18 . 1 1 91 91 ARG H H 81 7.640 7.640 7.756 -0.116 18547 17514 1 18 . 1 1 92 92 ARG N N 82 121.000 121.000 115.017 5.983 18547 17515 1 18 . 1 1 92 92 ARG HA H 82 5.700 5.700 5.690 0.010 18547 17516 1 18 . 1 1 92 92 ARG C C 82 172.700 172.700 173.946 -1.246 18547 17517 1 18 . 1 1 92 92 ARG CA C 82 55.900 55.900 54.875 1.025 18547 17518 1 18 . 1 1 92 92 ARG CB C 82 34.100 34.100 34.526 -0.426 18547 17519 1 18 . 1 1 92 92 ARG H H 82 7.710 7.710 8.135 -0.425 18547 17520 1 18 . 1 1 93 93 LEU N N 83 130.800 130.800 116.638 14.162 18547 17521 1 18 . 1 1 93 93 LEU HA H 83 5.250 5.250 5.097 0.153 18547 17522 1 18 . 1 1 93 93 LEU C C 83 174.000 174.000 174.999 -0.999 18547 17523 1 18 . 1 1 93 93 LEU CA C 83 53.700 53.700 54.521 -0.821 18547 17524 1 18 . 1 1 93 93 LEU CB C 83 47.100 47.100 45.308 1.792 18547 17525 1 18 . 1 1 93 93 LEU H H 83 9.080 9.080 8.824 0.256 18547 17526 1 18 . 1 1 94 94 THR N N 84 124.200 124.200 119.228 4.972 18547 17527 1 18 . 1 1 94 94 THR HA H 84 5.340 5.340 5.113 0.227 18547 17528 1 18 . 1 1 94 94 THR C C 84 174.100 174.100 174.092 0.008 18547 17529 1 18 . 1 1 94 94 THR CA C 84 62.700 62.700 61.941 0.759 18547 17530 1 18 . 1 1 94 94 THR CB C 84 69.600 69.600 69.452 0.148 18547 17531 1 18 . 1 1 94 94 THR H H 84 9.310 9.310 8.467 0.843 18547 17532 1 18 . 1 1 95 95 ILE N N 85 121.600 121.600 123.278 -1.678 18547 17533 1 18 . 1 1 95 95 ILE HA H 85 5.630 5.630 4.864 0.766 18547 17534 1 18 . 1 1 95 95 ILE C C 85 175.000 175.000 174.490 0.510 18547 17535 1 18 . 1 1 95 95 ILE CA C 85 59.300 59.300 58.648 0.652 18547 17536 1 18 . 1 1 95 95 ILE CB C 85 40.900 40.900 40.765 0.135 18547 17537 1 18 . 1 1 95 95 ILE H H 85 9.700 9.700 8.978 0.722 18547 17538 1 18 . 1 1 96 96 SER N N 86 117.900 117.900 114.523 3.377 18547 17539 1 18 . 1 1 96 96 SER HA H 86 5.270 5.270 5.072 0.198 18547 17540 1 18 . 1 1 96 96 SER C C 86 172.200 172.200 174.044 -1.844 18547 17541 1 18 . 1 1 96 96 SER CA C 86 57.600 57.600 57.406 0.194 18547 17542 1 18 . 1 1 96 96 SER CB C 86 65.700 65.700 66.273 -0.573 18547 17543 1 18 . 1 1 96 96 SER H H 86 9.290 9.290 8.662 0.628 18547 17544 1 18 . 1 1 97 97 TRP N N 87 120.000 120.000 121.894 -1.894 18547 17545 1 18 . 1 1 97 97 TRP HA H 87 5.130 5.130 4.994 0.136 18547 17546 1 18 . 1 1 97 97 TRP C C 87 175.500 175.500 173.235 2.265 18547 17547 1 18 . 1 1 97 97 TRP CA C 87 57.900 57.900 57.833 0.067 18547 17548 1 18 . 1 1 97 97 TRP CB C 87 31.500 31.500 32.206 -0.706 18547 17549 1 18 . 1 1 97 97 TRP H H 87 7.790 7.790 8.695 -0.905 18547 17550 1 18 . 1 1 98 98 VAL N N 88 132.200 132.200 129.355 2.845 18547 17551 1 18 . 1 1 98 98 VAL HA H 88 4.460 4.460 4.509 -0.049 18547 17552 1 18 . 1 1 98 98 VAL C C 88 175.100 175.100 174.257 0.843 18547 17553 1 18 . 1 1 98 98 VAL CA C 88 62.000 62.000 61.440 0.560 18547 17554 1 18 . 1 1 98 98 VAL CB C 88 32.500 32.500 32.576 -0.076 18547 17555 1 18 . 1 1 98 98 VAL H H 88 9.620 9.620 8.487 1.133 18547 17556 1 18 . 1 1 99 99 TYR N N 89 130.300 130.300 128.634 1.666 18547 17557 1 18 . 1 1 99 99 TYR HA H 89 4.440 4.440 4.668 -0.228 18547 17558 1 18 . 1 1 99 99 TYR C C 89 173.900 173.900 175.555 -1.655 18547 17559 1 18 . 1 1 99 99 TYR CA C 89 56.800 56.800 56.986 -0.186 18547 17560 1 18 . 1 1 99 99 TYR CB C 89 42.100 42.100 42.428 -0.328 18547 17561 1 18 . 1 1 99 99 TYR H H 89 9.670 9.670 8.374 1.296 18547 17562 1 18 . 1 1 100 100 GLU N N 90 127.100 127.100 124.045 3.055 18547 17563 1 18 . 1 1 100 100 GLU HA H 90 3.940 3.940 3.814 0.126 18547 17564 1 18 . 1 1 100 100 GLU C C 90 176.700 176.700 176.976 -0.276 18547 17565 1 18 . 1 1 100 100 GLU CA C 90 58.300 58.300 58.791 -0.491 18547 17566 1 18 . 1 1 100 100 GLU CB C 90 29.200 29.200 29.010 0.190 18547 17567 1 18 . 1 1 100 100 GLU H H 90 8.080 8.080 8.271 -0.191 18547 17568 1 18 . 1 1 101 101 GLY N N 91 113.100 113.100 106.332 6.768 18547 17569 1 18 . 1 1 101 101 GLY C C 91 173.900 173.900 174.109 -0.209 18547 17570 1 18 . 1 1 101 101 GLY CA C 91 45.200 45.200 44.616 0.584 18547 17571 1 18 . 1 1 101 101 GLY H H 91 8.850 8.850 8.537 0.313 18547 17572 1 18 . 1 1 102 102 LYS N N 92 120.100 120.100 121.747 -1.647 18547 17573 1 18 . 1 1 102 102 LYS HA H 92 4.990 4.990 4.889 0.101 18547 17574 1 18 . 1 1 102 102 LYS CA C 92 52.500 52.500 52.526 -0.026 18547 17575 1 18 . 1 1 102 102 LYS CB C 92 33.200 33.200 32.141 1.060 18547 17576 1 18 . 1 1 102 102 LYS H H 92 8.270 8.270 7.416 0.854 18547 17577 1 18 . 1 1 103 103 PRO HA H 93 4.620 4.620 4.391 0.229 18547 17578 1 18 . 1 1 103 103 PRO C C 93 176.700 176.700 176.732 -0.032 18547 17579 1 18 . 1 1 103 103 PRO CA C 93 62.400 62.400 64.329 -1.929 18547 17580 1 18 . 1 1 103 103 PRO CB C 93 31.400 31.400 32.161 -0.761 18547 17581 1 18 . 1 1 104 104 ASP N N 94 124.500 124.500 117.211 7.289 18547 17582 1 18 . 1 1 104 104 ASP HA H 94 4.860 4.860 4.776 0.084 18547 17583 1 18 . 1 1 104 104 ASP C C 94 177.100 177.100 174.176 2.924 18547 17584 1 18 . 1 1 104 104 ASP CA C 94 55.900 55.900 54.084 1.815 18547 17585 1 18 . 1 1 104 104 ASP CB C 94 40.500 40.500 42.884 -2.384 18547 17586 1 18 . 1 1 104 104 ASP H H 94 8.850 8.850 8.166 0.684 18547 17587 1 18 . 1 1 105 105 SER N N 95 118.600 118.600 117.843 0.757 18547 17588 1 18 . 1 1 105 105 SER HA H 95 5.280 5.280 4.915 0.365 18547 17589 1 18 . 1 1 105 105 SER C C 95 173.700 173.700 172.138 1.562 18547 17590 1 18 . 1 1 105 105 SER CA C 95 57.900 57.900 57.192 0.708 18547 17591 1 18 . 1 1 105 105 SER CB C 95 65.600 65.600 67.526 -1.926 18547 17592 1 18 . 1 1 105 105 SER H H 95 9.260 9.260 8.484 0.776 18547 17593 1 18 . 1 1 106 106 GLU N N 96 124.100 124.100 122.225 1.875 18547 17594 1 18 . 1 1 106 106 GLU HA H 96 5.180 5.180 4.920 0.260 18547 17595 1 18 . 1 1 106 106 GLU C C 96 172.400 172.400 174.464 -2.064 18547 17596 1 18 . 1 1 106 106 GLU CA C 96 57.200 57.200 55.514 1.687 18547 17597 1 18 . 1 1 106 106 GLU CB C 96 36.100 36.100 33.067 3.033 18547 17598 1 18 . 1 1 106 106 GLU H H 96 8.620 8.620 8.675 -0.055 18547 17599 1 18 . 1 1 107 107 VAL N N 97 128.100 128.100 126.445 1.655 18547 17600 1 18 . 1 1 107 107 VAL HA H 97 4.770 4.770 4.599 0.171 18547 17601 1 18 . 1 1 107 107 VAL C C 97 173.100 173.100 174.805 -1.705 18547 17602 1 18 . 1 1 107 107 VAL CA C 97 60.100 60.100 60.858 -0.758 18547 17603 1 18 . 1 1 107 107 VAL CB C 97 34.200 34.200 34.237 -0.037 18547 17604 1 18 . 1 1 107 107 VAL H H 97 9.180 9.180 8.448 0.732 18547 17605 1 18 . 1 1 108 108 GLU N N 98 126.200 126.200 122.499 3.701 18547 17606 1 18 . 1 1 108 108 GLU HA H 98 5.580 5.580 5.399 0.181 18547 17607 1 18 . 1 1 108 108 GLU C C 98 172.100 172.100 174.767 -2.667 18547 17608 1 18 . 1 1 108 108 GLU CA C 98 54.200 54.200 54.074 0.126 18547 17609 1 18 . 1 1 108 108 GLU CB C 98 35.200 35.200 34.151 1.049 18547 17610 1 18 . 1 1 108 108 GLU H H 98 9.300 9.300 8.782 0.518 18547 17611 1 18 . 1 1 109 109 LEU N N 99 128.600 128.600 122.889 5.711 18547 17612 1 18 . 1 1 109 109 LEU HA H 99 5.080 5.080 4.945 0.135 18547 17613 1 18 . 1 1 109 109 LEU C C 99 175.100 175.100 174.421 0.679 18547 17614 1 18 . 1 1 109 109 LEU CA C 99 52.700 52.700 54.194 -1.494 18547 17615 1 18 . 1 1 109 109 LEU CB C 99 46.400 46.400 45.702 0.698 18547 17616 1 18 . 1 1 109 109 LEU H H 99 9.330 9.330 8.738 0.592 18547 17617 1 18 . 1 1 110 110 ARG N N 100 124.700 124.700 126.564 -1.864 18547 17618 1 18 . 1 1 110 110 ARG HA H 100 5.390 5.390 5.005 0.385 18547 17619 1 18 . 1 1 110 110 ARG C C 100 175.400 175.400 174.986 0.414 18547 17620 1 18 . 1 1 110 110 ARG CA C 100 54.600 54.600 54.587 0.013 18547 17621 1 18 . 1 1 110 110 ARG CB C 100 34.100 34.100 32.022 2.078 18547 17622 1 18 . 1 1 110 110 ARG H H 100 9.430 9.430 8.642 0.788 18547 17623 1 18 . 1 1 111 111 LEU N N 101 122.900 122.900 126.673 -3.773 18547 17624 1 18 . 1 1 111 111 LEU HA H 101 5.620 5.620 5.682 -0.062 18547 17625 1 18 . 1 1 111 111 LEU C C 101 177.100 177.100 175.991 1.109 18547 17626 1 18 . 1 1 111 111 LEU CA C 101 53.000 53.000 53.593 -0.593 18547 17627 1 18 . 1 1 111 111 LEU CB C 101 44.900 44.900 44.321 0.579 18547 17628 1 18 . 1 1 111 111 LEU H H 101 9.120 9.120 8.722 0.398 18547 17629 1 18 . 1 1 112 112 SER N N 102 113.800 113.800 117.394 -3.594 18547 17630 1 18 . 1 1 112 112 SER HA H 102 4.690 4.690 4.603 0.087 18547 17631 1 18 . 1 1 112 112 SER C C 102 172.700 172.700 172.712 -0.012 18547 17632 1 18 . 1 1 112 112 SER CA C 102 57.000 57.000 57.279 -0.279 18547 17633 1 18 . 1 1 112 112 SER CB C 102 65.700 65.700 65.858 -0.158 18547 17634 1 18 . 1 1 112 112 SER H H 102 8.770 8.770 8.380 0.390 18547 17635 1 18 . 1 1 113 113 GLU N N 103 123.400 123.400 125.960 -2.560 18547 17636 1 18 . 1 1 113 113 GLU HA H 103 4.440 4.440 4.470 -0.030 18547 17637 1 18 . 1 1 113 113 GLU C C 103 176.600 176.600 176.443 0.157 18547 17638 1 18 . 1 1 113 113 GLU CA C 103 57.500 57.500 56.895 0.605 18547 17639 1 18 . 1 1 113 113 GLU CB C 103 30.200 30.200 30.375 -0.175 18547 17640 1 18 . 1 1 113 113 GLU H H 103 9.200 9.200 8.658 0.542 18547 17641 1 18 . 1 1 114 114 GLU N N 104 126.500 126.500 124.226 2.274 18547 17642 1 18 . 1 1 114 114 GLU HA H 104 4.450 4.450 4.661 -0.211 18547 17643 1 18 . 1 1 114 114 GLU C C 104 175.600 175.600 175.988 -0.388 18547 17644 1 18 . 1 1 114 114 GLU CA C 104 55.700 55.700 55.829 -0.129 18547 17645 1 18 . 1 1 114 114 GLU CB C 104 31.300 31.300 31.814 -0.514 18547 17646 1 18 . 1 1 114 114 GLU H H 104 8.110 8.110 8.437 -0.327 18547 17647 1 18 . 1 1 115 115 GLY N N 105 118.000 118.000 115.665 2.335 18547 17648 1 18 . 1 1 115 115 GLY C C 105 174.700 174.700 174.046 0.654 18547 17649 1 18 . 1 1 115 115 GLY CA C 105 47.100 47.100 47.328 -0.228 18547 17650 1 18 . 1 1 115 115 GLY H H 105 9.030 9.030 8.875 0.155 18547 17651 1 18 . 1 1 116 116 ASP N N 106 126.200 126.200 124.532 1.668 18547 17652 1 18 . 1 1 116 116 ASP HA H 106 4.750 4.750 4.771 -0.021 18547 17653 1 18 . 1 1 116 116 ASP C C 106 175.600 175.600 176.196 -0.596 18547 17654 1 18 . 1 1 116 116 ASP CA C 106 54.300 54.300 53.182 1.118 18547 17655 1 18 . 1 1 116 116 ASP CB C 106 40.800 40.800 41.878 -1.078 18547 17656 1 18 . 1 1 116 116 ASP H H 106 8.800 8.800 8.473 0.327 18547 17657 1 18 . 1 1 117 117 GLY N N 107 109.500 109.500 107.947 1.553 18547 17658 1 18 . 1 1 117 117 GLY C C 107 174.400 174.400 173.003 1.397 18547 17659 1 18 . 1 1 117 117 GLY CA C 107 44.800 44.800 43.929 0.871 18547 17660 1 18 . 1 1 117 117 GLY H H 107 8.040 8.040 7.838 0.202 18547 17661 1 18 . 1 1 118 118 THR N N 108 120.400 120.400 115.044 5.356 18547 17662 1 18 . 1 1 118 118 THR HA H 108 4.970 4.970 4.810 0.160 18547 17663 1 18 . 1 1 118 118 THR C C 108 173.000 173.000 172.700 0.300 18547 17664 1 18 . 1 1 118 118 THR CA C 108 63.500 63.500 62.081 1.419 18547 17665 1 18 . 1 1 118 118 THR CB C 108 73.000 73.000 72.442 0.558 18547 17666 1 18 . 1 1 118 118 THR H H 108 9.010 9.010 8.497 0.513 18547 17667 1 18 . 1 1 119 119 LEU N N 109 129.000 129.000 128.209 0.791 18547 17668 1 18 . 1 1 119 119 LEU HA H 109 4.790 4.790 4.922 -0.132 18547 17669 1 18 . 1 1 119 119 LEU C C 109 173.500 173.500 174.345 -0.845 18547 17670 1 18 . 1 1 119 119 LEU CA C 109 54.300 54.300 54.341 -0.041 18547 17671 1 18 . 1 1 119 119 LEU CB C 109 42.900 42.900 43.569 -0.669 18547 17672 1 18 . 1 1 119 119 LEU H H 109 9.410 9.410 8.781 0.628 18547 17673 1 18 . 1 1 120 120 LEU N N 110 132.200 132.200 129.342 2.858 18547 17674 1 18 . 1 1 120 120 LEU HA H 110 4.820 4.820 5.104 -0.284 18547 17675 1 18 . 1 1 120 120 LEU C C 110 174.100 174.100 174.828 -0.728 18547 17676 1 18 . 1 1 120 120 LEU CA C 110 54.900 54.900 53.553 1.347 18547 17677 1 18 . 1 1 120 120 LEU CB C 110 45.300 45.300 44.251 1.049 18547 17678 1 18 . 1 1 120 120 LEU H H 110 9.430 9.430 9.107 0.323 18547 17679 1 18 . 1 1 121 121 GLU N N 111 125.800 125.800 126.609 -0.809 18547 17680 1 18 . 1 1 121 121 GLU HA H 111 5.530 5.530 5.054 0.476 18547 17681 1 18 . 1 1 121 121 GLU C C 111 173.500 173.500 175.149 -1.649 18547 17682 1 18 . 1 1 121 121 GLU CA C 111 54.500 54.500 54.536 -0.036 18547 17683 1 18 . 1 1 121 121 GLU CB C 111 33.100 33.100 31.352 1.748 18547 17684 1 18 . 1 1 121 121 GLU H H 111 8.970 8.970 8.806 0.164 18547 17685 1 18 . 1 1 122 122 LEU N N 112 127.300 127.300 128.460 -1.160 18547 17686 1 18 . 1 1 122 122 LEU HA H 112 5.030 5.030 4.807 0.223 18547 17687 1 18 . 1 1 122 122 LEU C C 112 173.700 173.700 174.827 -1.127 18547 17688 1 18 . 1 1 122 122 LEU CA C 112 53.200 53.200 53.559 -0.360 18547 17689 1 18 . 1 1 122 122 LEU CB C 112 45.400 45.400 43.469 1.931 18547 17690 1 18 . 1 1 122 122 LEU H H 112 8.950 8.950 8.202 0.748 18547 17691 1 18 . 1 1 123 123 GLU N N 113 127.900 127.900 128.719 -0.819 18547 17692 1 18 . 1 1 123 123 GLU HA H 113 5.750 5.750 4.925 0.825 18547 17693 1 18 . 1 1 123 123 GLU C C 113 174.200 174.200 174.630 -0.430 18547 17694 1 18 . 1 1 123 123 GLU CA C 113 52.900 52.900 54.327 -1.427 18547 17695 1 18 . 1 1 123 123 GLU CB C 113 33.300 33.300 31.993 1.307 18547 17696 1 18 . 1 1 123 123 GLU H H 113 9.350 9.350 8.134 1.216 18547 17697 1 18 . 1 1 124 124 HIS N N 114 128.200 128.200 127.108 1.092 18547 17698 1 18 . 1 1 124 124 HIS HA H 114 5.240 5.240 4.619 0.621 18547 17699 1 18 . 1 1 124 124 HIS C C 114 173.900 173.900 173.045 0.855 18547 17700 1 18 . 1 1 124 124 HIS CA C 114 54.300 54.300 54.288 0.012 18547 17701 1 18 . 1 1 124 124 HIS CB C 114 34.600 34.600 32.103 2.497 18547 17702 1 18 . 1 1 124 124 HIS H H 114 8.770 8.770 8.234 0.536 18547 17703 1 18 . 1 1 125 125 ALA N N 115 128.600 128.600 130.903 -2.303 18547 17704 1 18 . 1 1 125 125 ALA HA H 115 5.150 5.150 5.429 -0.279 18547 17705 1 18 . 1 1 125 125 ALA C C 115 175.400 175.400 175.738 -0.338 18547 17706 1 18 . 1 1 125 125 ALA CA C 115 50.100 50.100 50.353 -0.254 18547 17707 1 18 . 1 1 125 125 ALA CB C 115 22.500 22.500 21.133 1.367 18547 17708 1 18 . 1 1 125 125 ALA H H 115 9.360 9.360 8.332 1.028 18547 17709 1 18 . 1 1 126 126 THR N N 116 115.800 115.800 118.567 -2.767 18547 17710 1 18 . 1 1 126 126 THR HA H 116 4.960 4.960 4.878 0.082 18547 17711 1 18 . 1 1 126 126 THR C C 116 172.200 172.200 175.257 -3.057 18547 17712 1 18 . 1 1 126 126 THR CA C 116 58.800 58.800 59.566 -0.765 18547 17713 1 18 . 1 1 126 126 THR CB C 116 69.200 69.200 70.730 -1.530 18547 17714 1 18 . 1 1 126 126 THR H H 116 8.760 8.760 8.294 0.466 18547 17715 1 18 . 1 1 127 127 THR N N 117 116.000 116.000 115.519 0.481 18547 17716 1 18 . 1 1 127 127 THR HA H 117 4.390 4.390 4.422 -0.032 18547 17717 1 18 . 1 1 127 127 THR C C 117 174.400 174.400 174.793 -0.393 18547 17718 1 18 . 1 1 127 127 THR CA C 117 62.900 62.900 62.388 0.512 18547 17719 1 18 . 1 1 127 127 THR CB C 117 68.800 68.800 69.063 -0.263 18547 17720 1 18 . 1 1 127 127 THR H H 117 8.460 8.460 8.889 -0.429 18547 17721 1 18 . 1 1 128 128 SER N N 118 116.400 116.400 116.765 -0.365 18547 17722 1 18 . 1 1 128 128 SER HA H 118 4.890 4.890 4.614 0.276 18547 17723 1 18 . 1 1 128 128 SER C C 118 174.700 174.700 174.611 0.089 18547 17724 1 18 . 1 1 128 128 SER CA C 118 55.400 55.400 55.790 -0.390 18547 17725 1 18 . 1 1 128 128 SER CB C 118 63.000 63.000 64.961 -1.961 18547 17726 1 18 . 1 1 128 128 SER H H 118 7.730 7.730 7.476 0.254 18547 17727 1 18 . 1 1 129 129 GLU N N 119 130.300 130.300 129.023 1.277 18547 17728 1 18 . 1 1 129 129 GLU HA H 119 3.940 3.940 3.952 -0.012 18547 17729 1 18 . 1 1 129 129 GLU C C 119 178.400 178.400 177.952 0.448 18547 17730 1 18 . 1 1 129 129 GLU CA C 119 59.900 59.900 59.727 0.173 18547 17731 1 18 . 1 1 129 129 GLU CB C 119 29.700 29.700 29.649 0.051 18547 17732 1 18 . 1 1 129 129 GLU H H 119 9.000 9.000 9.135 -0.135 18547 17733 1 18 . 1 1 130 130 GLN N N 120 117.300 117.300 119.624 -2.324 18547 17734 1 18 . 1 1 130 130 GLN HA H 120 4.120 4.120 4.018 0.102 18547 17735 1 18 . 1 1 130 130 GLN C C 120 177.900 177.900 177.807 0.093 18547 17736 1 18 . 1 1 130 130 GLN CA C 120 58.400 58.400 58.809 -0.409 18547 17737 1 18 . 1 1 130 130 GLN CB C 120 28.000 28.000 28.426 -0.426 18547 17738 1 18 . 1 1 130 130 GLN H H 120 8.410 8.410 8.325 0.085 18547 17739 1 18 . 1 1 131 131 MET N N 121 118.300 118.300 119.869 -1.569 18547 17740 1 18 . 1 1 131 131 MET HA H 121 4.240 4.240 3.933 0.307 18547 17741 1 18 . 1 1 131 131 MET C C 121 176.400 176.400 178.301 -1.901 18547 17742 1 18 . 1 1 131 131 MET CA C 121 57.300 57.300 58.621 -1.321 18547 17743 1 18 . 1 1 131 131 MET CB C 121 32.400 32.400 32.441 -0.042 18547 17744 1 18 . 1 1 131 131 MET H H 121 7.640 7.640 7.558 0.082 18547 17745 1 18 . 1 1 132 132 LEU N N 122 118.700 118.700 119.071 -0.371 18547 17746 1 18 . 1 1 132 132 LEU HA H 122 3.630 3.630 3.781 -0.151 18547 17747 1 18 . 1 1 132 132 LEU C C 122 177.100 177.100 179.292 -2.192 18547 17748 1 18 . 1 1 132 132 LEU CA C 122 58.300 58.300 57.887 0.413 18547 17749 1 18 . 1 1 132 132 LEU CB C 122 41.900 41.900 41.728 0.172 18547 17750 1 18 . 1 1 132 132 LEU H H 122 7.470 7.470 7.830 -0.360 18547 17751 1 18 . 1 1 133 133 VAL N N 123 114.600 114.600 118.467 -3.867 18547 17752 1 18 . 1 1 133 133 VAL HA H 123 3.360 3.360 3.560 -0.200 18547 17753 1 18 . 1 1 133 133 VAL C C 123 176.700 176.700 178.117 -1.417 18547 17754 1 18 . 1 1 133 133 VAL CA C 123 66.600 66.600 66.752 -0.152 18547 17755 1 18 . 1 1 133 133 VAL CB C 123 31.800 31.800 31.585 0.215 18547 17756 1 18 . 1 1 133 133 VAL H H 123 7.040 7.040 7.479 -0.439 18547 17757 1 18 . 1 1 134 134 GLU N N 124 116.700 116.700 119.629 -2.929 18547 17758 1 18 . 1 1 134 134 GLU HA H 124 3.900 3.900 3.914 -0.014 18547 17759 1 18 . 1 1 134 134 GLU C C 124 180.700 180.700 178.948 1.752 18547 17760 1 18 . 1 1 134 134 GLU CA C 124 59.300 59.300 59.005 0.295 18547 17761 1 18 . 1 1 134 134 GLU CB C 124 29.900 29.900 29.446 0.454 18547 17762 1 18 . 1 1 134 134 GLU H H 124 7.200 7.200 7.937 -0.737 18547 17763 1 18 . 1 1 135 135 VAL N N 125 114.700 114.700 114.607 0.093 18547 17764 1 18 . 1 1 135 135 VAL HA H 125 3.930 3.930 3.850 0.080 18547 17765 1 18 . 1 1 135 135 VAL C C 125 177.900 177.900 177.720 0.180 18547 17766 1 18 . 1 1 135 135 VAL CA C 125 63.800 63.800 64.770 -0.970 18547 17767 1 18 . 1 1 135 135 VAL CB C 125 30.400 30.400 30.821 -0.421 18547 17768 1 18 . 1 1 135 135 VAL H H 125 8.620 8.620 8.125 0.495 18547 17769 1 18 . 1 1 136 136 GLY N N 126 112.200 112.200 108.925 3.275 18547 17770 1 18 . 1 1 136 136 GLY C C 126 174.800 174.800 175.170 -0.370 18547 17771 1 18 . 1 1 136 136 GLY CA C 126 47.200 47.200 46.394 0.806 18547 17772 1 18 . 1 1 136 136 GLY H H 126 7.750 7.750 7.742 0.008 18547 17773 1 18 . 1 1 137 137 VAL N N 127 119.100 119.100 121.971 -2.871 18547 17774 1 18 . 1 1 137 137 VAL HA H 127 3.510 3.510 3.769 -0.259 18547 17775 1 18 . 1 1 137 137 VAL C C 127 179.100 179.100 178.113 0.987 18547 17776 1 18 . 1 1 137 137 VAL CA C 127 67.400 67.400 65.049 2.351 18547 17777 1 18 . 1 1 137 137 VAL CB C 127 32.500 32.500 31.752 0.748 18547 17778 1 18 . 1 1 137 137 VAL H H 127 7.680 7.680 7.195 0.485 18547 17779 1 18 . 1 1 138 138 GLY N N 128 106.300 106.300 107.938 -1.638 18547 17780 1 18 . 1 1 138 138 GLY C C 128 177.900 177.900 175.712 2.188 18547 17781 1 18 . 1 1 138 138 GLY CA C 128 47.300 47.300 47.146 0.154 18547 17782 1 18 . 1 1 138 138 GLY H H 128 8.210 8.210 8.056 0.154 18547 17783 1 18 . 1 1 139 139 TRP N N 129 122.500 122.500 121.597 0.903 18547 17784 1 18 . 1 1 139 139 TRP HA H 129 4.890 4.890 4.316 0.574 18547 17785 1 18 . 1 1 139 139 TRP C C 129 179.100 179.100 178.232 0.868 18547 17786 1 18 . 1 1 139 139 TRP CA C 129 59.800 59.800 59.929 -0.130 18547 17787 1 18 . 1 1 139 139 TRP CB C 129 30.100 30.100 29.413 0.687 18547 17788 1 18 . 1 1 139 139 TRP H H 129 8.880 8.880 7.793 1.087 18547 17789 1 18 . 1 1 140 140 GLU N N 130 119.000 119.000 119.936 -0.936 18547 17790 1 18 . 1 1 140 140 GLU HA H 130 4.020 4.020 4.020 -0.000 18547 17791 1 18 . 1 1 140 140 GLU C C 130 179.300 179.300 179.155 0.145 18547 17792 1 18 . 1 1 140 140 GLU CA C 130 62.900 62.900 59.402 3.498 18547 17793 1 18 . 1 1 140 140 GLU CB C 130 30.600 30.600 29.407 1.193 18547 17794 1 18 . 1 1 140 140 GLU H H 130 8.210 8.210 7.699 0.511 18547 17795 1 18 . 1 1 141 141 MET N N 131 117.100 117.100 118.060 -0.960 18547 17796 1 18 . 1 1 141 141 MET HA H 131 4.330 4.330 4.030 0.300 18547 17797 1 18 . 1 1 141 141 MET C C 131 178.500 178.500 178.284 0.216 18547 17798 1 18 . 1 1 141 141 MET CA C 131 57.700 57.700 58.620 -0.920 18547 17799 1 18 . 1 1 141 141 MET CB C 131 30.600 30.600 32.589 -1.988 18547 17800 1 18 . 1 1 141 141 MET H H 131 8.210 8.210 7.938 0.272 18547 17801 1 18 . 1 1 142 142 ALA N N 132 121.400 121.400 124.582 -3.182 18547 17802 1 18 . 1 1 142 142 ALA HA H 132 4.720 4.720 4.688 0.032 18547 17803 1 18 . 1 1 142 142 ALA C C 132 180.900 180.900 180.148 0.752 18547 17804 1 18 . 1 1 142 142 ALA CA C 132 55.700 55.700 55.427 0.273 18547 17805 1 18 . 1 1 142 142 ALA CB C 132 18.200 18.200 18.774 -0.574 18547 17806 1 18 . 1 1 142 142 ALA H H 132 7.910 7.910 8.114 -0.204 18547 17807 1 18 . 1 1 143 143 LEU N N 133 117.200 117.200 117.903 -0.703 18547 17808 1 18 . 1 1 143 143 LEU HA H 133 4.150 4.150 4.115 0.035 18547 17809 1 18 . 1 1 143 143 LEU C C 133 180.300 180.300 179.099 1.201 18547 17810 1 18 . 1 1 143 143 LEU CA C 133 57.300 57.300 56.915 0.385 18547 17811 1 18 . 1 1 143 143 LEU CB C 133 40.600 40.600 40.174 0.426 18547 17812 1 18 . 1 1 143 143 LEU H H 133 9.190 9.190 8.581 0.609 18547 17813 1 18 . 1 1 144 144 ASP N N 134 122.600 122.600 120.745 1.855 18547 17814 1 18 . 1 1 144 144 ASP HA H 134 4.580 4.580 4.319 0.261 18547 17815 1 18 . 1 1 144 144 ASP C C 134 179.900 179.900 178.624 1.276 18547 17816 1 18 . 1 1 144 144 ASP CA C 134 57.800 57.800 57.492 0.308 18547 17817 1 18 . 1 1 144 144 ASP CB C 134 39.800 39.800 40.798 -0.998 18547 17818 1 18 . 1 1 144 144 ASP H H 134 7.930 7.930 7.824 0.106 18547 17819 1 18 . 1 1 145 145 PHE N N 135 119.300 119.300 118.153 1.147 18547 17820 1 18 . 1 1 145 145 PHE HA H 135 4.580 4.580 4.414 0.166 18547 17821 1 18 . 1 1 145 145 PHE C C 135 178.000 178.000 177.948 0.052 18547 17822 1 18 . 1 1 145 145 PHE CA C 135 61.700 61.700 61.023 0.677 18547 17823 1 18 . 1 1 145 145 PHE CB C 135 39.400 39.400 38.707 0.693 18547 17824 1 18 . 1 1 145 145 PHE H H 135 7.690 7.690 7.975 -0.285 18547 17825 1 18 . 1 1 146 146 LEU N N 136 124.400 124.400 122.377 2.023 18547 17826 1 18 . 1 1 146 146 LEU HA H 136 3.200 3.200 4.010 -0.810 18547 17827 1 18 . 1 1 146 146 LEU C C 136 178.800 178.800 178.537 0.263 18547 17828 1 18 . 1 1 146 146 LEU CA C 136 58.400 58.400 57.636 0.764 18547 17829 1 18 . 1 1 146 146 LEU CB C 136 38.800 38.800 40.780 -1.980 18547 17830 1 18 . 1 1 146 146 LEU H H 136 7.930 7.930 8.165 -0.235 18547 17831 1 18 . 1 1 147 147 GLY N N 137 104.200 104.200 106.354 -2.154 18547 17832 1 18 . 1 1 147 147 GLY C C 137 176.100 176.100 176.012 0.088 18547 17833 1 18 . 1 1 147 147 GLY CA C 137 47.900 47.900 47.393 0.507 18547 17834 1 18 . 1 1 147 147 GLY H H 137 8.340 8.340 8.386 -0.046 18547 17835 1 18 . 1 1 148 148 MET N N 138 119.300 119.300 121.398 -2.098 18547 17836 1 18 . 1 1 148 148 MET HA H 138 4.090 4.090 4.178 -0.088 18547 17837 1 18 . 1 1 148 148 MET C C 138 177.700 177.700 177.392 0.308 18547 17838 1 18 . 1 1 148 148 MET CA C 138 59.400 59.400 58.563 0.837 18547 17839 1 18 . 1 1 148 148 MET CB C 138 34.500 34.500 32.850 1.650 18547 17840 1 18 . 1 1 148 148 MET H H 138 7.550 7.550 7.759 -0.209 18547 17841 1 18 . 1 1 149 149 PHE N N 139 120.400 120.400 121.480 -1.080 18547 17842 1 18 . 1 1 149 149 PHE HA H 139 4.380 4.380 4.710 -0.330 18547 17843 1 18 . 1 1 149 149 PHE C C 139 179.100 179.100 178.489 0.611 18547 17844 1 18 . 1 1 149 149 PHE CA C 139 60.800 60.800 60.243 0.557 18547 17845 1 18 . 1 1 149 149 PHE CB C 139 39.200 39.200 39.046 0.154 18547 17846 1 18 . 1 1 149 149 PHE H H 139 8.600 8.600 8.146 0.454 18547 17847 1 18 . 1 1 150 150 ILE N N 140 121.300 121.300 118.269 3.031 18547 17848 1 18 . 1 1 150 150 ILE HA H 140 3.420 3.420 3.297 0.123 18547 17849 1 18 . 1 1 150 150 ILE C C 140 177.500 177.500 177.512 -0.012 18547 17850 1 18 . 1 1 150 150 ILE CA C 140 63.100 63.100 64.182 -1.082 18547 17851 1 18 . 1 1 150 150 ILE CB C 140 37.100 37.100 37.575 -0.475 18547 17852 1 18 . 1 1 150 150 ILE H H 140 8.780 8.780 8.387 0.393 18547 17853 1 18 . 1 1 151 151 ARG N N 141 116.500 116.500 118.491 -1.991 18547 17854 1 18 . 1 1 151 151 ARG HA H 141 4.220 4.220 4.027 0.193 18547 17855 1 18 . 1 1 151 151 ARG C C 141 176.700 176.700 176.935 -0.235 18547 17856 1 18 . 1 1 151 151 ARG CA C 141 57.500 57.500 57.888 -0.388 18547 17857 1 18 . 1 1 151 151 ARG CB C 141 31.500 31.500 31.082 0.418 18547 17858 1 18 . 1 1 151 151 ARG H H 141 7.730 7.730 7.752 -0.022 18547 17859 1 18 . 1 1 152 152 GLY N N 142 106.800 106.800 106.082 0.718 18547 17860 1 18 . 1 1 152 152 GLY C C 142 174.900 174.900 173.491 1.409 18547 17861 1 18 . 1 1 152 152 GLY CA C 142 45.700 45.700 44.539 1.161 18547 17862 1 18 . 1 1 152 152 GLY H H 142 7.570 7.570 7.570 -0.000 18547 17863 1 18 . 1 1 153 153 ASP N N 143 119.400 119.400 120.222 -0.822 18547 17864 1 18 . 1 1 153 153 ASP HA H 143 4.780 4.780 4.994 -0.214 18547 17865 1 18 . 1 1 153 153 ASP C C 143 175.400 175.400 175.726 -0.326 18547 17866 1 18 . 1 1 153 153 ASP CA C 143 54.200 54.200 52.951 1.249 18547 17867 1 18 . 1 1 153 153 ASP CB C 143 42.100 42.100 42.890 -0.790 18547 17868 1 18 . 1 1 153 153 ASP H H 143 8.290 8.290 7.992 0.298 18547 17869 1 18 . 1 1 154 154 LEU N N 144 121.300 121.300 118.722 2.578 18547 17870 1 18 . 1 1 154 154 LEU HA H 144 4.810 4.810 4.267 0.543 18547 17871 1 18 . 1 1 154 154 LEU CA C 144 52.800 52.800 55.776 -2.976 18547 17872 1 18 . 1 1 154 154 LEU CB C 144 42.500 42.500 41.272 1.228 18547 17873 1 18 . 1 1 154 154 LEU H H 144 8.010 8.010 8.719 -0.709 18547 17874 1 18 . 1 1 155 155 PRO HA H 145 4.480 4.480 4.540 -0.060 18547 17875 1 18 . 1 1 155 155 PRO C C 145 177.600 177.600 176.564 1.036 18547 17876 1 18 . 1 1 155 155 PRO CA C 145 63.500 63.500 63.777 -0.277 18547 17877 1 18 . 1 1 155 155 PRO CB C 145 32.200 32.200 32.166 0.034 18547 17878 1 18 . 1 1 156 156 GLY N N 146 108.900 108.900 107.714 1.186 18547 17879 1 18 . 1 1 156 156 GLY C C 146 174.300 174.300 174.198 0.102 18547 17880 1 18 . 1 1 156 156 GLY CA C 146 45.100 45.100 44.795 0.305 18547 17881 1 18 . 1 1 156 156 GLY H H 146 8.530 8.530 8.090 0.440 18547 17882 1 18 . 1 1 157 157 GLY N N 147 108.800 108.800 109.408 -0.608 18547 17883 1 18 . 1 1 157 157 GLY CA C 147 44.500 44.500 43.161 1.339 18547 17884 1 18 . 1 1 157 157 GLY H H 147 8.080 8.080 8.105 -0.025 18547 17885 1 18 . 1 1 158 158 PRO HA H 148 4.440 4.440 4.343 0.097 18547 17886 1 18 . 1 1 158 158 PRO C C 148 176.800 176.800 176.349 0.451 18547 17887 1 18 . 1 1 158 158 PRO CA C 148 63.000 63.000 63.729 -0.729 18547 17888 1 18 . 1 1 158 158 PRO CB C 148 32.100 32.100 32.145 -0.045 18547 17889 1 18 . 1 1 159 159 VAL N N 149 121.400 121.400 115.412 5.988 18547 17890 1 18 . 1 1 159 159 VAL HA H 149 4.390 4.390 4.494 -0.104 18547 17891 1 18 . 1 1 159 159 VAL CA C 149 59.800 59.800 58.463 1.337 18547 17892 1 18 . 1 1 159 159 VAL CB C 149 32.600 32.600 34.231 -1.631 18547 17893 1 18 . 1 1 159 159 VAL H H 149 8.220 8.220 7.354 0.867 18547 17894 1 18 . 1 1 160 160 PRO HA H 150 4.380 4.380 4.059 0.321 18547 17895 1 18 . 1 1 160 160 PRO C C 150 177.200 177.200 177.197 0.003 18547 17896 1 18 . 1 1 160 160 PRO CA C 150 63.300 63.300 64.007 -0.708 18547 17897 1 18 . 1 1 160 160 PRO CB C 150 32.100 32.100 31.889 0.211 18547 17898 1 18 . 1 1 161 161 GLU N N 151 120.700 120.700 119.083 1.617 18547 17899 1 18 . 1 1 161 161 GLU HA H 151 4.170 4.170 4.302 -0.132 18547 17900 1 18 . 1 1 161 161 GLU CA C 151 57.400 57.400 55.634 1.766 18547 17901 1 18 . 1 1 161 161 GLU CB C 151 29.900 29.900 28.439 1.461 18547 17902 1 18 . 1 1 161 161 GLU H H 151 8.620 8.620 8.578 0.042 18547 17903 1 18 . 1 1 162 162 ASP N N 152 119.900 119.900 121.555 -1.655 18547 17904 1 18 . 1 1 162 162 ASP HA H 152 4.570 4.570 4.473 0.097 18547 17905 1 18 . 1 1 162 162 ASP C C 152 176.000 176.000 176.911 -0.911 18547 17906 1 18 . 1 1 162 162 ASP CA C 152 54.200 54.200 56.020 -1.820 18547 17907 1 18 . 1 1 162 162 ASP CB C 152 41.000 41.000 40.887 0.113 18547 17908 1 18 . 1 1 162 162 ASP H H 152 8.250 8.250 7.843 0.407 18547 17909 1 18 . 1 1 163 163 ALA N N 153 124.000 124.000 120.364 3.636 18547 17910 1 18 . 1 1 163 163 ALA HA H 153 4.270 4.270 4.140 0.130 18547 17911 1 18 . 1 1 163 163 ALA C C 153 177.400 177.400 177.078 0.322 18547 17912 1 18 . 1 1 163 163 ALA CA C 153 52.700 52.700 52.783 -0.083 18547 17913 1 18 . 1 1 163 163 ALA CB C 153 19.200 19.200 18.799 0.401 18547 17914 1 18 . 1 1 163 163 ALA H H 153 8.040 8.040 8.094 -0.054 18547 17915 1 18 . 1 1 164 164 ALA N N 154 122.600 122.600 117.754 4.846 18547 17916 1 18 . 1 1 164 164 ALA HA H 154 4.260 4.260 3.980 0.280 18547 17917 1 18 . 1 1 164 164 ALA C C 154 177.900 177.900 176.389 1.511 18547 17918 1 18 . 1 1 164 164 ALA CA C 154 52.600 52.600 53.272 -0.672 18547 17919 1 18 . 1 1 164 164 ALA CB C 154 19.300 19.300 18.193 1.107 18547 17920 1 18 . 1 1 164 164 ALA H H 154 8.190 8.190 7.682 0.508 18547 17921 1 18 . 1 1 165 165 GLU N N 155 119.400 119.400 115.019 4.381 18547 17922 1 18 . 1 1 165 165 GLU HA H 155 4.220 4.220 4.025 0.195 18547 17923 1 18 . 1 1 165 165 GLU C C 155 176.200 176.200 175.196 1.004 18547 17924 1 18 . 1 1 165 165 GLU CA C 155 56.500 56.500 56.420 0.080 18547 17925 1 18 . 1 1 165 165 GLU CB C 155 30.300 30.300 30.141 0.159 18547 17926 1 18 . 1 1 165 165 GLU H H 155 8.190 8.190 8.221 -0.031 18547 17927 1 18 . 1 1 166 166 GLU N N 156 121.000 121.000 122.379 -1.379 18547 17928 1 18 . 1 1 166 166 GLU HA H 156 4.240 4.240 4.290 -0.050 18547 17929 1 18 . 1 1 166 166 GLU C C 156 175.800 175.800 175.403 0.397 18547 17930 1 18 . 1 1 166 166 GLU CA C 156 56.300 56.300 56.924 -0.624 18547 17931 1 18 . 1 1 166 166 GLU CB C 156 30.300 30.300 28.573 1.727 18547 17932 1 18 . 1 1 166 166 GLU H H 156 8.230 8.230 8.625 -0.395 18547 17933 1 18 . 1 1 167 167 PHE N N 157 121.400 121.400 120.383 1.017 18547 17934 1 18 . 1 1 167 167 PHE HA H 157 4.590 4.590 4.545 0.045 18547 17935 1 18 . 1 1 167 167 PHE C C 157 175.100 175.100 174.275 0.825 18547 17936 1 18 . 1 1 167 167 PHE CA C 157 57.700 57.700 57.326 0.374 18547 17937 1 18 . 1 1 167 167 PHE CB C 157 39.900 39.900 41.450 -1.550 18547 17938 1 18 . 1 1 167 167 PHE H H 157 8.240 8.240 7.938 0.302 18547 17939 1 18 . 1 1 168 168 GLU N N 158 124.400 124.400 119.782 4.618 18547 17940 1 18 . 1 1 168 168 GLU HA H 158 4.600 4.600 4.291 0.309 18547 17941 1 18 . 1 1 168 168 GLU CA C 158 53.700 53.700 56.358 -2.658 18547 17942 1 18 . 1 1 168 168 GLU CB C 158 30.400 30.400 28.662 1.738 18547 17943 1 18 . 1 1 168 168 GLU H H 158 8.130 8.130 8.636 -0.506 18547 17944 1 18 . 1 1 169 169 PRO HA H 159 4.460 4.460 4.446 0.014 18547 17945 1 18 . 1 1 169 169 PRO C C 159 176.200 176.200 176.263 -0.063 18547 17946 1 18 . 1 1 169 169 PRO CA C 159 62.800 62.800 63.251 -0.451 18547 17947 1 18 . 1 1 169 169 PRO CB C 159 32.300 32.300 31.519 0.781 18547 17948 1 18 . 1 1 170 170 SER N N 160 118.600 118.600 121.388 -2.788 18547 17949 1 18 . 1 1 170 170 SER HA H 160 4.780 4.780 4.901 -0.121 18547 17950 1 18 . 1 1 170 170 SER CA C 160 56.200 56.200 55.431 0.769 18547 17951 1 18 . 1 1 170 170 SER CB C 160 63.200 63.200 63.491 -0.291 18547 17952 1 18 . 1 1 170 170 SER H H 160 8.290 8.290 7.964 0.326 18547 17953 1 18 . 1 1 171 171 PRO HA H 161 4.350 4.350 4.145 0.205 18547 17954 1 18 . 1 1 171 171 PRO C C 161 179.400 179.400 178.870 0.530 18547 17955 1 18 . 1 1 171 171 PRO CA C 161 65.500 65.500 65.606 -0.106 18547 17956 1 18 . 1 1 171 171 PRO CB C 161 31.700 31.700 31.929 -0.229 18547 17957 1 18 . 1 1 172 172 GLU N N 162 118.300 118.300 117.899 0.401 18547 17958 1 18 . 1 1 172 172 GLU HA H 162 4.160 4.160 4.133 0.027 18547 17959 1 18 . 1 1 172 172 GLU C C 162 178.300 178.300 179.093 -0.793 18547 17960 1 18 . 1 1 172 172 GLU CA C 162 59.300 59.300 59.288 0.012 18547 17961 1 18 . 1 1 172 172 GLU CB C 162 29.400 29.400 29.200 0.200 18547 17962 1 18 . 1 1 172 172 GLU H H 162 8.540 8.540 8.634 -0.094 18547 17963 1 18 . 1 1 173 173 MET N N 163 119.400 119.400 119.679 -0.279 18547 17964 1 18 . 1 1 173 173 MET HA H 163 4.260 4.260 4.300 -0.040 18547 17965 1 18 . 1 1 173 173 MET C C 163 179.200 179.200 177.996 1.204 18547 17966 1 18 . 1 1 173 173 MET CA C 163 58.200 58.200 57.450 0.750 18547 17967 1 18 . 1 1 173 173 MET CB C 163 32.500 32.500 32.150 0.350 18547 17968 1 18 . 1 1 173 173 MET H H 163 7.830 7.830 8.051 -0.221 18547 17969 1 18 . 1 1 174 174 MET N N 164 119.300 119.300 118.752 0.548 18547 17970 1 18 . 1 1 174 174 MET HA H 164 4.260 4.260 3.972 0.288 18547 17971 1 18 . 1 1 174 174 MET C C 164 178.600 178.600 178.345 0.255 18547 17972 1 18 . 1 1 174 174 MET CA C 164 58.200 58.200 59.307 -1.107 18547 17973 1 18 . 1 1 174 174 MET CB C 164 31.900 31.900 32.239 -0.339 18547 17974 1 18 . 1 1 174 174 MET H H 164 8.320 8.320 8.399 -0.079 18547 17975 1 18 . 1 1 175 175 ARG N N 165 121.200 121.200 119.741 1.459 18547 17976 1 18 . 1 1 175 175 ARG HA H 165 4.160 4.160 3.953 0.207 18547 17977 1 18 . 1 1 175 175 ARG C C 165 178.800 178.800 178.448 0.352 18547 17978 1 18 . 1 1 175 175 ARG CA C 165 59.400 59.400 59.164 0.236 18547 17979 1 18 . 1 1 175 175 ARG CB C 165 29.900 29.900 29.573 0.327 18547 17980 1 18 . 1 1 175 175 ARG H H 165 8.020 8.020 7.854 0.166 18547 17981 1 18 . 1 1 176 176 ILE N N 166 120.500 120.500 119.504 0.996 18547 17982 1 18 . 1 1 176 176 ILE HA H 166 3.920 3.920 3.947 -0.027 18547 17983 1 18 . 1 1 176 176 ILE C C 166 178.500 178.500 178.359 0.141 18547 17984 1 18 . 1 1 176 176 ILE CA C 166 64.500 64.500 65.348 -0.848 18547 17985 1 18 . 1 1 176 176 ILE CB C 166 37.900 37.900 37.835 0.065 18547 17986 1 18 . 1 1 176 176 ILE H H 166 8.110 8.110 7.744 0.366 18547 17987 1 18 . 1 1 177 177 SER N N 167 116.300 116.300 114.102 2.198 18547 17988 1 18 . 1 1 177 177 SER HA H 167 4.240 4.240 4.032 0.208 18547 17989 1 18 . 1 1 177 177 SER C C 167 177.300 177.300 176.772 0.528 18547 17990 1 18 . 1 1 177 177 SER CA C 167 62.500 62.500 61.445 1.055 18547 17991 1 18 . 1 1 177 177 SER CB C 167 62.800 62.800 62.959 -0.159 18547 17992 1 18 . 1 1 177 177 SER H H 167 8.290 8.290 8.040 0.250 18547 17993 1 18 . 1 1 178 178 GLN N N 168 123.300 123.300 120.847 2.453 18547 17994 1 18 . 1 1 178 178 GLN HA H 168 4.110 4.110 4.059 0.051 18547 17995 1 18 . 1 1 178 178 GLN C C 168 178.600 178.600 178.298 0.302 18547 17996 1 18 . 1 1 178 178 GLN CA C 168 59.200 59.200 59.132 0.068 18547 17997 1 18 . 1 1 178 178 GLN CB C 168 28.000 28.000 28.863 -0.863 18547 17998 1 18 . 1 1 178 178 GLN H H 168 8.080 8.080 7.856 0.224 18547 17999 1 18 . 1 1 179 179 GLU N N 169 121.200 121.200 119.994 1.206 18547 18000 1 18 . 1 1 179 179 GLU HA H 169 4.090 4.090 3.972 0.118 18547 18001 1 18 . 1 1 179 179 GLU C C 169 180.500 180.500 179.398 1.102 18547 18002 1 18 . 1 1 179 179 GLU CA C 169 59.500 59.500 59.590 -0.090 18547 18003 1 18 . 1 1 179 179 GLU CB C 169 29.700 29.700 29.527 0.173 18547 18004 1 18 . 1 1 179 179 GLU H H 169 8.380 8.380 8.181 0.199 18547 18005 1 18 . 1 1 180 180 ARG N N 170 120.800 120.800 118.056 2.744 18547 18006 1 18 . 1 1 180 180 ARG HA H 170 4.010 4.010 4.270 -0.260 18547 18007 1 18 . 1 1 180 180 ARG C C 170 178.100 178.100 179.174 -1.074 18547 18008 1 18 . 1 1 180 180 ARG CA C 170 59.900 59.900 57.479 2.421 18547 18009 1 18 . 1 1 180 180 ARG CB C 170 30.600 30.600 29.440 1.160 18547 18010 1 18 . 1 1 180 180 ARG H H 170 8.670 8.670 8.073 0.597 18547 18011 1 18 . 1 1 181 181 GLY N N 171 108.200 108.200 108.084 0.116 18547 18012 1 18 . 1 1 181 181 GLY C C 171 176.600 176.600 176.598 0.002 18547 18013 1 18 . 1 1 181 181 GLY CA C 171 47.800 47.800 47.210 0.590 18547 18014 1 18 . 1 1 181 181 GLY H H 171 8.550 8.550 8.153 0.397 18547 18015 1 18 . 1 1 182 182 GLU N N 172 121.900 121.900 122.098 -0.198 18547 18016 1 18 . 1 1 182 182 GLU HA H 172 4.110 4.110 4.003 0.107 18547 18017 1 18 . 1 1 182 182 GLU C C 172 179.300 179.300 179.021 0.279 18547 18018 1 18 . 1 1 182 182 GLU CA C 172 59.300 59.300 58.984 0.316 18547 18019 1 18 . 1 1 182 182 GLU CB C 172 29.300 29.300 29.612 -0.312 18547 18020 1 18 . 1 1 182 182 GLU H H 172 8.190 8.190 8.280 -0.090 18547 18021 1 18 . 1 1 183 183 ALA N N 173 123.500 123.500 122.223 1.277 18547 18022 1 18 . 1 1 183 183 ALA HA H 173 4.150 4.150 4.085 0.065 18547 18023 1 18 . 1 1 183 183 ALA C C 173 181.500 181.500 179.593 1.907 18547 18024 1 18 . 1 1 183 183 ALA CA C 173 55.000 55.000 54.649 0.351 18547 18025 1 18 . 1 1 183 183 ALA CB C 173 17.100 17.100 18.197 -1.097 18547 18026 1 18 . 1 1 183 183 ALA H H 173 7.800 7.800 7.547 0.253 18547 18027 1 18 . 1 1 184 184 TRP N N 174 118.100 118.100 118.064 0.036 18547 18028 1 18 . 1 1 184 184 TRP HA H 174 4.540 4.540 4.387 0.153 18547 18029 1 18 . 1 1 184 184 TRP C C 174 178.500 178.500 178.137 0.363 18547 18030 1 18 . 1 1 184 184 TRP CA C 174 60.600 60.600 60.204 0.396 18547 18031 1 18 . 1 1 184 184 TRP CB C 174 30.800 30.800 29.495 1.305 18547 18032 1 18 . 1 1 184 184 TRP H H 174 8.400 8.400 8.405 -0.005 18547 18033 1 18 . 1 1 185 185 ALA N N 175 121.700 121.700 121.947 -0.247 18547 18034 1 18 . 1 1 185 185 ALA HA H 175 3.920 3.920 4.261 -0.341 18547 18035 1 18 . 1 1 185 185 ALA C C 175 179.600 179.600 178.993 0.607 18547 18036 1 18 . 1 1 185 185 ALA CA C 175 55.600 55.600 54.718 0.882 18547 18037 1 18 . 1 1 185 185 ALA CB C 175 17.900 17.900 18.010 -0.110 18547 18038 1 18 . 1 1 185 185 ALA H H 175 8.800 8.800 8.191 0.609 18547 18039 1 18 . 1 1 186 186 ALA N N 176 119.000 119.000 120.832 -1.832 18547 18040 1 18 . 1 1 186 186 ALA HA H 176 4.190 4.190 4.044 0.146 18547 18041 1 18 . 1 1 186 186 ALA C C 176 180.300 180.300 179.054 1.246 18547 18042 1 18 . 1 1 186 186 ALA CA C 176 54.800 54.800 54.651 0.149 18547 18043 1 18 . 1 1 186 186 ALA CB C 176 17.900 17.900 18.476 -0.576 18547 18044 1 18 . 1 1 186 186 ALA H H 176 7.860 7.860 7.635 0.225 18547 18045 1 18 . 1 1 187 187 LEU N N 177 118.500 118.500 119.257 -0.757 18547 18046 1 18 . 1 1 187 187 LEU HA H 177 4.210 4.210 4.036 0.174 18547 18047 1 18 . 1 1 187 187 LEU C C 177 179.400 179.400 179.417 -0.017 18547 18048 1 18 . 1 1 187 187 LEU CA C 177 57.600 57.600 57.673 -0.074 18547 18049 1 18 . 1 1 187 187 LEU CB C 177 42.700 42.700 42.026 0.674 18547 18050 1 18 . 1 1 187 187 LEU H H 177 7.460 7.460 7.586 -0.126 18547 18051 1 18 . 1 1 188 188 VAL N N 178 118.500 118.500 118.233 0.267 18547 18052 1 18 . 1 1 188 188 VAL HA H 178 3.660 3.660 3.717 -0.057 18547 18053 1 18 . 1 1 188 188 VAL C C 178 177.600 177.600 176.765 0.835 18547 18054 1 18 . 1 1 188 188 VAL CA C 178 66.000 66.000 65.195 0.805 18547 18055 1 18 . 1 1 188 188 VAL CB C 178 32.400 32.400 32.066 0.334 18547 18056 1 18 . 1 1 188 188 VAL H H 178 8.640 8.640 7.849 0.791 18547 18057 1 18 . 1 1 189 189 HIS N N 179 116.000 116.000 115.848 0.152 18547 18058 1 18 . 1 1 189 189 HIS HA H 179 4.780 4.780 4.631 0.149 18547 18059 1 18 . 1 1 189 189 HIS C C 179 175.300 175.300 175.327 -0.027 18547 18060 1 18 . 1 1 189 189 HIS CA C 179 56.200 56.200 57.018 -0.818 18547 18061 1 18 . 1 1 189 189 HIS CB C 179 28.500 28.500 30.114 -1.614 18547 18062 1 18 . 1 1 189 189 HIS H H 179 8.150 8.150 7.859 0.291 18547 18063 1 18 . 1 1 190 190 SER N N 180 115.000 115.000 113.252 1.748 18547 18064 1 18 . 1 1 190 190 SER HA H 180 4.480 4.480 4.602 -0.122 18547 18065 1 18 . 1 1 190 190 SER C C 180 175.100 175.100 175.076 0.024 18547 18066 1 18 . 1 1 190 190 SER CA C 180 59.500 59.500 58.043 1.457 18547 18067 1 18 . 1 1 190 190 SER CB C 180 64.000 64.000 64.865 -0.865 18547 18068 1 18 . 1 1 190 190 SER H H 180 7.820 7.820 7.498 0.322 18547 18069 1 18 . 1 1 191 191 GLY N N 181 111.100 111.100 108.329 2.771 18547 18070 1 18 . 1 1 191 191 GLY C C 181 173.400 173.400 174.063 -0.663 18547 18071 1 18 . 1 1 191 191 GLY CA C 181 45.500 45.500 45.407 0.093 18547 18072 1 18 . 1 1 191 191 GLY H H 181 8.330 8.330 8.818 -0.488 18547 18073 1 19 . 1 1 12 12 ALA N N 2 125.600 125.600 121.873 3.727 18547 18074 1 19 . 1 1 12 12 ALA HA H 2 4.300 4.300 4.733 -0.433 18547 18075 1 19 . 1 1 12 12 ALA C C 2 177.600 177.600 178.637 -1.037 18547 18076 1 19 . 1 1 12 12 ALA CA C 2 52.600 52.600 52.335 0.265 18547 18077 1 19 . 1 1 12 12 ALA CB C 2 19.200 19.200 20.514 -1.314 18547 18078 1 19 . 1 1 12 12 ALA H H 2 8.380 8.380 8.349 0.031 18547 18079 1 19 . 1 1 13 13 SER N N 3 115.000 115.000 116.509 -1.509 18547 18080 1 19 . 1 1 13 13 SER HA H 3 4.390 4.390 4.713 -0.323 18547 18081 1 19 . 1 1 13 13 SER C C 3 175.100 175.100 175.086 0.014 18547 18082 1 19 . 1 1 13 13 SER CA C 3 58.500 58.500 57.663 0.837 18547 18083 1 19 . 1 1 13 13 SER CB C 3 63.800 63.800 62.602 1.198 18547 18084 1 19 . 1 1 13 13 SER H H 3 8.250 8.250 8.095 0.155 18547 18085 1 19 . 1 1 14 14 GLY N N 4 110.700 110.700 112.241 -1.541 18547 18086 1 19 . 1 1 14 14 GLY C C 4 174.000 174.000 173.718 0.282 18547 18087 1 19 . 1 1 14 14 GLY CA C 4 45.400 45.400 45.848 -0.448 18547 18088 1 19 . 1 1 14 14 GLY H H 4 8.390 8.390 8.531 -0.141 18547 18089 1 19 . 1 1 15 15 GLN N N 5 120.100 120.100 120.462 -0.362 18547 18090 1 19 . 1 1 15 15 GLN HA H 5 4.310 4.310 4.768 -0.458 18547 18091 1 19 . 1 1 15 15 GLN C C 5 175.500 175.500 174.101 1.399 18547 18092 1 19 . 1 1 15 15 GLN CA C 5 55.600 55.600 54.233 1.367 18547 18093 1 19 . 1 1 15 15 GLN CB C 5 29.700 29.700 32.249 -2.549 18547 18094 1 19 . 1 1 15 15 GLN H H 5 8.190 8.190 7.674 0.516 18547 18095 1 19 . 1 1 16 16 ALA N N 6 126.000 126.000 120.904 5.096 18547 18096 1 19 . 1 1 16 16 ALA HA H 6 4.360 4.360 4.705 -0.345 18547 18097 1 19 . 1 1 16 16 ALA C C 6 177.300 177.300 175.630 1.670 18547 18098 1 19 . 1 1 16 16 ALA CA C 6 52.300 52.300 52.299 0.001 18547 18099 1 19 . 1 1 16 16 ALA CB C 6 19.200 19.200 19.278 -0.078 18547 18100 1 19 . 1 1 16 16 ALA H H 6 8.400 8.400 8.453 -0.053 18547 18101 1 19 . 1 1 17 17 THR N N 7 119.200 119.200 115.453 3.747 18547 18102 1 19 . 1 1 17 17 THR HA H 7 4.370 4.370 4.553 -0.183 18547 18103 1 19 . 1 1 17 17 THR C C 7 173.600 173.600 174.165 -0.565 18547 18104 1 19 . 1 1 17 17 THR CA C 7 63.200 63.200 61.553 1.647 18547 18105 1 19 . 1 1 17 17 THR CB C 7 70.600 70.600 69.978 0.622 18547 18106 1 19 . 1 1 17 17 THR H H 7 8.180 8.180 7.959 0.221 18547 18107 1 19 . 1 1 18 18 GLU N N 8 127.500 127.500 126.655 0.845 18547 18108 1 19 . 1 1 18 18 GLU HA H 8 4.540 4.540 4.542 -0.002 18547 18109 1 19 . 1 1 18 18 GLU C C 8 174.200 174.200 175.281 -1.081 18547 18110 1 19 . 1 1 18 18 GLU CA C 8 55.100 55.100 55.229 -0.129 18547 18111 1 19 . 1 1 18 18 GLU CB C 8 31.900 31.900 31.825 0.075 18547 18112 1 19 . 1 1 18 18 GLU H H 8 8.810 8.810 8.512 0.298 18547 18113 1 19 . 1 1 19 19 ARG N N 9 122.100 122.100 125.401 -3.301 18547 18114 1 19 . 1 1 19 19 ARG HA H 9 5.060 5.060 4.281 0.779 18547 18115 1 19 . 1 1 19 19 ARG C C 9 175.000 175.000 175.552 -0.552 18547 18116 1 19 . 1 1 19 19 ARG CA C 9 54.800 54.800 56.466 -1.666 18547 18117 1 19 . 1 1 19 19 ARG CB C 9 31.600 31.600 30.141 1.459 18547 18118 1 19 . 1 1 19 19 ARG H H 9 8.070 8.070 8.647 -0.577 18547 18119 1 19 . 1 1 20 20 ALA N N 10 126.300 126.300 124.634 1.666 18547 18120 1 19 . 1 1 20 20 ALA HA H 10 4.640 4.640 4.526 0.114 18547 18121 1 19 . 1 1 20 20 ALA C C 10 173.800 173.800 174.925 -1.125 18547 18122 1 19 . 1 1 20 20 ALA CA C 10 51.100 51.100 51.584 -0.484 18547 18123 1 19 . 1 1 20 20 ALA CB C 10 22.800 22.800 22.149 0.651 18547 18124 1 19 . 1 1 20 20 ALA H H 10 9.390 9.390 8.315 1.075 18547 18125 1 19 . 1 1 21 21 LEU N N 11 117.500 117.500 120.397 -2.897 18547 18126 1 19 . 1 1 21 21 LEU HA H 11 5.790 5.790 5.660 0.130 18547 18127 1 19 . 1 1 21 21 LEU C C 11 178.100 178.100 176.167 1.933 18547 18128 1 19 . 1 1 21 21 LEU CA C 11 53.100 53.100 53.777 -0.677 18547 18129 1 19 . 1 1 21 21 LEU CB C 11 45.400 45.400 46.818 -1.418 18547 18130 1 19 . 1 1 21 21 LEU H H 11 8.280 8.280 8.407 -0.127 18547 18131 1 19 . 1 1 22 22 GLY N N 12 113.400 113.400 109.370 4.030 18547 18132 1 19 . 1 1 22 22 GLY C C 12 174.800 174.800 172.254 2.546 18547 18133 1 19 . 1 1 22 22 GLY CA C 12 44.500 44.500 45.234 -0.735 18547 18134 1 19 . 1 1 22 22 GLY H H 12 8.830 8.830 8.893 -0.063 18547 18135 1 19 . 1 1 23 23 ARG N N 13 119.600 119.600 117.912 1.688 18547 18136 1 19 . 1 1 23 23 ARG HA H 13 5.040 5.040 4.846 0.194 18547 18137 1 19 . 1 1 23 23 ARG C C 13 174.900 174.900 174.207 0.693 18547 18138 1 19 . 1 1 23 23 ARG CA C 13 55.800 55.800 54.679 1.121 18547 18139 1 19 . 1 1 23 23 ARG CB C 13 33.600 33.600 32.653 0.947 18547 18140 1 19 . 1 1 23 23 ARG H H 13 8.160 8.160 8.312 -0.152 18547 18141 1 19 . 1 1 24 24 ARG N N 14 121.900 121.900 120.032 1.868 18547 18142 1 19 . 1 1 24 24 ARG HA H 14 4.530 4.530 4.636 -0.106 18547 18143 1 19 . 1 1 24 24 ARG C C 14 174.000 174.000 174.196 -0.196 18547 18144 1 19 . 1 1 24 24 ARG CA C 14 55.200 55.200 55.443 -0.243 18547 18145 1 19 . 1 1 24 24 ARG CB C 14 34.700 34.700 33.974 0.726 18547 18146 1 19 . 1 1 24 24 ARG H H 14 8.780 8.780 8.920 -0.140 18547 18147 1 19 . 1 1 25 25 THR N N 15 121.700 121.700 119.896 1.804 18547 18148 1 19 . 1 1 25 25 THR HA H 15 4.420 4.420 5.216 -0.796 18547 18149 1 19 . 1 1 25 25 THR C C 15 173.700 173.700 173.993 -0.293 18547 18150 1 19 . 1 1 25 25 THR CA C 15 63.600 63.600 61.381 2.219 18547 18151 1 19 . 1 1 25 25 THR CB C 15 68.600 68.600 69.707 -1.107 18547 18152 1 19 . 1 1 25 25 THR H H 15 8.800 8.800 8.310 0.490 18547 18153 1 19 . 1 1 26 26 ILE N N 16 124.200 124.200 122.141 2.059 18547 18154 1 19 . 1 1 26 26 ILE HA H 16 4.940 4.940 4.863 0.077 18547 18155 1 19 . 1 1 26 26 ILE CA C 16 59.300 59.300 57.097 2.203 18547 18156 1 19 . 1 1 26 26 ILE CB C 16 38.200 38.200 39.023 -0.823 18547 18157 1 19 . 1 1 26 26 ILE H H 16 8.420 8.420 8.493 -0.073 18547 18158 1 19 . 1 1 27 27 PRO HA H 17 4.180 4.180 4.199 -0.019 18547 18159 1 19 . 1 1 27 27 PRO C C 17 178.100 178.100 176.787 1.313 18547 18160 1 19 . 1 1 27 27 PRO CA C 17 67.200 67.200 65.543 1.657 18547 18161 1 19 . 1 1 27 27 PRO CB C 17 30.700 30.700 31.208 -0.508 18547 18162 1 19 . 1 1 28 28 ALA N N 18 114.800 114.800 118.210 -3.410 18547 18163 1 19 . 1 1 28 28 ALA HA H 18 4.270 4.270 4.322 -0.052 18547 18164 1 19 . 1 1 28 28 ALA C C 18 177.000 177.000 177.845 -0.845 18547 18165 1 19 . 1 1 28 28 ALA CA C 18 53.100 53.100 52.525 0.575 18547 18166 1 19 . 1 1 28 28 ALA CB C 18 19.500 19.500 19.549 -0.049 18547 18167 1 19 . 1 1 28 28 ALA H H 18 8.060 8.060 8.296 -0.236 18547 18168 1 19 . 1 1 29 29 GLY N N 19 107.100 107.100 106.170 0.930 18547 18169 1 19 . 1 1 29 29 GLY C C 19 171.900 171.900 172.240 -0.340 18547 18170 1 19 . 1 1 29 29 GLY CA C 19 44.000 44.000 44.777 -0.777 18547 18171 1 19 . 1 1 29 29 GLY H H 19 8.140 8.140 7.536 0.604 18547 18172 1 19 . 1 1 30 30 GLU N N 20 120.000 120.000 122.538 -2.538 18547 18173 1 19 . 1 1 30 30 GLU HA H 20 4.320 4.320 4.547 -0.227 18547 18174 1 19 . 1 1 30 30 GLU C C 20 175.600 175.600 175.272 0.328 18547 18175 1 19 . 1 1 30 30 GLU CA C 20 57.300 57.300 56.628 0.672 18547 18176 1 19 . 1 1 30 30 GLU CB C 20 29.100 29.100 30.366 -1.266 18547 18177 1 19 . 1 1 30 30 GLU H H 20 8.380 8.380 8.479 -0.099 18547 18178 1 19 . 1 1 31 31 ALA N N 21 129.500 129.500 126.738 2.762 18547 18179 1 19 . 1 1 31 31 ALA HA H 21 4.610 4.610 4.947 -0.337 18547 18180 1 19 . 1 1 31 31 ALA C C 21 177.200 177.200 175.728 1.472 18547 18181 1 19 . 1 1 31 31 ALA CA C 21 51.200 51.200 50.706 0.494 18547 18182 1 19 . 1 1 31 31 ALA CB C 21 22.500 22.500 22.781 -0.281 18547 18183 1 19 . 1 1 31 31 ALA H H 21 8.660 8.660 8.780 -0.120 18547 18184 1 19 . 1 1 32 32 ARG N N 22 120.400 120.400 118.677 1.723 18547 18185 1 19 . 1 1 32 32 ARG HA H 22 4.950 4.950 4.862 0.088 18547 18186 1 19 . 1 1 32 32 ARG C C 22 173.400 173.400 175.361 -1.961 18547 18187 1 19 . 1 1 32 32 ARG CA C 22 55.500 55.500 54.015 1.485 18547 18188 1 19 . 1 1 32 32 ARG CB C 22 32.500 32.500 33.659 -1.159 18547 18189 1 19 . 1 1 32 32 ARG H H 22 8.090 8.090 8.201 -0.111 18547 18190 1 19 . 1 1 33 33 SER N N 23 113.800 113.800 114.742 -0.942 18547 18191 1 19 . 1 1 33 33 SER HA H 23 5.560 5.560 5.506 0.054 18547 18192 1 19 . 1 1 33 33 SER C C 23 174.500 174.500 174.116 0.384 18547 18193 1 19 . 1 1 33 33 SER CA C 23 55.600 55.600 56.801 -1.201 18547 18194 1 19 . 1 1 33 33 SER CB C 23 67.300 67.300 65.947 1.353 18547 18195 1 19 . 1 1 33 33 SER H H 23 8.080 8.080 8.448 -0.368 18547 18196 1 19 . 1 1 34 34 ILE N N 24 112.700 112.700 119.217 -6.517 18547 18197 1 19 . 1 1 34 34 ILE HA H 24 4.950 4.950 4.830 0.120 18547 18198 1 19 . 1 1 34 34 ILE C C 24 175.400 175.400 174.483 0.917 18547 18199 1 19 . 1 1 34 34 ILE CA C 24 58.300 58.300 60.391 -2.091 18547 18200 1 19 . 1 1 34 34 ILE CB C 24 39.900 39.900 38.837 1.063 18547 18201 1 19 . 1 1 34 34 ILE H H 24 7.980 7.980 8.396 -0.416 18547 18202 1 19 . 1 1 35 35 ILE N N 25 121.800 121.800 126.430 -4.630 18547 18203 1 19 . 1 1 35 35 ILE HA H 25 4.960 4.960 5.238 -0.278 18547 18204 1 19 . 1 1 35 35 ILE C C 25 174.800 174.800 175.144 -0.344 18547 18205 1 19 . 1 1 35 35 ILE CA C 25 60.700 60.700 59.321 1.379 18547 18206 1 19 . 1 1 35 35 ILE CB C 25 41.300 41.300 40.530 0.770 18547 18207 1 19 . 1 1 35 35 ILE H H 25 8.960 8.960 8.494 0.466 18547 18208 1 19 . 1 1 36 36 ILE N N 26 127.900 127.900 127.829 0.071 18547 18209 1 19 . 1 1 36 36 ILE HA H 26 4.770 4.770 4.623 0.147 18547 18210 1 19 . 1 1 36 36 ILE C C 26 175.000 175.000 174.943 0.057 18547 18211 1 19 . 1 1 36 36 ILE CA C 26 59.900 59.900 60.424 -0.524 18547 18212 1 19 . 1 1 36 36 ILE CB C 26 42.100 42.100 38.623 3.478 18547 18213 1 19 . 1 1 36 36 ILE H H 26 9.210 9.210 8.380 0.830 18547 18214 1 19 . 1 1 37 37 ARG N N 27 124.100 124.100 128.472 -4.372 18547 18215 1 19 . 1 1 37 37 ARG HA H 27 5.850 5.850 5.122 0.728 18547 18216 1 19 . 1 1 37 37 ARG C C 27 176.200 176.200 174.998 1.202 18547 18217 1 19 . 1 1 37 37 ARG CA C 27 54.100 54.100 54.450 -0.351 18547 18218 1 19 . 1 1 37 37 ARG CB C 27 32.900 32.900 31.055 1.845 18547 18219 1 19 . 1 1 37 37 ARG H H 27 8.670 8.670 8.545 0.125 18547 18220 1 19 . 1 1 38 38 GLN N N 28 122.900 122.900 124.629 -1.729 18547 18221 1 19 . 1 1 38 38 GLN HA H 28 4.710 4.710 4.991 -0.281 18547 18222 1 19 . 1 1 38 38 GLN C C 28 173.200 173.200 174.598 -1.398 18547 18223 1 19 . 1 1 38 38 GLN CA C 28 54.400 54.400 54.446 -0.046 18547 18224 1 19 . 1 1 38 38 GLN CB C 28 35.200 35.200 31.174 4.026 18547 18225 1 19 . 1 1 38 38 GLN H H 28 9.310 9.310 7.944 1.366 18547 18226 1 19 . 1 1 39 39 ARG N N 29 121.400 121.400 127.057 -5.657 18547 18227 1 19 . 1 1 39 39 ARG HA H 29 5.260 5.260 4.450 0.810 18547 18228 1 19 . 1 1 39 39 ARG C C 29 175.400 175.400 175.248 0.152 18547 18229 1 19 . 1 1 39 39 ARG CA C 29 55.100 55.100 54.647 0.453 18547 18230 1 19 . 1 1 39 39 ARG CB C 29 32.500 32.500 29.945 2.555 18547 18231 1 19 . 1 1 39 39 ARG H H 29 8.510 8.510 7.894 0.616 18547 18232 1 19 . 1 1 40 40 TYR N N 30 120.000 120.000 125.769 -5.769 18547 18233 1 19 . 1 1 40 40 TYR HA H 30 4.600 4.600 4.457 0.143 18547 18234 1 19 . 1 1 40 40 TYR C C 30 175.600 175.600 175.750 -0.150 18547 18235 1 19 . 1 1 40 40 TYR CA C 30 56.900 56.900 56.170 0.730 18547 18236 1 19 . 1 1 40 40 TYR CB C 30 42.700 42.700 40.081 2.619 18547 18237 1 19 . 1 1 40 40 TYR H H 30 9.140 9.140 8.515 0.625 18547 18238 1 19 . 1 1 41 41 ASP N N 31 126.400 126.400 120.351 6.049 18547 18239 1 19 . 1 1 41 41 ASP HA H 31 4.880 4.880 4.825 0.055 18547 18240 1 19 . 1 1 41 41 ASP C C 31 174.500 174.500 174.143 0.357 18547 18241 1 19 . 1 1 41 41 ASP CA C 31 53.200 53.200 52.740 0.460 18547 18242 1 19 . 1 1 41 41 ASP CB C 31 39.200 39.200 39.064 0.136 18547 18243 1 19 . 1 1 41 41 ASP H H 31 9.140 9.140 8.580 0.560 18547 18244 1 19 . 1 1 42 42 ALA N N 32 123.100 123.100 123.572 -0.472 18547 18245 1 19 . 1 1 42 42 ALA HA H 32 4.690 4.690 4.621 0.069 18547 18246 1 19 . 1 1 42 42 ALA CA C 32 50.100 50.100 50.429 -0.329 18547 18247 1 19 . 1 1 42 42 ALA CB C 32 20.200 20.200 20.570 -0.370 18547 18248 1 19 . 1 1 42 42 ALA H H 32 7.770 7.770 7.391 0.379 18547 18249 1 19 . 1 1 43 43 PRO HA H 33 4.650 4.650 4.745 -0.095 18547 18250 1 19 . 1 1 43 43 PRO C C 33 178.100 178.100 177.697 0.403 18547 18251 1 19 . 1 1 43 43 PRO CA C 33 62.000 62.000 62.797 -0.797 18547 18252 1 19 . 1 1 43 43 PRO CB C 33 33.000 33.000 33.012 -0.012 18547 18253 1 19 . 1 1 44 44 VAL N N 34 123.500 123.500 122.750 0.750 18547 18254 1 19 . 1 1 44 44 VAL HA H 34 3.960 3.960 3.600 0.360 18547 18255 1 19 . 1 1 44 44 VAL C C 34 177.500 177.500 177.450 0.050 18547 18256 1 19 . 1 1 44 44 VAL CA C 34 66.000 66.000 66.826 -0.826 18547 18257 1 19 . 1 1 44 44 VAL CB C 34 32.000 32.000 31.370 0.630 18547 18258 1 19 . 1 1 44 44 VAL H H 34 8.570 8.570 8.143 0.427 18547 18259 1 19 . 1 1 45 45 ASP N N 35 116.200 116.200 118.824 -2.624 18547 18260 1 19 . 1 1 45 45 ASP HA H 35 4.290 4.290 4.359 -0.069 18547 18261 1 19 . 1 1 45 45 ASP C C 35 178.800 178.800 178.758 0.042 18547 18262 1 19 . 1 1 45 45 ASP CA C 35 57.500 57.500 57.527 -0.027 18547 18263 1 19 . 1 1 45 45 ASP CB C 35 40.400 40.400 40.213 0.187 18547 18264 1 19 . 1 1 45 45 ASP H H 35 8.520 8.520 8.681 -0.161 18547 18265 1 19 . 1 1 46 46 GLU N N 36 120.100 120.100 118.639 1.461 18547 18266 1 19 . 1 1 46 46 GLU HA H 36 4.260 4.260 4.275 -0.015 18547 18267 1 19 . 1 1 46 46 GLU C C 36 179.000 179.000 178.882 0.118 18547 18268 1 19 . 1 1 46 46 GLU CA C 36 58.400 58.400 57.666 0.734 18547 18269 1 19 . 1 1 46 46 GLU CB C 36 29.700 29.700 29.636 0.064 18547 18270 1 19 . 1 1 46 46 GLU H H 36 7.360 7.360 7.643 -0.283 18547 18271 1 19 . 1 1 47 47 VAL N N 37 121.800 121.800 120.908 0.892 18547 18272 1 19 . 1 1 47 47 VAL HA H 37 3.370 3.370 3.589 -0.219 18547 18273 1 19 . 1 1 47 47 VAL C C 37 177.100 177.100 177.531 -0.431 18547 18274 1 19 . 1 1 47 47 VAL CA C 37 66.900 66.900 66.709 0.191 18547 18275 1 19 . 1 1 47 47 VAL CB C 37 31.000 31.000 31.808 -0.808 18547 18276 1 19 . 1 1 47 47 VAL H H 37 7.680 7.680 7.811 -0.131 18547 18277 1 19 . 1 1 48 48 TRP N N 38 119.800 119.800 120.783 -0.983 18547 18278 1 19 . 1 1 48 48 TRP HA H 38 3.990 3.990 4.359 -0.369 18547 18279 1 19 . 1 1 48 48 TRP C C 38 180.700 180.700 177.981 2.719 18547 18280 1 19 . 1 1 48 48 TRP CA C 38 60.900 60.900 60.203 0.697 18547 18281 1 19 . 1 1 48 48 TRP CB C 38 29.300 29.300 29.722 -0.422 18547 18282 1 19 . 1 1 48 48 TRP H H 38 9.160 9.160 8.790 0.370 18547 18283 1 19 . 1 1 49 49 SER N N 39 116.100 116.100 116.720 -0.620 18547 18284 1 19 . 1 1 49 49 SER HA H 39 4.010 4.010 4.190 -0.180 18547 18285 1 19 . 1 1 49 49 SER C C 39 175.700 175.700 176.513 -0.813 18547 18286 1 19 . 1 1 49 49 SER CA C 39 62.700 62.700 61.433 1.267 18547 18287 1 19 . 1 1 49 49 SER CB C 39 62.700 62.700 62.588 0.112 18547 18288 1 19 . 1 1 49 49 SER H H 39 8.230 8.230 7.764 0.466 18547 18289 1 19 . 1 1 50 50 ALA N N 40 122.300 122.300 123.766 -1.466 18547 18290 1 19 . 1 1 50 50 ALA HA H 40 4.020 4.020 4.372 -0.352 18547 18291 1 19 . 1 1 50 50 ALA C C 40 176.700 176.700 180.227 -3.527 18547 18292 1 19 . 1 1 50 50 ALA CA C 40 55.200 55.200 55.239 -0.039 18547 18293 1 19 . 1 1 50 50 ALA CB C 40 18.800 18.800 18.291 0.509 18547 18294 1 19 . 1 1 50 50 ALA H H 40 7.770 7.770 7.914 -0.144 18547 18295 1 19 . 1 1 51 51 CYS N N 41 109.400 109.400 115.869 -6.469 18547 18296 1 19 . 1 1 51 51 CYS HA H 41 4.510 4.510 4.405 0.105 18547 18297 1 19 . 1 1 51 51 CYS C C 41 172.200 172.200 176.526 -4.326 18547 18298 1 19 . 1 1 51 51 CYS CA C 41 61.100 61.100 62.332 -1.232 18547 18299 1 19 . 1 1 51 51 CYS CB C 41 29.800 29.800 26.947 2.853 18547 18300 1 19 . 1 1 51 51 CYS H H 41 7.080 7.080 8.189 -1.109 18547 18301 1 19 . 1 1 52 52 THR N N 42 100.100 100.100 110.523 -10.423 18547 18302 1 19 . 1 1 52 52 THR HA H 42 4.240 4.240 4.154 0.086 18547 18303 1 19 . 1 1 52 52 THR C C 42 173.500 173.500 174.810 -1.310 18547 18304 1 19 . 1 1 52 52 THR CA C 42 62.200 62.200 62.300 -0.100 18547 18305 1 19 . 1 1 52 52 THR CB C 42 71.800 71.800 69.725 2.075 18547 18306 1 19 . 1 1 52 52 THR H H 42 6.800 6.800 7.507 -0.707 18547 18307 1 19 . 1 1 53 53 ASP N N 43 123.000 123.000 124.874 -1.874 18547 18308 1 19 . 1 1 53 53 ASP HA H 43 5.080 5.080 4.973 0.107 18547 18309 1 19 . 1 1 53 53 ASP CA C 43 50.600 50.600 52.593 -1.993 18547 18310 1 19 . 1 1 53 53 ASP CB C 43 42.000 42.000 41.357 0.643 18547 18311 1 19 . 1 1 53 53 ASP H H 43 8.040 8.040 7.945 0.095 18547 18312 1 19 . 1 1 54 54 PRO HA H 44 3.960 3.960 4.185 -0.225 18547 18313 1 19 . 1 1 54 54 PRO C C 44 176.300 176.300 178.206 -1.906 18547 18314 1 19 . 1 1 54 54 PRO CA C 44 65.900 65.900 65.376 0.524 18547 18315 1 19 . 1 1 54 54 PRO CB C 44 32.700 32.700 32.070 0.630 18547 18316 1 19 . 1 1 55 55 ASN N N 45 112.700 112.700 117.875 -5.175 18547 18317 1 19 . 1 1 55 55 ASN HA H 45 4.520 4.520 4.465 0.055 18547 18318 1 19 . 1 1 55 55 ASN C C 45 175.900 175.900 177.438 -1.538 18547 18319 1 19 . 1 1 55 55 ASN CA C 45 55.100 55.100 57.067 -1.967 18547 18320 1 19 . 1 1 55 55 ASN CB C 45 38.900 38.900 37.913 0.987 18547 18321 1 19 . 1 1 55 55 ASN H H 45 8.160 8.160 8.724 -0.564 18547 18322 1 19 . 1 1 56 56 ARG N N 46 117.700 117.700 118.321 -0.621 18547 18323 1 19 . 1 1 56 56 ARG HA H 46 4.250 4.250 4.372 -0.122 18547 18324 1 19 . 1 1 56 56 ARG C C 46 177.100 177.100 177.606 -0.506 18547 18325 1 19 . 1 1 56 56 ARG CA C 46 58.400 58.400 57.239 1.161 18547 18326 1 19 . 1 1 56 56 ARG CB C 46 31.800 31.800 30.541 1.259 18547 18327 1 19 . 1 1 56 56 ARG H H 46 7.940 7.940 7.880 0.060 18547 18328 1 19 . 1 1 57 57 ILE N N 47 120.100 120.100 118.354 1.746 18547 18329 1 19 . 1 1 57 57 ILE HA H 47 3.420 3.420 3.912 -0.492 18547 18330 1 19 . 1 1 57 57 ILE C C 47 177.400 177.400 176.511 0.889 18547 18331 1 19 . 1 1 57 57 ILE CA C 47 64.400 64.400 63.592 0.808 18547 18332 1 19 . 1 1 57 57 ILE CB C 47 39.500 39.500 38.102 1.398 18547 18333 1 19 . 1 1 57 57 ILE H H 47 8.610 8.610 7.987 0.623 18547 18334 1 19 . 1 1 58 58 ASN N N 48 112.100 112.100 117.763 -5.663 18547 18335 1 19 . 1 1 58 58 ASN HA H 48 3.780 3.780 4.655 -0.875 18547 18336 1 19 . 1 1 58 58 ASN C C 48 175.300 175.300 176.266 -0.966 18547 18337 1 19 . 1 1 58 58 ASN CA C 48 54.400 54.400 54.393 0.007 18547 18338 1 19 . 1 1 58 58 ASN CB C 48 38.200 38.200 37.863 0.337 18547 18339 1 19 . 1 1 58 58 ASN H H 48 7.440 7.440 7.806 -0.366 18547 18340 1 19 . 1 1 59 59 ARG N N 49 115.600 115.600 118.155 -2.555 18547 18341 1 19 . 1 1 59 59 ARG HA H 49 4.120 4.120 4.286 -0.166 18547 18342 1 19 . 1 1 59 59 ARG C C 49 174.700 174.700 176.013 -1.313 18547 18343 1 19 . 1 1 59 59 ARG CA C 49 55.900 55.900 56.726 -0.826 18547 18344 1 19 . 1 1 59 59 ARG CB C 49 29.900 29.900 30.247 -0.347 18547 18345 1 19 . 1 1 59 59 ARG H H 49 7.370 7.370 7.340 0.030 18547 18346 1 19 . 1 1 60 60 TRP N N 50 112.500 112.500 114.259 -1.759 18547 18347 1 19 . 1 1 60 60 TRP HA H 50 4.860 4.860 4.917 -0.057 18547 18348 1 19 . 1 1 60 60 TRP C C 50 173.400 173.400 173.986 -0.586 18547 18349 1 19 . 1 1 60 60 TRP CA C 50 55.800 55.800 56.623 -0.823 18547 18350 1 19 . 1 1 60 60 TRP CB C 50 31.500 31.500 31.351 0.149 18547 18351 1 19 . 1 1 60 60 TRP H H 50 6.860 6.860 7.539 -0.679 18547 18352 1 19 . 1 1 61 61 PHE N N 51 126.400 126.400 119.351 7.049 18547 18353 1 19 . 1 1 61 61 PHE HA H 51 4.690 4.690 4.797 -0.107 18547 18354 1 19 . 1 1 61 61 PHE C C 51 173.000 173.000 173.383 -0.383 18547 18355 1 19 . 1 1 61 61 PHE CA C 51 55.000 55.000 56.513 -1.513 18547 18356 1 19 . 1 1 61 61 PHE CB C 51 37.600 37.600 41.651 -4.051 18547 18357 1 19 . 1 1 61 61 PHE H H 51 7.830 7.830 7.765 0.065 18547 18358 1 19 . 1 1 62 62 ILE N N 52 126.800 126.800 119.714 7.086 18547 18359 1 19 . 1 1 62 62 ILE HA H 52 3.760 3.760 4.142 -0.382 18547 18360 1 19 . 1 1 62 62 ILE C C 52 172.600 172.600 175.033 -2.433 18547 18361 1 19 . 1 1 62 62 ILE CA C 52 59.900 59.900 59.729 0.171 18547 18362 1 19 . 1 1 62 62 ILE CB C 52 41.600 41.600 40.312 1.288 18547 18363 1 19 . 1 1 62 62 ILE H H 52 6.010 6.010 7.555 -1.545 18547 18364 1 19 . 1 1 63 63 GLU N N 53 124.400 124.400 124.742 -0.342 18547 18365 1 19 . 1 1 63 63 GLU HA H 53 3.850 3.850 4.342 -0.492 18547 18366 1 19 . 1 1 63 63 GLU CA C 53 54.800 54.800 53.969 0.831 18547 18367 1 19 . 1 1 63 63 GLU CB C 53 31.700 31.700 28.712 2.988 18547 18368 1 19 . 1 1 63 63 GLU H H 53 8.280 8.280 8.162 0.118 18547 18369 1 19 . 1 1 64 64 PRO HA H 54 4.920 4.920 4.611 0.309 18547 18370 1 19 . 1 1 64 64 PRO C C 54 175.500 175.500 176.051 -0.551 18547 18371 1 19 . 1 1 64 64 PRO CA C 54 62.000 62.000 62.412 -0.412 18547 18372 1 19 . 1 1 64 64 PRO CB C 54 31.800 31.800 31.754 0.046 18547 18373 1 19 . 1 1 65 65 LYS N N 55 120.200 120.200 125.982 -5.782 18547 18374 1 19 . 1 1 65 65 LYS HA H 55 4.780 4.780 4.334 0.446 18547 18375 1 19 . 1 1 65 65 LYS C C 55 176.000 176.000 176.147 -0.147 18547 18376 1 19 . 1 1 65 65 LYS CA C 55 54.200 54.200 55.708 -1.508 18547 18377 1 19 . 1 1 65 65 LYS CB C 55 35.300 35.300 31.160 4.140 18547 18378 1 19 . 1 1 65 65 LYS H H 55 8.370 8.370 8.444 -0.074 18547 18379 1 19 . 1 1 66 66 GLY N N 56 109.400 109.400 111.350 -1.950 18547 18380 1 19 . 1 1 66 66 GLY C C 56 171.400 171.400 173.362 -1.962 18547 18381 1 19 . 1 1 66 66 GLY CA C 56 45.400 45.400 45.681 -0.281 18547 18382 1 19 . 1 1 66 66 GLY H H 56 8.640 8.640 7.612 1.028 18547 18383 1 19 . 1 1 67 67 ASP N N 57 123.800 123.800 120.585 3.215 18547 18384 1 19 . 1 1 67 67 ASP HA H 57 4.900 4.900 4.525 0.375 18547 18385 1 19 . 1 1 67 67 ASP C C 57 175.600 175.600 177.210 -1.610 18547 18386 1 19 . 1 1 67 67 ASP CA C 57 52.400 52.400 54.902 -2.502 18547 18387 1 19 . 1 1 67 67 ASP CB C 57 40.700 40.700 41.458 -0.758 18547 18388 1 19 . 1 1 67 67 ASP H H 57 7.790 7.790 8.474 -0.684 18547 18389 1 19 . 1 1 68 68 LEU N N 58 122.800 122.800 117.576 5.224 18547 18390 1 19 . 1 1 68 68 LEU HA H 58 4.270 4.270 3.994 0.276 18547 18391 1 19 . 1 1 68 68 LEU C C 58 173.700 173.700 174.977 -1.277 18547 18392 1 19 . 1 1 68 68 LEU CA C 58 54.500 54.500 55.647 -1.147 18547 18393 1 19 . 1 1 68 68 LEU CB C 58 38.300 38.300 39.546 -1.246 18547 18394 1 19 . 1 1 68 68 LEU H H 58 8.330 8.330 8.212 0.118 18547 18395 1 19 . 1 1 69 69 ARG N N 59 121.800 121.800 115.013 6.787 18547 18396 1 19 . 1 1 69 69 ARG HA H 59 4.710 4.710 4.670 0.040 18547 18397 1 19 . 1 1 69 69 ARG CA C 59 54.100 54.100 54.105 -0.005 18547 18398 1 19 . 1 1 69 69 ARG CB C 59 31.800 31.800 32.500 -0.700 18547 18399 1 19 . 1 1 69 69 ARG H H 59 8.120 8.120 7.607 0.513 18547 18400 1 19 . 1 1 70 70 GLU N N 60 122.800 122.800 123.067 -0.267 18547 18401 1 19 . 1 1 70 70 GLU HA H 60 3.870 3.870 3.873 -0.003 18547 18402 1 19 . 1 1 70 70 GLU C C 60 177.200 177.200 177.445 -0.245 18547 18403 1 19 . 1 1 70 70 GLU CA C 60 60.000 60.000 58.239 1.761 18547 18404 1 19 . 1 1 70 70 GLU CB C 60 30.200 30.200 29.571 0.629 18547 18405 1 19 . 1 1 70 70 GLU H H 60 9.130 9.130 8.472 0.658 18547 18406 1 19 . 1 1 71 71 GLY N N 61 117.100 117.100 115.164 1.936 18547 18407 1 19 . 1 1 71 71 GLY C C 61 174.900 174.900 174.143 0.757 18547 18408 1 19 . 1 1 71 71 GLY CA C 61 45.600 45.600 44.819 0.781 18547 18409 1 19 . 1 1 71 71 GLY H H 61 8.710 8.710 8.649 0.061 18547 18410 1 19 . 1 1 72 72 GLY N N 62 110.300 110.300 108.686 1.614 18547 18411 1 19 . 1 1 72 72 GLY C C 62 174.200 174.200 172.534 1.666 18547 18412 1 19 . 1 1 72 72 GLY CA C 62 43.400 43.400 43.401 -0.001 18547 18413 1 19 . 1 1 72 72 GLY H H 62 8.760 8.760 8.169 0.591 18547 18414 1 19 . 1 1 73 73 ASN N N 63 117.800 117.800 116.009 1.791 18547 18415 1 19 . 1 1 73 73 ASN HA H 63 5.490 5.490 5.290 0.200 18547 18416 1 19 . 1 1 73 73 ASN C C 63 171.400 171.400 173.852 -2.452 18547 18417 1 19 . 1 1 73 73 ASN CA C 63 52.900 52.900 51.713 1.187 18547 18418 1 19 . 1 1 73 73 ASN CB C 63 41.500 41.500 41.774 -0.274 18547 18419 1 19 . 1 1 73 73 ASN H H 63 8.890 8.890 8.348 0.542 18547 18420 1 19 . 1 1 74 74 PHE N N 64 113.500 113.500 112.322 1.178 18547 18421 1 19 . 1 1 74 74 PHE HA H 64 5.500 5.500 4.927 0.573 18547 18422 1 19 . 1 1 74 74 PHE C C 64 173.200 173.200 172.424 0.776 18547 18423 1 19 . 1 1 74 74 PHE CA C 64 55.900 55.900 56.669 -0.769 18547 18424 1 19 . 1 1 74 74 PHE CB C 64 44.600 44.600 41.984 2.616 18547 18425 1 19 . 1 1 74 74 PHE H H 64 8.700 8.700 8.396 0.304 18547 18426 1 19 . 1 1 75 75 ALA N N 65 122.200 122.200 124.966 -2.766 18547 18427 1 19 . 1 1 75 75 ALA HA H 65 4.350 4.350 4.609 -0.259 18547 18428 1 19 . 1 1 75 75 ALA C C 65 176.000 176.000 175.182 0.818 18547 18429 1 19 . 1 1 75 75 ALA CA C 65 52.500 52.500 50.658 1.842 18547 18430 1 19 . 1 1 75 75 ALA CB C 65 21.800 21.800 21.288 0.512 18547 18431 1 19 . 1 1 75 75 ALA H H 65 8.690 8.690 8.419 0.271 18547 18432 1 19 . 1 1 76 76 LEU N N 66 123.800 123.800 124.871 -1.071 18547 18433 1 19 . 1 1 76 76 LEU HA H 66 4.520 4.520 4.580 -0.060 18547 18434 1 19 . 1 1 76 76 LEU C C 66 175.800 175.800 177.937 -2.137 18547 18435 1 19 . 1 1 76 76 LEU CA C 66 52.500 52.500 53.658 -1.158 18547 18436 1 19 . 1 1 76 76 LEU CB C 66 42.400 42.400 42.513 -0.113 18547 18437 1 19 . 1 1 76 76 LEU H H 66 8.350 8.350 7.981 0.369 18547 18438 1 19 . 1 1 77 77 GLN N N 67 127.400 127.400 122.893 4.507 18547 18439 1 19 . 1 1 77 77 GLN HA H 67 3.900 3.900 3.970 -0.070 18547 18440 1 19 . 1 1 77 77 GLN C C 67 176.600 176.600 177.154 -0.554 18547 18441 1 19 . 1 1 77 77 GLN CA C 67 57.800 57.800 58.214 -0.414 18547 18442 1 19 . 1 1 77 77 GLN CB C 67 28.000 28.000 28.517 -0.517 18547 18443 1 19 . 1 1 77 77 GLN H H 67 8.590 8.590 8.675 -0.085 18547 18444 1 19 . 1 1 78 78 GLY N N 68 114.800 114.800 103.834 10.966 18547 18445 1 19 . 1 1 78 78 GLY C C 68 173.700 173.700 174.064 -0.364 18547 18446 1 19 . 1 1 78 78 GLY CA C 68 45.700 45.700 45.186 0.514 18547 18447 1 19 . 1 1 78 78 GLY H H 68 8.920 8.920 8.136 0.784 18547 18448 1 19 . 1 1 79 79 ASN N N 69 124.000 124.000 119.482 4.518 18547 18449 1 19 . 1 1 79 79 ASN HA H 69 4.600 4.600 4.843 -0.243 18547 18450 1 19 . 1 1 79 79 ASN C C 69 173.300 173.300 173.967 -0.667 18547 18451 1 19 . 1 1 79 79 ASN CA C 69 52.900 52.900 54.214 -1.314 18547 18452 1 19 . 1 1 79 79 ASN CB C 69 41.600 41.600 39.510 2.090 18547 18453 1 19 . 1 1 79 79 ASN H H 69 8.360 8.360 8.135 0.225 18547 18454 1 19 . 1 1 80 80 ALA N N 70 127.200 127.200 118.614 8.586 18547 18455 1 19 . 1 1 80 80 ALA HA H 70 4.170 4.170 4.452 -0.282 18547 18456 1 19 . 1 1 80 80 ALA C C 70 174.500 174.500 175.127 -0.627 18547 18457 1 19 . 1 1 80 80 ALA CA C 70 52.500 52.500 51.050 1.450 18547 18458 1 19 . 1 1 80 80 ALA CB C 70 18.600 18.600 21.224 -2.624 18547 18459 1 19 . 1 1 80 80 ALA H H 70 8.930 8.930 7.704 1.226 18547 18460 1 19 . 1 1 81 81 SER N N 71 111.000 111.000 114.412 -3.412 18547 18461 1 19 . 1 1 81 81 SER HA H 71 4.170 4.170 5.037 -0.867 18547 18462 1 19 . 1 1 81 81 SER C C 71 170.900 170.900 173.459 -2.559 18547 18463 1 19 . 1 1 81 81 SER CA C 71 56.300 56.300 56.522 -0.222 18547 18464 1 19 . 1 1 81 81 SER CB C 71 66.600 66.600 66.606 -0.006 18547 18465 1 19 . 1 1 81 81 SER H H 71 7.980 7.980 7.926 0.054 18547 18466 1 19 . 1 1 82 82 GLY N N 72 102.700 102.700 108.666 -5.966 18547 18467 1 19 . 1 1 82 82 GLY C C 72 171.700 171.700 171.556 0.144 18547 18468 1 19 . 1 1 82 82 GLY CA C 72 46.200 46.200 45.341 0.859 18547 18469 1 19 . 1 1 82 82 GLY H H 72 6.940 6.940 7.829 -0.889 18547 18470 1 19 . 1 1 83 83 ASP N N 73 117.900 117.900 118.579 -0.679 18547 18471 1 19 . 1 1 83 83 ASP HA H 73 5.430 5.430 5.369 0.061 18547 18472 1 19 . 1 1 83 83 ASP C C 73 176.100 176.100 175.096 1.004 18547 18473 1 19 . 1 1 83 83 ASP CA C 73 52.700 52.700 53.122 -0.422 18547 18474 1 19 . 1 1 83 83 ASP CB C 73 43.600 43.600 45.827 -2.227 18547 18475 1 19 . 1 1 83 83 ASP H H 73 8.770 8.770 8.074 0.696 18547 18476 1 19 . 1 1 84 84 ILE N N 74 120.200 120.200 120.054 0.146 18547 18477 1 19 . 1 1 84 84 ILE HA H 74 4.530 4.530 4.544 -0.014 18547 18478 1 19 . 1 1 84 84 ILE C C 74 175.600 175.600 176.689 -1.089 18547 18479 1 19 . 1 1 84 84 ILE CA C 74 61.700 61.700 60.239 1.461 18547 18480 1 19 . 1 1 84 84 ILE CB C 74 36.700 36.700 37.833 -1.133 18547 18481 1 19 . 1 1 84 84 ILE H H 74 8.060 8.060 8.719 -0.659 18547 18482 1 19 . 1 1 85 85 LEU N N 75 130.400 130.400 129.678 0.722 18547 18483 1 19 . 1 1 85 85 LEU HA H 75 4.330 4.330 4.300 0.030 18547 18484 1 19 . 1 1 85 85 LEU C C 75 178.100 178.100 176.933 1.167 18547 18485 1 19 . 1 1 85 85 LEU CA C 75 57.000 57.000 56.847 0.153 18547 18486 1 19 . 1 1 85 85 LEU CB C 75 42.000 42.000 42.451 -0.451 18547 18487 1 19 . 1 1 85 85 LEU H H 75 8.710 8.710 8.639 0.071 18547 18488 1 19 . 1 1 86 86 ARG N N 76 115.700 115.700 113.688 2.012 18547 18489 1 19 . 1 1 86 86 ARG HA H 76 4.840 4.840 4.635 0.205 18547 18490 1 19 . 1 1 86 86 ARG C C 76 174.900 174.900 173.674 1.226 18547 18491 1 19 . 1 1 86 86 ARG CA C 76 54.700 54.700 55.275 -0.575 18547 18492 1 19 . 1 1 86 86 ARG CB C 76 33.900 33.900 32.003 1.897 18547 18493 1 19 . 1 1 86 86 ARG H H 76 8.130 8.130 7.835 0.295 18547 18494 1 19 . 1 1 87 87 CYS N N 77 127.100 127.100 120.164 6.936 18547 18495 1 19 . 1 1 87 87 CYS HA H 77 5.130 5.130 5.062 0.068 18547 18496 1 19 . 1 1 87 87 CYS C C 77 171.700 171.700 174.024 -2.324 18547 18497 1 19 . 1 1 87 87 CYS CA C 77 54.600 54.600 57.694 -3.095 18547 18498 1 19 . 1 1 87 87 CYS CB C 77 33.000 33.000 30.458 2.542 18547 18499 1 19 . 1 1 87 87 CYS H H 77 10.630 10.630 9.058 1.572 18547 18500 1 19 . 1 1 88 88 GLU N N 78 128.200 128.200 125.565 2.635 18547 18501 1 19 . 1 1 88 88 GLU HA H 78 4.950 4.950 4.791 0.159 18547 18502 1 19 . 1 1 88 88 GLU CA C 78 52.100 52.100 53.491 -1.391 18547 18503 1 19 . 1 1 88 88 GLU CB C 78 30.500 30.500 30.833 -0.333 18547 18504 1 19 . 1 1 88 88 GLU H H 78 9.460 9.460 8.792 0.668 18547 18505 1 19 . 1 1 89 89 PRO HA H 79 2.780 2.780 3.938 -1.158 18547 18506 1 19 . 1 1 89 89 PRO CA C 79 60.500 60.500 61.463 -0.963 18547 18507 1 19 . 1 1 89 89 PRO CB C 79 31.600 31.600 31.582 0.017 18547 18508 1 19 . 1 1 90 90 PRO HA H 80 2.250 2.250 2.963 -0.713 18547 18509 1 19 . 1 1 90 90 PRO C C 80 171.400 171.400 175.714 -4.314 18547 18510 1 19 . 1 1 90 90 PRO CA C 80 63.700 63.700 61.349 2.350 18547 18511 1 19 . 1 1 90 90 PRO CB C 80 30.500 30.500 32.222 -1.722 18547 18512 1 19 . 1 1 91 91 ARG N N 81 113.700 113.700 119.903 -6.203 18547 18513 1 19 . 1 1 91 91 ARG HA H 81 4.700 4.700 3.983 0.717 18547 18514 1 19 . 1 1 91 91 ARG C C 81 176.500 176.500 175.177 1.323 18547 18515 1 19 . 1 1 91 91 ARG CA C 81 57.400 57.400 57.268 0.132 18547 18516 1 19 . 1 1 91 91 ARG CB C 81 34.200 34.200 31.463 2.736 18547 18517 1 19 . 1 1 91 91 ARG H H 81 7.640 7.640 7.552 0.088 18547 18518 1 19 . 1 1 92 92 ARG N N 82 121.000 121.000 112.924 8.076 18547 18519 1 19 . 1 1 92 92 ARG HA H 82 5.700 5.700 5.428 0.272 18547 18520 1 19 . 1 1 92 92 ARG C C 82 172.700 172.700 173.862 -1.162 18547 18521 1 19 . 1 1 92 92 ARG CA C 82 55.900 55.900 54.640 1.260 18547 18522 1 19 . 1 1 92 92 ARG CB C 82 34.100 34.100 34.150 -0.050 18547 18523 1 19 . 1 1 92 92 ARG H H 82 7.710 7.710 7.953 -0.243 18547 18524 1 19 . 1 1 93 93 LEU N N 83 130.800 130.800 121.191 9.609 18547 18525 1 19 . 1 1 93 93 LEU HA H 83 5.250 5.250 4.980 0.270 18547 18526 1 19 . 1 1 93 93 LEU C C 83 174.000 174.000 174.796 -0.796 18547 18527 1 19 . 1 1 93 93 LEU CA C 83 53.700 53.700 54.312 -0.612 18547 18528 1 19 . 1 1 93 93 LEU CB C 83 47.100 47.100 47.022 0.078 18547 18529 1 19 . 1 1 93 93 LEU H H 83 9.080 9.080 8.882 0.198 18547 18530 1 19 . 1 1 94 94 THR N N 84 124.200 124.200 122.302 1.898 18547 18531 1 19 . 1 1 94 94 THR HA H 84 5.340 5.340 5.152 0.188 18547 18532 1 19 . 1 1 94 94 THR C C 84 174.100 174.100 173.473 0.627 18547 18533 1 19 . 1 1 94 94 THR CA C 84 62.700 62.700 62.198 0.502 18547 18534 1 19 . 1 1 94 94 THR CB C 84 69.600 69.600 70.358 -0.758 18547 18535 1 19 . 1 1 94 94 THR H H 84 9.310 9.310 8.813 0.497 18547 18536 1 19 . 1 1 95 95 ILE N N 85 121.600 121.600 123.008 -1.408 18547 18537 1 19 . 1 1 95 95 ILE HA H 85 5.630 5.630 5.065 0.565 18547 18538 1 19 . 1 1 95 95 ILE C C 85 175.000 175.000 173.620 1.380 18547 18539 1 19 . 1 1 95 95 ILE CA C 85 59.300 59.300 59.065 0.235 18547 18540 1 19 . 1 1 95 95 ILE CB C 85 40.900 40.900 42.361 -1.461 18547 18541 1 19 . 1 1 95 95 ILE H H 85 9.700 9.700 9.189 0.511 18547 18542 1 19 . 1 1 96 96 SER N N 86 117.900 117.900 118.675 -0.775 18547 18543 1 19 . 1 1 96 96 SER HA H 86 5.270 5.270 5.501 -0.231 18547 18544 1 19 . 1 1 96 96 SER C C 86 172.200 172.200 173.855 -1.655 18547 18545 1 19 . 1 1 96 96 SER CA C 86 57.600 57.600 56.909 0.691 18547 18546 1 19 . 1 1 96 96 SER CB C 86 65.700 65.700 65.150 0.550 18547 18547 1 19 . 1 1 96 96 SER H H 86 9.290 9.290 8.652 0.638 18547 18548 1 19 . 1 1 97 97 TRP N N 87 120.000 120.000 128.782 -8.782 18547 18549 1 19 . 1 1 97 97 TRP HA H 87 5.130 5.130 5.123 0.007 18547 18550 1 19 . 1 1 97 97 TRP C C 87 175.500 175.500 173.528 1.972 18547 18551 1 19 . 1 1 97 97 TRP CA C 87 57.900 57.900 56.478 1.422 18547 18552 1 19 . 1 1 97 97 TRP CB C 87 31.500 31.500 32.174 -0.674 18547 18553 1 19 . 1 1 97 97 TRP H H 87 7.790 7.790 8.919 -1.129 18547 18554 1 19 . 1 1 98 98 VAL N N 88 132.200 132.200 129.966 2.234 18547 18555 1 19 . 1 1 98 98 VAL HA H 88 4.460 4.460 4.285 0.175 18547 18556 1 19 . 1 1 98 98 VAL C C 88 175.100 175.100 174.095 1.005 18547 18557 1 19 . 1 1 98 98 VAL CA C 88 62.000 62.000 61.481 0.519 18547 18558 1 19 . 1 1 98 98 VAL CB C 88 32.500 32.500 30.859 1.641 18547 18559 1 19 . 1 1 98 98 VAL H H 88 9.620 9.620 8.234 1.386 18547 18560 1 19 . 1 1 99 99 TYR N N 89 130.300 130.300 128.837 1.463 18547 18561 1 19 . 1 1 99 99 TYR HA H 89 4.440 4.440 4.621 -0.181 18547 18562 1 19 . 1 1 99 99 TYR C C 89 173.900 173.900 175.120 -1.220 18547 18563 1 19 . 1 1 99 99 TYR CA C 89 56.800 56.800 56.332 0.468 18547 18564 1 19 . 1 1 99 99 TYR CB C 89 42.100 42.100 41.605 0.495 18547 18565 1 19 . 1 1 99 99 TYR H H 89 9.670 9.670 8.271 1.399 18547 18566 1 19 . 1 1 100 100 GLU N N 90 127.100 127.100 124.368 2.732 18547 18567 1 19 . 1 1 100 100 GLU HA H 90 3.940 3.940 4.052 -0.112 18547 18568 1 19 . 1 1 100 100 GLU C C 90 176.700 176.700 176.905 -0.205 18547 18569 1 19 . 1 1 100 100 GLU CA C 90 58.300 58.300 57.288 1.012 18547 18570 1 19 . 1 1 100 100 GLU CB C 90 29.200 29.200 28.546 0.655 18547 18571 1 19 . 1 1 100 100 GLU H H 90 8.080 8.080 8.275 -0.195 18547 18572 1 19 . 1 1 101 101 GLY N N 91 113.100 113.100 112.423 0.677 18547 18573 1 19 . 1 1 101 101 GLY C C 91 173.900 173.900 174.185 -0.285 18547 18574 1 19 . 1 1 101 101 GLY CA C 91 45.200 45.200 45.316 -0.116 18547 18575 1 19 . 1 1 101 101 GLY H H 91 8.850 8.850 8.597 0.253 18547 18576 1 19 . 1 1 102 102 LYS N N 92 120.100 120.100 120.880 -0.780 18547 18577 1 19 . 1 1 102 102 LYS HA H 92 4.990 4.990 4.924 0.066 18547 18578 1 19 . 1 1 102 102 LYS CA C 92 52.500 52.500 52.798 -0.298 18547 18579 1 19 . 1 1 102 102 LYS CB C 92 33.200 33.200 33.539 -0.339 18547 18580 1 19 . 1 1 102 102 LYS H H 92 8.270 8.270 7.720 0.550 18547 18581 1 19 . 1 1 103 103 PRO HA H 93 4.620 4.620 4.516 0.104 18547 18582 1 19 . 1 1 103 103 PRO C C 93 176.700 176.700 176.501 0.199 18547 18583 1 19 . 1 1 103 103 PRO CA C 93 62.400 62.400 62.711 -0.311 18547 18584 1 19 . 1 1 103 103 PRO CB C 93 31.400 31.400 32.166 -0.766 18547 18585 1 19 . 1 1 104 104 ASP N N 94 124.500 124.500 121.846 2.654 18547 18586 1 19 . 1 1 104 104 ASP HA H 94 4.860 4.860 4.655 0.205 18547 18587 1 19 . 1 1 104 104 ASP C C 94 177.100 177.100 176.261 0.839 18547 18588 1 19 . 1 1 104 104 ASP CA C 94 55.900 55.900 54.175 1.725 18547 18589 1 19 . 1 1 104 104 ASP CB C 94 40.500 40.500 40.177 0.323 18547 18590 1 19 . 1 1 104 104 ASP H H 94 8.850 8.850 8.643 0.207 18547 18591 1 19 . 1 1 105 105 SER N N 95 118.600 118.600 120.253 -1.653 18547 18592 1 19 . 1 1 105 105 SER HA H 95 5.280 5.280 4.499 0.781 18547 18593 1 19 . 1 1 105 105 SER C C 95 173.700 173.700 173.765 -0.065 18547 18594 1 19 . 1 1 105 105 SER CA C 95 57.900 57.900 58.617 -0.717 18547 18595 1 19 . 1 1 105 105 SER CB C 95 65.600 65.600 64.415 1.185 18547 18596 1 19 . 1 1 105 105 SER H H 95 9.260 9.260 8.474 0.786 18547 18597 1 19 . 1 1 106 106 GLU N N 96 124.100 124.100 125.701 -1.601 18547 18598 1 19 . 1 1 106 106 GLU HA H 96 5.180 5.180 4.618 0.562 18547 18599 1 19 . 1 1 106 106 GLU C C 96 172.400 172.400 175.234 -2.834 18547 18600 1 19 . 1 1 106 106 GLU CA C 96 57.200 57.200 55.436 1.764 18547 18601 1 19 . 1 1 106 106 GLU CB C 96 36.100 36.100 30.838 5.262 18547 18602 1 19 . 1 1 106 106 GLU H H 96 8.620 8.620 8.582 0.038 18547 18603 1 19 . 1 1 107 107 VAL N N 97 128.100 128.100 127.824 0.276 18547 18604 1 19 . 1 1 107 107 VAL HA H 97 4.770 4.770 4.858 -0.088 18547 18605 1 19 . 1 1 107 107 VAL C C 97 173.100 173.100 174.988 -1.888 18547 18606 1 19 . 1 1 107 107 VAL CA C 97 60.100 60.100 60.936 -0.836 18547 18607 1 19 . 1 1 107 107 VAL CB C 97 34.200 34.200 34.198 0.002 18547 18608 1 19 . 1 1 107 107 VAL H H 97 9.180 9.180 8.919 0.261 18547 18609 1 19 . 1 1 108 108 GLU N N 98 126.200 126.200 123.878 2.322 18547 18610 1 19 . 1 1 108 108 GLU HA H 98 5.580 5.580 5.094 0.486 18547 18611 1 19 . 1 1 108 108 GLU C C 98 172.100 172.100 174.277 -2.177 18547 18612 1 19 . 1 1 108 108 GLU CA C 98 54.200 54.200 54.460 -0.260 18547 18613 1 19 . 1 1 108 108 GLU CB C 98 35.200 35.200 34.378 0.822 18547 18614 1 19 . 1 1 108 108 GLU H H 98 9.300 9.300 8.953 0.347 18547 18615 1 19 . 1 1 109 109 LEU N N 99 128.600 128.600 124.523 4.077 18547 18616 1 19 . 1 1 109 109 LEU HA H 99 5.080 5.080 4.653 0.427 18547 18617 1 19 . 1 1 109 109 LEU C C 99 175.100 175.100 174.700 0.400 18547 18618 1 19 . 1 1 109 109 LEU CA C 99 52.700 52.700 54.039 -1.339 18547 18619 1 19 . 1 1 109 109 LEU CB C 99 46.400 46.400 44.488 1.912 18547 18620 1 19 . 1 1 109 109 LEU H H 99 9.330 9.330 8.692 0.638 18547 18621 1 19 . 1 1 110 110 ARG N N 100 124.700 124.700 126.024 -1.324 18547 18622 1 19 . 1 1 110 110 ARG HA H 100 5.390 5.390 4.881 0.509 18547 18623 1 19 . 1 1 110 110 ARG C C 100 175.400 175.400 174.946 0.454 18547 18624 1 19 . 1 1 110 110 ARG CA C 100 54.600 54.600 54.412 0.188 18547 18625 1 19 . 1 1 110 110 ARG CB C 100 34.100 34.100 32.832 1.268 18547 18626 1 19 . 1 1 110 110 ARG H H 100 9.430 9.430 9.061 0.369 18547 18627 1 19 . 1 1 111 111 LEU N N 101 122.900 122.900 123.043 -0.143 18547 18628 1 19 . 1 1 111 111 LEU HA H 101 5.620 5.620 5.385 0.235 18547 18629 1 19 . 1 1 111 111 LEU C C 101 177.100 177.100 175.326 1.774 18547 18630 1 19 . 1 1 111 111 LEU CA C 101 53.000 53.000 53.708 -0.708 18547 18631 1 19 . 1 1 111 111 LEU CB C 101 44.900 44.900 46.187 -1.287 18547 18632 1 19 . 1 1 111 111 LEU H H 101 9.120 9.120 8.660 0.460 18547 18633 1 19 . 1 1 112 112 SER N N 102 113.800 113.800 116.785 -2.985 18547 18634 1 19 . 1 1 112 112 SER HA H 102 4.690 4.690 4.696 -0.006 18547 18635 1 19 . 1 1 112 112 SER C C 102 172.700 172.700 172.677 0.023 18547 18636 1 19 . 1 1 112 112 SER CA C 102 57.000 57.000 56.755 0.245 18547 18637 1 19 . 1 1 112 112 SER CB C 102 65.700 65.700 65.306 0.394 18547 18638 1 19 . 1 1 112 112 SER H H 102 8.770 8.770 8.368 0.402 18547 18639 1 19 . 1 1 113 113 GLU N N 103 123.400 123.400 127.257 -3.857 18547 18640 1 19 . 1 1 113 113 GLU HA H 103 4.440 4.440 4.466 -0.026 18547 18641 1 19 . 1 1 113 113 GLU C C 103 176.600 176.600 175.893 0.707 18547 18642 1 19 . 1 1 113 113 GLU CA C 103 57.500 57.500 56.046 1.454 18547 18643 1 19 . 1 1 113 113 GLU CB C 103 30.200 30.200 29.847 0.353 18547 18644 1 19 . 1 1 113 113 GLU H H 103 9.200 9.200 8.823 0.377 18547 18645 1 19 . 1 1 114 114 GLU N N 104 126.500 126.500 128.231 -1.731 18547 18646 1 19 . 1 1 114 114 GLU HA H 104 4.450 4.450 4.493 -0.043 18547 18647 1 19 . 1 1 114 114 GLU C C 104 175.600 175.600 176.096 -0.496 18547 18648 1 19 . 1 1 114 114 GLU CA C 104 55.700 55.700 55.215 0.485 18547 18649 1 19 . 1 1 114 114 GLU CB C 104 31.300 31.300 30.539 0.761 18547 18650 1 19 . 1 1 114 114 GLU H H 104 8.110 8.110 8.192 -0.082 18547 18651 1 19 . 1 1 115 115 GLY N N 105 118.000 118.000 116.941 1.059 18547 18652 1 19 . 1 1 115 115 GLY C C 105 174.700 174.700 173.999 0.701 18547 18653 1 19 . 1 1 115 115 GLY CA C 105 47.100 47.100 45.989 1.111 18547 18654 1 19 . 1 1 115 115 GLY H H 105 9.030 9.030 8.660 0.370 18547 18655 1 19 . 1 1 116 116 ASP N N 106 126.200 126.200 126.316 -0.116 18547 18656 1 19 . 1 1 116 116 ASP HA H 106 4.750 4.750 4.752 -0.002 18547 18657 1 19 . 1 1 116 116 ASP C C 106 175.600 175.600 175.533 0.067 18547 18658 1 19 . 1 1 116 116 ASP CA C 106 54.300 54.300 53.709 0.591 18547 18659 1 19 . 1 1 116 116 ASP CB C 106 40.800 40.800 40.686 0.114 18547 18660 1 19 . 1 1 116 116 ASP H H 106 8.800 8.800 8.547 0.253 18547 18661 1 19 . 1 1 117 117 GLY N N 107 109.500 109.500 106.122 3.378 18547 18662 1 19 . 1 1 117 117 GLY C C 107 174.400 174.400 172.661 1.739 18547 18663 1 19 . 1 1 117 117 GLY CA C 107 44.800 44.800 45.212 -0.412 18547 18664 1 19 . 1 1 117 117 GLY H H 107 8.040 8.040 7.208 0.832 18547 18665 1 19 . 1 1 118 118 THR N N 108 120.400 120.400 115.685 4.715 18547 18666 1 19 . 1 1 118 118 THR HA H 108 4.970 4.970 5.156 -0.186 18547 18667 1 19 . 1 1 118 118 THR C C 108 173.000 173.000 172.808 0.192 18547 18668 1 19 . 1 1 118 118 THR CA C 108 63.500 63.500 61.890 1.610 18547 18669 1 19 . 1 1 118 118 THR CB C 108 73.000 73.000 72.129 0.871 18547 18670 1 19 . 1 1 118 118 THR H H 108 9.010 9.010 8.369 0.641 18547 18671 1 19 . 1 1 119 119 LEU N N 109 129.000 129.000 129.715 -0.715 18547 18672 1 19 . 1 1 119 119 LEU HA H 109 4.790 4.790 4.372 0.418 18547 18673 1 19 . 1 1 119 119 LEU C C 109 173.500 173.500 174.639 -1.139 18547 18674 1 19 . 1 1 119 119 LEU CA C 109 54.300 54.300 54.059 0.240 18547 18675 1 19 . 1 1 119 119 LEU CB C 109 42.900 42.900 42.943 -0.043 18547 18676 1 19 . 1 1 119 119 LEU H H 109 9.410 9.410 8.686 0.724 18547 18677 1 19 . 1 1 120 120 LEU N N 110 132.200 132.200 128.562 3.638 18547 18678 1 19 . 1 1 120 120 LEU HA H 110 4.820 4.820 4.835 -0.015 18547 18679 1 19 . 1 1 120 120 LEU C C 110 174.100 174.100 175.007 -0.907 18547 18680 1 19 . 1 1 120 120 LEU CA C 110 54.900 54.900 54.339 0.561 18547 18681 1 19 . 1 1 120 120 LEU CB C 110 45.300 45.300 42.978 2.322 18547 18682 1 19 . 1 1 120 120 LEU H H 110 9.430 9.430 8.532 0.898 18547 18683 1 19 . 1 1 121 121 GLU N N 111 125.800 125.800 128.260 -2.460 18547 18684 1 19 . 1 1 121 121 GLU HA H 111 5.530 5.530 4.834 0.696 18547 18685 1 19 . 1 1 121 121 GLU C C 111 173.500 173.500 173.932 -0.432 18547 18686 1 19 . 1 1 121 121 GLU CA C 111 54.500 54.500 54.915 -0.415 18547 18687 1 19 . 1 1 121 121 GLU CB C 111 33.100 33.100 32.783 0.317 18547 18688 1 19 . 1 1 121 121 GLU H H 111 8.970 8.970 8.740 0.230 18547 18689 1 19 . 1 1 122 122 LEU N N 112 127.300 127.300 128.917 -1.617 18547 18690 1 19 . 1 1 122 122 LEU HA H 112 5.030 5.030 4.894 0.136 18547 18691 1 19 . 1 1 122 122 LEU C C 112 173.700 173.700 174.181 -0.481 18547 18692 1 19 . 1 1 122 122 LEU CA C 112 53.200 53.200 53.709 -0.509 18547 18693 1 19 . 1 1 122 122 LEU CB C 112 45.400 45.400 45.278 0.122 18547 18694 1 19 . 1 1 122 122 LEU H H 112 8.950 8.950 8.738 0.212 18547 18695 1 19 . 1 1 123 123 GLU N N 113 127.900 127.900 127.982 -0.082 18547 18696 1 19 . 1 1 123 123 GLU HA H 113 5.750 5.750 5.127 0.623 18547 18697 1 19 . 1 1 123 123 GLU C C 113 174.200 174.200 174.584 -0.384 18547 18698 1 19 . 1 1 123 123 GLU CA C 113 52.900 52.900 54.475 -1.575 18547 18699 1 19 . 1 1 123 123 GLU CB C 113 33.300 33.300 32.066 1.234 18547 18700 1 19 . 1 1 123 123 GLU H H 113 9.350 9.350 8.860 0.490 18547 18701 1 19 . 1 1 124 124 HIS N N 114 128.200 128.200 127.138 1.062 18547 18702 1 19 . 1 1 124 124 HIS HA H 114 5.240 5.240 4.571 0.669 18547 18703 1 19 . 1 1 124 124 HIS C C 114 173.900 173.900 172.914 0.986 18547 18704 1 19 . 1 1 124 124 HIS CA C 114 54.300 54.300 54.628 -0.328 18547 18705 1 19 . 1 1 124 124 HIS CB C 114 34.600 34.600 31.718 2.882 18547 18706 1 19 . 1 1 124 124 HIS H H 114 8.770 8.770 8.195 0.575 18547 18707 1 19 . 1 1 125 125 ALA N N 115 128.600 128.600 131.320 -2.720 18547 18708 1 19 . 1 1 125 125 ALA HA H 115 5.150 5.150 5.454 -0.304 18547 18709 1 19 . 1 1 125 125 ALA C C 115 175.400 175.400 175.745 -0.345 18547 18710 1 19 . 1 1 125 125 ALA CA C 115 50.100 50.100 50.321 -0.221 18547 18711 1 19 . 1 1 125 125 ALA CB C 115 22.500 22.500 20.823 1.677 18547 18712 1 19 . 1 1 125 125 ALA H H 115 9.360 9.360 8.437 0.923 18547 18713 1 19 . 1 1 126 126 THR N N 116 115.800 115.800 117.869 -2.069 18547 18714 1 19 . 1 1 126 126 THR HA H 116 4.960 4.960 4.843 0.117 18547 18715 1 19 . 1 1 126 126 THR C C 116 172.200 172.200 175.099 -2.899 18547 18716 1 19 . 1 1 126 126 THR CA C 116 58.800 58.800 59.808 -1.008 18547 18717 1 19 . 1 1 126 126 THR CB C 116 69.200 69.200 71.797 -2.597 18547 18718 1 19 . 1 1 126 126 THR H H 116 8.760 8.760 8.028 0.732 18547 18719 1 19 . 1 1 127 127 THR N N 117 116.000 116.000 120.501 -4.501 18547 18720 1 19 . 1 1 127 127 THR HA H 117 4.390 4.390 4.476 -0.086 18547 18721 1 19 . 1 1 127 127 THR C C 117 174.400 174.400 173.369 1.031 18547 18722 1 19 . 1 1 127 127 THR CA C 117 62.900 62.900 62.936 -0.036 18547 18723 1 19 . 1 1 127 127 THR CB C 117 68.800 68.800 69.123 -0.323 18547 18724 1 19 . 1 1 127 127 THR H H 117 8.460 8.460 8.649 -0.189 18547 18725 1 19 . 1 1 128 128 SER N N 118 116.400 116.400 116.067 0.333 18547 18726 1 19 . 1 1 128 128 SER HA H 118 4.890 4.890 4.738 0.152 18547 18727 1 19 . 1 1 128 128 SER C C 118 174.700 174.700 174.322 0.378 18547 18728 1 19 . 1 1 128 128 SER CA C 118 55.400 55.400 57.234 -1.834 18547 18729 1 19 . 1 1 128 128 SER CB C 118 63.000 63.000 65.513 -2.513 18547 18730 1 19 . 1 1 128 128 SER H H 118 7.730 7.730 7.746 -0.016 18547 18731 1 19 . 1 1 129 129 GLU N N 119 130.300 130.300 125.837 4.463 18547 18732 1 19 . 1 1 129 129 GLU HA H 119 3.940 3.940 4.029 -0.089 18547 18733 1 19 . 1 1 129 129 GLU C C 119 178.400 178.400 178.219 0.181 18547 18734 1 19 . 1 1 129 129 GLU CA C 119 59.900 59.900 59.983 -0.083 18547 18735 1 19 . 1 1 129 129 GLU CB C 119 29.700 29.700 29.203 0.497 18547 18736 1 19 . 1 1 129 129 GLU H H 119 9.000 9.000 9.125 -0.125 18547 18737 1 19 . 1 1 130 130 GLN N N 120 117.300 117.300 119.610 -2.310 18547 18738 1 19 . 1 1 130 130 GLN HA H 120 4.120 4.120 4.118 0.002 18547 18739 1 19 . 1 1 130 130 GLN C C 120 177.900 177.900 178.462 -0.562 18547 18740 1 19 . 1 1 130 130 GLN CA C 120 58.400 58.400 58.665 -0.265 18547 18741 1 19 . 1 1 130 130 GLN CB C 120 28.000 28.000 28.190 -0.190 18547 18742 1 19 . 1 1 130 130 GLN H H 120 8.410 8.410 8.659 -0.249 18547 18743 1 19 . 1 1 131 131 MET N N 121 118.300 118.300 119.360 -1.060 18547 18744 1 19 . 1 1 131 131 MET HA H 121 4.240 4.240 4.313 -0.073 18547 18745 1 19 . 1 1 131 131 MET C C 121 176.400 176.400 177.759 -1.359 18547 18746 1 19 . 1 1 131 131 MET CA C 121 57.300 57.300 58.318 -1.018 18547 18747 1 19 . 1 1 131 131 MET CB C 121 32.400 32.400 32.472 -0.072 18547 18748 1 19 . 1 1 131 131 MET H H 121 7.640 7.640 8.208 -0.568 18547 18749 1 19 . 1 1 132 132 LEU N N 122 118.700 118.700 120.302 -1.602 18547 18750 1 19 . 1 1 132 132 LEU HA H 122 3.630 3.630 3.796 -0.166 18547 18751 1 19 . 1 1 132 132 LEU C C 122 177.100 177.100 179.382 -2.282 18547 18752 1 19 . 1 1 132 132 LEU CA C 122 58.300 58.300 57.774 0.526 18547 18753 1 19 . 1 1 132 132 LEU CB C 122 41.900 41.900 41.713 0.187 18547 18754 1 19 . 1 1 132 132 LEU H H 122 7.470 7.470 7.759 -0.289 18547 18755 1 19 . 1 1 133 133 VAL N N 123 114.600 114.600 118.373 -3.773 18547 18756 1 19 . 1 1 133 133 VAL HA H 123 3.360 3.360 3.550 -0.190 18547 18757 1 19 . 1 1 133 133 VAL C C 123 176.700 176.700 177.803 -1.103 18547 18758 1 19 . 1 1 133 133 VAL CA C 123 66.600 66.600 66.611 -0.011 18547 18759 1 19 . 1 1 133 133 VAL CB C 123 31.800 31.800 31.564 0.235 18547 18760 1 19 . 1 1 133 133 VAL H H 123 7.040 7.040 7.994 -0.954 18547 18761 1 19 . 1 1 134 134 GLU N N 124 116.700 116.700 120.862 -4.162 18547 18762 1 19 . 1 1 134 134 GLU HA H 124 3.900 3.900 3.876 0.024 18547 18763 1 19 . 1 1 134 134 GLU C C 124 180.700 180.700 178.718 1.982 18547 18764 1 19 . 1 1 134 134 GLU CA C 124 59.300 59.300 59.706 -0.406 18547 18765 1 19 . 1 1 134 134 GLU CB C 124 29.900 29.900 29.725 0.175 18547 18766 1 19 . 1 1 134 134 GLU H H 124 7.200 7.200 7.654 -0.454 18547 18767 1 19 . 1 1 135 135 VAL N N 125 114.700 114.700 115.114 -0.414 18547 18768 1 19 . 1 1 135 135 VAL HA H 125 3.930 3.930 3.717 0.213 18547 18769 1 19 . 1 1 135 135 VAL C C 125 177.900 177.900 177.851 0.049 18547 18770 1 19 . 1 1 135 135 VAL CA C 125 63.800 63.800 64.590 -0.790 18547 18771 1 19 . 1 1 135 135 VAL CB C 125 30.400 30.400 30.080 0.320 18547 18772 1 19 . 1 1 135 135 VAL H H 125 8.620 8.620 8.294 0.326 18547 18773 1 19 . 1 1 136 136 GLY N N 126 112.200 112.200 109.291 2.909 18547 18774 1 19 . 1 1 136 136 GLY C C 126 174.800 174.800 175.699 -0.899 18547 18775 1 19 . 1 1 136 136 GLY CA C 126 47.200 47.200 46.776 0.424 18547 18776 1 19 . 1 1 136 136 GLY H H 126 7.750 7.750 7.658 0.092 18547 18777 1 19 . 1 1 137 137 VAL N N 127 119.100 119.100 122.338 -3.238 18547 18778 1 19 . 1 1 137 137 VAL HA H 127 3.510 3.510 3.888 -0.378 18547 18779 1 19 . 1 1 137 137 VAL C C 127 179.100 179.100 177.931 1.169 18547 18780 1 19 . 1 1 137 137 VAL CA C 127 67.400 67.400 66.139 1.261 18547 18781 1 19 . 1 1 137 137 VAL CB C 127 32.500 32.500 31.614 0.886 18547 18782 1 19 . 1 1 137 137 VAL H H 127 7.680 7.680 7.344 0.336 18547 18783 1 19 . 1 1 138 138 GLY N N 128 106.300 106.300 107.177 -0.877 18547 18784 1 19 . 1 1 138 138 GLY C C 128 177.900 177.900 175.657 2.243 18547 18785 1 19 . 1 1 138 138 GLY CA C 128 47.300 47.300 47.050 0.250 18547 18786 1 19 . 1 1 138 138 GLY H H 128 8.210 8.210 8.003 0.207 18547 18787 1 19 . 1 1 139 139 TRP N N 129 122.500 122.500 120.937 1.563 18547 18788 1 19 . 1 1 139 139 TRP HA H 129 4.890 4.890 4.465 0.425 18547 18789 1 19 . 1 1 139 139 TRP C C 129 179.100 179.100 177.982 1.118 18547 18790 1 19 . 1 1 139 139 TRP CA C 129 59.800 59.800 58.830 0.970 18547 18791 1 19 . 1 1 139 139 TRP CB C 129 30.100 30.100 29.819 0.281 18547 18792 1 19 . 1 1 139 139 TRP H H 129 8.880 8.880 7.787 1.093 18547 18793 1 19 . 1 1 140 140 GLU N N 130 119.000 119.000 120.154 -1.154 18547 18794 1 19 . 1 1 140 140 GLU HA H 130 4.020 4.020 4.070 -0.050 18547 18795 1 19 . 1 1 140 140 GLU C C 130 179.300 179.300 179.041 0.259 18547 18796 1 19 . 1 1 140 140 GLU CA C 130 62.900 62.900 59.115 3.785 18547 18797 1 19 . 1 1 140 140 GLU CB C 130 30.600 30.600 29.374 1.226 18547 18798 1 19 . 1 1 140 140 GLU H H 130 8.210 8.210 7.736 0.474 18547 18799 1 19 . 1 1 141 141 MET N N 131 117.100 117.100 118.896 -1.796 18547 18800 1 19 . 1 1 141 141 MET HA H 131 4.330 4.330 4.148 0.182 18547 18801 1 19 . 1 1 141 141 MET C C 131 178.500 178.500 177.834 0.666 18547 18802 1 19 . 1 1 141 141 MET CA C 131 57.700 57.700 59.264 -1.564 18547 18803 1 19 . 1 1 141 141 MET CB C 131 30.600 30.600 32.623 -2.023 18547 18804 1 19 . 1 1 141 141 MET H H 131 8.210 8.210 8.079 0.131 18547 18805 1 19 . 1 1 142 142 ALA N N 132 121.400 121.400 122.553 -1.153 18547 18806 1 19 . 1 1 142 142 ALA HA H 132 4.720 4.720 4.660 0.060 18547 18807 1 19 . 1 1 142 142 ALA C C 132 180.900 180.900 180.278 0.622 18547 18808 1 19 . 1 1 142 142 ALA CA C 132 55.700 55.700 55.152 0.548 18547 18809 1 19 . 1 1 142 142 ALA CB C 132 18.200 18.200 18.646 -0.446 18547 18810 1 19 . 1 1 142 142 ALA H H 132 7.910 7.910 7.829 0.081 18547 18811 1 19 . 1 1 143 143 LEU N N 133 117.200 117.200 116.505 0.695 18547 18812 1 19 . 1 1 143 143 LEU HA H 133 4.150 4.150 4.249 -0.099 18547 18813 1 19 . 1 1 143 143 LEU C C 133 180.300 180.300 179.128 1.172 18547 18814 1 19 . 1 1 143 143 LEU CA C 133 57.300 57.300 56.736 0.564 18547 18815 1 19 . 1 1 143 143 LEU CB C 133 40.600 40.600 40.680 -0.080 18547 18816 1 19 . 1 1 143 143 LEU H H 133 9.190 9.190 8.558 0.632 18547 18817 1 19 . 1 1 144 144 ASP N N 134 122.600 122.600 122.232 0.368 18547 18818 1 19 . 1 1 144 144 ASP HA H 134 4.580 4.580 4.315 0.265 18547 18819 1 19 . 1 1 144 144 ASP C C 134 179.900 179.900 178.202 1.698 18547 18820 1 19 . 1 1 144 144 ASP CA C 134 57.800 57.800 57.811 -0.011 18547 18821 1 19 . 1 1 144 144 ASP CB C 134 39.800 39.800 40.743 -0.944 18547 18822 1 19 . 1 1 144 144 ASP H H 134 7.930 7.930 7.949 -0.019 18547 18823 1 19 . 1 1 145 145 PHE N N 135 119.300 119.300 117.148 2.152 18547 18824 1 19 . 1 1 145 145 PHE HA H 135 4.580 4.580 4.444 0.136 18547 18825 1 19 . 1 1 145 145 PHE C C 135 178.000 178.000 177.990 0.010 18547 18826 1 19 . 1 1 145 145 PHE CA C 135 61.700 61.700 60.730 0.970 18547 18827 1 19 . 1 1 145 145 PHE CB C 135 39.400 39.400 38.897 0.503 18547 18828 1 19 . 1 1 145 145 PHE H H 135 7.690 7.690 7.702 -0.012 18547 18829 1 19 . 1 1 146 146 LEU N N 136 124.400 124.400 122.537 1.863 18547 18830 1 19 . 1 1 146 146 LEU HA H 136 3.200 3.200 4.008 -0.808 18547 18831 1 19 . 1 1 146 146 LEU C C 136 178.800 178.800 178.214 0.586 18547 18832 1 19 . 1 1 146 146 LEU CA C 136 58.400 58.400 57.095 1.305 18547 18833 1 19 . 1 1 146 146 LEU CB C 136 38.800 38.800 40.810 -2.010 18547 18834 1 19 . 1 1 146 146 LEU H H 136 7.930 7.930 8.321 -0.391 18547 18835 1 19 . 1 1 147 147 GLY N N 137 104.200 104.200 106.900 -2.700 18547 18836 1 19 . 1 1 147 147 GLY C C 137 176.100 176.100 176.031 0.069 18547 18837 1 19 . 1 1 147 147 GLY CA C 137 47.900 47.900 47.469 0.431 18547 18838 1 19 . 1 1 147 147 GLY H H 137 8.340 8.340 8.197 0.143 18547 18839 1 19 . 1 1 148 148 MET N N 138 119.300 119.300 120.282 -0.982 18547 18840 1 19 . 1 1 148 148 MET HA H 138 4.090 4.090 4.270 -0.180 18547 18841 1 19 . 1 1 148 148 MET C C 138 177.700 177.700 178.380 -0.680 18547 18842 1 19 . 1 1 148 148 MET CA C 138 59.400 59.400 58.711 0.689 18547 18843 1 19 . 1 1 148 148 MET CB C 138 34.500 34.500 32.976 1.524 18547 18844 1 19 . 1 1 148 148 MET H H 138 7.550 7.550 7.942 -0.392 18547 18845 1 19 . 1 1 149 149 PHE N N 139 120.400 120.400 120.960 -0.560 18547 18846 1 19 . 1 1 149 149 PHE HA H 139 4.380 4.380 4.259 0.121 18547 18847 1 19 . 1 1 149 149 PHE C C 139 179.100 179.100 176.602 2.498 18547 18848 1 19 . 1 1 149 149 PHE CA C 139 60.800 60.800 60.709 0.091 18547 18849 1 19 . 1 1 149 149 PHE CB C 139 39.200 39.200 38.989 0.211 18547 18850 1 19 . 1 1 149 149 PHE H H 139 8.600 8.600 7.779 0.821 18547 18851 1 19 . 1 1 150 150 ILE N N 140 121.300 121.300 118.356 2.944 18547 18852 1 19 . 1 1 150 150 ILE HA H 140 3.420 3.420 3.570 -0.150 18547 18853 1 19 . 1 1 150 150 ILE C C 140 177.500 177.500 176.408 1.092 18547 18854 1 19 . 1 1 150 150 ILE CA C 140 63.100 63.100 63.793 -0.693 18547 18855 1 19 . 1 1 150 150 ILE CB C 140 37.100 37.100 38.360 -1.260 18547 18856 1 19 . 1 1 150 150 ILE H H 140 8.780 8.780 7.721 1.059 18547 18857 1 19 . 1 1 151 151 ARG N N 141 116.500 116.500 119.556 -3.056 18547 18858 1 19 . 1 1 151 151 ARG HA H 141 4.220 4.220 4.474 -0.254 18547 18859 1 19 . 1 1 151 151 ARG C C 141 176.700 176.700 174.584 2.116 18547 18860 1 19 . 1 1 151 151 ARG CA C 141 57.500 57.500 55.139 2.361 18547 18861 1 19 . 1 1 151 151 ARG CB C 141 31.500 31.500 30.691 0.809 18547 18862 1 19 . 1 1 151 151 ARG H H 141 7.730 7.730 8.049 -0.319 18547 18863 1 19 . 1 1 152 152 GLY N N 142 106.800 106.800 108.463 -1.663 18547 18864 1 19 . 1 1 152 152 GLY C C 142 174.900 174.900 173.527 1.373 18547 18865 1 19 . 1 1 152 152 GLY CA C 142 45.700 45.700 45.142 0.558 18547 18866 1 19 . 1 1 152 152 GLY H H 142 7.570 7.570 8.452 -0.882 18547 18867 1 19 . 1 1 153 153 ASP N N 143 119.400 119.400 119.416 -0.016 18547 18868 1 19 . 1 1 153 153 ASP HA H 143 4.780 4.780 4.317 0.463 18547 18869 1 19 . 1 1 153 153 ASP C C 143 175.400 175.400 175.703 -0.303 18547 18870 1 19 . 1 1 153 153 ASP CA C 143 54.200 54.200 55.021 -0.821 18547 18871 1 19 . 1 1 153 153 ASP CB C 143 42.100 42.100 39.117 2.983 18547 18872 1 19 . 1 1 153 153 ASP H H 143 8.290 8.290 8.013 0.277 18547 18873 1 19 . 1 1 154 154 LEU N N 144 121.300 121.300 122.964 -1.664 18547 18874 1 19 . 1 1 154 154 LEU HA H 144 4.810 4.810 4.485 0.325 18547 18875 1 19 . 1 1 154 154 LEU CA C 144 52.800 52.800 59.551 -6.751 18547 18876 1 19 . 1 1 154 154 LEU CB C 144 42.500 42.500 40.340 2.160 18547 18877 1 19 . 1 1 154 154 LEU H H 144 8.010 8.010 8.182 -0.172 18547 18878 1 19 . 1 1 155 155 PRO HA H 145 4.480 4.480 4.422 0.058 18547 18879 1 19 . 1 1 155 155 PRO C C 145 177.600 177.600 177.827 -0.227 18547 18880 1 19 . 1 1 155 155 PRO CA C 145 63.500 63.500 64.372 -0.872 18547 18881 1 19 . 1 1 155 155 PRO CB C 145 32.200 32.200 30.952 1.248 18547 18882 1 19 . 1 1 156 156 GLY N N 146 108.900 108.900 107.632 1.268 18547 18883 1 19 . 1 1 156 156 GLY C C 146 174.300 174.300 174.548 -0.248 18547 18884 1 19 . 1 1 156 156 GLY CA C 146 45.100 45.100 45.208 -0.108 18547 18885 1 19 . 1 1 156 156 GLY H H 146 8.530 8.530 7.703 0.827 18547 18886 1 19 . 1 1 157 157 GLY N N 147 108.800 108.800 107.822 0.978 18547 18887 1 19 . 1 1 157 157 GLY CA C 147 44.500 44.500 44.781 -0.281 18547 18888 1 19 . 1 1 157 157 GLY H H 147 8.080 8.080 7.523 0.557 18547 18889 1 19 . 1 1 158 158 PRO HA H 148 4.440 4.440 4.562 -0.122 18547 18890 1 19 . 1 1 158 158 PRO C C 148 176.800 176.800 176.174 0.626 18547 18891 1 19 . 1 1 158 158 PRO CA C 148 63.000 63.000 63.696 -0.696 18547 18892 1 19 . 1 1 158 158 PRO CB C 148 32.100 32.100 32.454 -0.354 18547 18893 1 19 . 1 1 159 159 VAL N N 149 121.400 121.400 113.111 8.289 18547 18894 1 19 . 1 1 159 159 VAL HA H 149 4.390 4.390 4.721 -0.331 18547 18895 1 19 . 1 1 159 159 VAL CA C 149 59.800 59.800 58.508 1.292 18547 18896 1 19 . 1 1 159 159 VAL CB C 149 32.600 32.600 33.417 -0.817 18547 18897 1 19 . 1 1 159 159 VAL H H 149 8.220 8.220 7.264 0.956 18547 18898 1 19 . 1 1 160 160 PRO HA H 150 4.380 4.380 4.595 -0.215 18547 18899 1 19 . 1 1 160 160 PRO C C 150 177.200 177.200 176.716 0.484 18547 18900 1 19 . 1 1 160 160 PRO CA C 150 63.300 63.300 64.181 -0.881 18547 18901 1 19 . 1 1 160 160 PRO CB C 150 32.100 32.100 32.611 -0.511 18547 18902 1 19 . 1 1 161 161 GLU N N 151 120.700 120.700 116.625 4.075 18547 18903 1 19 . 1 1 161 161 GLU HA H 151 4.170 4.170 4.406 -0.236 18547 18904 1 19 . 1 1 161 161 GLU CA C 151 57.400 57.400 56.268 1.132 18547 18905 1 19 . 1 1 161 161 GLU CB C 151 29.900 29.900 30.560 -0.660 18547 18906 1 19 . 1 1 161 161 GLU H H 151 8.620 8.620 8.352 0.268 18547 18907 1 19 . 1 1 162 162 ASP N N 152 119.900 119.900 126.526 -6.626 18547 18908 1 19 . 1 1 162 162 ASP HA H 152 4.570 4.570 4.644 -0.074 18547 18909 1 19 . 1 1 162 162 ASP C C 152 176.000 176.000 175.712 0.288 18547 18910 1 19 . 1 1 162 162 ASP CA C 152 54.200 54.200 54.688 -0.488 18547 18911 1 19 . 1 1 162 162 ASP CB C 152 41.000 41.000 39.586 1.414 18547 18912 1 19 . 1 1 162 162 ASP H H 152 8.250 8.250 8.762 -0.512 18547 18913 1 19 . 1 1 163 163 ALA N N 153 124.000 124.000 124.121 -0.121 18547 18914 1 19 . 1 1 163 163 ALA HA H 153 4.270 4.270 4.264 0.006 18547 18915 1 19 . 1 1 163 163 ALA C C 153 177.400 177.400 176.380 1.020 18547 18916 1 19 . 1 1 163 163 ALA CA C 153 52.700 52.700 53.457 -0.757 18547 18917 1 19 . 1 1 163 163 ALA CB C 153 19.200 19.200 19.914 -0.714 18547 18918 1 19 . 1 1 163 163 ALA H H 153 8.040 8.040 8.229 -0.189 18547 18919 1 19 . 1 1 164 164 ALA N N 154 122.600 122.600 119.064 3.536 18547 18920 1 19 . 1 1 164 164 ALA HA H 154 4.260 4.260 4.476 -0.216 18547 18921 1 19 . 1 1 164 164 ALA C C 154 177.900 177.900 174.958 2.942 18547 18922 1 19 . 1 1 164 164 ALA CA C 154 52.600 52.600 52.217 0.383 18547 18923 1 19 . 1 1 164 164 ALA CB C 154 19.300 19.300 19.976 -0.676 18547 18924 1 19 . 1 1 164 164 ALA H H 154 8.190 8.190 7.698 0.492 18547 18925 1 19 . 1 1 165 165 GLU N N 155 119.400 119.400 122.870 -3.470 18547 18926 1 19 . 1 1 165 165 GLU HA H 155 4.220 4.220 4.066 0.154 18547 18927 1 19 . 1 1 165 165 GLU C C 155 176.200 176.200 175.727 0.473 18547 18928 1 19 . 1 1 165 165 GLU CA C 155 56.500 56.500 58.646 -2.146 18547 18929 1 19 . 1 1 165 165 GLU CB C 155 30.300 30.300 30.331 -0.031 18547 18930 1 19 . 1 1 165 165 GLU H H 155 8.190 8.190 8.777 -0.587 18547 18931 1 19 . 1 1 166 166 GLU N N 156 121.000 121.000 115.865 5.135 18547 18932 1 19 . 1 1 166 166 GLU HA H 156 4.240 4.240 4.409 -0.169 18547 18933 1 19 . 1 1 166 166 GLU C C 156 175.800 175.800 176.575 -0.775 18547 18934 1 19 . 1 1 166 166 GLU CA C 156 56.300 56.300 55.303 0.997 18547 18935 1 19 . 1 1 166 166 GLU CB C 156 30.300 30.300 31.566 -1.266 18547 18936 1 19 . 1 1 166 166 GLU H H 156 8.230 8.230 8.075 0.155 18547 18937 1 19 . 1 1 167 167 PHE N N 157 121.400 121.400 117.337 4.063 18547 18938 1 19 . 1 1 167 167 PHE HA H 157 4.590 4.590 4.141 0.449 18547 18939 1 19 . 1 1 167 167 PHE C C 157 175.100 175.100 175.845 -0.745 18547 18940 1 19 . 1 1 167 167 PHE CA C 157 57.700 57.700 60.425 -2.725 18547 18941 1 19 . 1 1 167 167 PHE CB C 157 39.900 39.900 37.836 2.064 18547 18942 1 19 . 1 1 167 167 PHE H H 157 8.240 8.240 8.580 -0.340 18547 18943 1 19 . 1 1 168 168 GLU N N 158 124.400 124.400 120.883 3.517 18547 18944 1 19 . 1 1 168 168 GLU HA H 158 4.600 4.600 4.687 -0.087 18547 18945 1 19 . 1 1 168 168 GLU CA C 158 53.700 53.700 53.575 0.125 18547 18946 1 19 . 1 1 168 168 GLU CB C 158 30.400 30.400 30.296 0.104 18547 18947 1 19 . 1 1 168 168 GLU H H 158 8.130 8.130 7.841 0.289 18547 18948 1 19 . 1 1 169 169 PRO HA H 159 4.460 4.460 4.555 -0.095 18547 18949 1 19 . 1 1 169 169 PRO C C 159 176.200 176.200 175.712 0.488 18547 18950 1 19 . 1 1 169 169 PRO CA C 159 62.800 62.800 62.841 -0.041 18547 18951 1 19 . 1 1 169 169 PRO CB C 159 32.300 32.300 31.267 1.033 18547 18952 1 19 . 1 1 170 170 SER N N 160 118.600 118.600 121.541 -2.941 18547 18953 1 19 . 1 1 170 170 SER HA H 160 4.780 4.780 4.841 -0.061 18547 18954 1 19 . 1 1 170 170 SER CA C 160 56.200 56.200 55.440 0.760 18547 18955 1 19 . 1 1 170 170 SER CB C 160 63.200 63.200 62.897 0.303 18547 18956 1 19 . 1 1 170 170 SER H H 160 8.290 8.290 7.933 0.357 18547 18957 1 19 . 1 1 171 171 PRO HA H 161 4.350 4.350 4.083 0.267 18547 18958 1 19 . 1 1 171 171 PRO C C 161 179.400 179.400 178.588 0.812 18547 18959 1 19 . 1 1 171 171 PRO CA C 161 65.500 65.500 66.075 -0.575 18547 18960 1 19 . 1 1 171 171 PRO CB C 161 31.700 31.700 31.829 -0.129 18547 18961 1 19 . 1 1 172 172 GLU N N 162 118.300 118.300 117.242 1.058 18547 18962 1 19 . 1 1 172 172 GLU HA H 162 4.160 4.160 4.166 -0.006 18547 18963 1 19 . 1 1 172 172 GLU C C 162 178.300 178.300 178.524 -0.224 18547 18964 1 19 . 1 1 172 172 GLU CA C 162 59.300 59.300 58.727 0.572 18547 18965 1 19 . 1 1 172 172 GLU CB C 162 29.400 29.400 29.020 0.379 18547 18966 1 19 . 1 1 172 172 GLU H H 162 8.540 8.540 8.490 0.050 18547 18967 1 19 . 1 1 173 173 MET N N 163 119.400 119.400 120.311 -0.911 18547 18968 1 19 . 1 1 173 173 MET HA H 163 4.260 4.260 4.336 -0.076 18547 18969 1 19 . 1 1 173 173 MET C C 163 179.200 179.200 178.369 0.831 18547 18970 1 19 . 1 1 173 173 MET CA C 163 58.200 58.200 57.531 0.669 18547 18971 1 19 . 1 1 173 173 MET CB C 163 32.500 32.500 32.206 0.294 18547 18972 1 19 . 1 1 173 173 MET H H 163 7.830 7.830 7.633 0.197 18547 18973 1 19 . 1 1 174 174 MET N N 164 119.300 119.300 118.844 0.456 18547 18974 1 19 . 1 1 174 174 MET HA H 164 4.260 4.260 4.408 -0.148 18547 18975 1 19 . 1 1 174 174 MET C C 164 178.600 178.600 178.610 -0.010 18547 18976 1 19 . 1 1 174 174 MET CA C 164 58.200 58.200 58.320 -0.120 18547 18977 1 19 . 1 1 174 174 MET CB C 164 31.900 31.900 31.794 0.105 18547 18978 1 19 . 1 1 174 174 MET H H 164 8.320 8.320 8.195 0.125 18547 18979 1 19 . 1 1 175 175 ARG N N 165 121.200 121.200 119.730 1.470 18547 18980 1 19 . 1 1 175 175 ARG HA H 165 4.160 4.160 3.966 0.194 18547 18981 1 19 . 1 1 175 175 ARG C C 165 178.800 178.800 178.687 0.113 18547 18982 1 19 . 1 1 175 175 ARG CA C 165 59.400 59.400 59.775 -0.375 18547 18983 1 19 . 1 1 175 175 ARG CB C 165 29.900 29.900 30.098 -0.198 18547 18984 1 19 . 1 1 175 175 ARG H H 165 8.020 8.020 7.514 0.506 18547 18985 1 19 . 1 1 176 176 ILE N N 166 120.500 120.500 119.130 1.370 18547 18986 1 19 . 1 1 176 176 ILE HA H 166 3.920 3.920 3.771 0.149 18547 18987 1 19 . 1 1 176 176 ILE C C 166 178.500 178.500 178.180 0.320 18547 18988 1 19 . 1 1 176 176 ILE CA C 166 64.500 64.500 64.442 0.058 18547 18989 1 19 . 1 1 176 176 ILE CB C 166 37.900 37.900 36.465 1.435 18547 18990 1 19 . 1 1 176 176 ILE H H 166 8.110 8.110 8.411 -0.301 18547 18991 1 19 . 1 1 177 177 SER N N 167 116.300 116.300 114.826 1.474 18547 18992 1 19 . 1 1 177 177 SER HA H 167 4.240 4.240 4.145 0.095 18547 18993 1 19 . 1 1 177 177 SER C C 167 177.300 177.300 176.994 0.306 18547 18994 1 19 . 1 1 177 177 SER CA C 167 62.500 62.500 61.485 1.015 18547 18995 1 19 . 1 1 177 177 SER CB C 167 62.800 62.800 63.119 -0.319 18547 18996 1 19 . 1 1 177 177 SER H H 167 8.290 8.290 7.789 0.501 18547 18997 1 19 . 1 1 178 178 GLN N N 168 123.300 123.300 120.883 2.417 18547 18998 1 19 . 1 1 178 178 GLN HA H 168 4.110 4.110 4.008 0.102 18547 18999 1 19 . 1 1 178 178 GLN C C 168 178.600 178.600 178.394 0.206 18547 19000 1 19 . 1 1 178 178 GLN CA C 168 59.200 59.200 58.924 0.276 18547 19001 1 19 . 1 1 178 178 GLN CB C 168 28.000 28.000 28.250 -0.250 18547 19002 1 19 . 1 1 178 178 GLN H H 168 8.080 8.080 7.975 0.105 18547 19003 1 19 . 1 1 179 179 GLU N N 169 121.200 121.200 118.905 2.295 18547 19004 1 19 . 1 1 179 179 GLU HA H 169 4.090 4.090 3.955 0.135 18547 19005 1 19 . 1 1 179 179 GLU C C 169 180.500 180.500 179.522 0.978 18547 19006 1 19 . 1 1 179 179 GLU CA C 169 59.500 59.500 59.573 -0.073 18547 19007 1 19 . 1 1 179 179 GLU CB C 169 29.700 29.700 29.074 0.626 18547 19008 1 19 . 1 1 179 179 GLU H H 169 8.380 8.380 8.365 0.015 18547 19009 1 19 . 1 1 180 180 ARG N N 170 120.800 120.800 118.416 2.384 18547 19010 1 19 . 1 1 180 180 ARG HA H 170 4.010 4.010 4.116 -0.106 18547 19011 1 19 . 1 1 180 180 ARG C C 170 178.100 178.100 178.887 -0.787 18547 19012 1 19 . 1 1 180 180 ARG CA C 170 59.900 59.900 58.758 1.142 18547 19013 1 19 . 1 1 180 180 ARG CB C 170 30.600 30.600 30.247 0.353 18547 19014 1 19 . 1 1 180 180 ARG H H 170 8.670 8.670 7.691 0.979 18547 19015 1 19 . 1 1 181 181 GLY N N 171 108.200 108.200 108.171 0.029 18547 19016 1 19 . 1 1 181 181 GLY C C 171 176.600 176.600 176.158 0.442 18547 19017 1 19 . 1 1 181 181 GLY CA C 171 47.800 47.800 46.727 1.073 18547 19018 1 19 . 1 1 181 181 GLY H H 171 8.550 8.550 8.118 0.432 18547 19019 1 19 . 1 1 182 182 GLU N N 172 121.900 121.900 122.069 -0.169 18547 19020 1 19 . 1 1 182 182 GLU HA H 172 4.110 4.110 4.008 0.102 18547 19021 1 19 . 1 1 182 182 GLU C C 172 179.300 179.300 178.887 0.413 18547 19022 1 19 . 1 1 182 182 GLU CA C 172 59.300 59.300 58.939 0.361 18547 19023 1 19 . 1 1 182 182 GLU CB C 172 29.300 29.300 29.487 -0.187 18547 19024 1 19 . 1 1 182 182 GLU H H 172 8.190 8.190 8.686 -0.496 18547 19025 1 19 . 1 1 183 183 ALA N N 173 123.500 123.500 122.952 0.548 18547 19026 1 19 . 1 1 183 183 ALA HA H 173 4.150 4.150 4.112 0.038 18547 19027 1 19 . 1 1 183 183 ALA C C 173 181.500 181.500 179.198 2.302 18547 19028 1 19 . 1 1 183 183 ALA CA C 173 55.000 55.000 54.670 0.330 18547 19029 1 19 . 1 1 183 183 ALA CB C 173 17.100 17.100 18.015 -0.915 18547 19030 1 19 . 1 1 183 183 ALA H H 173 7.800 7.800 7.468 0.332 18547 19031 1 19 . 1 1 184 184 TRP N N 174 118.100 118.100 119.453 -1.353 18547 19032 1 19 . 1 1 184 184 TRP HA H 174 4.540 4.540 4.184 0.356 18547 19033 1 19 . 1 1 184 184 TRP C C 174 178.500 178.500 178.288 0.212 18547 19034 1 19 . 1 1 184 184 TRP CA C 174 60.600 60.600 60.130 0.470 18547 19035 1 19 . 1 1 184 184 TRP CB C 174 30.800 30.800 29.193 1.607 18547 19036 1 19 . 1 1 184 184 TRP H H 174 8.400 8.400 8.099 0.301 18547 19037 1 19 . 1 1 185 185 ALA N N 175 121.700 121.700 121.758 -0.058 18547 19038 1 19 . 1 1 185 185 ALA HA H 175 3.920 3.920 3.809 0.111 18547 19039 1 19 . 1 1 185 185 ALA C C 175 179.600 179.600 178.443 1.157 18547 19040 1 19 . 1 1 185 185 ALA CA C 175 55.600 55.600 54.561 1.039 18547 19041 1 19 . 1 1 185 185 ALA CB C 175 17.900 17.900 17.840 0.060 18547 19042 1 19 . 1 1 185 185 ALA H H 175 8.800 8.800 8.117 0.683 18547 19043 1 19 . 1 1 186 186 ALA N N 176 119.000 119.000 121.383 -2.383 18547 19044 1 19 . 1 1 186 186 ALA HA H 176 4.190 4.190 4.108 0.082 18547 19045 1 19 . 1 1 186 186 ALA C C 176 180.300 180.300 179.932 0.368 18547 19046 1 19 . 1 1 186 186 ALA CA C 176 54.800 54.800 54.640 0.160 18547 19047 1 19 . 1 1 186 186 ALA CB C 176 17.900 17.900 18.375 -0.475 18547 19048 1 19 . 1 1 186 186 ALA H H 176 7.860 7.860 7.546 0.314 18547 19049 1 19 . 1 1 187 187 LEU N N 177 118.500 118.500 118.483 0.017 18547 19050 1 19 . 1 1 187 187 LEU HA H 177 4.210 4.210 3.970 0.240 18547 19051 1 19 . 1 1 187 187 LEU C C 177 179.400 179.400 179.021 0.379 18547 19052 1 19 . 1 1 187 187 LEU CA C 177 57.600 57.600 57.521 0.079 18547 19053 1 19 . 1 1 187 187 LEU CB C 177 42.700 42.700 42.011 0.689 18547 19054 1 19 . 1 1 187 187 LEU H H 177 7.460 7.460 8.006 -0.546 18547 19055 1 19 . 1 1 188 188 VAL N N 178 118.500 118.500 118.231 0.269 18547 19056 1 19 . 1 1 188 188 VAL HA H 178 3.660 3.660 3.727 -0.067 18547 19057 1 19 . 1 1 188 188 VAL C C 178 177.600 177.600 177.242 0.358 18547 19058 1 19 . 1 1 188 188 VAL CA C 178 66.000 66.000 64.388 1.612 18547 19059 1 19 . 1 1 188 188 VAL CB C 178 32.400 32.400 32.143 0.257 18547 19060 1 19 . 1 1 188 188 VAL H H 178 8.640 8.640 7.523 1.117 18547 19061 1 19 . 1 1 189 189 HIS N N 179 116.000 116.000 117.522 -1.522 18547 19062 1 19 . 1 1 189 189 HIS HA H 179 4.780 4.780 4.406 0.374 18547 19063 1 19 . 1 1 189 189 HIS C C 179 175.300 175.300 176.938 -1.638 18547 19064 1 19 . 1 1 189 189 HIS CA C 179 56.200 56.200 58.209 -2.009 18547 19065 1 19 . 1 1 189 189 HIS CB C 179 28.500 28.500 29.850 -1.350 18547 19066 1 19 . 1 1 189 189 HIS H H 179 8.150 8.150 7.973 0.177 18547 19067 1 19 . 1 1 190 190 SER N N 180 115.000 115.000 113.589 1.411 18547 19068 1 19 . 1 1 190 190 SER HA H 180 4.480 4.480 4.396 0.084 18547 19069 1 19 . 1 1 190 190 SER C C 180 175.100 175.100 175.874 -0.774 18547 19070 1 19 . 1 1 190 190 SER CA C 180 59.500 59.500 58.806 0.694 18547 19071 1 19 . 1 1 190 190 SER CB C 180 64.000 64.000 63.568 0.432 18547 19072 1 19 . 1 1 190 190 SER H H 180 7.820 7.820 7.540 0.280 18547 19073 1 19 . 1 1 191 191 GLY N N 181 111.100 111.100 108.773 2.327 18547 19074 1 19 . 1 1 191 191 GLY C C 181 173.400 173.400 174.139 -0.739 18547 19075 1 19 . 1 1 191 191 GLY CA C 181 45.500 45.500 44.764 0.736 18547 19076 1 19 . 1 1 191 191 GLY H H 181 8.330 8.330 7.729 0.601 18547 19077 1 20 . 1 1 12 12 ALA N N 2 125.600 125.600 127.778 -2.178 18547 19078 1 20 . 1 1 12 12 ALA HA H 2 4.300 4.300 4.458 -0.158 18547 19079 1 20 . 1 1 12 12 ALA C C 2 177.600 177.600 176.992 0.608 18547 19080 1 20 . 1 1 12 12 ALA CA C 2 52.600 52.600 51.671 0.929 18547 19081 1 20 . 1 1 12 12 ALA CB C 2 19.200 19.200 18.333 0.867 18547 19082 1 20 . 1 1 12 12 ALA H H 2 8.380 8.380 8.503 -0.123 18547 19083 1 20 . 1 1 13 13 SER N N 3 115.000 115.000 117.064 -2.064 18547 19084 1 20 . 1 1 13 13 SER HA H 3 4.390 4.390 4.338 0.052 18547 19085 1 20 . 1 1 13 13 SER C C 3 175.100 175.100 174.631 0.469 18547 19086 1 20 . 1 1 13 13 SER CA C 3 58.500 58.500 57.218 1.282 18547 19087 1 20 . 1 1 13 13 SER CB C 3 63.800 63.800 63.649 0.151 18547 19088 1 20 . 1 1 13 13 SER H H 3 8.250 8.250 7.774 0.476 18547 19089 1 20 . 1 1 14 14 GLY N N 4 110.700 110.700 109.876 0.824 18547 19090 1 20 . 1 1 14 14 GLY C C 4 174.000 174.000 173.509 0.491 18547 19091 1 20 . 1 1 14 14 GLY CA C 4 45.400 45.400 45.144 0.256 18547 19092 1 20 . 1 1 14 14 GLY H H 4 8.390 8.390 8.565 -0.175 18547 19093 1 20 . 1 1 15 15 GLN N N 5 120.100 120.100 119.356 0.744 18547 19094 1 20 . 1 1 15 15 GLN HA H 5 4.310 4.310 4.254 0.056 18547 19095 1 20 . 1 1 15 15 GLN C C 5 175.500 175.500 174.849 0.651 18547 19096 1 20 . 1 1 15 15 GLN CA C 5 55.600 55.600 55.311 0.289 18547 19097 1 20 . 1 1 15 15 GLN CB C 5 29.700 29.700 28.731 0.969 18547 19098 1 20 . 1 1 15 15 GLN H H 5 8.190 8.190 7.349 0.841 18547 19099 1 20 . 1 1 16 16 ALA N N 6 126.000 126.000 125.661 0.339 18547 19100 1 20 . 1 1 16 16 ALA HA H 6 4.360 4.360 4.511 -0.151 18547 19101 1 20 . 1 1 16 16 ALA C C 6 177.300 177.300 176.103 1.197 18547 19102 1 20 . 1 1 16 16 ALA CA C 6 52.300 52.300 51.923 0.377 18547 19103 1 20 . 1 1 16 16 ALA CB C 6 19.200 19.200 20.125 -0.925 18547 19104 1 20 . 1 1 16 16 ALA H H 6 8.400 8.400 8.387 0.013 18547 19105 1 20 . 1 1 17 17 THR N N 7 119.200 119.200 116.607 2.593 18547 19106 1 20 . 1 1 17 17 THR HA H 7 4.370 4.370 5.021 -0.651 18547 19107 1 20 . 1 1 17 17 THR C C 7 173.600 173.600 174.461 -0.861 18547 19108 1 20 . 1 1 17 17 THR CA C 7 63.200 63.200 62.109 1.091 18547 19109 1 20 . 1 1 17 17 THR CB C 7 70.600 70.600 69.317 1.283 18547 19110 1 20 . 1 1 17 17 THR H H 7 8.180 8.180 7.839 0.341 18547 19111 1 20 . 1 1 18 18 GLU N N 8 127.500 127.500 127.383 0.117 18547 19112 1 20 . 1 1 18 18 GLU HA H 8 4.540 4.540 4.549 -0.009 18547 19113 1 20 . 1 1 18 18 GLU C C 8 174.200 174.200 174.997 -0.797 18547 19114 1 20 . 1 1 18 18 GLU CA C 8 55.100 55.100 54.614 0.486 18547 19115 1 20 . 1 1 18 18 GLU CB C 8 31.900 31.900 31.826 0.074 18547 19116 1 20 . 1 1 18 18 GLU H H 8 8.810 8.810 8.725 0.085 18547 19117 1 20 . 1 1 19 19 ARG N N 9 122.100 122.100 124.838 -2.738 18547 19118 1 20 . 1 1 19 19 ARG HA H 9 5.060 5.060 4.585 0.475 18547 19119 1 20 . 1 1 19 19 ARG C C 9 175.000 175.000 175.657 -0.657 18547 19120 1 20 . 1 1 19 19 ARG CA C 9 54.800 54.800 56.300 -1.500 18547 19121 1 20 . 1 1 19 19 ARG CB C 9 31.600 31.600 31.208 0.392 18547 19122 1 20 . 1 1 19 19 ARG H H 9 8.070 8.070 8.651 -0.581 18547 19123 1 20 . 1 1 20 20 ALA N N 10 126.300 126.300 126.354 -0.054 18547 19124 1 20 . 1 1 20 20 ALA HA H 10 4.640 4.640 4.768 -0.128 18547 19125 1 20 . 1 1 20 20 ALA C C 10 173.800 173.800 175.107 -1.307 18547 19126 1 20 . 1 1 20 20 ALA CA C 10 51.100 51.100 51.600 -0.500 18547 19127 1 20 . 1 1 20 20 ALA CB C 10 22.800 22.800 21.548 1.252 18547 19128 1 20 . 1 1 20 20 ALA H H 10 9.390 9.390 8.586 0.804 18547 19129 1 20 . 1 1 21 21 LEU N N 11 117.500 117.500 118.695 -1.195 18547 19130 1 20 . 1 1 21 21 LEU HA H 11 5.790 5.790 5.431 0.359 18547 19131 1 20 . 1 1 21 21 LEU C C 11 178.100 178.100 176.309 1.791 18547 19132 1 20 . 1 1 21 21 LEU CA C 11 53.100 53.100 53.584 -0.485 18547 19133 1 20 . 1 1 21 21 LEU CB C 11 45.400 45.400 47.069 -1.669 18547 19134 1 20 . 1 1 21 21 LEU H H 11 8.280 8.280 8.305 -0.025 18547 19135 1 20 . 1 1 22 22 GLY N N 12 113.400 113.400 107.681 5.719 18547 19136 1 20 . 1 1 22 22 GLY C C 12 174.800 174.800 171.547 3.253 18547 19137 1 20 . 1 1 22 22 GLY CA C 12 44.500 44.500 45.262 -0.762 18547 19138 1 20 . 1 1 22 22 GLY H H 12 8.830 8.830 8.825 0.005 18547 19139 1 20 . 1 1 23 23 ARG N N 13 119.600 119.600 120.387 -0.787 18547 19140 1 20 . 1 1 23 23 ARG HA H 13 5.040 5.040 4.751 0.289 18547 19141 1 20 . 1 1 23 23 ARG C C 13 174.900 174.900 174.564 0.336 18547 19142 1 20 . 1 1 23 23 ARG CA C 13 55.800 55.800 55.531 0.269 18547 19143 1 20 . 1 1 23 23 ARG CB C 13 33.600 33.600 32.995 0.605 18547 19144 1 20 . 1 1 23 23 ARG H H 13 8.160 8.160 8.479 -0.319 18547 19145 1 20 . 1 1 24 24 ARG N N 14 121.900 121.900 127.519 -5.619 18547 19146 1 20 . 1 1 24 24 ARG HA H 14 4.530 4.530 4.636 -0.106 18547 19147 1 20 . 1 1 24 24 ARG C C 14 174.000 174.000 174.739 -0.739 18547 19148 1 20 . 1 1 24 24 ARG CA C 14 55.200 55.200 55.384 -0.184 18547 19149 1 20 . 1 1 24 24 ARG CB C 14 34.700 34.700 33.511 1.189 18547 19150 1 20 . 1 1 24 24 ARG H H 14 8.780 8.780 8.569 0.211 18547 19151 1 20 . 1 1 25 25 THR N N 15 121.700 121.700 121.827 -0.127 18547 19152 1 20 . 1 1 25 25 THR HA H 15 4.420 4.420 4.449 -0.029 18547 19153 1 20 . 1 1 25 25 THR C C 15 173.700 173.700 174.376 -0.676 18547 19154 1 20 . 1 1 25 25 THR CA C 15 63.600 63.600 62.507 1.093 18547 19155 1 20 . 1 1 25 25 THR CB C 15 68.600 68.600 69.071 -0.471 18547 19156 1 20 . 1 1 25 25 THR H H 15 8.800 8.800 8.381 0.419 18547 19157 1 20 . 1 1 26 26 ILE N N 16 124.200 124.200 123.954 0.246 18547 19158 1 20 . 1 1 26 26 ILE HA H 16 4.940 4.940 4.869 0.071 18547 19159 1 20 . 1 1 26 26 ILE CA C 16 59.300 59.300 57.161 2.139 18547 19160 1 20 . 1 1 26 26 ILE CB C 16 38.200 38.200 37.806 0.394 18547 19161 1 20 . 1 1 26 26 ILE H H 16 8.420 8.420 8.183 0.237 18547 19162 1 20 . 1 1 27 27 PRO HA H 17 4.180 4.180 4.227 -0.047 18547 19163 1 20 . 1 1 27 27 PRO C C 17 178.100 178.100 177.124 0.976 18547 19164 1 20 . 1 1 27 27 PRO CA C 17 67.200 67.200 65.490 1.710 18547 19165 1 20 . 1 1 27 27 PRO CB C 17 30.700 30.700 31.195 -0.495 18547 19166 1 20 . 1 1 28 28 ALA N N 18 114.800 114.800 118.696 -3.896 18547 19167 1 20 . 1 1 28 28 ALA HA H 18 4.270 4.270 4.319 -0.049 18547 19168 1 20 . 1 1 28 28 ALA C C 18 177.000 177.000 177.441 -0.441 18547 19169 1 20 . 1 1 28 28 ALA CA C 18 53.100 53.100 52.592 0.508 18547 19170 1 20 . 1 1 28 28 ALA CB C 18 19.500 19.500 19.473 0.028 18547 19171 1 20 . 1 1 28 28 ALA H H 18 8.060 8.060 8.127 -0.067 18547 19172 1 20 . 1 1 29 29 GLY N N 19 107.100 107.100 105.690 1.410 18547 19173 1 20 . 1 1 29 29 GLY C C 19 171.900 171.900 172.032 -0.132 18547 19174 1 20 . 1 1 29 29 GLY CA C 19 44.000 44.000 44.396 -0.396 18547 19175 1 20 . 1 1 29 29 GLY H H 19 8.140 8.140 7.487 0.652 18547 19176 1 20 . 1 1 30 30 GLU N N 20 120.000 120.000 120.525 -0.525 18547 19177 1 20 . 1 1 30 30 GLU HA H 20 4.320 4.320 4.215 0.105 18547 19178 1 20 . 1 1 30 30 GLU C C 20 175.600 175.600 175.752 -0.152 18547 19179 1 20 . 1 1 30 30 GLU CA C 20 57.300 57.300 56.701 0.599 18547 19180 1 20 . 1 1 30 30 GLU CB C 20 29.100 29.100 29.227 -0.128 18547 19181 1 20 . 1 1 30 30 GLU H H 20 8.380 8.380 8.635 -0.255 18547 19182 1 20 . 1 1 31 31 ALA N N 21 129.500 129.500 127.789 1.711 18547 19183 1 20 . 1 1 31 31 ALA HA H 21 4.610 4.610 4.399 0.211 18547 19184 1 20 . 1 1 31 31 ALA C C 21 177.200 177.200 176.648 0.552 18547 19185 1 20 . 1 1 31 31 ALA CA C 21 51.200 51.200 51.967 -0.767 18547 19186 1 20 . 1 1 31 31 ALA CB C 21 22.500 22.500 20.642 1.858 18547 19187 1 20 . 1 1 31 31 ALA H H 21 8.660 8.660 7.986 0.674 18547 19188 1 20 . 1 1 32 32 ARG N N 22 120.400 120.400 117.999 2.401 18547 19189 1 20 . 1 1 32 32 ARG HA H 22 4.950 4.950 4.707 0.243 18547 19190 1 20 . 1 1 32 32 ARG C C 22 173.400 173.400 175.482 -2.082 18547 19191 1 20 . 1 1 32 32 ARG CA C 22 55.500 55.500 54.896 0.604 18547 19192 1 20 . 1 1 32 32 ARG CB C 22 32.500 32.500 33.749 -1.249 18547 19193 1 20 . 1 1 32 32 ARG H H 22 8.090 8.090 8.023 0.067 18547 19194 1 20 . 1 1 33 33 SER N N 23 113.800 113.800 114.290 -0.490 18547 19195 1 20 . 1 1 33 33 SER HA H 23 5.560 5.560 5.487 0.073 18547 19196 1 20 . 1 1 33 33 SER C C 23 174.500 174.500 173.532 0.968 18547 19197 1 20 . 1 1 33 33 SER CA C 23 55.600 55.600 57.175 -1.575 18547 19198 1 20 . 1 1 33 33 SER CB C 23 67.300 67.300 66.097 1.203 18547 19199 1 20 . 1 1 33 33 SER H H 23 8.080 8.080 8.482 -0.402 18547 19200 1 20 . 1 1 34 34 ILE N N 24 112.700 112.700 121.486 -8.786 18547 19201 1 20 . 1 1 34 34 ILE HA H 24 4.950 4.950 4.523 0.427 18547 19202 1 20 . 1 1 34 34 ILE C C 24 175.400 175.400 174.456 0.944 18547 19203 1 20 . 1 1 34 34 ILE CA C 24 58.300 58.300 60.388 -2.088 18547 19204 1 20 . 1 1 34 34 ILE CB C 24 39.900 39.900 38.669 1.231 18547 19205 1 20 . 1 1 34 34 ILE H H 24 7.980 7.980 8.526 -0.546 18547 19206 1 20 . 1 1 35 35 ILE N N 25 121.800 121.800 127.326 -5.526 18547 19207 1 20 . 1 1 35 35 ILE HA H 25 4.960 4.960 4.632 0.328 18547 19208 1 20 . 1 1 35 35 ILE C C 25 174.800 174.800 174.875 -0.075 18547 19209 1 20 . 1 1 35 35 ILE CA C 25 60.700 60.700 59.767 0.933 18547 19210 1 20 . 1 1 35 35 ILE CB C 25 41.300 41.300 39.998 1.302 18547 19211 1 20 . 1 1 35 35 ILE H H 25 8.960 8.960 8.211 0.749 18547 19212 1 20 . 1 1 36 36 ILE N N 26 127.900 127.900 128.454 -0.554 18547 19213 1 20 . 1 1 36 36 ILE HA H 26 4.770 4.770 4.563 0.207 18547 19214 1 20 . 1 1 36 36 ILE C C 26 175.000 175.000 175.032 -0.032 18547 19215 1 20 . 1 1 36 36 ILE CA C 26 59.900 59.900 60.739 -0.839 18547 19216 1 20 . 1 1 36 36 ILE CB C 26 42.100 42.100 38.119 3.981 18547 19217 1 20 . 1 1 36 36 ILE H H 26 9.210 9.210 8.489 0.721 18547 19218 1 20 . 1 1 37 37 ARG N N 27 124.100 124.100 128.035 -3.935 18547 19219 1 20 . 1 1 37 37 ARG HA H 27 5.850 5.850 5.513 0.337 18547 19220 1 20 . 1 1 37 37 ARG C C 27 176.200 176.200 175.644 0.556 18547 19221 1 20 . 1 1 37 37 ARG CA C 27 54.100 54.100 54.794 -0.694 18547 19222 1 20 . 1 1 37 37 ARG CB C 27 32.900 32.900 32.370 0.530 18547 19223 1 20 . 1 1 37 37 ARG H H 27 8.670 8.670 8.749 -0.080 18547 19224 1 20 . 1 1 38 38 GLN N N 28 122.900 122.900 121.947 0.953 18547 19225 1 20 . 1 1 38 38 GLN HA H 28 4.710 4.710 5.229 -0.519 18547 19226 1 20 . 1 1 38 38 GLN C C 28 173.200 173.200 174.659 -1.459 18547 19227 1 20 . 1 1 38 38 GLN CA C 28 54.400 54.400 54.638 -0.238 18547 19228 1 20 . 1 1 38 38 GLN CB C 28 35.200 35.200 33.663 1.538 18547 19229 1 20 . 1 1 38 38 GLN H H 28 9.310 9.310 8.791 0.519 18547 19230 1 20 . 1 1 39 39 ARG N N 29 121.400 121.400 123.714 -2.314 18547 19231 1 20 . 1 1 39 39 ARG HA H 29 5.260 5.260 4.982 0.278 18547 19232 1 20 . 1 1 39 39 ARG C C 29 175.400 175.400 175.753 -0.353 18547 19233 1 20 . 1 1 39 39 ARG CA C 29 55.100 55.100 55.121 -0.021 18547 19234 1 20 . 1 1 39 39 ARG CB C 29 32.500 32.500 31.254 1.246 18547 19235 1 20 . 1 1 39 39 ARG H H 29 8.510 8.510 8.052 0.458 18547 19236 1 20 . 1 1 40 40 TYR N N 30 120.000 120.000 124.184 -4.184 18547 19237 1 20 . 1 1 40 40 TYR HA H 30 4.600 4.600 4.575 0.025 18547 19238 1 20 . 1 1 40 40 TYR C C 30 175.600 175.600 176.520 -0.920 18547 19239 1 20 . 1 1 40 40 TYR CA C 30 56.900 56.900 57.583 -0.683 18547 19240 1 20 . 1 1 40 40 TYR CB C 30 42.700 42.700 40.310 2.390 18547 19241 1 20 . 1 1 40 40 TYR H H 30 9.140 9.140 8.831 0.309 18547 19242 1 20 . 1 1 41 41 ASP N N 31 126.400 126.400 125.520 0.880 18547 19243 1 20 . 1 1 41 41 ASP HA H 31 4.880 4.880 4.551 0.329 18547 19244 1 20 . 1 1 41 41 ASP C C 31 174.500 174.500 174.984 -0.484 18547 19245 1 20 . 1 1 41 41 ASP CA C 31 53.200 53.200 53.900 -0.700 18547 19246 1 20 . 1 1 41 41 ASP CB C 31 39.200 39.200 39.730 -0.529 18547 19247 1 20 . 1 1 41 41 ASP H H 31 9.140 9.140 8.869 0.271 18547 19248 1 20 . 1 1 42 42 ALA N N 32 123.100 123.100 123.090 0.010 18547 19249 1 20 . 1 1 42 42 ALA HA H 32 4.690 4.690 4.719 -0.029 18547 19250 1 20 . 1 1 42 42 ALA CA C 32 50.100 50.100 49.932 0.168 18547 19251 1 20 . 1 1 42 42 ALA CB C 32 20.200 20.200 20.481 -0.281 18547 19252 1 20 . 1 1 42 42 ALA H H 32 7.770 7.770 7.718 0.051 18547 19253 1 20 . 1 1 43 43 PRO HA H 33 4.650 4.650 4.531 0.119 18547 19254 1 20 . 1 1 43 43 PRO C C 33 178.100 178.100 177.415 0.685 18547 19255 1 20 . 1 1 43 43 PRO CA C 33 62.000 62.000 62.559 -0.559 18547 19256 1 20 . 1 1 43 43 PRO CB C 33 33.000 33.000 32.987 0.013 18547 19257 1 20 . 1 1 44 44 VAL N N 34 123.500 123.500 119.752 3.748 18547 19258 1 20 . 1 1 44 44 VAL HA H 34 3.960 3.960 3.754 0.206 18547 19259 1 20 . 1 1 44 44 VAL C C 34 177.500 177.500 177.850 -0.350 18547 19260 1 20 . 1 1 44 44 VAL CA C 34 66.000 66.000 65.964 0.036 18547 19261 1 20 . 1 1 44 44 VAL CB C 34 32.000 32.000 31.599 0.401 18547 19262 1 20 . 1 1 44 44 VAL H H 34 8.570 8.570 8.584 -0.014 18547 19263 1 20 . 1 1 45 45 ASP N N 35 116.200 116.200 118.872 -2.672 18547 19264 1 20 . 1 1 45 45 ASP HA H 35 4.290 4.290 4.211 0.079 18547 19265 1 20 . 1 1 45 45 ASP C C 35 178.800 178.800 178.389 0.411 18547 19266 1 20 . 1 1 45 45 ASP CA C 35 57.500 57.500 58.055 -0.555 18547 19267 1 20 . 1 1 45 45 ASP CB C 35 40.400 40.400 40.395 0.005 18547 19268 1 20 . 1 1 45 45 ASP H H 35 8.520 8.520 8.725 -0.205 18547 19269 1 20 . 1 1 46 46 GLU N N 36 120.100 120.100 120.644 -0.544 18547 19270 1 20 . 1 1 46 46 GLU HA H 36 4.260 4.260 4.182 0.078 18547 19271 1 20 . 1 1 46 46 GLU C C 36 179.000 179.000 178.608 0.392 18547 19272 1 20 . 1 1 46 46 GLU CA C 36 58.400 58.400 58.857 -0.457 18547 19273 1 20 . 1 1 46 46 GLU CB C 36 29.700 29.700 29.119 0.581 18547 19274 1 20 . 1 1 46 46 GLU H H 36 7.360 7.360 8.078 -0.718 18547 19275 1 20 . 1 1 47 47 VAL N N 37 121.800 121.800 120.182 1.618 18547 19276 1 20 . 1 1 47 47 VAL HA H 37 3.370 3.370 3.510 -0.140 18547 19277 1 20 . 1 1 47 47 VAL C C 37 177.100 177.100 177.709 -0.609 18547 19278 1 20 . 1 1 47 47 VAL CA C 37 66.900 66.900 67.070 -0.170 18547 19279 1 20 . 1 1 47 47 VAL CB C 37 31.000 31.000 31.240 -0.240 18547 19280 1 20 . 1 1 47 47 VAL H H 37 7.680 7.680 7.645 0.035 18547 19281 1 20 . 1 1 48 48 TRP N N 38 119.800 119.800 120.770 -0.970 18547 19282 1 20 . 1 1 48 48 TRP HA H 38 3.990 3.990 4.209 -0.219 18547 19283 1 20 . 1 1 48 48 TRP C C 38 180.700 180.700 178.658 2.042 18547 19284 1 20 . 1 1 48 48 TRP CA C 38 60.900 60.900 60.767 0.133 18547 19285 1 20 . 1 1 48 48 TRP CB C 38 29.300 29.300 29.301 -0.001 18547 19286 1 20 . 1 1 48 48 TRP H H 38 9.160 9.160 8.343 0.817 18547 19287 1 20 . 1 1 49 49 SER N N 39 116.100 116.100 115.856 0.244 18547 19288 1 20 . 1 1 49 49 SER HA H 39 4.010 4.010 4.250 -0.240 18547 19289 1 20 . 1 1 49 49 SER C C 39 175.700 175.700 176.774 -1.074 18547 19290 1 20 . 1 1 49 49 SER CA C 39 62.700 62.700 61.835 0.865 18547 19291 1 20 . 1 1 49 49 SER CB C 39 62.700 62.700 63.168 -0.468 18547 19292 1 20 . 1 1 49 49 SER H H 39 8.230 8.230 8.064 0.166 18547 19293 1 20 . 1 1 50 50 ALA N N 40 122.300 122.300 123.762 -1.462 18547 19294 1 20 . 1 1 50 50 ALA HA H 40 4.020 4.020 4.271 -0.251 18547 19295 1 20 . 1 1 50 50 ALA C C 40 176.700 176.700 178.830 -2.130 18547 19296 1 20 . 1 1 50 50 ALA CA C 40 55.200 55.200 55.201 -0.001 18547 19297 1 20 . 1 1 50 50 ALA CB C 40 18.800 18.800 18.412 0.388 18547 19298 1 20 . 1 1 50 50 ALA H H 40 7.770 7.770 8.273 -0.503 18547 19299 1 20 . 1 1 51 51 CYS N N 41 109.400 109.400 114.339 -4.939 18547 19300 1 20 . 1 1 51 51 CYS HA H 41 4.510 4.510 4.702 -0.192 18547 19301 1 20 . 1 1 51 51 CYS C C 41 172.200 172.200 176.138 -3.938 18547 19302 1 20 . 1 1 51 51 CYS CA C 41 61.100 61.100 61.297 -0.197 18547 19303 1 20 . 1 1 51 51 CYS CB C 41 29.800 29.800 27.416 2.384 18547 19304 1 20 . 1 1 51 51 CYS H H 41 7.080 7.080 7.844 -0.764 18547 19305 1 20 . 1 1 52 52 THR N N 42 100.100 100.100 112.800 -12.700 18547 19306 1 20 . 1 1 52 52 THR HA H 42 4.240 4.240 4.202 0.038 18547 19307 1 20 . 1 1 52 52 THR C C 42 173.500 173.500 174.730 -1.230 18547 19308 1 20 . 1 1 52 52 THR CA C 42 62.200 62.200 61.670 0.530 18547 19309 1 20 . 1 1 52 52 THR CB C 42 71.800 71.800 69.595 2.205 18547 19310 1 20 . 1 1 52 52 THR H H 42 6.800 6.800 7.527 -0.727 18547 19311 1 20 . 1 1 53 53 ASP N N 43 123.000 123.000 124.868 -1.868 18547 19312 1 20 . 1 1 53 53 ASP HA H 43 5.080 5.080 4.713 0.367 18547 19313 1 20 . 1 1 53 53 ASP CA C 43 50.600 50.600 52.278 -1.678 18547 19314 1 20 . 1 1 53 53 ASP CB C 43 42.000 42.000 42.468 -0.468 18547 19315 1 20 . 1 1 53 53 ASP H H 43 8.040 8.040 7.808 0.232 18547 19316 1 20 . 1 1 54 54 PRO HA H 44 3.960 3.960 4.109 -0.149 18547 19317 1 20 . 1 1 54 54 PRO C C 44 176.300 176.300 178.104 -1.804 18547 19318 1 20 . 1 1 54 54 PRO CA C 44 65.900 65.900 65.129 0.771 18547 19319 1 20 . 1 1 54 54 PRO CB C 44 32.700 32.700 32.159 0.541 18547 19320 1 20 . 1 1 55 55 ASN N N 45 112.700 112.700 117.592 -4.892 18547 19321 1 20 . 1 1 55 55 ASN HA H 45 4.520 4.520 4.651 -0.131 18547 19322 1 20 . 1 1 55 55 ASN C C 45 175.900 175.900 177.725 -1.825 18547 19323 1 20 . 1 1 55 55 ASN CA C 45 55.100 55.100 56.171 -1.071 18547 19324 1 20 . 1 1 55 55 ASN CB C 45 38.900 38.900 38.542 0.358 18547 19325 1 20 . 1 1 55 55 ASN H H 45 8.160 8.160 7.890 0.270 18547 19326 1 20 . 1 1 56 56 ARG N N 46 117.700 117.700 119.349 -1.649 18547 19327 1 20 . 1 1 56 56 ARG HA H 46 4.250 4.250 4.035 0.215 18547 19328 1 20 . 1 1 56 56 ARG C C 46 177.100 177.100 178.861 -1.761 18547 19329 1 20 . 1 1 56 56 ARG CA C 46 58.400 58.400 58.391 0.009 18547 19330 1 20 . 1 1 56 56 ARG CB C 46 31.800 31.800 29.895 1.905 18547 19331 1 20 . 1 1 56 56 ARG H H 46 7.940 7.940 8.041 -0.101 18547 19332 1 20 . 1 1 57 57 ILE N N 47 120.100 120.100 119.243 0.857 18547 19333 1 20 . 1 1 57 57 ILE HA H 47 3.420 3.420 3.454 -0.034 18547 19334 1 20 . 1 1 57 57 ILE C C 47 177.400 177.400 177.181 0.219 18547 19335 1 20 . 1 1 57 57 ILE CA C 47 64.400 64.400 64.470 -0.070 18547 19336 1 20 . 1 1 57 57 ILE CB C 47 39.500 39.500 37.630 1.870 18547 19337 1 20 . 1 1 57 57 ILE H H 47 8.610 8.610 7.785 0.825 18547 19338 1 20 . 1 1 58 58 ASN N N 48 112.100 112.100 116.252 -4.152 18547 19339 1 20 . 1 1 58 58 ASN HA H 48 3.780 3.780 4.342 -0.562 18547 19340 1 20 . 1 1 58 58 ASN C C 48 175.300 175.300 176.454 -1.154 18547 19341 1 20 . 1 1 58 58 ASN CA C 48 54.400 54.400 54.978 -0.578 18547 19342 1 20 . 1 1 58 58 ASN CB C 48 38.200 38.200 38.184 0.017 18547 19343 1 20 . 1 1 58 58 ASN H H 48 7.440 7.440 8.134 -0.694 18547 19344 1 20 . 1 1 59 59 ARG N N 49 115.600 115.600 120.437 -4.837 18547 19345 1 20 . 1 1 59 59 ARG HA H 49 4.120 4.120 4.007 0.113 18547 19346 1 20 . 1 1 59 59 ARG C C 49 174.700 174.700 177.223 -2.523 18547 19347 1 20 . 1 1 59 59 ARG CA C 49 55.900 55.900 58.444 -2.545 18547 19348 1 20 . 1 1 59 59 ARG CB C 49 29.900 29.900 29.758 0.142 18547 19349 1 20 . 1 1 59 59 ARG H H 49 7.370 7.370 7.573 -0.203 18547 19350 1 20 . 1 1 60 60 TRP N N 50 112.500 112.500 115.313 -2.813 18547 19351 1 20 . 1 1 60 60 TRP HA H 50 4.860 4.860 4.877 -0.017 18547 19352 1 20 . 1 1 60 60 TRP C C 50 173.400 173.400 177.141 -3.741 18547 19353 1 20 . 1 1 60 60 TRP CA C 50 55.800 55.800 56.668 -0.868 18547 19354 1 20 . 1 1 60 60 TRP CB C 50 31.500 31.500 29.541 1.959 18547 19355 1 20 . 1 1 60 60 TRP H H 50 6.860 6.860 7.372 -0.512 18547 19356 1 20 . 1 1 61 61 PHE N N 51 126.400 126.400 119.973 6.427 18547 19357 1 20 . 1 1 61 61 PHE HA H 51 4.690 4.690 4.509 0.181 18547 19358 1 20 . 1 1 61 61 PHE C C 51 173.000 173.000 175.159 -2.159 18547 19359 1 20 . 1 1 61 61 PHE CA C 51 55.000 55.000 56.504 -1.504 18547 19360 1 20 . 1 1 61 61 PHE CB C 51 37.600 37.600 40.086 -2.486 18547 19361 1 20 . 1 1 61 61 PHE H H 51 7.830 7.830 7.060 0.770 18547 19362 1 20 . 1 1 62 62 ILE N N 52 126.800 126.800 120.014 6.786 18547 19363 1 20 . 1 1 62 62 ILE HA H 52 3.760 3.760 3.916 -0.156 18547 19364 1 20 . 1 1 62 62 ILE C C 52 172.600 172.600 175.069 -2.469 18547 19365 1 20 . 1 1 62 62 ILE CA C 52 59.900 59.900 60.355 -0.454 18547 19366 1 20 . 1 1 62 62 ILE CB C 52 41.600 41.600 38.377 3.223 18547 19367 1 20 . 1 1 62 62 ILE H H 52 6.010 6.010 6.850 -0.840 18547 19368 1 20 . 1 1 63 63 GLU N N 53 124.400 124.400 122.084 2.316 18547 19369 1 20 . 1 1 63 63 GLU HA H 53 3.850 3.850 4.180 -0.330 18547 19370 1 20 . 1 1 63 63 GLU CA C 53 54.800 54.800 53.934 0.866 18547 19371 1 20 . 1 1 63 63 GLU CB C 53 31.700 31.700 29.033 2.667 18547 19372 1 20 . 1 1 63 63 GLU H H 53 8.280 8.280 8.240 0.040 18547 19373 1 20 . 1 1 64 64 PRO HA H 54 4.920 4.920 4.594 0.326 18547 19374 1 20 . 1 1 64 64 PRO C C 54 175.500 175.500 175.902 -0.402 18547 19375 1 20 . 1 1 64 64 PRO CA C 54 62.000 62.000 61.734 0.266 18547 19376 1 20 . 1 1 64 64 PRO CB C 54 31.800 31.800 31.597 0.203 18547 19377 1 20 . 1 1 65 65 LYS N N 55 120.200 120.200 125.442 -5.242 18547 19378 1 20 . 1 1 65 65 LYS HA H 55 4.780 4.780 4.323 0.457 18547 19379 1 20 . 1 1 65 65 LYS C C 55 176.000 176.000 176.429 -0.429 18547 19380 1 20 . 1 1 65 65 LYS CA C 55 54.200 54.200 55.897 -1.697 18547 19381 1 20 . 1 1 65 65 LYS CB C 55 35.300 35.300 31.416 3.884 18547 19382 1 20 . 1 1 65 65 LYS H H 55 8.370 8.370 8.448 -0.078 18547 19383 1 20 . 1 1 66 66 GLY N N 56 109.400 109.400 112.954 -3.554 18547 19384 1 20 . 1 1 66 66 GLY C C 56 171.400 171.400 173.526 -2.126 18547 19385 1 20 . 1 1 66 66 GLY CA C 56 45.400 45.400 45.397 0.003 18547 19386 1 20 . 1 1 66 66 GLY H H 56 8.640 8.640 7.782 0.858 18547 19387 1 20 . 1 1 67 67 ASP N N 57 123.800 123.800 121.694 2.106 18547 19388 1 20 . 1 1 67 67 ASP HA H 57 4.900 4.900 4.736 0.164 18547 19389 1 20 . 1 1 67 67 ASP C C 57 175.600 175.600 177.139 -1.539 18547 19390 1 20 . 1 1 67 67 ASP CA C 57 52.400 52.400 56.112 -3.712 18547 19391 1 20 . 1 1 67 67 ASP CB C 57 40.700 40.700 41.568 -0.868 18547 19392 1 20 . 1 1 67 67 ASP H H 57 7.790 7.790 8.446 -0.656 18547 19393 1 20 . 1 1 68 68 LEU N N 58 122.800 122.800 114.873 7.927 18547 19394 1 20 . 1 1 68 68 LEU HA H 58 4.270 4.270 3.995 0.275 18547 19395 1 20 . 1 1 68 68 LEU C C 58 173.700 173.700 175.649 -1.949 18547 19396 1 20 . 1 1 68 68 LEU CA C 58 54.500 54.500 55.767 -1.267 18547 19397 1 20 . 1 1 68 68 LEU CB C 58 38.300 38.300 40.401 -2.101 18547 19398 1 20 . 1 1 68 68 LEU H H 58 8.330 8.330 7.745 0.585 18547 19399 1 20 . 1 1 69 69 ARG N N 59 121.800 121.800 117.000 4.800 18547 19400 1 20 . 1 1 69 69 ARG HA H 59 4.710 4.710 4.637 0.073 18547 19401 1 20 . 1 1 69 69 ARG CA C 59 54.100 54.100 53.231 0.869 18547 19402 1 20 . 1 1 69 69 ARG CB C 59 31.800 31.800 32.968 -1.168 18547 19403 1 20 . 1 1 69 69 ARG H H 59 8.120 8.120 7.595 0.525 18547 19404 1 20 . 1 1 70 70 GLU N N 60 122.800 122.800 122.898 -0.098 18547 19405 1 20 . 1 1 70 70 GLU HA H 60 3.870 3.870 4.086 -0.216 18547 19406 1 20 . 1 1 70 70 GLU C C 60 177.200 177.200 177.197 0.003 18547 19407 1 20 . 1 1 70 70 GLU CA C 60 60.000 60.000 57.714 2.286 18547 19408 1 20 . 1 1 70 70 GLU CB C 60 30.200 30.200 29.162 1.038 18547 19409 1 20 . 1 1 70 70 GLU H H 60 9.130 9.130 8.662 0.468 18547 19410 1 20 . 1 1 71 71 GLY N N 61 117.100 117.100 115.053 2.047 18547 19411 1 20 . 1 1 71 71 GLY C C 61 174.900 174.900 174.293 0.607 18547 19412 1 20 . 1 1 71 71 GLY CA C 61 45.600 45.600 44.701 0.899 18547 19413 1 20 . 1 1 71 71 GLY H H 61 8.710 8.710 8.489 0.221 18547 19414 1 20 . 1 1 72 72 GLY N N 62 110.300 110.300 110.702 -0.402 18547 19415 1 20 . 1 1 72 72 GLY C C 62 174.200 174.200 172.314 1.886 18547 19416 1 20 . 1 1 72 72 GLY CA C 62 43.400 43.400 43.866 -0.466 18547 19417 1 20 . 1 1 72 72 GLY H H 62 8.760 8.760 7.991 0.769 18547 19418 1 20 . 1 1 73 73 ASN N N 63 117.800 117.800 116.093 1.707 18547 19419 1 20 . 1 1 73 73 ASN HA H 63 5.490 5.490 4.947 0.543 18547 19420 1 20 . 1 1 73 73 ASN C C 63 171.400 171.400 173.391 -1.991 18547 19421 1 20 . 1 1 73 73 ASN CA C 63 52.900 52.900 52.571 0.329 18547 19422 1 20 . 1 1 73 73 ASN CB C 63 41.500 41.500 41.724 -0.224 18547 19423 1 20 . 1 1 73 73 ASN H H 63 8.890 8.890 8.400 0.490 18547 19424 1 20 . 1 1 74 74 PHE N N 64 113.500 113.500 113.914 -0.414 18547 19425 1 20 . 1 1 74 74 PHE HA H 64 5.500 5.500 5.404 0.096 18547 19426 1 20 . 1 1 74 74 PHE C C 64 173.200 173.200 174.009 -0.809 18547 19427 1 20 . 1 1 74 74 PHE CA C 64 55.900 55.900 55.075 0.825 18547 19428 1 20 . 1 1 74 74 PHE CB C 64 44.600 44.600 42.762 1.838 18547 19429 1 20 . 1 1 74 74 PHE H H 64 8.700 8.700 8.088 0.612 18547 19430 1 20 . 1 1 75 75 ALA N N 65 122.200 122.200 121.619 0.581 18547 19431 1 20 . 1 1 75 75 ALA HA H 65 4.350 4.350 4.381 -0.031 18547 19432 1 20 . 1 1 75 75 ALA C C 65 176.000 176.000 175.496 0.504 18547 19433 1 20 . 1 1 75 75 ALA CA C 65 52.500 52.500 51.789 0.711 18547 19434 1 20 . 1 1 75 75 ALA CB C 65 21.800 21.800 20.582 1.218 18547 19435 1 20 . 1 1 75 75 ALA H H 65 8.690 8.690 7.872 0.818 18547 19436 1 20 . 1 1 76 76 LEU N N 66 123.800 123.800 123.726 0.074 18547 19437 1 20 . 1 1 76 76 LEU HA H 66 4.520 4.520 4.651 -0.131 18547 19438 1 20 . 1 1 76 76 LEU C C 66 175.800 175.800 177.262 -1.462 18547 19439 1 20 . 1 1 76 76 LEU CA C 66 52.500 52.500 53.685 -1.185 18547 19440 1 20 . 1 1 76 76 LEU CB C 66 42.400 42.400 42.925 -0.524 18547 19441 1 20 . 1 1 76 76 LEU H H 66 8.350 8.350 8.204 0.146 18547 19442 1 20 . 1 1 77 77 GLN N N 67 127.400 127.400 119.555 7.845 18547 19443 1 20 . 1 1 77 77 GLN HA H 67 3.900 3.900 4.222 -0.322 18547 19444 1 20 . 1 1 77 77 GLN C C 67 176.600 176.600 176.650 -0.050 18547 19445 1 20 . 1 1 77 77 GLN CA C 67 57.800 57.800 56.180 1.620 18547 19446 1 20 . 1 1 77 77 GLN CB C 67 28.000 28.000 29.066 -1.065 18547 19447 1 20 . 1 1 77 77 GLN H H 67 8.590 8.590 8.495 0.095 18547 19448 1 20 . 1 1 78 78 GLY N N 68 114.800 114.800 114.812 -0.012 18547 19449 1 20 . 1 1 78 78 GLY C C 68 173.700 173.700 173.968 -0.268 18547 19450 1 20 . 1 1 78 78 GLY CA C 68 45.700 45.700 45.586 0.114 18547 19451 1 20 . 1 1 78 78 GLY H H 68 8.920 8.920 8.946 -0.026 18547 19452 1 20 . 1 1 79 79 ASN N N 69 124.000 124.000 117.629 6.371 18547 19453 1 20 . 1 1 79 79 ASN HA H 69 4.600 4.600 4.836 -0.236 18547 19454 1 20 . 1 1 79 79 ASN C C 69 173.300 173.300 172.926 0.374 18547 19455 1 20 . 1 1 79 79 ASN CA C 69 52.900 52.900 53.414 -0.514 18547 19456 1 20 . 1 1 79 79 ASN CB C 69 41.600 41.600 39.429 2.171 18547 19457 1 20 . 1 1 79 79 ASN H H 69 8.360 8.360 8.403 -0.043 18547 19458 1 20 . 1 1 80 80 ALA N N 70 127.200 127.200 120.124 7.076 18547 19459 1 20 . 1 1 80 80 ALA HA H 70 4.170 4.170 4.450 -0.280 18547 19460 1 20 . 1 1 80 80 ALA C C 70 174.500 174.500 175.003 -0.503 18547 19461 1 20 . 1 1 80 80 ALA CA C 70 52.500 52.500 51.186 1.314 18547 19462 1 20 . 1 1 80 80 ALA CB C 70 18.600 18.600 21.052 -2.452 18547 19463 1 20 . 1 1 80 80 ALA H H 70 8.930 8.930 7.739 1.191 18547 19464 1 20 . 1 1 81 81 SER N N 71 111.000 111.000 114.146 -3.146 18547 19465 1 20 . 1 1 81 81 SER HA H 71 4.170 4.170 4.407 -0.237 18547 19466 1 20 . 1 1 81 81 SER C C 71 170.900 170.900 173.318 -2.418 18547 19467 1 20 . 1 1 81 81 SER CA C 71 56.300 56.300 56.299 0.001 18547 19468 1 20 . 1 1 81 81 SER CB C 71 66.600 66.600 64.914 1.686 18547 19469 1 20 . 1 1 81 81 SER H H 71 7.980 7.980 8.160 -0.180 18547 19470 1 20 . 1 1 82 82 GLY N N 72 102.700 102.700 105.817 -3.117 18547 19471 1 20 . 1 1 82 82 GLY C C 72 171.700 171.700 171.242 0.458 18547 19472 1 20 . 1 1 82 82 GLY CA C 72 46.200 46.200 44.142 2.058 18547 19473 1 20 . 1 1 82 82 GLY H H 72 6.940 6.940 7.745 -0.805 18547 19474 1 20 . 1 1 83 83 ASP N N 73 117.900 117.900 118.368 -0.468 18547 19475 1 20 . 1 1 83 83 ASP HA H 73 5.430 5.430 4.886 0.544 18547 19476 1 20 . 1 1 83 83 ASP C C 73 176.100 176.100 174.560 1.540 18547 19477 1 20 . 1 1 83 83 ASP CA C 73 52.700 52.700 53.557 -0.857 18547 19478 1 20 . 1 1 83 83 ASP CB C 73 43.600 43.600 44.736 -1.136 18547 19479 1 20 . 1 1 83 83 ASP H H 73 8.770 8.770 8.028 0.742 18547 19480 1 20 . 1 1 84 84 ILE N N 74 120.200 120.200 124.686 -4.486 18547 19481 1 20 . 1 1 84 84 ILE HA H 74 4.530 4.530 4.438 0.092 18547 19482 1 20 . 1 1 84 84 ILE C C 74 175.600 175.600 176.379 -0.779 18547 19483 1 20 . 1 1 84 84 ILE CA C 74 61.700 61.700 59.968 1.732 18547 19484 1 20 . 1 1 84 84 ILE CB C 74 36.700 36.700 36.910 -0.210 18547 19485 1 20 . 1 1 84 84 ILE H H 74 8.060 8.060 8.177 -0.117 18547 19486 1 20 . 1 1 85 85 LEU N N 75 130.400 130.400 124.707 5.693 18547 19487 1 20 . 1 1 85 85 LEU HA H 75 4.330 4.330 4.356 -0.026 18547 19488 1 20 . 1 1 85 85 LEU C C 75 178.100 178.100 176.876 1.224 18547 19489 1 20 . 1 1 85 85 LEU CA C 75 57.000 57.000 56.486 0.514 18547 19490 1 20 . 1 1 85 85 LEU CB C 75 42.000 42.000 42.223 -0.223 18547 19491 1 20 . 1 1 85 85 LEU H H 75 8.710 8.710 8.067 0.643 18547 19492 1 20 . 1 1 86 86 ARG N N 76 115.700 115.700 116.129 -0.429 18547 19493 1 20 . 1 1 86 86 ARG HA H 76 4.840 4.840 5.039 -0.199 18547 19494 1 20 . 1 1 86 86 ARG C C 76 174.900 174.900 174.348 0.552 18547 19495 1 20 . 1 1 86 86 ARG CA C 76 54.700 54.700 54.805 -0.105 18547 19496 1 20 . 1 1 86 86 ARG CB C 76 33.900 33.900 33.198 0.702 18547 19497 1 20 . 1 1 86 86 ARG H H 76 8.130 8.130 7.694 0.436 18547 19498 1 20 . 1 1 87 87 CYS N N 77 127.100 127.100 121.244 5.856 18547 19499 1 20 . 1 1 87 87 CYS HA H 77 5.130 5.130 4.999 0.131 18547 19500 1 20 . 1 1 87 87 CYS C C 77 171.700 171.700 174.598 -2.898 18547 19501 1 20 . 1 1 87 87 CYS CA C 77 54.600 54.600 57.301 -2.701 18547 19502 1 20 . 1 1 87 87 CYS CB C 77 33.000 33.000 29.814 3.186 18547 19503 1 20 . 1 1 87 87 CYS H H 77 10.630 10.630 8.997 1.633 18547 19504 1 20 . 1 1 88 88 GLU N N 78 128.200 128.200 125.678 2.522 18547 19505 1 20 . 1 1 88 88 GLU HA H 78 4.950 4.950 4.839 0.111 18547 19506 1 20 . 1 1 88 88 GLU CA C 78 52.100 52.100 52.871 -0.771 18547 19507 1 20 . 1 1 88 88 GLU CB C 78 30.500 30.500 31.384 -0.884 18547 19508 1 20 . 1 1 88 88 GLU H H 78 9.460 9.460 8.967 0.493 18547 19509 1 20 . 1 1 89 89 PRO HA H 79 2.780 2.780 3.248 -0.468 18547 19510 1 20 . 1 1 89 89 PRO CA C 79 60.500 60.500 60.842 -0.342 18547 19511 1 20 . 1 1 89 89 PRO CB C 79 31.600 31.600 30.910 0.690 18547 19512 1 20 . 1 1 90 90 PRO HA H 80 2.250 2.250 3.736 -1.486 18547 19513 1 20 . 1 1 90 90 PRO C C 80 171.400 171.400 176.544 -5.144 18547 19514 1 20 . 1 1 90 90 PRO CA C 80 63.700 63.700 62.141 1.559 18547 19515 1 20 . 1 1 90 90 PRO CB C 80 30.500 30.500 31.808 -1.308 18547 19516 1 20 . 1 1 91 91 ARG N N 81 113.700 113.700 118.159 -4.459 18547 19517 1 20 . 1 1 91 91 ARG HA H 81 4.700 4.700 4.362 0.338 18547 19518 1 20 . 1 1 91 91 ARG C C 81 176.500 176.500 176.613 -0.113 18547 19519 1 20 . 1 1 91 91 ARG CA C 81 57.400 57.400 57.551 -0.151 18547 19520 1 20 . 1 1 91 91 ARG CB C 81 34.200 34.200 31.255 2.945 18547 19521 1 20 . 1 1 91 91 ARG H H 81 7.640 7.640 7.708 -0.068 18547 19522 1 20 . 1 1 92 92 ARG N N 82 121.000 121.000 113.973 7.027 18547 19523 1 20 . 1 1 92 92 ARG HA H 82 5.700 5.700 5.364 0.336 18547 19524 1 20 . 1 1 92 92 ARG C C 82 172.700 172.700 173.873 -1.173 18547 19525 1 20 . 1 1 92 92 ARG CA C 82 55.900 55.900 55.298 0.602 18547 19526 1 20 . 1 1 92 92 ARG CB C 82 34.100 34.100 33.994 0.106 18547 19527 1 20 . 1 1 92 92 ARG H H 82 7.710 7.710 8.185 -0.475 18547 19528 1 20 . 1 1 93 93 LEU N N 83 130.800 130.800 123.362 7.438 18547 19529 1 20 . 1 1 93 93 LEU HA H 83 5.250 5.250 5.097 0.153 18547 19530 1 20 . 1 1 93 93 LEU C C 83 174.000 174.000 174.579 -0.579 18547 19531 1 20 . 1 1 93 93 LEU CA C 83 53.700 53.700 54.357 -0.657 18547 19532 1 20 . 1 1 93 93 LEU CB C 83 47.100 47.100 45.373 1.727 18547 19533 1 20 . 1 1 93 93 LEU H H 83 9.080 9.080 8.639 0.441 18547 19534 1 20 . 1 1 94 94 THR N N 84 124.200 124.200 123.493 0.707 18547 19535 1 20 . 1 1 94 94 THR HA H 84 5.340 5.340 5.109 0.231 18547 19536 1 20 . 1 1 94 94 THR C C 84 174.100 174.100 173.704 0.396 18547 19537 1 20 . 1 1 94 94 THR CA C 84 62.700 62.700 61.839 0.861 18547 19538 1 20 . 1 1 94 94 THR CB C 84 69.600 69.600 69.725 -0.125 18547 19539 1 20 . 1 1 94 94 THR H H 84 9.310 9.310 8.433 0.877 18547 19540 1 20 . 1 1 95 95 ILE N N 85 121.600 121.600 122.481 -0.881 18547 19541 1 20 . 1 1 95 95 ILE HA H 85 5.630 5.630 5.407 0.223 18547 19542 1 20 . 1 1 95 95 ILE C C 85 175.000 175.000 174.252 0.748 18547 19543 1 20 . 1 1 95 95 ILE CA C 85 59.300 59.300 58.558 0.742 18547 19544 1 20 . 1 1 95 95 ILE CB C 85 40.900 40.900 41.736 -0.836 18547 19545 1 20 . 1 1 95 95 ILE H H 85 9.700 9.700 9.064 0.636 18547 19546 1 20 . 1 1 96 96 SER N N 86 117.900 117.900 116.628 1.272 18547 19547 1 20 . 1 1 96 96 SER HA H 86 5.270 5.270 5.165 0.105 18547 19548 1 20 . 1 1 96 96 SER C C 86 172.200 172.200 174.007 -1.807 18547 19549 1 20 . 1 1 96 96 SER CA C 86 57.600 57.600 57.407 0.193 18547 19550 1 20 . 1 1 96 96 SER CB C 86 65.700 65.700 65.264 0.436 18547 19551 1 20 . 1 1 96 96 SER H H 86 9.290 9.290 8.640 0.650 18547 19552 1 20 . 1 1 97 97 TRP N N 87 120.000 120.000 125.256 -5.256 18547 19553 1 20 . 1 1 97 97 TRP HA H 87 5.130 5.130 5.057 0.073 18547 19554 1 20 . 1 1 97 97 TRP C C 87 175.500 175.500 174.519 0.981 18547 19555 1 20 . 1 1 97 97 TRP CA C 87 57.900 57.900 56.377 1.523 18547 19556 1 20 . 1 1 97 97 TRP CB C 87 31.500 31.500 32.105 -0.605 18547 19557 1 20 . 1 1 97 97 TRP H H 87 7.790 7.790 8.372 -0.582 18547 19558 1 20 . 1 1 98 98 VAL N N 88 132.200 132.200 129.795 2.405 18547 19559 1 20 . 1 1 98 98 VAL HA H 88 4.460 4.460 4.250 0.210 18547 19560 1 20 . 1 1 98 98 VAL C C 88 175.100 175.100 174.155 0.945 18547 19561 1 20 . 1 1 98 98 VAL CA C 88 62.000 62.000 62.282 -0.282 18547 19562 1 20 . 1 1 98 98 VAL CB C 88 32.500 32.500 30.302 2.198 18547 19563 1 20 . 1 1 98 98 VAL H H 88 9.620 9.620 8.572 1.048 18547 19564 1 20 . 1 1 99 99 TYR N N 89 130.300 130.300 129.098 1.202 18547 19565 1 20 . 1 1 99 99 TYR HA H 89 4.440 4.440 4.778 -0.338 18547 19566 1 20 . 1 1 99 99 TYR C C 89 173.900 173.900 175.819 -1.919 18547 19567 1 20 . 1 1 99 99 TYR CA C 89 56.800 56.800 55.942 0.858 18547 19568 1 20 . 1 1 99 99 TYR CB C 89 42.100 42.100 42.350 -0.250 18547 19569 1 20 . 1 1 99 99 TYR H H 89 9.670 9.670 8.943 0.727 18547 19570 1 20 . 1 1 100 100 GLU N N 90 127.100 127.100 123.165 3.935 18547 19571 1 20 . 1 1 100 100 GLU HA H 90 3.940 3.940 3.883 0.057 18547 19572 1 20 . 1 1 100 100 GLU C C 90 176.700 176.700 177.308 -0.608 18547 19573 1 20 . 1 1 100 100 GLU CA C 90 58.300 58.300 57.281 1.019 18547 19574 1 20 . 1 1 100 100 GLU CB C 90 29.200 29.200 27.620 1.580 18547 19575 1 20 . 1 1 100 100 GLU H H 90 8.080 8.080 8.094 -0.014 18547 19576 1 20 . 1 1 101 101 GLY N N 91 113.100 113.100 112.709 0.391 18547 19577 1 20 . 1 1 101 101 GLY C C 91 173.900 173.900 174.303 -0.403 18547 19578 1 20 . 1 1 101 101 GLY CA C 91 45.200 45.200 45.899 -0.699 18547 19579 1 20 . 1 1 101 101 GLY H H 91 8.850 8.850 8.352 0.498 18547 19580 1 20 . 1 1 102 102 LYS N N 92 120.100 120.100 120.284 -0.184 18547 19581 1 20 . 1 1 102 102 LYS HA H 92 4.990 4.990 5.014 -0.024 18547 19582 1 20 . 1 1 102 102 LYS CA C 92 52.500 52.500 53.175 -0.675 18547 19583 1 20 . 1 1 102 102 LYS CB C 92 33.200 33.200 33.605 -0.405 18547 19584 1 20 . 1 1 102 102 LYS H H 92 8.270 8.270 7.818 0.452 18547 19585 1 20 . 1 1 103 103 PRO HA H 93 4.620 4.620 4.435 0.185 18547 19586 1 20 . 1 1 103 103 PRO C C 93 176.700 176.700 176.592 0.108 18547 19587 1 20 . 1 1 103 103 PRO CA C 93 62.400 62.400 63.425 -1.025 18547 19588 1 20 . 1 1 103 103 PRO CB C 93 31.400 31.400 32.122 -0.722 18547 19589 1 20 . 1 1 104 104 ASP N N 94 124.500 124.500 121.040 3.460 18547 19590 1 20 . 1 1 104 104 ASP HA H 94 4.860 4.860 4.251 0.609 18547 19591 1 20 . 1 1 104 104 ASP C C 94 177.100 177.100 174.628 2.472 18547 19592 1 20 . 1 1 104 104 ASP CA C 94 55.900 55.900 55.090 0.811 18547 19593 1 20 . 1 1 104 104 ASP CB C 94 40.500 40.500 40.401 0.099 18547 19594 1 20 . 1 1 104 104 ASP H H 94 8.850 8.850 8.645 0.205 18547 19595 1 20 . 1 1 105 105 SER N N 95 118.600 118.600 117.211 1.389 18547 19596 1 20 . 1 1 105 105 SER HA H 95 5.280 5.280 4.741 0.539 18547 19597 1 20 . 1 1 105 105 SER C C 95 173.700 173.700 173.159 0.541 18547 19598 1 20 . 1 1 105 105 SER CA C 95 57.900 57.900 57.628 0.272 18547 19599 1 20 . 1 1 105 105 SER CB C 95 65.600 65.600 65.777 -0.177 18547 19600 1 20 . 1 1 105 105 SER H H 95 9.260 9.260 8.139 1.121 18547 19601 1 20 . 1 1 106 106 GLU N N 96 124.100 124.100 125.841 -1.741 18547 19602 1 20 . 1 1 106 106 GLU HA H 96 5.180 5.180 4.710 0.470 18547 19603 1 20 . 1 1 106 106 GLU C C 96 172.400 172.400 175.111 -2.711 18547 19604 1 20 . 1 1 106 106 GLU CA C 96 57.200 57.200 55.166 2.034 18547 19605 1 20 . 1 1 106 106 GLU CB C 96 36.100 36.100 30.926 5.174 18547 19606 1 20 . 1 1 106 106 GLU H H 96 8.620 8.620 8.298 0.322 18547 19607 1 20 . 1 1 107 107 VAL N N 97 128.100 128.100 126.535 1.565 18547 19608 1 20 . 1 1 107 107 VAL HA H 97 4.770 4.770 4.842 -0.072 18547 19609 1 20 . 1 1 107 107 VAL C C 97 173.100 173.100 174.626 -1.526 18547 19610 1 20 . 1 1 107 107 VAL CA C 97 60.100 60.100 59.937 0.163 18547 19611 1 20 . 1 1 107 107 VAL CB C 97 34.200 34.200 33.885 0.315 18547 19612 1 20 . 1 1 107 107 VAL H H 97 9.180 9.180 8.775 0.405 18547 19613 1 20 . 1 1 108 108 GLU N N 98 126.200 126.200 121.719 4.481 18547 19614 1 20 . 1 1 108 108 GLU HA H 98 5.580 5.580 5.243 0.337 18547 19615 1 20 . 1 1 108 108 GLU C C 98 172.100 172.100 173.874 -1.774 18547 19616 1 20 . 1 1 108 108 GLU CA C 98 54.200 54.200 54.359 -0.159 18547 19617 1 20 . 1 1 108 108 GLU CB C 98 35.200 35.200 33.972 1.228 18547 19618 1 20 . 1 1 108 108 GLU H H 98 9.300 9.300 9.023 0.277 18547 19619 1 20 . 1 1 109 109 LEU N N 99 128.600 128.600 123.548 5.052 18547 19620 1 20 . 1 1 109 109 LEU HA H 99 5.080 5.080 4.665 0.415 18547 19621 1 20 . 1 1 109 109 LEU C C 99 175.100 175.100 174.660 0.440 18547 19622 1 20 . 1 1 109 109 LEU CA C 99 52.700 52.700 53.599 -0.899 18547 19623 1 20 . 1 1 109 109 LEU CB C 99 46.400 46.400 44.812 1.588 18547 19624 1 20 . 1 1 109 109 LEU H H 99 9.330 9.330 8.450 0.880 18547 19625 1 20 . 1 1 110 110 ARG N N 100 124.700 124.700 127.333 -2.633 18547 19626 1 20 . 1 1 110 110 ARG HA H 100 5.390 5.390 4.936 0.454 18547 19627 1 20 . 1 1 110 110 ARG C C 100 175.400 175.400 174.109 1.291 18547 19628 1 20 . 1 1 110 110 ARG CA C 100 54.600 54.600 54.810 -0.210 18547 19629 1 20 . 1 1 110 110 ARG CB C 100 34.100 34.100 33.266 0.834 18547 19630 1 20 . 1 1 110 110 ARG H H 100 9.430 9.430 8.484 0.946 18547 19631 1 20 . 1 1 111 111 LEU N N 101 122.900 122.900 128.500 -5.600 18547 19632 1 20 . 1 1 111 111 LEU HA H 101 5.620 5.620 5.677 -0.057 18547 19633 1 20 . 1 1 111 111 LEU C C 101 177.100 177.100 175.143 1.957 18547 19634 1 20 . 1 1 111 111 LEU CA C 101 53.000 53.000 53.643 -0.643 18547 19635 1 20 . 1 1 111 111 LEU CB C 101 44.900 44.900 45.734 -0.834 18547 19636 1 20 . 1 1 111 111 LEU H H 101 9.120 9.120 8.792 0.328 18547 19637 1 20 . 1 1 112 112 SER N N 102 113.800 113.800 116.622 -2.822 18547 19638 1 20 . 1 1 112 112 SER HA H 102 4.690 4.690 4.834 -0.144 18547 19639 1 20 . 1 1 112 112 SER C C 102 172.700 172.700 172.904 -0.204 18547 19640 1 20 . 1 1 112 112 SER CA C 102 57.000 57.000 57.154 -0.154 18547 19641 1 20 . 1 1 112 112 SER CB C 102 65.700 65.700 66.477 -0.777 18547 19642 1 20 . 1 1 112 112 SER H H 102 8.770 8.770 8.468 0.302 18547 19643 1 20 . 1 1 113 113 GLU N N 103 123.400 123.400 124.198 -0.798 18547 19644 1 20 . 1 1 113 113 GLU HA H 103 4.440 4.440 4.335 0.105 18547 19645 1 20 . 1 1 113 113 GLU C C 103 176.600 176.600 176.295 0.305 18547 19646 1 20 . 1 1 113 113 GLU CA C 103 57.500 57.500 57.639 -0.139 18547 19647 1 20 . 1 1 113 113 GLU CB C 103 30.200 30.200 30.193 0.007 18547 19648 1 20 . 1 1 113 113 GLU H H 103 9.200 9.200 8.759 0.441 18547 19649 1 20 . 1 1 114 114 GLU N N 104 126.500 126.500 125.215 1.285 18547 19650 1 20 . 1 1 114 114 GLU HA H 104 4.450 4.450 4.452 -0.002 18547 19651 1 20 . 1 1 114 114 GLU C C 104 175.600 175.600 176.802 -1.202 18547 19652 1 20 . 1 1 114 114 GLU CA C 104 55.700 55.700 55.824 -0.124 18547 19653 1 20 . 1 1 114 114 GLU CB C 104 31.300 31.300 30.793 0.507 18547 19654 1 20 . 1 1 114 114 GLU H H 104 8.110 8.110 8.261 -0.151 18547 19655 1 20 . 1 1 115 115 GLY N N 105 118.000 118.000 119.226 -1.226 18547 19656 1 20 . 1 1 115 115 GLY C C 105 174.700 174.700 174.522 0.178 18547 19657 1 20 . 1 1 115 115 GLY CA C 105 47.100 47.100 46.827 0.273 18547 19658 1 20 . 1 1 115 115 GLY H H 105 9.030 9.030 8.722 0.308 18547 19659 1 20 . 1 1 116 116 ASP N N 106 126.200 126.200 125.066 1.134 18547 19660 1 20 . 1 1 116 116 ASP HA H 106 4.750 4.750 4.748 0.002 18547 19661 1 20 . 1 1 116 116 ASP C C 106 175.600 175.600 176.678 -1.078 18547 19662 1 20 . 1 1 116 116 ASP CA C 106 54.300 54.300 53.414 0.886 18547 19663 1 20 . 1 1 116 116 ASP CB C 106 40.800 40.800 41.828 -1.028 18547 19664 1 20 . 1 1 116 116 ASP H H 106 8.800 8.800 8.422 0.378 18547 19665 1 20 . 1 1 117 117 GLY N N 107 109.500 109.500 108.208 1.292 18547 19666 1 20 . 1 1 117 117 GLY C C 107 174.400 174.400 173.369 1.031 18547 19667 1 20 . 1 1 117 117 GLY CA C 107 44.800 44.800 44.690 0.111 18547 19668 1 20 . 1 1 117 117 GLY H H 107 8.040 8.040 8.030 0.010 18547 19669 1 20 . 1 1 118 118 THR N N 108 120.400 120.400 115.907 4.493 18547 19670 1 20 . 1 1 118 118 THR HA H 108 4.970 4.970 4.959 0.011 18547 19671 1 20 . 1 1 118 118 THR C C 108 173.000 173.000 173.093 -0.093 18547 19672 1 20 . 1 1 118 118 THR CA C 108 63.500 63.500 62.245 1.255 18547 19673 1 20 . 1 1 118 118 THR CB C 108 73.000 73.000 71.718 1.282 18547 19674 1 20 . 1 1 118 118 THR H H 108 9.010 9.010 8.327 0.683 18547 19675 1 20 . 1 1 119 119 LEU N N 109 129.000 129.000 129.945 -0.945 18547 19676 1 20 . 1 1 119 119 LEU HA H 109 4.790 4.790 4.775 0.015 18547 19677 1 20 . 1 1 119 119 LEU C C 109 173.500 173.500 174.239 -0.739 18547 19678 1 20 . 1 1 119 119 LEU CA C 109 54.300 54.300 54.220 0.080 18547 19679 1 20 . 1 1 119 119 LEU CB C 109 42.900 42.900 43.707 -0.807 18547 19680 1 20 . 1 1 119 119 LEU H H 109 9.410 9.410 9.011 0.399 18547 19681 1 20 . 1 1 120 120 LEU N N 110 132.200 132.200 129.180 3.020 18547 19682 1 20 . 1 1 120 120 LEU HA H 110 4.820 4.820 5.309 -0.489 18547 19683 1 20 . 1 1 120 120 LEU C C 110 174.100 174.100 174.955 -0.855 18547 19684 1 20 . 1 1 120 120 LEU CA C 110 54.900 54.900 53.565 1.335 18547 19685 1 20 . 1 1 120 120 LEU CB C 110 45.300 45.300 44.271 1.029 18547 19686 1 20 . 1 1 120 120 LEU H H 110 9.430 9.430 8.799 0.631 18547 19687 1 20 . 1 1 121 121 GLU N N 111 125.800 125.800 126.943 -1.143 18547 19688 1 20 . 1 1 121 121 GLU HA H 111 5.530 5.530 4.842 0.688 18547 19689 1 20 . 1 1 121 121 GLU C C 111 173.500 173.500 174.926 -1.426 18547 19690 1 20 . 1 1 121 121 GLU CA C 111 54.500 54.500 54.781 -0.281 18547 19691 1 20 . 1 1 121 121 GLU CB C 111 33.100 33.100 31.187 1.913 18547 19692 1 20 . 1 1 121 121 GLU H H 111 8.970 8.970 9.019 -0.049 18547 19693 1 20 . 1 1 122 122 LEU N N 112 127.300 127.300 128.327 -1.027 18547 19694 1 20 . 1 1 122 122 LEU HA H 112 5.030 5.030 4.853 0.177 18547 19695 1 20 . 1 1 122 122 LEU C C 112 173.700 173.700 174.848 -1.148 18547 19696 1 20 . 1 1 122 122 LEU CA C 112 53.200 53.200 53.432 -0.232 18547 19697 1 20 . 1 1 122 122 LEU CB C 112 45.400 45.400 43.640 1.760 18547 19698 1 20 . 1 1 122 122 LEU H H 112 8.950 8.950 8.629 0.321 18547 19699 1 20 . 1 1 123 123 GLU N N 113 127.900 127.900 128.676 -0.776 18547 19700 1 20 . 1 1 123 123 GLU HA H 113 5.750 5.750 5.090 0.660 18547 19701 1 20 . 1 1 123 123 GLU C C 113 174.200 174.200 174.571 -0.371 18547 19702 1 20 . 1 1 123 123 GLU CA C 113 52.900 52.900 54.416 -1.516 18547 19703 1 20 . 1 1 123 123 GLU CB C 113 33.300 33.300 32.027 1.273 18547 19704 1 20 . 1 1 123 123 GLU H H 113 9.350 9.350 8.457 0.893 18547 19705 1 20 . 1 1 124 124 HIS N N 114 128.200 128.200 127.071 1.129 18547 19706 1 20 . 1 1 124 124 HIS HA H 114 5.240 5.240 4.724 0.516 18547 19707 1 20 . 1 1 124 124 HIS C C 114 173.900 173.900 172.953 0.947 18547 19708 1 20 . 1 1 124 124 HIS CA C 114 54.300 54.300 54.180 0.120 18547 19709 1 20 . 1 1 124 124 HIS CB C 114 34.600 34.600 32.704 1.896 18547 19710 1 20 . 1 1 124 124 HIS H H 114 8.770 8.770 8.629 0.141 18547 19711 1 20 . 1 1 125 125 ALA N N 115 128.600 128.600 131.223 -2.623 18547 19712 1 20 . 1 1 125 125 ALA HA H 115 5.150 5.150 5.454 -0.304 18547 19713 1 20 . 1 1 125 125 ALA C C 115 175.400 175.400 175.894 -0.494 18547 19714 1 20 . 1 1 125 125 ALA CA C 115 50.100 50.100 50.342 -0.242 18547 19715 1 20 . 1 1 125 125 ALA CB C 115 22.500 22.500 20.633 1.867 18547 19716 1 20 . 1 1 125 125 ALA H H 115 9.360 9.360 8.593 0.767 18547 19717 1 20 . 1 1 126 126 THR N N 116 115.800 115.800 118.286 -2.486 18547 19718 1 20 . 1 1 126 126 THR HA H 116 4.960 4.960 4.694 0.266 18547 19719 1 20 . 1 1 126 126 THR C C 116 172.200 172.200 174.983 -2.783 18547 19720 1 20 . 1 1 126 126 THR CA C 116 58.800 58.800 60.559 -1.759 18547 19721 1 20 . 1 1 126 126 THR CB C 116 69.200 69.200 71.490 -2.291 18547 19722 1 20 . 1 1 126 126 THR H H 116 8.760 8.760 8.358 0.402 18547 19723 1 20 . 1 1 127 127 THR N N 117 116.000 116.000 120.280 -4.280 18547 19724 1 20 . 1 1 127 127 THR HA H 117 4.390 4.390 4.294 0.096 18547 19725 1 20 . 1 1 127 127 THR C C 117 174.400 174.400 174.689 -0.289 18547 19726 1 20 . 1 1 127 127 THR CA C 117 62.900 62.900 64.458 -1.558 18547 19727 1 20 . 1 1 127 127 THR CB C 117 68.800 68.800 68.926 -0.126 18547 19728 1 20 . 1 1 127 127 THR H H 117 8.460 8.460 8.707 -0.247 18547 19729 1 20 . 1 1 128 128 SER N N 118 116.400 116.400 117.878 -1.478 18547 19730 1 20 . 1 1 128 128 SER HA H 118 4.890 4.890 4.670 0.220 18547 19731 1 20 . 1 1 128 128 SER C C 118 174.700 174.700 174.257 0.443 18547 19732 1 20 . 1 1 128 128 SER CA C 118 55.400 55.400 57.175 -1.775 18547 19733 1 20 . 1 1 128 128 SER CB C 118 63.000 63.000 63.837 -0.838 18547 19734 1 20 . 1 1 128 128 SER H H 118 7.730 7.730 7.486 0.244 18547 19735 1 20 . 1 1 129 129 GLU N N 119 130.300 130.300 127.200 3.100 18547 19736 1 20 . 1 1 129 129 GLU HA H 119 3.940 3.940 3.902 0.038 18547 19737 1 20 . 1 1 129 129 GLU C C 119 178.400 178.400 178.309 0.091 18547 19738 1 20 . 1 1 129 129 GLU CA C 119 59.900 59.900 60.319 -0.419 18547 19739 1 20 . 1 1 129 129 GLU CB C 119 29.700 29.700 29.443 0.257 18547 19740 1 20 . 1 1 129 129 GLU H H 119 9.000 9.000 9.172 -0.172 18547 19741 1 20 . 1 1 130 130 GLN N N 120 117.300 117.300 117.919 -0.619 18547 19742 1 20 . 1 1 130 130 GLN HA H 120 4.120 4.120 4.095 0.025 18547 19743 1 20 . 1 1 130 130 GLN C C 120 177.900 177.900 177.946 -0.046 18547 19744 1 20 . 1 1 130 130 GLN CA C 120 58.400 58.400 58.812 -0.412 18547 19745 1 20 . 1 1 130 130 GLN CB C 120 28.000 28.000 27.621 0.379 18547 19746 1 20 . 1 1 130 130 GLN H H 120 8.410 8.410 8.741 -0.331 18547 19747 1 20 . 1 1 131 131 MET N N 121 118.300 118.300 120.111 -1.811 18547 19748 1 20 . 1 1 131 131 MET HA H 121 4.240 4.240 4.037 0.203 18547 19749 1 20 . 1 1 131 131 MET C C 121 176.400 176.400 178.097 -1.697 18547 19750 1 20 . 1 1 131 131 MET CA C 121 57.300 57.300 58.550 -1.250 18547 19751 1 20 . 1 1 131 131 MET CB C 121 32.400 32.400 31.843 0.557 18547 19752 1 20 . 1 1 131 131 MET H H 121 7.640 7.640 8.180 -0.540 18547 19753 1 20 . 1 1 132 132 LEU N N 122 118.700 118.700 119.318 -0.618 18547 19754 1 20 . 1 1 132 132 LEU HA H 122 3.630 3.630 3.748 -0.118 18547 19755 1 20 . 1 1 132 132 LEU C C 122 177.100 177.100 179.207 -2.107 18547 19756 1 20 . 1 1 132 132 LEU CA C 122 58.300 58.300 57.683 0.617 18547 19757 1 20 . 1 1 132 132 LEU CB C 122 41.900 41.900 41.741 0.159 18547 19758 1 20 . 1 1 132 132 LEU H H 122 7.470 7.470 7.776 -0.306 18547 19759 1 20 . 1 1 133 133 VAL N N 123 114.600 114.600 119.192 -4.592 18547 19760 1 20 . 1 1 133 133 VAL HA H 123 3.360 3.360 3.500 -0.140 18547 19761 1 20 . 1 1 133 133 VAL C C 123 176.700 176.700 177.827 -1.127 18547 19762 1 20 . 1 1 133 133 VAL CA C 123 66.600 66.600 66.862 -0.262 18547 19763 1 20 . 1 1 133 133 VAL CB C 123 31.800 31.800 31.498 0.302 18547 19764 1 20 . 1 1 133 133 VAL H H 123 7.040 7.040 7.558 -0.518 18547 19765 1 20 . 1 1 134 134 GLU N N 124 116.700 116.700 120.159 -3.459 18547 19766 1 20 . 1 1 134 134 GLU HA H 124 3.900 3.900 3.944 -0.044 18547 19767 1 20 . 1 1 134 134 GLU C C 124 180.700 180.700 179.012 1.688 18547 19768 1 20 . 1 1 134 134 GLU CA C 124 59.300 59.300 60.036 -0.736 18547 19769 1 20 . 1 1 134 134 GLU CB C 124 29.900 29.900 29.704 0.196 18547 19770 1 20 . 1 1 134 134 GLU H H 124 7.200 7.200 8.216 -1.016 18547 19771 1 20 . 1 1 135 135 VAL N N 125 114.700 114.700 113.644 1.056 18547 19772 1 20 . 1 1 135 135 VAL HA H 125 3.930 3.930 3.903 0.027 18547 19773 1 20 . 1 1 135 135 VAL C C 125 177.900 177.900 177.946 -0.046 18547 19774 1 20 . 1 1 135 135 VAL CA C 125 63.800 63.800 64.733 -0.933 18547 19775 1 20 . 1 1 135 135 VAL CB C 125 30.400 30.400 30.893 -0.493 18547 19776 1 20 . 1 1 135 135 VAL H H 125 8.620 8.620 7.904 0.716 18547 19777 1 20 . 1 1 136 136 GLY N N 126 112.200 112.200 108.794 3.406 18547 19778 1 20 . 1 1 136 136 GLY C C 126 174.800 174.800 175.423 -0.623 18547 19779 1 20 . 1 1 136 136 GLY CA C 126 47.200 47.200 46.553 0.646 18547 19780 1 20 . 1 1 136 136 GLY H H 126 7.750 7.750 7.692 0.058 18547 19781 1 20 . 1 1 137 137 VAL N N 127 119.100 119.100 122.399 -3.299 18547 19782 1 20 . 1 1 137 137 VAL HA H 127 3.510 3.510 3.853 -0.343 18547 19783 1 20 . 1 1 137 137 VAL C C 127 179.100 179.100 177.993 1.107 18547 19784 1 20 . 1 1 137 137 VAL CA C 127 67.400 67.400 65.409 1.991 18547 19785 1 20 . 1 1 137 137 VAL CB C 127 32.500 32.500 31.819 0.681 18547 19786 1 20 . 1 1 137 137 VAL H H 127 7.680 7.680 7.693 -0.013 18547 19787 1 20 . 1 1 138 138 GLY N N 128 106.300 106.300 107.909 -1.609 18547 19788 1 20 . 1 1 138 138 GLY C C 128 177.900 177.900 175.905 1.995 18547 19789 1 20 . 1 1 138 138 GLY CA C 128 47.300 47.300 47.376 -0.076 18547 19790 1 20 . 1 1 138 138 GLY H H 128 8.210 8.210 8.222 -0.012 18547 19791 1 20 . 1 1 139 139 TRP N N 129 122.500 122.500 121.637 0.863 18547 19792 1 20 . 1 1 139 139 TRP HA H 129 4.890 4.890 4.328 0.562 18547 19793 1 20 . 1 1 139 139 TRP C C 129 179.100 179.100 178.387 0.713 18547 19794 1 20 . 1 1 139 139 TRP CA C 129 59.800 59.800 60.205 -0.404 18547 19795 1 20 . 1 1 139 139 TRP CB C 129 30.100 30.100 29.377 0.723 18547 19796 1 20 . 1 1 139 139 TRP H H 129 8.880 8.880 7.880 1.000 18547 19797 1 20 . 1 1 140 140 GLU N N 130 119.000 119.000 118.778 0.222 18547 19798 1 20 . 1 1 140 140 GLU HA H 130 4.020 4.020 4.019 0.001 18547 19799 1 20 . 1 1 140 140 GLU C C 130 179.300 179.300 179.140 0.160 18547 19800 1 20 . 1 1 140 140 GLU CA C 130 62.900 62.900 59.362 3.538 18547 19801 1 20 . 1 1 140 140 GLU CB C 130 30.600 30.600 29.548 1.052 18547 19802 1 20 . 1 1 140 140 GLU H H 130 8.210 8.210 7.844 0.366 18547 19803 1 20 . 1 1 141 141 MET N N 131 117.100 117.100 119.236 -2.136 18547 19804 1 20 . 1 1 141 141 MET HA H 131 4.330 4.330 4.368 -0.038 18547 19805 1 20 . 1 1 141 141 MET C C 131 178.500 178.500 177.981 0.519 18547 19806 1 20 . 1 1 141 141 MET CA C 131 57.700 57.700 58.991 -1.291 18547 19807 1 20 . 1 1 141 141 MET CB C 131 30.600 30.600 32.888 -2.288 18547 19808 1 20 . 1 1 141 141 MET H H 131 8.210 8.210 8.382 -0.172 18547 19809 1 20 . 1 1 142 142 ALA N N 132 121.400 121.400 123.904 -2.504 18547 19810 1 20 . 1 1 142 142 ALA HA H 132 4.720 4.720 4.572 0.148 18547 19811 1 20 . 1 1 142 142 ALA C C 132 180.900 180.900 180.230 0.670 18547 19812 1 20 . 1 1 142 142 ALA CA C 132 55.700 55.700 55.185 0.515 18547 19813 1 20 . 1 1 142 142 ALA CB C 132 18.200 18.200 18.719 -0.519 18547 19814 1 20 . 1 1 142 142 ALA H H 132 7.910 7.910 7.918 -0.008 18547 19815 1 20 . 1 1 143 143 LEU N N 133 117.200 117.200 118.979 -1.779 18547 19816 1 20 . 1 1 143 143 LEU HA H 133 4.150 4.150 3.884 0.266 18547 19817 1 20 . 1 1 143 143 LEU C C 133 180.300 180.300 179.218 1.082 18547 19818 1 20 . 1 1 143 143 LEU CA C 133 57.300 57.300 58.188 -0.888 18547 19819 1 20 . 1 1 143 143 LEU CB C 133 40.600 40.600 40.242 0.358 18547 19820 1 20 . 1 1 143 143 LEU H H 133 9.190 9.190 8.752 0.438 18547 19821 1 20 . 1 1 144 144 ASP N N 134 122.600 122.600 119.184 3.416 18547 19822 1 20 . 1 1 144 144 ASP HA H 134 4.580 4.580 4.299 0.281 18547 19823 1 20 . 1 1 144 144 ASP C C 134 179.900 179.900 178.912 0.988 18547 19824 1 20 . 1 1 144 144 ASP CA C 134 57.800 57.800 57.632 0.168 18547 19825 1 20 . 1 1 144 144 ASP CB C 134 39.800 39.800 40.808 -1.008 18547 19826 1 20 . 1 1 144 144 ASP H H 134 7.930 7.930 8.048 -0.118 18547 19827 1 20 . 1 1 145 145 PHE N N 135 119.300 119.300 117.572 1.728 18547 19828 1 20 . 1 1 145 145 PHE HA H 135 4.580 4.580 4.390 0.190 18547 19829 1 20 . 1 1 145 145 PHE C C 135 178.000 178.000 178.039 -0.039 18547 19830 1 20 . 1 1 145 145 PHE CA C 135 61.700 61.700 60.678 1.022 18547 19831 1 20 . 1 1 145 145 PHE CB C 135 39.400 39.400 39.033 0.367 18547 19832 1 20 . 1 1 145 145 PHE H H 135 7.690 7.690 7.916 -0.226 18547 19833 1 20 . 1 1 146 146 LEU N N 136 124.400 124.400 122.116 2.284 18547 19834 1 20 . 1 1 146 146 LEU HA H 136 3.200 3.200 4.276 -1.076 18547 19835 1 20 . 1 1 146 146 LEU C C 136 178.800 178.800 178.228 0.572 18547 19836 1 20 . 1 1 146 146 LEU CA C 136 58.400 58.400 56.696 1.704 18547 19837 1 20 . 1 1 146 146 LEU CB C 136 38.800 38.800 41.025 -2.225 18547 19838 1 20 . 1 1 146 146 LEU H H 136 7.930 7.930 8.338 -0.408 18547 19839 1 20 . 1 1 147 147 GLY N N 137 104.200 104.200 107.429 -3.229 18547 19840 1 20 . 1 1 147 147 GLY C C 137 176.100 176.100 175.945 0.155 18547 19841 1 20 . 1 1 147 147 GLY CA C 137 47.900 47.900 47.140 0.760 18547 19842 1 20 . 1 1 147 147 GLY H H 137 8.340 8.340 7.886 0.454 18547 19843 1 20 . 1 1 148 148 MET N N 138 119.300 119.300 121.605 -2.305 18547 19844 1 20 . 1 1 148 148 MET HA H 138 4.090 4.090 4.365 -0.275 18547 19845 1 20 . 1 1 148 148 MET C C 138 177.700 177.700 178.972 -1.272 18547 19846 1 20 . 1 1 148 148 MET CA C 138 59.400 59.400 58.939 0.461 18547 19847 1 20 . 1 1 148 148 MET CB C 138 34.500 34.500 32.614 1.886 18547 19848 1 20 . 1 1 148 148 MET H H 138 7.550 7.550 7.813 -0.263 18547 19849 1 20 . 1 1 149 149 PHE N N 139 120.400 120.400 121.600 -1.200 18547 19850 1 20 . 1 1 149 149 PHE HA H 139 4.380 4.380 4.298 0.082 18547 19851 1 20 . 1 1 149 149 PHE C C 139 179.100 179.100 177.067 2.033 18547 19852 1 20 . 1 1 149 149 PHE CA C 139 60.800 60.800 61.168 -0.368 18547 19853 1 20 . 1 1 149 149 PHE CB C 139 39.200 39.200 39.155 0.045 18547 19854 1 20 . 1 1 149 149 PHE H H 139 8.600 8.600 7.954 0.646 18547 19855 1 20 . 1 1 150 150 ILE N N 140 121.300 121.300 116.688 4.612 18547 19856 1 20 . 1 1 150 150 ILE HA H 140 3.420 3.420 3.469 -0.049 18547 19857 1 20 . 1 1 150 150 ILE C C 140 177.500 177.500 177.273 0.227 18547 19858 1 20 . 1 1 150 150 ILE CA C 140 63.100 63.100 63.721 -0.621 18547 19859 1 20 . 1 1 150 150 ILE CB C 140 37.100 37.100 38.072 -0.972 18547 19860 1 20 . 1 1 150 150 ILE H H 140 8.780 8.780 7.799 0.981 18547 19861 1 20 . 1 1 151 151 ARG N N 141 116.500 116.500 117.122 -0.622 18547 19862 1 20 . 1 1 151 151 ARG HA H 141 4.220 4.220 4.217 0.003 18547 19863 1 20 . 1 1 151 151 ARG C C 141 176.700 176.700 177.082 -0.382 18547 19864 1 20 . 1 1 151 151 ARG CA C 141 57.500 57.500 56.818 0.682 18547 19865 1 20 . 1 1 151 151 ARG CB C 141 31.500 31.500 31.048 0.452 18547 19866 1 20 . 1 1 151 151 ARG H H 141 7.730 7.730 7.918 -0.188 18547 19867 1 20 . 1 1 152 152 GLY N N 142 106.800 106.800 107.672 -0.872 18547 19868 1 20 . 1 1 152 152 GLY C C 142 174.900 174.900 175.046 -0.146 18547 19869 1 20 . 1 1 152 152 GLY CA C 142 45.700 45.700 45.450 0.250 18547 19870 1 20 . 1 1 152 152 GLY H H 142 7.570 7.570 7.863 -0.293 18547 19871 1 20 . 1 1 153 153 ASP N N 143 119.400 119.400 119.366 0.034 18547 19872 1 20 . 1 1 153 153 ASP HA H 143 4.780 4.780 4.566 0.214 18547 19873 1 20 . 1 1 153 153 ASP C C 143 175.400 175.400 177.293 -1.893 18547 19874 1 20 . 1 1 153 153 ASP CA C 143 54.200 54.200 55.413 -1.213 18547 19875 1 20 . 1 1 153 153 ASP CB C 143 42.100 42.100 41.162 0.938 18547 19876 1 20 . 1 1 153 153 ASP H H 143 8.290 8.290 7.957 0.333 18547 19877 1 20 . 1 1 154 154 LEU N N 144 121.300 121.300 123.451 -2.151 18547 19878 1 20 . 1 1 154 154 LEU HA H 144 4.810 4.810 4.523 0.287 18547 19879 1 20 . 1 1 154 154 LEU CA C 144 52.800 52.800 54.465 -1.665 18547 19880 1 20 . 1 1 154 154 LEU CB C 144 42.500 42.500 41.912 0.588 18547 19881 1 20 . 1 1 154 154 LEU H H 144 8.010 8.010 7.647 0.363 18547 19882 1 20 . 1 1 155 155 PRO HA H 145 4.480 4.480 4.740 -0.260 18547 19883 1 20 . 1 1 155 155 PRO C C 145 177.600 177.600 177.061 0.539 18547 19884 1 20 . 1 1 155 155 PRO CA C 145 63.500 63.500 62.934 0.566 18547 19885 1 20 . 1 1 155 155 PRO CB C 145 32.200 32.200 32.712 -0.512 18547 19886 1 20 . 1 1 156 156 GLY N N 146 108.900 108.900 106.394 2.506 18547 19887 1 20 . 1 1 156 156 GLY C C 146 174.300 174.300 173.041 1.259 18547 19888 1 20 . 1 1 156 156 GLY CA C 146 45.100 45.100 44.612 0.488 18547 19889 1 20 . 1 1 156 156 GLY H H 146 8.530 8.530 7.704 0.826 18547 19890 1 20 . 1 1 157 157 GLY N N 147 108.800 108.800 108.343 0.457 18547 19891 1 20 . 1 1 157 157 GLY CA C 147 44.500 44.500 44.349 0.151 18547 19892 1 20 . 1 1 157 157 GLY H H 147 8.080 8.080 8.155 -0.075 18547 19893 1 20 . 1 1 158 158 PRO HA H 148 4.440 4.440 4.178 0.262 18547 19894 1 20 . 1 1 158 158 PRO C C 148 176.800 176.800 175.518 1.282 18547 19895 1 20 . 1 1 158 158 PRO CA C 148 63.000 63.000 63.909 -0.909 18547 19896 1 20 . 1 1 158 158 PRO CB C 148 32.100 32.100 32.588 -0.488 18547 19897 1 20 . 1 1 159 159 VAL N N 149 121.400 121.400 111.014 10.386 18547 19898 1 20 . 1 1 159 159 VAL HA H 149 4.390 4.390 4.354 0.036 18547 19899 1 20 . 1 1 159 159 VAL CA C 149 59.800 59.800 57.747 2.053 18547 19900 1 20 . 1 1 159 159 VAL CB C 149 32.600 32.600 32.188 0.412 18547 19901 1 20 . 1 1 159 159 VAL H H 149 8.220 8.220 7.128 1.092 18547 19902 1 20 . 1 1 160 160 PRO HA H 150 4.380 4.380 4.653 -0.273 18547 19903 1 20 . 1 1 160 160 PRO C C 150 177.200 177.200 176.658 0.542 18547 19904 1 20 . 1 1 160 160 PRO CA C 150 63.300 63.300 64.741 -1.441 18547 19905 1 20 . 1 1 160 160 PRO CB C 150 32.100 32.100 32.812 -0.712 18547 19906 1 20 . 1 1 161 161 GLU N N 151 120.700 120.700 118.301 2.399 18547 19907 1 20 . 1 1 161 161 GLU HA H 151 4.170 4.170 4.352 -0.182 18547 19908 1 20 . 1 1 161 161 GLU CA C 151 57.400 57.400 56.217 1.183 18547 19909 1 20 . 1 1 161 161 GLU CB C 151 29.900 29.900 30.931 -1.031 18547 19910 1 20 . 1 1 161 161 GLU H H 151 8.620 8.620 8.455 0.165 18547 19911 1 20 . 1 1 162 162 ASP N N 152 119.900 119.900 117.001 2.899 18547 19912 1 20 . 1 1 162 162 ASP HA H 152 4.570 4.570 4.592 -0.022 18547 19913 1 20 . 1 1 162 162 ASP C C 152 176.000 176.000 175.131 0.869 18547 19914 1 20 . 1 1 162 162 ASP CA C 152 54.200 54.200 54.762 -0.562 18547 19915 1 20 . 1 1 162 162 ASP CB C 152 41.000 41.000 42.966 -1.966 18547 19916 1 20 . 1 1 162 162 ASP H H 152 8.250 8.250 8.312 -0.062 18547 19917 1 20 . 1 1 163 163 ALA N N 153 124.000 124.000 120.281 3.719 18547 19918 1 20 . 1 1 163 163 ALA HA H 153 4.270 4.270 3.952 0.318 18547 19919 1 20 . 1 1 163 163 ALA C C 153 177.400 177.400 176.712 0.688 18547 19920 1 20 . 1 1 163 163 ALA CA C 153 52.700 52.700 52.869 -0.169 18547 19921 1 20 . 1 1 163 163 ALA CB C 153 19.200 19.200 17.218 1.982 18547 19922 1 20 . 1 1 163 163 ALA H H 153 8.040 8.040 8.041 -0.001 18547 19923 1 20 . 1 1 164 164 ALA N N 154 122.600 122.600 121.626 0.974 18547 19924 1 20 . 1 1 164 164 ALA HA H 154 4.260 4.260 4.460 -0.200 18547 19925 1 20 . 1 1 164 164 ALA C C 154 177.900 177.900 177.258 0.642 18547 19926 1 20 . 1 1 164 164 ALA CA C 154 52.600 52.600 51.346 1.254 18547 19927 1 20 . 1 1 164 164 ALA CB C 154 19.300 19.300 20.080 -0.780 18547 19928 1 20 . 1 1 164 164 ALA H H 154 8.190 8.190 7.921 0.269 18547 19929 1 20 . 1 1 165 165 GLU N N 155 119.400 119.400 118.273 1.127 18547 19930 1 20 . 1 1 165 165 GLU HA H 155 4.220 4.220 4.399 -0.179 18547 19931 1 20 . 1 1 165 165 GLU C C 155 176.200 176.200 176.811 -0.611 18547 19932 1 20 . 1 1 165 165 GLU CA C 155 56.500 56.500 57.500 -1.000 18547 19933 1 20 . 1 1 165 165 GLU CB C 155 30.300 30.300 30.505 -0.205 18547 19934 1 20 . 1 1 165 165 GLU H H 155 8.190 8.190 8.705 -0.515 18547 19935 1 20 . 1 1 166 166 GLU N N 156 121.000 121.000 118.880 2.120 18547 19936 1 20 . 1 1 166 166 GLU HA H 156 4.240 4.240 4.499 -0.259 18547 19937 1 20 . 1 1 166 166 GLU C C 156 175.800 175.800 174.976 0.824 18547 19938 1 20 . 1 1 166 166 GLU CA C 156 56.300 56.300 56.001 0.299 18547 19939 1 20 . 1 1 166 166 GLU CB C 156 30.300 30.300 29.249 1.051 18547 19940 1 20 . 1 1 166 166 GLU H H 156 8.230 8.230 8.277 -0.047 18547 19941 1 20 . 1 1 167 167 PHE N N 157 121.400 121.400 120.623 0.777 18547 19942 1 20 . 1 1 167 167 PHE HA H 157 4.590 4.590 4.595 -0.005 18547 19943 1 20 . 1 1 167 167 PHE C C 157 175.100 175.100 174.781 0.319 18547 19944 1 20 . 1 1 167 167 PHE CA C 157 57.700 57.700 57.468 0.232 18547 19945 1 20 . 1 1 167 167 PHE CB C 157 39.900 39.900 41.650 -1.750 18547 19946 1 20 . 1 1 167 167 PHE H H 157 8.240 8.240 8.015 0.225 18547 19947 1 20 . 1 1 168 168 GLU N N 158 124.400 124.400 118.136 6.264 18547 19948 1 20 . 1 1 168 168 GLU HA H 158 4.600 4.600 4.263 0.337 18547 19949 1 20 . 1 1 168 168 GLU CA C 158 53.700 53.700 56.408 -2.708 18547 19950 1 20 . 1 1 168 168 GLU CB C 158 30.400 30.400 28.550 1.850 18547 19951 1 20 . 1 1 168 168 GLU H H 158 8.130 8.130 8.682 -0.552 18547 19952 1 20 . 1 1 169 169 PRO HA H 159 4.460 4.460 4.378 0.082 18547 19953 1 20 . 1 1 169 169 PRO C C 159 176.200 176.200 176.390 -0.190 18547 19954 1 20 . 1 1 169 169 PRO CA C 159 62.800 62.800 63.109 -0.309 18547 19955 1 20 . 1 1 169 169 PRO CB C 159 32.300 32.300 31.979 0.321 18547 19956 1 20 . 1 1 170 170 SER N N 160 118.600 118.600 117.076 1.524 18547 19957 1 20 . 1 1 170 170 SER HA H 160 4.780 4.780 4.508 0.272 18547 19958 1 20 . 1 1 170 170 SER CA C 160 56.200 56.200 57.346 -1.146 18547 19959 1 20 . 1 1 170 170 SER CB C 160 63.200 63.200 63.293 -0.093 18547 19960 1 20 . 1 1 170 170 SER H H 160 8.290 8.290 7.902 0.388 18547 19961 1 20 . 1 1 171 171 PRO HA H 161 4.350 4.350 4.281 0.069 18547 19962 1 20 . 1 1 171 171 PRO C C 161 179.400 179.400 178.766 0.634 18547 19963 1 20 . 1 1 171 171 PRO CA C 161 65.500 65.500 65.599 -0.099 18547 19964 1 20 . 1 1 171 171 PRO CB C 161 31.700 31.700 31.852 -0.152 18547 19965 1 20 . 1 1 172 172 GLU N N 162 118.300 118.300 117.321 0.979 18547 19966 1 20 . 1 1 172 172 GLU HA H 162 4.160 4.160 4.169 -0.009 18547 19967 1 20 . 1 1 172 172 GLU C C 162 178.300 178.300 179.098 -0.798 18547 19968 1 20 . 1 1 172 172 GLU CA C 162 59.300 59.300 58.965 0.335 18547 19969 1 20 . 1 1 172 172 GLU CB C 162 29.400 29.400 28.869 0.531 18547 19970 1 20 . 1 1 172 172 GLU H H 162 8.540 8.540 8.789 -0.249 18547 19971 1 20 . 1 1 173 173 MET N N 163 119.400 119.400 120.524 -1.124 18547 19972 1 20 . 1 1 173 173 MET HA H 163 4.260 4.260 4.287 -0.027 18547 19973 1 20 . 1 1 173 173 MET C C 163 179.200 179.200 177.892 1.308 18547 19974 1 20 . 1 1 173 173 MET CA C 163 58.200 58.200 57.666 0.534 18547 19975 1 20 . 1 1 173 173 MET CB C 163 32.500 32.500 32.191 0.309 18547 19976 1 20 . 1 1 173 173 MET H H 163 7.830 7.830 8.025 -0.195 18547 19977 1 20 . 1 1 174 174 MET N N 164 119.300 119.300 118.618 0.682 18547 19978 1 20 . 1 1 174 174 MET HA H 164 4.260 4.260 4.055 0.205 18547 19979 1 20 . 1 1 174 174 MET C C 164 178.600 178.600 178.737 -0.137 18547 19980 1 20 . 1 1 174 174 MET CA C 164 58.200 58.200 59.196 -0.996 18547 19981 1 20 . 1 1 174 174 MET CB C 164 31.900 31.900 32.247 -0.347 18547 19982 1 20 . 1 1 174 174 MET H H 164 8.320 8.320 7.852 0.468 18547 19983 1 20 . 1 1 175 175 ARG N N 165 121.200 121.200 119.380 1.820 18547 19984 1 20 . 1 1 175 175 ARG HA H 165 4.160 4.160 4.011 0.149 18547 19985 1 20 . 1 1 175 175 ARG C C 165 178.800 178.800 178.579 0.221 18547 19986 1 20 . 1 1 175 175 ARG CA C 165 59.400 59.400 59.085 0.315 18547 19987 1 20 . 1 1 175 175 ARG CB C 165 29.900 29.900 29.329 0.571 18547 19988 1 20 . 1 1 175 175 ARG H H 165 8.020 8.020 8.039 -0.019 18547 19989 1 20 . 1 1 176 176 ILE N N 166 120.500 120.500 118.759 1.741 18547 19990 1 20 . 1 1 176 176 ILE HA H 166 3.920 3.920 3.636 0.284 18547 19991 1 20 . 1 1 176 176 ILE C C 166 178.500 178.500 178.056 0.444 18547 19992 1 20 . 1 1 176 176 ILE CA C 166 64.500 64.500 65.199 -0.699 18547 19993 1 20 . 1 1 176 176 ILE CB C 166 37.900 37.900 37.687 0.214 18547 19994 1 20 . 1 1 176 176 ILE H H 166 8.110 8.110 7.621 0.489 18547 19995 1 20 . 1 1 177 177 SER N N 167 116.300 116.300 114.867 1.433 18547 19996 1 20 . 1 1 177 177 SER HA H 167 4.240 4.240 4.216 0.024 18547 19997 1 20 . 1 1 177 177 SER C C 167 177.300 177.300 177.024 0.276 18547 19998 1 20 . 1 1 177 177 SER CA C 167 62.500 62.500 61.411 1.089 18547 19999 1 20 . 1 1 177 177 SER CB C 167 62.800 62.800 62.919 -0.119 18547 20000 1 20 . 1 1 177 177 SER H H 167 8.290 8.290 7.756 0.534 18547 20001 1 20 . 1 1 178 178 GLN N N 168 123.300 123.300 120.627 2.673 18547 20002 1 20 . 1 1 178 178 GLN HA H 168 4.110 4.110 4.267 -0.157 18547 20003 1 20 . 1 1 178 178 GLN C C 168 178.600 178.600 178.548 0.052 18547 20004 1 20 . 1 1 178 178 GLN CA C 168 59.200 59.200 58.149 1.051 18547 20005 1 20 . 1 1 178 178 GLN CB C 168 28.000 28.000 28.197 -0.197 18547 20006 1 20 . 1 1 178 178 GLN H H 168 8.080 8.080 8.104 -0.024 18547 20007 1 20 . 1 1 179 179 GLU N N 169 121.200 121.200 120.564 0.636 18547 20008 1 20 . 1 1 179 179 GLU HA H 169 4.090 4.090 4.065 0.025 18547 20009 1 20 . 1 1 179 179 GLU C C 169 180.500 180.500 179.249 1.251 18547 20010 1 20 . 1 1 179 179 GLU CA C 169 59.500 59.500 59.117 0.383 18547 20011 1 20 . 1 1 179 179 GLU CB C 169 29.700 29.700 29.249 0.451 18547 20012 1 20 . 1 1 179 179 GLU H H 169 8.380 8.380 8.286 0.094 18547 20013 1 20 . 1 1 180 180 ARG N N 170 120.800 120.800 119.275 1.525 18547 20014 1 20 . 1 1 180 180 ARG HA H 170 4.010 4.010 4.282 -0.272 18547 20015 1 20 . 1 1 180 180 ARG C C 170 178.100 178.100 179.040 -0.940 18547 20016 1 20 . 1 1 180 180 ARG CA C 170 59.900 59.900 58.320 1.580 18547 20017 1 20 . 1 1 180 180 ARG CB C 170 30.600 30.600 29.890 0.710 18547 20018 1 20 . 1 1 180 180 ARG H H 170 8.670 8.670 7.829 0.841 18547 20019 1 20 . 1 1 181 181 GLY N N 171 108.200 108.200 107.244 0.956 18547 20020 1 20 . 1 1 181 181 GLY C C 171 176.600 176.600 176.436 0.164 18547 20021 1 20 . 1 1 181 181 GLY CA C 171 47.800 47.800 47.056 0.744 18547 20022 1 20 . 1 1 181 181 GLY H H 171 8.550 8.550 8.373 0.177 18547 20023 1 20 . 1 1 182 182 GLU N N 172 121.900 121.900 121.790 0.110 18547 20024 1 20 . 1 1 182 182 GLU HA H 172 4.110 4.110 4.016 0.094 18547 20025 1 20 . 1 1 182 182 GLU C C 172 179.300 179.300 179.040 0.260 18547 20026 1 20 . 1 1 182 182 GLU CA C 172 59.300 59.300 58.603 0.697 18547 20027 1 20 . 1 1 182 182 GLU CB C 172 29.300 29.300 29.476 -0.176 18547 20028 1 20 . 1 1 182 182 GLU H H 172 8.190 8.190 8.242 -0.052 18547 20029 1 20 . 1 1 183 183 ALA N N 173 123.500 123.500 123.294 0.206 18547 20030 1 20 . 1 1 183 183 ALA HA H 173 4.150 4.150 4.049 0.101 18547 20031 1 20 . 1 1 183 183 ALA C C 173 181.500 181.500 179.141 2.359 18547 20032 1 20 . 1 1 183 183 ALA CA C 173 55.000 55.000 54.793 0.207 18547 20033 1 20 . 1 1 183 183 ALA CB C 173 17.100 17.100 17.962 -0.862 18547 20034 1 20 . 1 1 183 183 ALA H H 173 7.800 7.800 7.631 0.169 18547 20035 1 20 . 1 1 184 184 TRP N N 174 118.100 118.100 118.210 -0.110 18547 20036 1 20 . 1 1 184 184 TRP HA H 174 4.540 4.540 4.317 0.223 18547 20037 1 20 . 1 1 184 184 TRP C C 174 178.500 178.500 178.631 -0.131 18547 20038 1 20 . 1 1 184 184 TRP CA C 174 60.600 60.600 59.974 0.626 18547 20039 1 20 . 1 1 184 184 TRP CB C 174 30.800 30.800 29.249 1.551 18547 20040 1 20 . 1 1 184 184 TRP H H 174 8.400 8.400 7.703 0.697 18547 20041 1 20 . 1 1 185 185 ALA N N 175 121.700 121.700 122.700 -1.000 18547 20042 1 20 . 1 1 185 185 ALA HA H 175 3.920 3.920 3.793 0.127 18547 20043 1 20 . 1 1 185 185 ALA C C 175 179.600 179.600 178.557 1.043 18547 20044 1 20 . 1 1 185 185 ALA CA C 175 55.600 55.600 54.758 0.841 18547 20045 1 20 . 1 1 185 185 ALA CB C 175 17.900 17.900 17.793 0.107 18547 20046 1 20 . 1 1 185 185 ALA H H 175 8.800 8.800 8.569 0.231 18547 20047 1 20 . 1 1 186 186 ALA N N 176 119.000 119.000 121.146 -2.146 18547 20048 1 20 . 1 1 186 186 ALA HA H 176 4.190 4.190 4.070 0.120 18547 20049 1 20 . 1 1 186 186 ALA C C 176 180.300 180.300 179.343 0.957 18547 20050 1 20 . 1 1 186 186 ALA CA C 176 54.800 54.800 54.877 -0.077 18547 20051 1 20 . 1 1 186 186 ALA CB C 176 17.900 17.900 18.310 -0.410 18547 20052 1 20 . 1 1 186 186 ALA H H 176 7.860 7.860 7.605 0.255 18547 20053 1 20 . 1 1 187 187 LEU N N 177 118.500 118.500 119.095 -0.595 18547 20054 1 20 . 1 1 187 187 LEU HA H 177 4.210 4.210 3.967 0.243 18547 20055 1 20 . 1 1 187 187 LEU C C 177 179.400 179.400 179.043 0.357 18547 20056 1 20 . 1 1 187 187 LEU CA C 177 57.600 57.600 57.719 -0.119 18547 20057 1 20 . 1 1 187 187 LEU CB C 177 42.700 42.700 41.938 0.762 18547 20058 1 20 . 1 1 187 187 LEU H H 177 7.460 7.460 7.889 -0.429 18547 20059 1 20 . 1 1 188 188 VAL N N 178 118.500 118.500 118.316 0.184 18547 20060 1 20 . 1 1 188 188 VAL HA H 178 3.660 3.660 3.636 0.024 18547 20061 1 20 . 1 1 188 188 VAL C C 178 177.600 177.600 177.947 -0.347 18547 20062 1 20 . 1 1 188 188 VAL CA C 178 66.000 66.000 65.362 0.637 18547 20063 1 20 . 1 1 188 188 VAL CB C 178 32.400 32.400 31.907 0.493 18547 20064 1 20 . 1 1 188 188 VAL H H 178 8.640 8.640 7.748 0.892 18547 20065 1 20 . 1 1 189 189 HIS N N 179 116.000 116.000 116.902 -0.902 18547 20066 1 20 . 1 1 189 189 HIS HA H 179 4.780 4.780 4.773 0.007 18547 20067 1 20 . 1 1 189 189 HIS C C 179 175.300 175.300 176.196 -0.896 18547 20068 1 20 . 1 1 189 189 HIS CA C 179 56.200 56.200 58.155 -1.955 18547 20069 1 20 . 1 1 189 189 HIS CB C 179 28.500 28.500 29.463 -0.963 18547 20070 1 20 . 1 1 189 189 HIS H H 179 8.150 8.150 8.066 0.084 18547 20071 1 20 . 1 1 190 190 SER N N 180 115.000 115.000 112.398 2.602 18547 20072 1 20 . 1 1 190 190 SER HA H 180 4.480 4.480 4.434 0.046 18547 20073 1 20 . 1 1 190 190 SER C C 180 175.100 175.100 175.506 -0.406 18547 20074 1 20 . 1 1 190 190 SER CA C 180 59.500 59.500 59.734 -0.234 18547 20075 1 20 . 1 1 190 190 SER CB C 180 64.000 64.000 64.188 -0.188 18547 20076 1 20 . 1 1 190 190 SER H H 180 7.820 7.820 7.654 0.166 18547 20077 1 20 . 1 1 191 191 GLY N N 181 111.100 111.100 108.695 2.405 18547 20078 1 20 . 1 1 191 191 GLY C C 181 173.400 173.400 174.300 -0.900 18547 20079 1 20 . 1 1 191 191 GLY CA C 181 45.500 45.500 45.431 0.069 18547 20080 1 20 . 1 1 191 191 GLY H H 181 8.330 8.330 7.940 0.390 18547 stop_ loop_ _SPARTA_output.Data_ID _SPARTA_output.Entity_delta_chem_shifts_ID _SPARTA_output.Conformer_ID _SPARTA_output.Data_type _SPARTA_output.Data_atom _SPARTA_output.Data_num_shifts _SPARTA_output.Data_value _SPARTA_output.Data_low_range _SPARTA_output.Data_high_range _SPARTA_output.Entry_ID 1 1 1 "Average Difference" N 168 3.441 0.025 3.451 18547 2 1 1 "Average Difference" HA 199 0.296 -0.034 0.295 18547 3 1 1 "Average Difference" C 166 1.293 0.077 1.294 18547 4 1 1 "Average Difference" CA 180 1.063 -0.099 1.061 18547 5 1 1 "Average Difference" CB 161 1.263 -0.236 1.244 18547 6 1 1 "Average Difference" HN 168 0.530 -0.186 0.498 18547 7 1 2 "Average Difference" N 168 3.458 0.132 3.466 18547 8 1 2 "Average Difference" HA 199 0.315 -0.029 0.314 18547 9 1 2 "Average Difference" C 166 1.285 0.110 1.285 18547 10 1 2 "Average Difference" CA 180 1.167 -0.044 1.169 18547 11 1 2 "Average Difference" CB 161 1.398 -0.296 1.370 18547 12 1 2 "Average Difference" HN 168 0.539 -0.211 0.498 18547 13 1 3 "Average Difference" N 168 3.145 -0.087 3.153 18547 14 1 3 "Average Difference" HA 199 0.307 -0.041 0.305 18547 15 1 3 "Average Difference" C 166 1.259 0.080 1.260 18547 16 1 3 "Average Difference" CA 180 1.048 -0.105 1.046 18547 17 1 3 "Average Difference" CB 161 1.357 -0.399 1.301 18547 18 1 3 "Average Difference" HN 168 0.529 -0.204 0.490 18547 19 1 4 "Average Difference" N 168 3.211 0.131 3.218 18547 20 1 4 "Average Difference" HA 199 0.306 -0.037 0.305 18547 21 1 4 "Average Difference" C 166 1.265 0.116 1.263 18547 22 1 4 "Average Difference" CA 180 0.999 -0.068 1.000 18547 23 1 4 "Average Difference" CB 161 1.419 -0.274 1.397 18547 24 1 4 "Average Difference" HN 168 0.530 -0.194 0.495 18547 25 1 5 "Average Difference" N 168 3.308 -0.176 3.313 18547 26 1 5 "Average Difference" HA 199 0.327 -0.030 0.326 18547 27 1 5 "Average Difference" C 166 1.304 0.077 1.306 18547 28 1 5 "Average Difference" CA 180 1.018 -0.070 1.019 18547 29 1 5 "Average Difference" CB 161 1.282 -0.269 1.257 18547 30 1 5 "Average Difference" HN 168 0.524 -0.199 0.486 18547 31 1 6 "Average Difference" N 168 3.227 -0.182 3.232 18547 32 1 6 "Average Difference" HA 199 0.308 -0.057 0.304 18547 33 1 6 "Average Difference" C 166 1.245 0.167 1.238 18547 34 1 6 "Average Difference" CA 180 1.061 -0.067 1.062 18547 35 1 6 "Average Difference" CB 161 1.255 -0.378 1.200 18547 36 1 6 "Average Difference" HN 168 0.527 -0.203 0.488 18547 37 1 7 "Average Difference" N 168 3.361 -0.308 3.357 18547 38 1 7 "Average Difference" HA 199 0.289 -0.036 0.288 18547 39 1 7 "Average Difference" C 166 1.233 0.169 1.225 18547 40 1 7 "Average Difference" CA 180 1.092 -0.052 1.094 18547 41 1 7 "Average Difference" CB 161 1.368 -0.332 1.332 18547 42 1 7 "Average Difference" HN 168 0.500 -0.163 0.474 18547 43 1 8 "Average Difference" N 168 3.247 -0.243 3.248 18547 44 1 8 "Average Difference" HA 199 0.294 -0.056 0.289 18547 45 1 8 "Average Difference" C 166 1.258 0.058 1.260 18547 46 1 8 "Average Difference" CA 180 1.088 -0.043 1.090 18547 47 1 8 "Average Difference" CB 161 1.363 -0.315 1.330 18547 48 1 8 "Average Difference" HN 168 0.497 -0.185 0.462 18547 49 1 9 "Average Difference" N 168 3.288 -0.147 3.295 18547 50 1 9 "Average Difference" HA 199 0.324 -0.049 0.321 18547 51 1 9 "Average Difference" C 166 1.197 0.101 1.197 18547 52 1 9 "Average Difference" CA 180 1.087 -0.074 1.087 18547 53 1 9 "Average Difference" CB 161 1.366 -0.322 1.332 18547 54 1 9 "Average Difference" HN 168 0.534 -0.215 0.491 18547 55 1 10 "Average Difference" N 168 3.609 -0.190 3.615 18547 56 1 10 "Average Difference" HA 199 0.332 -0.031 0.331 18547 57 1 10 "Average Difference" C 166 1.283 0.112 1.282 18547 58 1 10 "Average Difference" CA 180 1.184 -0.068 1.185 18547 59 1 10 "Average Difference" CB 161 1.283 -0.275 1.257 18547 60 1 10 "Average Difference" HN 168 0.560 -0.203 0.524 18547 61 1 11 "Average Difference" N 168 3.436 -0.460 3.415 18547 62 1 11 "Average Difference" HA 199 0.299 -0.037 0.298 18547 63 1 11 "Average Difference" C 166 1.257 0.105 1.256 18547 64 1 11 "Average Difference" CA 180 1.039 -0.044 1.041 18547 65 1 11 "Average Difference" CB 161 1.263 -0.265 1.239 18547 66 1 11 "Average Difference" HN 168 0.508 -0.190 0.472 18547 67 1 12 "Average Difference" N 168 3.304 -0.103 3.312 18547 68 1 12 "Average Difference" HA 199 0.330 -0.084 0.320 18547 69 1 12 "Average Difference" C 166 1.184 0.115 1.182 18547 70 1 12 "Average Difference" CA 180 1.065 -0.038 1.067 18547 71 1 12 "Average Difference" CB 161 1.335 -0.395 1.279 18547 72 1 12 "Average Difference" HN 168 0.516 -0.161 0.492 18547 73 1 13 "Average Difference" N 168 3.125 -0.102 3.133 18547 74 1 13 "Average Difference" HA 199 0.315 -0.059 0.311 18547 75 1 13 "Average Difference" C 166 1.233 0.082 1.234 18547 76 1 13 "Average Difference" CA 180 1.117 -0.010 1.120 18547 77 1 13 "Average Difference" CB 161 1.265 -0.294 1.235 18547 78 1 13 "Average Difference" HN 168 0.513 -0.181 0.481 18547 79 1 14 "Average Difference" N 168 3.349 -0.174 3.355 18547 80 1 14 "Average Difference" HA 199 0.310 -0.070 0.303 18547 81 1 14 "Average Difference" C 166 1.309 0.170 1.302 18547 82 1 14 "Average Difference" CA 180 1.085 -0.057 1.086 18547 83 1 14 "Average Difference" CB 161 1.332 -0.356 1.288 18547 84 1 14 "Average Difference" HN 168 0.543 -0.178 0.515 18547 85 1 15 "Average Difference" N 168 3.147 -0.174 3.152 18547 86 1 15 "Average Difference" HA 199 0.331 -0.070 0.325 18547 87 1 15 "Average Difference" C 166 1.261 0.099 1.261 18547 88 1 15 "Average Difference" CA 180 1.028 -0.011 1.031 18547 89 1 15 "Average Difference" CB 161 1.344 -0.341 1.304 18547 90 1 15 "Average Difference" HN 168 0.503 -0.188 0.468 18547 91 1 16 "Average Difference" N 168 3.259 -0.118 3.266 18547 92 1 16 "Average Difference" HA 199 0.309 -0.068 0.302 18547 93 1 16 "Average Difference" C 166 1.226 0.099 1.226 18547 94 1 16 "Average Difference" CA 180 1.025 -0.046 1.027 18547 95 1 16 "Average Difference" CB 161 1.251 -0.311 1.215 18547 96 1 16 "Average Difference" HN 168 0.557 -0.211 0.517 18547 97 1 17 "Average Difference" N 168 3.218 -0.156 3.224 18547 98 1 17 "Average Difference" HA 199 0.301 -0.034 0.300 18547 99 1 17 "Average Difference" C 166 1.269 0.137 1.265 18547 100 1 17 "Average Difference" CA 180 1.100 0.000 1.103 18547 101 1 17 "Average Difference" CB 161 1.326 -0.244 1.308 18547 102 1 17 "Average Difference" HN 168 0.555 -0.202 0.519 18547 103 1 18 "Average Difference" N 168 3.330 -0.408 3.315 18547 104 1 18 "Average Difference" HA 199 0.313 -0.059 0.309 18547 105 1 18 "Average Difference" C 166 1.242 0.107 1.241 18547 106 1 18 "Average Difference" CA 180 1.068 -0.010 1.071 18547 107 1 18 "Average Difference" CB 161 1.246 -0.271 1.220 18547 108 1 18 "Average Difference" HN 168 0.511 -0.195 0.474 18547 109 1 19 "Average Difference" N 168 3.445 -0.179 3.450 18547 110 1 19 "Average Difference" HA 199 0.336 -0.028 0.336 18547 111 1 19 "Average Difference" C 166 1.280 0.053 1.283 18547 112 1 19 "Average Difference" CA 180 1.168 -0.056 1.169 18547 113 1 19 "Average Difference" CB 161 1.394 -0.318 1.361 18547 114 1 19 "Average Difference" HN 168 0.553 -0.195 0.519 18547 115 1 20 "Average Difference" N 168 3.275 -0.192 3.280 18547 116 1 20 "Average Difference" HA 199 0.306 -0.066 0.300 18547 117 1 20 "Average Difference" C 166 1.293 0.205 1.281 18547 118 1 20 "Average Difference" CA 180 1.040 0.000 1.043 18547 119 1 20 "Average Difference" CB 161 1.312 -0.360 1.266 18547 120 1 20 "Average Difference" HN 168 0.515 -0.197 0.477 18547 stop_ save_ save_delta_chem_shifts_average _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average _Entity_delta_chem_shifts.Model_type average _Entity_delta_chem_shifts.Entry_ID 18547 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 12 12 ALA N N 2 125.600 125.600 124.999 0.601 18547 2 1 . 1 1 12 12 ALA HA H 2 4.300 4.300 4.481 -0.181 18547 3 1 . 1 1 12 12 ALA C C 2 177.600 177.600 177.198 0.402 18547 4 1 . 1 1 12 12 ALA CA C 2 52.600 52.600 52.433 0.167 18547 5 1 . 1 1 12 12 ALA CB C 2 19.200 19.200 18.959 0.241 18547 6 1 . 1 1 12 12 ALA H H 2 8.380 8.380 8.434 -0.054 18547 7 1 . 1 1 13 13 SER N N 3 115.000 115.000 116.356 -1.356 18547 8 1 . 1 1 13 13 SER HA H 3 4.390 4.390 4.400 -0.010 18547 9 1 . 1 1 13 13 SER C C 3 175.100 175.100 174.820 0.280 18547 10 1 . 1 1 13 13 SER CA C 3 58.500 58.500 58.443 0.057 18547 11 1 . 1 1 13 13 SER CB C 3 63.800 63.800 63.437 0.363 18547 12 1 . 1 1 13 13 SER H H 3 8.250 8.250 8.310 -0.060 18547 13 1 . 1 1 14 14 GLY N N 4 110.700 110.700 111.116 -0.416 18547 14 1 . 1 1 14 14 GLY C C 4 174.000 174.000 173.385 0.615 18547 15 1 . 1 1 14 14 GLY CA C 4 45.400 45.400 45.158 0.242 18547 16 1 . 1 1 14 14 GLY H H 4 8.390 8.390 8.258 0.133 18547 17 1 . 1 1 15 15 GLN N N 5 120.100 120.100 120.519 -0.419 18547 18 1 . 1 1 15 15 GLN HA H 5 4.310 4.310 4.334 -0.024 18547 19 1 . 1 1 15 15 GLN C C 5 175.500 175.500 174.768 0.732 18547 20 1 . 1 1 15 15 GLN CA C 5 55.600 55.600 54.897 0.703 18547 21 1 . 1 1 15 15 GLN CB C 5 29.700 29.700 28.389 1.311 18547 22 1 . 1 1 15 15 GLN H H 5 8.190 8.190 7.969 0.221 18547 23 1 . 1 1 16 16 ALA N N 6 126.000 126.000 126.771 -0.771 18547 24 1 . 1 1 16 16 ALA HA H 6 4.360 4.360 4.484 -0.124 18547 25 1 . 1 1 16 16 ALA C C 6 177.300 177.300 176.066 1.233 18547 26 1 . 1 1 16 16 ALA CA C 6 52.300 52.300 51.720 0.580 18547 27 1 . 1 1 16 16 ALA CB C 6 19.200 19.200 19.433 -0.233 18547 28 1 . 1 1 16 16 ALA H H 6 8.400 8.400 8.159 0.241 18547 29 1 . 1 1 17 17 THR N N 7 119.200 119.200 118.815 0.385 18547 30 1 . 1 1 17 17 THR HA H 7 4.370 4.370 4.843 -0.473 18547 31 1 . 1 1 17 17 THR C C 7 173.600 173.600 174.076 -0.476 18547 32 1 . 1 1 17 17 THR CA C 7 63.200 63.200 62.093 1.107 18547 33 1 . 1 1 17 17 THR CB C 7 70.600 70.600 69.470 1.130 18547 34 1 . 1 1 17 17 THR H H 7 8.180 8.180 7.988 0.192 18547 35 1 . 1 1 18 18 GLU N N 8 127.500 127.500 127.788 -0.288 18547 36 1 . 1 1 18 18 GLU HA H 8 4.540 4.540 4.556 -0.016 18547 37 1 . 1 1 18 18 GLU C C 8 174.200 174.200 175.277 -1.077 18547 38 1 . 1 1 18 18 GLU CA C 8 55.100 55.100 55.094 0.006 18547 39 1 . 1 1 18 18 GLU CB C 8 31.900 31.900 31.604 0.296 18547 40 1 . 1 1 18 18 GLU H H 8 8.810 8.810 8.493 0.317 18547 41 1 . 1 1 19 19 ARG N N 9 122.100 122.100 124.341 -2.241 18547 42 1 . 1 1 19 19 ARG HA H 9 5.060 5.060 4.864 0.196 18547 43 1 . 1 1 19 19 ARG C C 9 175.000 175.000 175.451 -0.451 18547 44 1 . 1 1 19 19 ARG CA C 9 54.800 54.800 55.599 -0.799 18547 45 1 . 1 1 19 19 ARG CB C 9 31.600 31.600 31.296 0.304 18547 46 1 . 1 1 19 19 ARG H H 9 8.070 8.070 8.616 -0.546 18547 47 1 . 1 1 20 20 ALA N N 10 126.300 126.300 125.342 0.958 18547 48 1 . 1 1 20 20 ALA HA H 10 4.640 4.640 4.646 -0.006 18547 49 1 . 1 1 20 20 ALA C C 10 173.800 173.800 174.905 -1.105 18547 50 1 . 1 1 20 20 ALA CA C 10 51.100 51.100 51.574 -0.474 18547 51 1 . 1 1 20 20 ALA CB C 10 22.800 22.800 21.725 1.075 18547 52 1 . 1 1 20 20 ALA H H 10 9.390 9.390 8.602 0.788 18547 53 1 . 1 1 21 21 LEU N N 11 117.500 117.500 120.078 -2.578 18547 54 1 . 1 1 21 21 LEU HA H 11 5.790 5.790 5.427 0.363 18547 55 1 . 1 1 21 21 LEU C C 11 178.100 178.100 176.169 1.931 18547 56 1 . 1 1 21 21 LEU CA C 11 53.100 53.100 53.789 -0.689 18547 57 1 . 1 1 21 21 LEU CB C 11 45.400 45.400 46.295 -0.895 18547 58 1 . 1 1 21 21 LEU H H 11 8.280 8.280 8.354 -0.074 18547 59 1 . 1 1 22 22 GLY N N 12 113.400 113.400 109.417 3.983 18547 60 1 . 1 1 22 22 GLY C C 12 174.800 174.800 172.116 2.684 18547 61 1 . 1 1 22 22 GLY CA C 12 44.500 44.500 45.338 -0.838 18547 62 1 . 1 1 22 22 GLY H H 12 8.830 8.830 8.798 0.032 18547 63 1 . 1 1 23 23 ARG N N 13 119.600 119.600 118.983 0.617 18547 64 1 . 1 1 23 23 ARG HA H 13 5.040 5.040 4.753 0.287 18547 65 1 . 1 1 23 23 ARG C C 13 174.900 174.900 174.618 0.282 18547 66 1 . 1 1 23 23 ARG CA C 13 55.800 55.800 55.040 0.760 18547 67 1 . 1 1 23 23 ARG CB C 13 33.600 33.600 32.763 0.837 18547 68 1 . 1 1 23 23 ARG H H 13 8.160 8.160 8.358 -0.198 18547 69 1 . 1 1 24 24 ARG N N 14 121.900 121.900 122.177 -0.277 18547 70 1 . 1 1 24 24 ARG HA H 14 4.530 4.530 4.591 -0.061 18547 71 1 . 1 1 24 24 ARG C C 14 174.000 174.000 174.464 -0.464 18547 72 1 . 1 1 24 24 ARG CA C 14 55.200 55.200 55.533 -0.333 18547 73 1 . 1 1 24 24 ARG CB C 14 34.700 34.700 33.093 1.607 18547 74 1 . 1 1 24 24 ARG H H 14 8.780 8.780 8.755 0.025 18547 75 1 . 1 1 25 25 THR N N 15 121.700 121.700 121.342 0.358 18547 76 1 . 1 1 25 25 THR HA H 15 4.420 4.420 4.583 -0.163 18547 77 1 . 1 1 25 25 THR C C 15 173.700 173.700 174.433 -0.733 18547 78 1 . 1 1 25 25 THR CA C 15 63.600 63.600 62.699 0.901 18547 79 1 . 1 1 25 25 THR CB C 15 68.600 68.600 69.142 -0.542 18547 80 1 . 1 1 25 25 THR H H 15 8.800 8.800 8.403 0.397 18547 81 1 . 1 1 26 26 ILE N N 16 124.200 124.200 122.102 2.098 18547 82 1 . 1 1 26 26 ILE HA H 16 4.940 4.940 4.852 0.088 18547 83 1 . 1 1 26 26 ILE CA C 16 59.300 59.300 57.438 1.862 18547 84 1 . 1 1 26 26 ILE CB C 16 38.200 38.200 38.596 -0.396 18547 85 1 . 1 1 26 26 ILE H H 16 8.420 8.420 8.261 0.159 18547 86 1 . 1 1 27 27 PRO HA H 17 4.180 4.180 4.210 -0.030 18547 87 1 . 1 1 27 27 PRO C C 17 178.100 178.100 176.936 1.164 18547 88 1 . 1 1 27 27 PRO CA C 17 67.200 67.200 65.432 1.768 18547 89 1 . 1 1 27 27 PRO CB C 17 30.700 30.700 31.364 -0.664 18547 90 1 . 1 1 28 28 ALA N N 18 114.800 114.800 119.032 -4.232 18547 91 1 . 1 1 28 28 ALA HA H 18 4.270 4.270 4.306 -0.036 18547 92 1 . 1 1 28 28 ALA C C 18 177.000 177.000 177.479 -0.479 18547 93 1 . 1 1 28 28 ALA CA C 18 53.100 53.100 52.722 0.378 18547 94 1 . 1 1 28 28 ALA CB C 18 19.500 19.500 19.531 -0.031 18547 95 1 . 1 1 28 28 ALA H H 18 8.060 8.060 8.153 -0.093 18547 96 1 . 1 1 29 29 GLY N N 19 107.100 107.100 105.918 1.182 18547 97 1 . 1 1 29 29 GLY C C 19 171.900 171.900 172.077 -0.177 18547 98 1 . 1 1 29 29 GLY CA C 19 44.000 44.000 44.606 -0.606 18547 99 1 . 1 1 29 29 GLY H H 19 8.140 8.140 7.498 0.642 18547 100 1 . 1 1 30 30 GLU N N 20 120.000 120.000 120.590 -0.590 18547 101 1 . 1 1 30 30 GLU HA H 20 4.320 4.320 4.325 -0.005 18547 102 1 . 1 1 30 30 GLU C C 20 175.600 175.600 175.475 0.125 18547 103 1 . 1 1 30 30 GLU CA C 20 57.300 57.300 56.598 0.702 18547 104 1 . 1 1 30 30 GLU CB C 20 29.100 29.100 29.666 -0.566 18547 105 1 . 1 1 30 30 GLU H H 20 8.380 8.380 8.529 -0.149 18547 106 1 . 1 1 31 31 ALA N N 21 129.500 129.500 127.393 2.107 18547 107 1 . 1 1 31 31 ALA HA H 21 4.610 4.610 4.624 -0.014 18547 108 1 . 1 1 31 31 ALA C C 21 177.200 177.200 176.074 1.126 18547 109 1 . 1 1 31 31 ALA CA C 21 51.200 51.200 51.119 0.081 18547 110 1 . 1 1 31 31 ALA CB C 21 22.500 22.500 21.816 0.684 18547 111 1 . 1 1 31 31 ALA H H 21 8.660 8.660 8.244 0.416 18547 112 1 . 1 1 32 32 ARG N N 22 120.400 120.400 118.942 1.458 18547 113 1 . 1 1 32 32 ARG HA H 22 4.950 4.950 4.742 0.208 18547 114 1 . 1 1 32 32 ARG C C 22 173.400 173.400 175.363 -1.963 18547 115 1 . 1 1 32 32 ARG CA C 22 55.500 55.500 54.433 1.067 18547 116 1 . 1 1 32 32 ARG CB C 22 32.500 32.500 33.189 -0.689 18547 117 1 . 1 1 32 32 ARG H H 22 8.090 8.090 8.130 -0.040 18547 118 1 . 1 1 33 33 SER N N 23 113.800 113.800 114.925 -1.125 18547 119 1 . 1 1 33 33 SER HA H 23 5.560 5.560 5.443 0.117 18547 120 1 . 1 1 33 33 SER C C 23 174.500 174.500 173.845 0.655 18547 121 1 . 1 1 33 33 SER CA C 23 55.600 55.600 56.681 -1.081 18547 122 1 . 1 1 33 33 SER CB C 23 67.300 67.300 66.057 1.243 18547 123 1 . 1 1 33 33 SER H H 23 8.080 8.080 8.449 -0.369 18547 124 1 . 1 1 34 34 ILE N N 24 112.700 112.700 119.310 -6.610 18547 125 1 . 1 1 34 34 ILE HA H 24 4.950 4.950 4.679 0.271 18547 126 1 . 1 1 34 34 ILE C C 24 175.400 175.400 174.487 0.913 18547 127 1 . 1 1 34 34 ILE CA C 24 58.300 58.300 60.383 -2.083 18547 128 1 . 1 1 34 34 ILE CB C 24 39.900 39.900 39.000 0.900 18547 129 1 . 1 1 34 34 ILE H H 24 7.980 7.980 8.431 -0.451 18547 130 1 . 1 1 35 35 ILE N N 25 121.800 121.800 126.110 -4.310 18547 131 1 . 1 1 35 35 ILE HA H 25 4.960 4.960 4.797 0.163 18547 132 1 . 1 1 35 35 ILE C C 25 174.800 174.800 174.923 -0.124 18547 133 1 . 1 1 35 35 ILE CA C 25 60.700 60.700 59.833 0.867 18547 134 1 . 1 1 35 35 ILE CB C 25 41.300 41.300 40.112 1.188 18547 135 1 . 1 1 35 35 ILE H H 25 8.960 8.960 8.316 0.644 18547 136 1 . 1 1 36 36 ILE N N 26 127.900 127.900 128.147 -0.247 18547 137 1 . 1 1 36 36 ILE HA H 26 4.770 4.770 4.643 0.127 18547 138 1 . 1 1 36 36 ILE C C 26 175.000 175.000 174.970 0.030 18547 139 1 . 1 1 36 36 ILE CA C 26 59.900 59.900 60.450 -0.550 18547 140 1 . 1 1 36 36 ILE CB C 26 42.100 42.100 38.494 3.606 18547 141 1 . 1 1 36 36 ILE H H 26 9.210 9.210 8.558 0.652 18547 142 1 . 1 1 37 37 ARG N N 27 124.100 124.100 127.763 -3.663 18547 143 1 . 1 1 37 37 ARG HA H 27 5.850 5.850 5.339 0.511 18547 144 1 . 1 1 37 37 ARG C C 27 176.200 176.200 175.336 0.864 18547 145 1 . 1 1 37 37 ARG CA C 27 54.100 54.100 54.657 -0.557 18547 146 1 . 1 1 37 37 ARG CB C 27 32.900 32.900 32.511 0.389 18547 147 1 . 1 1 37 37 ARG H H 27 8.670 8.670 8.744 -0.074 18547 148 1 . 1 1 38 38 GLN N N 28 122.900 122.900 121.177 1.723 18547 149 1 . 1 1 38 38 GLN HA H 28 4.710 4.710 5.104 -0.394 18547 150 1 . 1 1 38 38 GLN C C 28 173.200 173.200 174.188 -0.988 18547 151 1 . 1 1 38 38 GLN CA C 28 54.400 54.400 54.875 -0.475 18547 152 1 . 1 1 38 38 GLN CB C 28 35.200 35.200 32.993 2.207 18547 153 1 . 1 1 38 38 GLN H H 28 9.310 9.310 8.563 0.747 18547 154 1 . 1 1 39 39 ARG N N 29 121.400 121.400 125.020 -3.620 18547 155 1 . 1 1 39 39 ARG HA H 29 5.260 5.260 4.923 0.337 18547 156 1 . 1 1 39 39 ARG C C 29 175.400 175.400 175.594 -0.195 18547 157 1 . 1 1 39 39 ARG CA C 29 55.100 55.100 54.476 0.624 18547 158 1 . 1 1 39 39 ARG CB C 29 32.500 32.500 30.504 1.997 18547 159 1 . 1 1 39 39 ARG H H 29 8.510 8.510 8.122 0.388 18547 160 1 . 1 1 40 40 TYR N N 30 120.000 120.000 124.797 -4.797 18547 161 1 . 1 1 40 40 TYR HA H 30 4.600 4.600 4.512 0.088 18547 162 1 . 1 1 40 40 TYR C C 30 175.600 175.600 175.793 -0.193 18547 163 1 . 1 1 40 40 TYR CA C 30 56.900 56.900 57.732 -0.832 18547 164 1 . 1 1 40 40 TYR CB C 30 42.700 42.700 39.965 2.735 18547 165 1 . 1 1 40 40 TYR H H 30 9.140 9.140 8.831 0.309 18547 166 1 . 1 1 41 41 ASP N N 31 126.400 126.400 123.537 2.863 18547 167 1 . 1 1 41 41 ASP HA H 31 4.880 4.880 4.686 0.194 18547 168 1 . 1 1 41 41 ASP C C 31 174.500 174.500 174.801 -0.301 18547 169 1 . 1 1 41 41 ASP CA C 31 53.200 53.200 53.922 -0.722 18547 170 1 . 1 1 41 41 ASP CB C 31 39.200 39.200 39.998 -0.798 18547 171 1 . 1 1 41 41 ASP H H 31 9.140 9.140 8.789 0.351 18547 172 1 . 1 1 42 42 ALA N N 32 123.100 123.100 122.649 0.451 18547 173 1 . 1 1 42 42 ALA HA H 32 4.690 4.690 4.705 -0.015 18547 174 1 . 1 1 42 42 ALA CA C 32 50.100 50.100 49.739 0.361 18547 175 1 . 1 1 42 42 ALA CB C 32 20.200 20.200 20.529 -0.329 18547 176 1 . 1 1 42 42 ALA H H 32 7.770 7.770 7.608 0.162 18547 177 1 . 1 1 43 43 PRO HA H 33 4.650 4.650 4.550 0.100 18547 178 1 . 1 1 43 43 PRO C C 33 178.100 178.100 177.579 0.521 18547 179 1 . 1 1 43 43 PRO CA C 33 62.000 62.000 62.712 -0.712 18547 180 1 . 1 1 43 43 PRO CB C 33 33.000 33.000 32.818 0.182 18547 181 1 . 1 1 44 44 VAL N N 34 123.500 123.500 120.790 2.710 18547 182 1 . 1 1 44 44 VAL HA H 34 3.960 3.960 3.659 0.301 18547 183 1 . 1 1 44 44 VAL C C 34 177.500 177.500 177.741 -0.241 18547 184 1 . 1 1 44 44 VAL CA C 34 66.000 66.000 66.624 -0.624 18547 185 1 . 1 1 44 44 VAL CB C 34 32.000 32.000 31.627 0.373 18547 186 1 . 1 1 44 44 VAL H H 34 8.570 8.570 8.490 0.080 18547 187 1 . 1 1 45 45 ASP N N 35 116.200 116.200 118.874 -2.674 18547 188 1 . 1 1 45 45 ASP HA H 35 4.290 4.290 4.292 -0.002 18547 189 1 . 1 1 45 45 ASP C C 35 178.800 178.800 178.415 0.385 18547 190 1 . 1 1 45 45 ASP CA C 35 57.500 57.500 57.779 -0.279 18547 191 1 . 1 1 45 45 ASP CB C 35 40.400 40.400 40.159 0.241 18547 192 1 . 1 1 45 45 ASP H H 35 8.520 8.520 8.663 -0.143 18547 193 1 . 1 1 46 46 GLU N N 36 120.100 120.100 119.977 0.123 18547 194 1 . 1 1 46 46 GLU HA H 36 4.260 4.260 4.162 0.098 18547 195 1 . 1 1 46 46 GLU C C 36 179.000 179.000 178.882 0.118 18547 196 1 . 1 1 46 46 GLU CA C 36 58.400 58.400 58.860 -0.460 18547 197 1 . 1 1 46 46 GLU CB C 36 29.700 29.700 29.443 0.257 18547 198 1 . 1 1 46 46 GLU H H 36 7.360 7.360 7.932 -0.572 18547 199 1 . 1 1 47 47 VAL N N 37 121.800 121.800 119.967 1.833 18547 200 1 . 1 1 47 47 VAL HA H 37 3.370 3.370 3.610 -0.240 18547 201 1 . 1 1 47 47 VAL C C 37 177.100 177.100 177.683 -0.583 18547 202 1 . 1 1 47 47 VAL CA C 37 66.900 66.900 66.472 0.428 18547 203 1 . 1 1 47 47 VAL CB C 37 31.000 31.000 31.304 -0.304 18547 204 1 . 1 1 47 47 VAL H H 37 7.680 7.680 7.757 -0.077 18547 205 1 . 1 1 48 48 TRP N N 38 119.800 119.800 121.504 -1.704 18547 206 1 . 1 1 48 48 TRP HA H 38 3.990 3.990 4.276 -0.286 18547 207 1 . 1 1 48 48 TRP C C 38 180.700 180.700 178.118 2.582 18547 208 1 . 1 1 48 48 TRP CA C 38 60.900 60.900 60.557 0.343 18547 209 1 . 1 1 48 48 TRP CB C 38 29.300 29.300 29.621 -0.321 18547 210 1 . 1 1 48 48 TRP H H 38 9.160 9.160 8.529 0.630 18547 211 1 . 1 1 49 49 SER N N 39 116.100 116.100 116.118 -0.018 18547 212 1 . 1 1 49 49 SER HA H 39 4.010 4.010 4.214 -0.204 18547 213 1 . 1 1 49 49 SER C C 39 175.700 175.700 176.682 -0.982 18547 214 1 . 1 1 49 49 SER CA C 39 62.700 62.700 61.779 0.921 18547 215 1 . 1 1 49 49 SER CB C 39 62.700 62.700 62.919 -0.219 18547 216 1 . 1 1 49 49 SER H H 39 8.230 8.230 7.987 0.243 18547 217 1 . 1 1 50 50 ALA N N 40 122.300 122.300 123.991 -1.691 18547 218 1 . 1 1 50 50 ALA HA H 40 4.020 4.020 4.288 -0.268 18547 219 1 . 1 1 50 50 ALA C C 40 176.700 176.700 179.464 -2.764 18547 220 1 . 1 1 50 50 ALA CA C 40 55.200 55.200 55.198 0.002 18547 221 1 . 1 1 50 50 ALA CB C 40 18.800 18.800 18.362 0.438 18547 222 1 . 1 1 50 50 ALA H H 40 7.770 7.770 8.042 -0.272 18547 223 1 . 1 1 51 51 CYS N N 41 109.400 109.400 114.742 -5.342 18547 224 1 . 1 1 51 51 CYS HA H 41 4.510 4.510 4.575 -0.065 18547 225 1 . 1 1 51 51 CYS C C 41 172.200 172.200 176.096 -3.896 18547 226 1 . 1 1 51 51 CYS CA C 41 61.100 61.100 61.400 -0.300 18547 227 1 . 1 1 51 51 CYS CB C 41 29.800 29.800 27.243 2.557 18547 228 1 . 1 1 51 51 CYS H H 41 7.080 7.080 7.993 -0.913 18547 229 1 . 1 1 52 52 THR N N 42 100.100 100.100 111.960 -11.860 18547 230 1 . 1 1 52 52 THR HA H 42 4.240 4.240 4.195 0.045 18547 231 1 . 1 1 52 52 THR C C 42 173.500 173.500 174.660 -1.160 18547 232 1 . 1 1 52 52 THR CA C 42 62.200 62.200 62.345 -0.145 18547 233 1 . 1 1 52 52 THR CB C 42 71.800 71.800 69.776 2.024 18547 234 1 . 1 1 52 52 THR H H 42 6.800 6.800 7.451 -0.651 18547 235 1 . 1 1 53 53 ASP N N 43 123.000 123.000 124.659 -1.659 18547 236 1 . 1 1 53 53 ASP HA H 43 5.080 5.080 4.842 0.238 18547 237 1 . 1 1 53 53 ASP CA C 43 50.600 50.600 52.455 -1.855 18547 238 1 . 1 1 53 53 ASP CB C 43 42.000 42.000 42.229 -0.229 18547 239 1 . 1 1 53 53 ASP H H 43 8.040 8.040 7.856 0.184 18547 240 1 . 1 1 54 54 PRO HA H 44 3.960 3.960 4.157 -0.197 18547 241 1 . 1 1 54 54 PRO C C 44 176.300 176.300 177.997 -1.697 18547 242 1 . 1 1 54 54 PRO CA C 44 65.900 65.900 65.320 0.580 18547 243 1 . 1 1 54 54 PRO CB C 44 32.700 32.700 32.087 0.613 18547 244 1 . 1 1 55 55 ASN N N 45 112.700 112.700 115.783 -3.083 18547 245 1 . 1 1 55 55 ASN HA H 45 4.520 4.520 4.499 0.021 18547 246 1 . 1 1 55 55 ASN C C 45 175.900 175.900 176.896 -0.996 18547 247 1 . 1 1 55 55 ASN CA C 45 55.100 55.100 55.796 -0.696 18547 248 1 . 1 1 55 55 ASN CB C 45 38.900 38.900 38.273 0.627 18547 249 1 . 1 1 55 55 ASN H H 45 8.160 8.160 8.345 -0.185 18547 250 1 . 1 1 56 56 ARG N N 46 117.700 117.700 118.504 -0.804 18547 251 1 . 1 1 56 56 ARG HA H 46 4.250 4.250 4.297 -0.047 18547 252 1 . 1 1 56 56 ARG C C 46 177.100 177.100 178.489 -1.389 18547 253 1 . 1 1 56 56 ARG CA C 46 58.400 58.400 57.895 0.505 18547 254 1 . 1 1 56 56 ARG CB C 46 31.800 31.800 30.589 1.211 18547 255 1 . 1 1 56 56 ARG H H 46 7.940 7.940 7.864 0.076 18547 256 1 . 1 1 57 57 ILE N N 47 120.100 120.100 120.284 -0.184 18547 257 1 . 1 1 57 57 ILE HA H 47 3.420 3.420 3.405 0.015 18547 258 1 . 1 1 57 57 ILE C C 47 177.400 177.400 176.823 0.577 18547 259 1 . 1 1 57 57 ILE CA C 47 64.400 64.400 64.429 -0.029 18547 260 1 . 1 1 57 57 ILE CB C 47 39.500 39.500 37.748 1.752 18547 261 1 . 1 1 57 57 ILE H H 47 8.610 8.610 7.843 0.767 18547 262 1 . 1 1 58 58 ASN N N 48 112.100 112.100 116.767 -4.667 18547 263 1 . 1 1 58 58 ASN HA H 48 3.780 3.780 4.452 -0.672 18547 264 1 . 1 1 58 58 ASN C C 48 175.300 175.300 176.385 -1.085 18547 265 1 . 1 1 58 58 ASN CA C 48 54.400 54.400 54.770 -0.370 18547 266 1 . 1 1 58 58 ASN CB C 48 38.200 38.200 37.960 0.240 18547 267 1 . 1 1 58 58 ASN H H 48 7.440 7.440 7.941 -0.501 18547 268 1 . 1 1 59 59 ARG N N 49 115.600 115.600 118.850 -3.250 18547 269 1 . 1 1 59 59 ARG HA H 49 4.120 4.120 4.149 -0.029 18547 270 1 . 1 1 59 59 ARG C C 49 174.700 174.700 176.538 -1.839 18547 271 1 . 1 1 59 59 ARG CA C 49 55.900 55.900 57.515 -1.615 18547 272 1 . 1 1 59 59 ARG CB C 49 29.900 29.900 29.996 -0.096 18547 273 1 . 1 1 59 59 ARG H H 49 7.370 7.370 7.496 -0.126 18547 274 1 . 1 1 60 60 TRP N N 50 112.500 112.500 115.223 -2.723 18547 275 1 . 1 1 60 60 TRP HA H 50 4.860 4.860 4.759 0.101 18547 276 1 . 1 1 60 60 TRP C C 50 173.400 173.400 174.824 -1.424 18547 277 1 . 1 1 60 60 TRP CA C 50 55.800 55.800 56.468 -0.668 18547 278 1 . 1 1 60 60 TRP CB C 50 31.500 31.500 30.571 0.929 18547 279 1 . 1 1 60 60 TRP H H 50 6.860 6.860 7.316 -0.456 18547 280 1 . 1 1 61 61 PHE N N 51 126.400 126.400 118.863 7.537 18547 281 1 . 1 1 61 61 PHE HA H 51 4.690 4.690 4.630 0.060 18547 282 1 . 1 1 61 61 PHE C C 51 173.000 173.000 173.841 -0.841 18547 283 1 . 1 1 61 61 PHE CA C 51 55.000 55.000 56.503 -1.503 18547 284 1 . 1 1 61 61 PHE CB C 51 37.600 37.600 41.239 -3.639 18547 285 1 . 1 1 61 61 PHE H H 51 7.830 7.830 7.322 0.508 18547 286 1 . 1 1 62 62 ILE N N 52 126.800 126.800 120.763 6.037 18547 287 1 . 1 1 62 62 ILE HA H 52 3.760 3.760 4.019 -0.259 18547 288 1 . 1 1 62 62 ILE C C 52 172.600 172.600 174.797 -2.197 18547 289 1 . 1 1 62 62 ILE CA C 52 59.900 59.900 60.264 -0.364 18547 290 1 . 1 1 62 62 ILE CB C 52 41.600 41.600 39.006 2.594 18547 291 1 . 1 1 62 62 ILE H H 52 6.010 6.010 7.196 -1.186 18547 292 1 . 1 1 63 63 GLU N N 53 124.400 124.400 125.608 -1.208 18547 293 1 . 1 1 63 63 GLU HA H 53 3.850 3.850 4.312 -0.462 18547 294 1 . 1 1 63 63 GLU CA C 53 54.800 54.800 53.983 0.817 18547 295 1 . 1 1 63 63 GLU CB C 53 31.700 31.700 29.484 2.216 18547 296 1 . 1 1 63 63 GLU H H 53 8.280 8.280 8.376 -0.096 18547 297 1 . 1 1 64 64 PRO HA H 54 4.920 4.920 4.791 0.129 18547 298 1 . 1 1 64 64 PRO C C 54 175.500 175.500 176.176 -0.676 18547 299 1 . 1 1 64 64 PRO CA C 54 62.000 62.000 62.135 -0.135 18547 300 1 . 1 1 64 64 PRO CB C 54 31.800 31.800 32.459 -0.659 18547 301 1 . 1 1 65 65 LYS N N 55 120.200 120.200 124.010 -3.810 18547 302 1 . 1 1 65 65 LYS HA H 55 4.780 4.780 4.502 0.278 18547 303 1 . 1 1 65 65 LYS C C 55 176.000 176.000 175.987 0.013 18547 304 1 . 1 1 65 65 LYS CA C 55 54.200 54.200 55.675 -1.475 18547 305 1 . 1 1 65 65 LYS CB C 55 35.300 35.300 34.149 1.151 18547 306 1 . 1 1 65 65 LYS H H 55 8.370 8.370 8.528 -0.158 18547 307 1 . 1 1 66 66 GLY N N 56 109.400 109.400 110.844 -1.444 18547 308 1 . 1 1 66 66 GLY C C 56 171.400 171.400 173.668 -2.269 18547 309 1 . 1 1 66 66 GLY CA C 56 45.400 45.400 45.113 0.287 18547 310 1 . 1 1 66 66 GLY H H 56 8.640 8.640 7.999 0.641 18547 311 1 . 1 1 67 67 ASP N N 57 123.800 123.800 121.474 2.326 18547 312 1 . 1 1 67 67 ASP HA H 57 4.900 4.900 4.604 0.296 18547 313 1 . 1 1 67 67 ASP C C 57 175.600 175.600 177.393 -1.793 18547 314 1 . 1 1 67 67 ASP CA C 57 52.400 52.400 55.540 -3.140 18547 315 1 . 1 1 67 67 ASP CB C 57 40.700 40.700 41.524 -0.824 18547 316 1 . 1 1 67 67 ASP H H 57 7.790 7.790 8.397 -0.607 18547 317 1 . 1 1 68 68 LEU N N 58 122.800 122.800 114.865 7.935 18547 318 1 . 1 1 68 68 LEU HA H 58 4.270 4.270 3.990 0.280 18547 319 1 . 1 1 68 68 LEU C C 58 173.700 173.700 175.858 -2.158 18547 320 1 . 1 1 68 68 LEU CA C 58 54.500 54.500 55.909 -1.409 18547 321 1 . 1 1 68 68 LEU CB C 58 38.300 38.300 40.461 -2.161 18547 322 1 . 1 1 68 68 LEU H H 58 8.330 8.330 7.870 0.460 18547 323 1 . 1 1 69 69 ARG N N 59 121.800 121.800 117.170 4.630 18547 324 1 . 1 1 69 69 ARG HA H 59 4.710 4.710 4.607 0.103 18547 325 1 . 1 1 69 69 ARG CA C 59 54.100 54.100 53.700 0.400 18547 326 1 . 1 1 69 69 ARG CB C 59 31.800 31.800 31.931 -0.131 18547 327 1 . 1 1 69 69 ARG H H 59 8.120 8.120 7.657 0.463 18547 328 1 . 1 1 70 70 GLU N N 60 122.800 122.800 122.162 0.638 18547 329 1 . 1 1 70 70 GLU HA H 60 3.870 3.870 4.060 -0.190 18547 330 1 . 1 1 70 70 GLU C C 60 177.200 177.200 177.348 -0.148 18547 331 1 . 1 1 70 70 GLU CA C 60 60.000 60.000 57.843 2.157 18547 332 1 . 1 1 70 70 GLU CB C 60 30.200 30.200 29.185 1.015 18547 333 1 . 1 1 70 70 GLU H H 60 9.130 9.130 8.716 0.414 18547 334 1 . 1 1 71 71 GLY N N 61 117.100 117.100 114.588 2.512 18547 335 1 . 1 1 71 71 GLY C C 61 174.900 174.900 174.273 0.627 18547 336 1 . 1 1 71 71 GLY CA C 61 45.600 45.600 44.750 0.850 18547 337 1 . 1 1 71 71 GLY H H 61 8.710 8.710 8.472 0.238 18547 338 1 . 1 1 72 72 GLY N N 62 110.300 110.300 109.639 0.661 18547 339 1 . 1 1 72 72 GLY C C 62 174.200 174.200 172.402 1.798 18547 340 1 . 1 1 72 72 GLY CA C 62 43.400 43.400 43.780 -0.380 18547 341 1 . 1 1 72 72 GLY H H 62 8.760 8.760 8.124 0.636 18547 342 1 . 1 1 73 73 ASN N N 63 117.800 117.800 116.265 1.535 18547 343 1 . 1 1 73 73 ASN HA H 63 5.490 5.490 5.205 0.285 18547 344 1 . 1 1 73 73 ASN C C 63 171.400 171.400 173.791 -2.391 18547 345 1 . 1 1 73 73 ASN CA C 63 52.900 52.900 52.084 0.816 18547 346 1 . 1 1 73 73 ASN CB C 63 41.500 41.500 41.873 -0.373 18547 347 1 . 1 1 73 73 ASN H H 63 8.890 8.890 8.324 0.566 18547 348 1 . 1 1 74 74 PHE N N 64 113.500 113.500 115.475 -1.975 18547 349 1 . 1 1 74 74 PHE HA H 64 5.500 5.500 5.442 0.058 18547 350 1 . 1 1 74 74 PHE C C 64 173.200 173.200 173.450 -0.250 18547 351 1 . 1 1 74 74 PHE CA C 64 55.900 55.900 55.474 0.426 18547 352 1 . 1 1 74 74 PHE CB C 64 44.600 44.600 42.500 2.100 18547 353 1 . 1 1 74 74 PHE H H 64 8.700 8.700 8.518 0.182 18547 354 1 . 1 1 75 75 ALA N N 65 122.200 122.200 122.121 0.079 18547 355 1 . 1 1 75 75 ALA HA H 65 4.350 4.350 4.530 -0.180 18547 356 1 . 1 1 75 75 ALA C C 65 176.000 176.000 175.396 0.604 18547 357 1 . 1 1 75 75 ALA CA C 65 52.500 52.500 51.477 1.023 18547 358 1 . 1 1 75 75 ALA CB C 65 21.800 21.800 21.222 0.578 18547 359 1 . 1 1 75 75 ALA H H 65 8.690 8.690 8.354 0.336 18547 360 1 . 1 1 76 76 LEU N N 66 123.800 123.800 124.085 -0.285 18547 361 1 . 1 1 76 76 LEU HA H 66 4.520 4.520 4.541 -0.021 18547 362 1 . 1 1 76 76 LEU C C 66 175.800 175.800 177.315 -1.515 18547 363 1 . 1 1 76 76 LEU CA C 66 52.500 52.500 54.509 -2.009 18547 364 1 . 1 1 76 76 LEU CB C 66 42.400 42.400 43.126 -0.726 18547 365 1 . 1 1 76 76 LEU H H 66 8.350 8.350 8.359 -0.009 18547 366 1 . 1 1 77 77 GLN N N 67 127.400 127.400 120.778 6.622 18547 367 1 . 1 1 77 77 GLN HA H 67 3.900 3.900 4.174 -0.274 18547 368 1 . 1 1 77 77 GLN C C 67 176.600 176.600 176.418 0.182 18547 369 1 . 1 1 77 77 GLN CA C 67 57.800 57.800 56.556 1.244 18547 370 1 . 1 1 77 77 GLN CB C 67 28.000 28.000 29.061 -1.061 18547 371 1 . 1 1 77 77 GLN H H 67 8.590 8.590 8.287 0.303 18547 372 1 . 1 1 78 78 GLY N N 68 114.800 114.800 111.355 3.445 18547 373 1 . 1 1 78 78 GLY C C 68 173.700 173.700 173.605 0.095 18547 374 1 . 1 1 78 78 GLY CA C 68 45.700 45.700 45.289 0.411 18547 375 1 . 1 1 78 78 GLY H H 68 8.920 8.920 8.490 0.430 18547 376 1 . 1 1 79 79 ASN N N 69 124.000 124.000 118.126 5.874 18547 377 1 . 1 1 79 79 ASN HA H 69 4.600 4.600 4.640 -0.040 18547 378 1 . 1 1 79 79 ASN C C 69 173.300 173.300 173.093 0.207 18547 379 1 . 1 1 79 79 ASN CA C 69 52.900 52.900 53.399 -0.499 18547 380 1 . 1 1 79 79 ASN CB C 69 41.600 41.600 39.435 2.165 18547 381 1 . 1 1 79 79 ASN H H 69 8.360 8.360 8.011 0.349 18547 382 1 . 1 1 80 80 ALA N N 70 127.200 127.200 120.033 7.167 18547 383 1 . 1 1 80 80 ALA HA H 70 4.170 4.170 4.352 -0.182 18547 384 1 . 1 1 80 80 ALA C C 70 174.500 174.500 174.846 -0.346 18547 385 1 . 1 1 80 80 ALA CA C 70 52.500 52.500 51.068 1.432 18547 386 1 . 1 1 80 80 ALA CB C 70 18.600 18.600 20.800 -2.200 18547 387 1 . 1 1 80 80 ALA H H 70 8.930 8.930 7.657 1.273 18547 388 1 . 1 1 81 81 SER N N 71 111.000 111.000 113.868 -2.868 18547 389 1 . 1 1 81 81 SER HA H 71 4.170 4.170 4.622 -0.452 18547 390 1 . 1 1 81 81 SER C C 71 170.900 170.900 173.199 -2.299 18547 391 1 . 1 1 81 81 SER CA C 71 56.300 56.300 56.448 -0.148 18547 392 1 . 1 1 81 81 SER CB C 71 66.600 66.600 65.758 0.841 18547 393 1 . 1 1 81 81 SER H H 71 7.980 7.980 8.004 -0.024 18547 394 1 . 1 1 82 82 GLY N N 72 102.700 102.700 108.471 -5.771 18547 395 1 . 1 1 82 82 GLY C C 72 171.700 171.700 171.532 0.168 18547 396 1 . 1 1 82 82 GLY CA C 72 46.200 46.200 44.824 1.376 18547 397 1 . 1 1 82 82 GLY H H 72 6.940 6.940 7.534 -0.594 18547 398 1 . 1 1 83 83 ASP N N 73 117.900 117.900 119.118 -1.218 18547 399 1 . 1 1 83 83 ASP HA H 73 5.430 5.430 5.122 0.308 18547 400 1 . 1 1 83 83 ASP C C 73 176.100 176.100 175.535 0.565 18547 401 1 . 1 1 83 83 ASP CA C 73 52.700 52.700 53.498 -0.798 18547 402 1 . 1 1 83 83 ASP CB C 73 43.600 43.600 44.231 -0.631 18547 403 1 . 1 1 83 83 ASP H H 73 8.770 8.770 8.220 0.550 18547 404 1 . 1 1 84 84 ILE N N 74 120.200 120.200 121.272 -1.072 18547 405 1 . 1 1 84 84 ILE HA H 74 4.530 4.530 4.377 0.153 18547 406 1 . 1 1 84 84 ILE C C 74 175.600 175.600 176.481 -0.881 18547 407 1 . 1 1 84 84 ILE CA C 74 61.700 61.700 59.950 1.750 18547 408 1 . 1 1 84 84 ILE CB C 74 36.700 36.700 36.615 0.085 18547 409 1 . 1 1 84 84 ILE H H 74 8.060 8.060 8.361 -0.301 18547 410 1 . 1 1 85 85 LEU N N 75 130.400 130.400 128.549 1.851 18547 411 1 . 1 1 85 85 LEU HA H 75 4.330 4.330 4.297 0.033 18547 412 1 . 1 1 85 85 LEU C C 75 178.100 178.100 177.296 0.804 18547 413 1 . 1 1 85 85 LEU CA C 75 57.000 57.000 57.047 -0.047 18547 414 1 . 1 1 85 85 LEU CB C 75 42.000 42.000 42.559 -0.559 18547 415 1 . 1 1 85 85 LEU H H 75 8.710 8.710 8.338 0.372 18547 416 1 . 1 1 86 86 ARG N N 76 115.700 115.700 116.287 -0.587 18547 417 1 . 1 1 86 86 ARG HA H 76 4.840 4.840 4.772 0.068 18547 418 1 . 1 1 86 86 ARG C C 76 174.900 174.900 173.848 1.052 18547 419 1 . 1 1 86 86 ARG CA C 76 54.700 54.700 55.207 -0.507 18547 420 1 . 1 1 86 86 ARG CB C 76 33.900 33.900 33.246 0.655 18547 421 1 . 1 1 86 86 ARG H H 76 8.130 8.130 8.023 0.107 18547 422 1 . 1 1 87 87 CYS N N 77 127.100 127.100 121.724 5.376 18547 423 1 . 1 1 87 87 CYS HA H 77 5.130 5.130 5.161 -0.031 18547 424 1 . 1 1 87 87 CYS C C 77 171.700 171.700 174.125 -2.425 18547 425 1 . 1 1 87 87 CYS CA C 77 54.600 54.600 57.046 -2.446 18547 426 1 . 1 1 87 87 CYS CB C 77 33.000 33.000 29.956 3.044 18547 427 1 . 1 1 87 87 CYS H H 77 10.630 10.630 8.963 1.667 18547 428 1 . 1 1 88 88 GLU N N 78 128.200 128.200 125.034 3.166 18547 429 1 . 1 1 88 88 GLU HA H 78 4.950 4.950 4.801 0.149 18547 430 1 . 1 1 88 88 GLU CA C 78 52.100 52.100 53.121 -1.021 18547 431 1 . 1 1 88 88 GLU CB C 78 30.500 30.500 31.054 -0.554 18547 432 1 . 1 1 88 88 GLU H H 78 9.460 9.460 8.911 0.549 18547 433 1 . 1 1 89 89 PRO HA H 79 2.780 2.780 3.579 -0.799 18547 434 1 . 1 1 89 89 PRO CA C 79 60.500 60.500 61.129 -0.629 18547 435 1 . 1 1 89 89 PRO CB C 79 31.600 31.600 31.273 0.327 18547 436 1 . 1 1 90 90 PRO HA H 80 2.250 2.250 3.140 -0.890 18547 437 1 . 1 1 90 90 PRO C C 80 171.400 171.400 176.141 -4.741 18547 438 1 . 1 1 90 90 PRO CA C 80 63.700 63.700 61.546 2.154 18547 439 1 . 1 1 90 90 PRO CB C 80 30.500 30.500 32.042 -1.542 18547 440 1 . 1 1 91 91 ARG N N 81 113.700 113.700 119.087 -5.387 18547 441 1 . 1 1 91 91 ARG HA H 81 4.700 4.700 4.155 0.545 18547 442 1 . 1 1 91 91 ARG C C 81 176.500 176.500 175.957 0.543 18547 443 1 . 1 1 91 91 ARG CA C 81 57.400 57.400 57.950 -0.550 18547 444 1 . 1 1 91 91 ARG CB C 81 34.200 34.200 31.160 3.040 18547 445 1 . 1 1 91 91 ARG H H 81 7.640 7.640 7.623 0.017 18547 446 1 . 1 1 92 92 ARG N N 82 121.000 121.000 114.452 6.548 18547 447 1 . 1 1 92 92 ARG HA H 82 5.700 5.700 5.356 0.344 18547 448 1 . 1 1 92 92 ARG C C 82 172.700 172.700 174.022 -1.322 18547 449 1 . 1 1 92 92 ARG CA C 82 55.900 55.900 54.871 1.029 18547 450 1 . 1 1 92 92 ARG CB C 82 34.100 34.100 34.002 0.099 18547 451 1 . 1 1 92 92 ARG H H 82 7.710 7.710 7.895 -0.185 18547 452 1 . 1 1 93 93 LEU N N 83 130.800 130.800 121.308 9.492 18547 453 1 . 1 1 93 93 LEU HA H 83 5.250 5.250 5.155 0.095 18547 454 1 . 1 1 93 93 LEU C C 83 174.000 174.000 174.934 -0.935 18547 455 1 . 1 1 93 93 LEU CA C 83 53.700 53.700 54.137 -0.437 18547 456 1 . 1 1 93 93 LEU CB C 83 47.100 47.100 45.534 1.566 18547 457 1 . 1 1 93 93 LEU H H 83 9.080 9.080 8.859 0.221 18547 458 1 . 1 1 94 94 THR N N 84 124.200 124.200 121.735 2.465 18547 459 1 . 1 1 94 94 THR HA H 84 5.340 5.340 5.153 0.187 18547 460 1 . 1 1 94 94 THR C C 84 174.100 174.100 173.755 0.345 18547 461 1 . 1 1 94 94 THR CA C 84 62.700 62.700 62.014 0.686 18547 462 1 . 1 1 94 94 THR CB C 84 69.600 69.600 70.043 -0.443 18547 463 1 . 1 1 94 94 THR H H 84 9.310 9.310 8.585 0.725 18547 464 1 . 1 1 95 95 ILE N N 85 121.600 121.600 122.359 -0.759 18547 465 1 . 1 1 95 95 ILE HA H 85 5.630 5.630 5.064 0.566 18547 466 1 . 1 1 95 95 ILE C C 85 175.000 175.000 173.968 1.032 18547 467 1 . 1 1 95 95 ILE CA C 85 59.300 59.300 58.913 0.387 18547 468 1 . 1 1 95 95 ILE CB C 85 40.900 40.900 41.880 -0.980 18547 469 1 . 1 1 95 95 ILE H H 85 9.700 9.700 8.970 0.730 18547 470 1 . 1 1 96 96 SER N N 86 117.900 117.900 116.852 1.048 18547 471 1 . 1 1 96 96 SER HA H 86 5.270 5.270 5.051 0.219 18547 472 1 . 1 1 96 96 SER C C 86 172.200 172.200 173.879 -1.679 18547 473 1 . 1 1 96 96 SER CA C 86 57.600 57.600 57.662 -0.062 18547 474 1 . 1 1 96 96 SER CB C 86 65.700 65.700 65.197 0.503 18547 475 1 . 1 1 96 96 SER H H 86 9.290 9.290 8.602 0.688 18547 476 1 . 1 1 97 97 TRP N N 87 120.000 120.000 125.588 -5.588 18547 477 1 . 1 1 97 97 TRP HA H 87 5.130 5.130 5.090 0.040 18547 478 1 . 1 1 97 97 TRP C C 87 175.500 175.500 173.732 1.768 18547 479 1 . 1 1 97 97 TRP CA C 87 57.900 57.900 56.857 1.043 18547 480 1 . 1 1 97 97 TRP CB C 87 31.500 31.500 32.178 -0.678 18547 481 1 . 1 1 97 97 TRP H H 87 7.790 7.790 8.707 -0.917 18547 482 1 . 1 1 98 98 VAL N N 88 132.200 132.200 129.346 2.854 18547 483 1 . 1 1 98 98 VAL HA H 88 4.460 4.460 4.367 0.093 18547 484 1 . 1 1 98 98 VAL C C 88 175.100 175.100 174.243 0.857 18547 485 1 . 1 1 98 98 VAL CA C 88 62.000 62.000 61.259 0.741 18547 486 1 . 1 1 98 98 VAL CB C 88 32.500 32.500 31.607 0.894 18547 487 1 . 1 1 98 98 VAL H H 88 9.620 9.620 8.292 1.328 18547 488 1 . 1 1 99 99 TYR N N 89 130.300 130.300 128.927 1.373 18547 489 1 . 1 1 99 99 TYR HA H 89 4.440 4.440 4.548 -0.108 18547 490 1 . 1 1 99 99 TYR C C 89 173.900 173.900 175.330 -1.430 18547 491 1 . 1 1 99 99 TYR CA C 89 56.800 56.800 56.924 -0.124 18547 492 1 . 1 1 99 99 TYR CB C 89 42.100 42.100 40.890 1.210 18547 493 1 . 1 1 99 99 TYR H H 89 9.670 9.670 8.461 1.209 18547 494 1 . 1 1 100 100 GLU N N 90 127.100 127.100 125.032 2.068 18547 495 1 . 1 1 100 100 GLU HA H 90 3.940 3.940 4.018 -0.078 18547 496 1 . 1 1 100 100 GLU C C 90 176.700 176.700 176.931 -0.231 18547 497 1 . 1 1 100 100 GLU CA C 90 58.300 58.300 57.808 0.492 18547 498 1 . 1 1 100 100 GLU CB C 90 29.200 29.200 29.011 0.189 18547 499 1 . 1 1 100 100 GLU H H 90 8.080 8.080 8.251 -0.171 18547 500 1 . 1 1 101 101 GLY N N 91 113.100 113.100 111.229 1.871 18547 501 1 . 1 1 101 101 GLY C C 91 173.900 173.900 174.081 -0.181 18547 502 1 . 1 1 101 101 GLY CA C 91 45.200 45.200 45.387 -0.187 18547 503 1 . 1 1 101 101 GLY H H 91 8.850 8.850 8.573 0.277 18547 504 1 . 1 1 102 102 LYS N N 92 120.100 120.100 121.293 -1.193 18547 505 1 . 1 1 102 102 LYS HA H 92 4.990 4.990 4.907 0.083 18547 506 1 . 1 1 102 102 LYS CA C 92 52.500 52.500 53.074 -0.574 18547 507 1 . 1 1 102 102 LYS CB C 92 33.200 33.200 33.203 -0.003 18547 508 1 . 1 1 102 102 LYS H H 92 8.270 8.270 7.771 0.499 18547 509 1 . 1 1 103 103 PRO HA H 93 4.620 4.620 4.466 0.154 18547 510 1 . 1 1 103 103 PRO C C 93 176.700 176.700 176.435 0.266 18547 511 1 . 1 1 103 103 PRO CA C 93 62.400 62.400 63.010 -0.610 18547 512 1 . 1 1 103 103 PRO CB C 93 31.400 31.400 32.243 -0.843 18547 513 1 . 1 1 104 104 ASP N N 94 124.500 124.500 119.277 5.223 18547 514 1 . 1 1 104 104 ASP HA H 94 4.860 4.860 4.751 0.109 18547 515 1 . 1 1 104 104 ASP C C 94 177.100 177.100 175.726 1.374 18547 516 1 . 1 1 104 104 ASP CA C 94 55.900 55.900 54.768 1.132 18547 517 1 . 1 1 104 104 ASP CB C 94 40.500 40.500 41.494 -0.994 18547 518 1 . 1 1 104 104 ASP H H 94 8.850 8.850 8.465 0.385 18547 519 1 . 1 1 105 105 SER N N 95 118.600 118.600 117.698 0.902 18547 520 1 . 1 1 105 105 SER HA H 95 5.280 5.280 4.939 0.341 18547 521 1 . 1 1 105 105 SER C C 95 173.700 173.700 173.012 0.688 18547 522 1 . 1 1 105 105 SER CA C 95 57.900 57.900 57.741 0.159 18547 523 1 . 1 1 105 105 SER CB C 95 65.600 65.600 66.264 -0.664 18547 524 1 . 1 1 105 105 SER H H 95 9.260 9.260 8.430 0.830 18547 525 1 . 1 1 106 106 GLU N N 96 124.100 124.100 123.571 0.529 18547 526 1 . 1 1 106 106 GLU HA H 96 5.180 5.180 4.849 0.331 18547 527 1 . 1 1 106 106 GLU C C 96 172.400 172.400 175.000 -2.600 18547 528 1 . 1 1 106 106 GLU CA C 96 57.200 57.200 55.175 2.026 18547 529 1 . 1 1 106 106 GLU CB C 96 36.100 36.100 32.117 3.983 18547 530 1 . 1 1 106 106 GLU H H 96 8.620 8.620 8.439 0.181 18547 531 1 . 1 1 107 107 VAL N N 97 128.100 128.100 126.887 1.213 18547 532 1 . 1 1 107 107 VAL HA H 97 4.770 4.770 4.634 0.136 18547 533 1 . 1 1 107 107 VAL C C 97 173.100 173.100 174.552 -1.452 18547 534 1 . 1 1 107 107 VAL CA C 97 60.100 60.100 60.942 -0.842 18547 535 1 . 1 1 107 107 VAL CB C 97 34.200 34.200 33.728 0.472 18547 536 1 . 1 1 107 107 VAL H H 97 9.180 9.180 8.648 0.532 18547 537 1 . 1 1 108 108 GLU N N 98 126.200 126.200 124.807 1.393 18547 538 1 . 1 1 108 108 GLU HA H 98 5.580 5.580 5.107 0.473 18547 539 1 . 1 1 108 108 GLU C C 98 172.100 172.100 174.286 -2.186 18547 540 1 . 1 1 108 108 GLU CA C 98 54.200 54.200 54.457 -0.257 18547 541 1 . 1 1 108 108 GLU CB C 98 35.200 35.200 33.527 1.673 18547 542 1 . 1 1 108 108 GLU H H 98 9.300 9.300 8.721 0.579 18547 543 1 . 1 1 109 109 LEU N N 99 128.600 128.600 124.991 3.609 18547 544 1 . 1 1 109 109 LEU HA H 99 5.080 5.080 4.860 0.220 18547 545 1 . 1 1 109 109 LEU C C 99 175.100 175.100 174.610 0.490 18547 546 1 . 1 1 109 109 LEU CA C 99 52.700 52.700 53.735 -1.035 18547 547 1 . 1 1 109 109 LEU CB C 99 46.400 46.400 45.198 1.202 18547 548 1 . 1 1 109 109 LEU H H 99 9.330 9.330 8.634 0.696 18547 549 1 . 1 1 110 110 ARG N N 100 124.700 124.700 126.447 -1.747 18547 550 1 . 1 1 110 110 ARG HA H 100 5.390 5.390 4.929 0.460 18547 551 1 . 1 1 110 110 ARG C C 100 175.400 175.400 174.319 1.081 18547 552 1 . 1 1 110 110 ARG CA C 100 54.600 54.600 54.763 -0.163 18547 553 1 . 1 1 110 110 ARG CB C 100 34.100 34.100 33.162 0.938 18547 554 1 . 1 1 110 110 ARG H H 100 9.430 9.430 8.551 0.879 18547 555 1 . 1 1 111 111 LEU N N 101 122.900 122.900 127.100 -4.200 18547 556 1 . 1 1 111 111 LEU HA H 101 5.620 5.620 5.557 0.063 18547 557 1 . 1 1 111 111 LEU C C 101 177.100 177.100 175.495 1.605 18547 558 1 . 1 1 111 111 LEU CA C 101 53.000 53.000 53.753 -0.753 18547 559 1 . 1 1 111 111 LEU CB C 101 44.900 44.900 45.041 -0.141 18547 560 1 . 1 1 111 111 LEU H H 101 9.120 9.120 8.650 0.470 18547 561 1 . 1 1 112 112 SER N N 102 113.800 113.800 116.717 -2.917 18547 562 1 . 1 1 112 112 SER HA H 102 4.690 4.690 4.676 0.014 18547 563 1 . 1 1 112 112 SER C C 102 172.700 172.700 172.743 -0.043 18547 564 1 . 1 1 112 112 SER CA C 102 57.000 57.000 56.959 0.042 18547 565 1 . 1 1 112 112 SER CB C 102 65.700 65.700 65.889 -0.189 18547 566 1 . 1 1 112 112 SER H H 102 8.770 8.770 8.487 0.283 18547 567 1 . 1 1 113 113 GLU N N 103 123.400 123.400 125.032 -1.632 18547 568 1 . 1 1 113 113 GLU HA H 103 4.440 4.440 4.459 -0.019 18547 569 1 . 1 1 113 113 GLU C C 103 176.600 176.600 176.101 0.499 18547 570 1 . 1 1 113 113 GLU CA C 103 57.500 57.500 56.742 0.758 18547 571 1 . 1 1 113 113 GLU CB C 103 30.200 30.200 30.335 -0.135 18547 572 1 . 1 1 113 113 GLU H H 103 9.200 9.200 8.649 0.552 18547 573 1 . 1 1 114 114 GLU N N 104 126.500 126.500 125.768 0.732 18547 574 1 . 1 1 114 114 GLU HA H 104 4.450 4.450 4.550 -0.100 18547 575 1 . 1 1 114 114 GLU C C 104 175.600 175.600 176.243 -0.643 18547 576 1 . 1 1 114 114 GLU CA C 104 55.700 55.700 55.576 0.124 18547 577 1 . 1 1 114 114 GLU CB C 104 31.300 31.300 31.081 0.219 18547 578 1 . 1 1 114 114 GLU H H 104 8.110 8.110 8.323 -0.212 18547 579 1 . 1 1 115 115 GLY N N 105 118.000 118.000 115.833 2.167 18547 580 1 . 1 1 115 115 GLY C C 105 174.700 174.700 174.374 0.326 18547 581 1 . 1 1 115 115 GLY CA C 105 47.100 47.100 46.455 0.645 18547 582 1 . 1 1 115 115 GLY H H 105 9.030 9.030 8.629 0.401 18547 583 1 . 1 1 116 116 ASP N N 106 126.200 126.200 125.939 0.261 18547 584 1 . 1 1 116 116 ASP HA H 106 4.750 4.750 4.786 -0.036 18547 585 1 . 1 1 116 116 ASP C C 106 175.600 175.600 175.789 -0.189 18547 586 1 . 1 1 116 116 ASP CA C 106 54.300 54.300 53.772 0.528 18547 587 1 . 1 1 116 116 ASP CB C 106 40.800 40.800 41.231 -0.431 18547 588 1 . 1 1 116 116 ASP H H 106 8.800 8.800 8.501 0.299 18547 589 1 . 1 1 117 117 GLY N N 107 109.500 109.500 107.069 2.431 18547 590 1 . 1 1 117 117 GLY C C 107 174.400 174.400 172.820 1.580 18547 591 1 . 1 1 117 117 GLY CA C 107 44.800 44.800 44.855 -0.055 18547 592 1 . 1 1 117 117 GLY H H 107 8.040 8.040 7.707 0.333 18547 593 1 . 1 1 118 118 THR N N 108 120.400 120.400 115.489 4.911 18547 594 1 . 1 1 118 118 THR HA H 108 4.970 4.970 4.963 0.007 18547 595 1 . 1 1 118 118 THR C C 108 173.000 173.000 172.818 0.182 18547 596 1 . 1 1 118 118 THR CA C 108 63.500 63.500 62.151 1.349 18547 597 1 . 1 1 118 118 THR CB C 108 73.000 73.000 72.300 0.700 18547 598 1 . 1 1 118 118 THR H H 108 9.010 9.010 8.475 0.535 18547 599 1 . 1 1 119 119 LEU N N 109 129.000 129.000 128.790 0.210 18547 600 1 . 1 1 119 119 LEU HA H 109 4.790 4.790 4.966 -0.176 18547 601 1 . 1 1 119 119 LEU C C 109 173.500 173.500 174.508 -1.008 18547 602 1 . 1 1 119 119 LEU CA C 109 54.300 54.300 53.917 0.383 18547 603 1 . 1 1 119 119 LEU CB C 109 42.900 42.900 43.624 -0.724 18547 604 1 . 1 1 119 119 LEU H H 109 9.410 9.410 8.725 0.685 18547 605 1 . 1 1 120 120 LEU N N 110 132.200 132.200 128.997 3.203 18547 606 1 . 1 1 120 120 LEU HA H 110 4.820 4.820 5.146 -0.326 18547 607 1 . 1 1 120 120 LEU C C 110 174.100 174.100 174.979 -0.879 18547 608 1 . 1 1 120 120 LEU CA C 110 54.900 54.900 53.763 1.137 18547 609 1 . 1 1 120 120 LEU CB C 110 45.300 45.300 44.209 1.091 18547 610 1 . 1 1 120 120 LEU H H 110 9.430 9.430 8.891 0.539 18547 611 1 . 1 1 121 121 GLU N N 111 125.800 125.800 126.180 -0.380 18547 612 1 . 1 1 121 121 GLU HA H 111 5.530 5.530 4.864 0.666 18547 613 1 . 1 1 121 121 GLU C C 111 173.500 173.500 174.780 -1.280 18547 614 1 . 1 1 121 121 GLU CA C 111 54.500 54.500 54.825 -0.326 18547 615 1 . 1 1 121 121 GLU CB C 111 33.100 33.100 31.693 1.407 18547 616 1 . 1 1 121 121 GLU H H 111 8.970 8.970 8.754 0.216 18547 617 1 . 1 1 122 122 LEU N N 112 127.300 127.300 128.319 -1.019 18547 618 1 . 1 1 122 122 LEU HA H 112 5.030 5.030 4.887 0.143 18547 619 1 . 1 1 122 122 LEU C C 112 173.700 173.700 174.654 -0.954 18547 620 1 . 1 1 122 122 LEU CA C 112 53.200 53.200 53.584 -0.384 18547 621 1 . 1 1 122 122 LEU CB C 112 45.400 45.400 44.295 1.105 18547 622 1 . 1 1 122 122 LEU H H 112 8.950 8.950 8.633 0.317 18547 623 1 . 1 1 123 123 GLU N N 113 127.900 127.900 128.098 -0.198 18547 624 1 . 1 1 123 123 GLU HA H 113 5.750 5.750 5.121 0.629 18547 625 1 . 1 1 123 123 GLU C C 113 174.200 174.200 174.674 -0.474 18547 626 1 . 1 1 123 123 GLU CA C 113 52.900 52.900 54.327 -1.427 18547 627 1 . 1 1 123 123 GLU CB C 113 33.300 33.300 32.069 1.231 18547 628 1 . 1 1 123 123 GLU H H 113 9.350 9.350 8.575 0.775 18547 629 1 . 1 1 124 124 HIS N N 114 128.200 128.200 126.838 1.362 18547 630 1 . 1 1 124 124 HIS HA H 114 5.240 5.240 4.865 0.375 18547 631 1 . 1 1 124 124 HIS C C 114 173.900 173.900 173.015 0.885 18547 632 1 . 1 1 124 124 HIS CA C 114 54.300 54.300 54.475 -0.175 18547 633 1 . 1 1 124 124 HIS CB C 114 34.600 34.600 32.492 2.108 18547 634 1 . 1 1 124 124 HIS H H 114 8.770 8.770 8.365 0.405 18547 635 1 . 1 1 125 125 ALA N N 115 128.600 128.600 131.067 -2.467 18547 636 1 . 1 1 125 125 ALA HA H 115 5.150 5.150 5.450 -0.300 18547 637 1 . 1 1 125 125 ALA C C 115 175.400 175.400 175.751 -0.351 18547 638 1 . 1 1 125 125 ALA CA C 115 50.100 50.100 50.369 -0.269 18547 639 1 . 1 1 125 125 ALA CB C 115 22.500 22.500 21.104 1.396 18547 640 1 . 1 1 125 125 ALA H H 115 9.360 9.360 8.556 0.804 18547 641 1 . 1 1 126 126 THR N N 116 115.800 115.800 118.471 -2.671 18547 642 1 . 1 1 126 126 THR HA H 116 4.960 4.960 4.861 0.099 18547 643 1 . 1 1 126 126 THR C C 116 172.200 172.200 175.237 -3.037 18547 644 1 . 1 1 126 126 THR CA C 116 58.800 58.800 59.808 -1.008 18547 645 1 . 1 1 126 126 THR CB C 116 69.200 69.200 71.300 -2.100 18547 646 1 . 1 1 126 126 THR H H 116 8.760 8.760 8.269 0.491 18547 647 1 . 1 1 127 127 THR N N 117 116.000 116.000 117.348 -1.348 18547 648 1 . 1 1 127 127 THR HA H 117 4.390 4.390 4.361 0.029 18547 649 1 . 1 1 127 127 THR C C 117 174.400 174.400 174.881 -0.481 18547 650 1 . 1 1 127 127 THR CA C 117 62.900 62.900 63.421 -0.521 18547 651 1 . 1 1 127 127 THR CB C 117 68.800 68.800 68.998 -0.198 18547 652 1 . 1 1 127 127 THR H H 117 8.460 8.460 8.779 -0.319 18547 653 1 . 1 1 128 128 SER N N 118 116.400 116.400 117.706 -1.306 18547 654 1 . 1 1 128 128 SER HA H 118 4.890 4.890 4.613 0.277 18547 655 1 . 1 1 128 128 SER C C 118 174.700 174.700 174.614 0.086 18547 656 1 . 1 1 128 128 SER CA C 118 55.400 55.400 57.091 -1.691 18547 657 1 . 1 1 128 128 SER CB C 118 63.000 63.000 64.448 -1.448 18547 658 1 . 1 1 128 128 SER H H 118 7.730 7.730 7.566 0.165 18547 659 1 . 1 1 129 129 GLU N N 119 130.300 130.300 127.860 2.440 18547 660 1 . 1 1 129 129 GLU HA H 119 3.940 3.940 3.965 -0.025 18547 661 1 . 1 1 129 129 GLU C C 119 178.400 178.400 178.297 0.103 18547 662 1 . 1 1 129 129 GLU CA C 119 59.900 59.900 59.933 -0.033 18547 663 1 . 1 1 129 129 GLU CB C 119 29.700 29.700 29.548 0.152 18547 664 1 . 1 1 129 129 GLU H H 119 9.000 9.000 9.142 -0.142 18547 665 1 . 1 1 130 130 GLN N N 120 117.300 117.300 118.426 -1.126 18547 666 1 . 1 1 130 130 GLN HA H 120 4.120 4.120 4.056 0.064 18547 667 1 . 1 1 130 130 GLN C C 120 177.900 177.900 178.106 -0.206 18547 668 1 . 1 1 130 130 GLN CA C 120 58.400 58.400 58.738 -0.338 18547 669 1 . 1 1 130 130 GLN CB C 120 28.000 28.000 28.236 -0.236 18547 670 1 . 1 1 130 130 GLN H H 120 8.410 8.410 8.375 0.035 18547 671 1 . 1 1 131 131 MET N N 121 118.300 118.300 119.684 -1.384 18547 672 1 . 1 1 131 131 MET HA H 121 4.240 4.240 4.151 0.089 18547 673 1 . 1 1 131 131 MET C C 121 176.400 176.400 178.085 -1.685 18547 674 1 . 1 1 131 131 MET CA C 121 57.300 57.300 58.268 -0.968 18547 675 1 . 1 1 131 131 MET CB C 121 32.400 32.400 32.265 0.135 18547 676 1 . 1 1 131 131 MET H H 121 7.640 7.640 7.921 -0.281 18547 677 1 . 1 1 132 132 LEU N N 122 118.700 118.700 119.441 -0.741 18547 678 1 . 1 1 132 132 LEU HA H 122 3.630 3.630 3.810 -0.180 18547 679 1 . 1 1 132 132 LEU C C 122 177.100 177.100 179.206 -2.106 18547 680 1 . 1 1 132 132 LEU CA C 122 58.300 58.300 57.793 0.507 18547 681 1 . 1 1 132 132 LEU CB C 122 41.900 41.900 41.616 0.284 18547 682 1 . 1 1 132 132 LEU H H 122 7.470 7.470 7.812 -0.342 18547 683 1 . 1 1 133 133 VAL N N 123 114.600 114.600 118.568 -3.968 18547 684 1 . 1 1 133 133 VAL HA H 123 3.360 3.360 3.554 -0.194 18547 685 1 . 1 1 133 133 VAL C C 123 176.700 176.700 177.890 -1.190 18547 686 1 . 1 1 133 133 VAL CA C 123 66.600 66.600 66.671 -0.070 18547 687 1 . 1 1 133 133 VAL CB C 123 31.800 31.800 31.301 0.499 18547 688 1 . 1 1 133 133 VAL H H 123 7.040 7.040 7.602 -0.562 18547 689 1 . 1 1 134 134 GLU N N 124 116.700 116.700 120.280 -3.580 18547 690 1 . 1 1 134 134 GLU HA H 124 3.900 3.900 3.902 -0.002 18547 691 1 . 1 1 134 134 GLU C C 124 180.700 180.700 178.869 1.831 18547 692 1 . 1 1 134 134 GLU CA C 124 59.300 59.300 59.671 -0.371 18547 693 1 . 1 1 134 134 GLU CB C 124 29.900 29.900 29.663 0.237 18547 694 1 . 1 1 134 134 GLU H H 124 7.200 7.200 7.938 -0.738 18547 695 1 . 1 1 135 135 VAL N N 125 114.700 114.700 114.959 -0.260 18547 696 1 . 1 1 135 135 VAL HA H 125 3.930 3.930 3.721 0.209 18547 697 1 . 1 1 135 135 VAL C C 125 177.900 177.900 177.764 0.136 18547 698 1 . 1 1 135 135 VAL CA C 125 63.800 63.800 64.885 -1.085 18547 699 1 . 1 1 135 135 VAL CB C 125 30.400 30.400 30.469 -0.069 18547 700 1 . 1 1 135 135 VAL H H 125 8.620 8.620 7.978 0.642 18547 701 1 . 1 1 136 136 GLY N N 126 112.200 112.200 108.738 3.462 18547 702 1 . 1 1 136 136 GLY C C 126 174.800 174.800 175.649 -0.849 18547 703 1 . 1 1 136 136 GLY CA C 126 47.200 47.200 46.618 0.582 18547 704 1 . 1 1 136 136 GLY H H 126 7.750 7.750 7.641 0.109 18547 705 1 . 1 1 137 137 VAL N N 127 119.100 119.100 122.305 -3.205 18547 706 1 . 1 1 137 137 VAL HA H 127 3.510 3.510 3.844 -0.334 18547 707 1 . 1 1 137 137 VAL C C 127 179.100 179.100 177.939 1.161 18547 708 1 . 1 1 137 137 VAL CA C 127 67.400 67.400 65.770 1.630 18547 709 1 . 1 1 137 137 VAL CB C 127 32.500 32.500 31.567 0.933 18547 710 1 . 1 1 137 137 VAL H H 127 7.680 7.680 7.464 0.217 18547 711 1 . 1 1 138 138 GLY N N 128 106.300 106.300 107.588 -1.288 18547 712 1 . 1 1 138 138 GLY C C 128 177.900 177.900 175.878 2.022 18547 713 1 . 1 1 138 138 GLY CA C 128 47.300 47.300 47.185 0.115 18547 714 1 . 1 1 138 138 GLY H H 128 8.210 8.210 8.060 0.150 18547 715 1 . 1 1 139 139 TRP N N 129 122.500 122.500 121.421 1.079 18547 716 1 . 1 1 139 139 TRP HA H 129 4.890 4.890 4.368 0.522 18547 717 1 . 1 1 139 139 TRP C C 129 179.100 179.100 178.349 0.750 18547 718 1 . 1 1 139 139 TRP CA C 129 59.800 59.800 59.516 0.284 18547 719 1 . 1 1 139 139 TRP CB C 129 30.100 30.100 29.558 0.542 18547 720 1 . 1 1 139 139 TRP H H 129 8.880 8.880 7.872 1.008 18547 721 1 . 1 1 140 140 GLU N N 130 119.000 119.000 119.588 -0.588 18547 722 1 . 1 1 140 140 GLU HA H 130 4.020 4.020 4.043 -0.023 18547 723 1 . 1 1 140 140 GLU C C 130 179.300 179.300 179.132 0.168 18547 724 1 . 1 1 140 140 GLU CA C 130 62.900 62.900 59.417 3.483 18547 725 1 . 1 1 140 140 GLU CB C 130 30.600 30.600 29.474 1.126 18547 726 1 . 1 1 140 140 GLU H H 130 8.210 8.210 7.774 0.436 18547 727 1 . 1 1 141 141 MET N N 131 117.100 117.100 118.504 -1.404 18547 728 1 . 1 1 141 141 MET HA H 131 4.330 4.330 4.157 0.173 18547 729 1 . 1 1 141 141 MET C C 131 178.500 178.500 178.249 0.251 18547 730 1 . 1 1 141 141 MET CA C 131 57.700 57.700 58.581 -0.881 18547 731 1 . 1 1 141 141 MET CB C 131 30.600 30.600 32.456 -1.856 18547 732 1 . 1 1 141 141 MET H H 131 8.210 8.210 8.155 0.056 18547 733 1 . 1 1 142 142 ALA N N 132 121.400 121.400 123.648 -2.248 18547 734 1 . 1 1 142 142 ALA HA H 132 4.720 4.720 4.656 0.064 18547 735 1 . 1 1 142 142 ALA C C 132 180.900 180.900 180.107 0.793 18547 736 1 . 1 1 142 142 ALA CA C 132 55.700 55.700 55.274 0.426 18547 737 1 . 1 1 142 142 ALA CB C 132 18.200 18.200 18.745 -0.545 18547 738 1 . 1 1 142 142 ALA H H 132 7.910 7.910 7.981 -0.071 18547 739 1 . 1 1 143 143 LEU N N 133 117.200 117.200 117.744 -0.544 18547 740 1 . 1 1 143 143 LEU HA H 133 4.150 4.150 4.142 0.008 18547 741 1 . 1 1 143 143 LEU C C 133 180.300 180.300 179.150 1.150 18547 742 1 . 1 1 143 143 LEU CA C 133 57.300 57.300 57.012 0.288 18547 743 1 . 1 1 143 143 LEU CB C 133 40.600 40.600 40.543 0.057 18547 744 1 . 1 1 143 143 LEU H H 133 9.190 9.190 8.501 0.689 18547 745 1 . 1 1 144 144 ASP N N 134 122.600 122.600 121.260 1.340 18547 746 1 . 1 1 144 144 ASP HA H 134 4.580 4.580 4.380 0.200 18547 747 1 . 1 1 144 144 ASP C C 134 179.900 179.900 178.527 1.373 18547 748 1 . 1 1 144 144 ASP CA C 134 57.800 57.800 57.528 0.272 18547 749 1 . 1 1 144 144 ASP CB C 134 39.800 39.800 40.793 -0.993 18547 750 1 . 1 1 144 144 ASP H H 134 7.930 7.930 7.974 -0.044 18547 751 1 . 1 1 145 145 PHE N N 135 119.300 119.300 118.152 1.148 18547 752 1 . 1 1 145 145 PHE HA H 135 4.580 4.580 4.430 0.150 18547 753 1 . 1 1 145 145 PHE C C 135 178.000 178.000 177.970 0.030 18547 754 1 . 1 1 145 145 PHE CA C 135 61.700 61.700 60.677 1.023 18547 755 1 . 1 1 145 145 PHE CB C 135 39.400 39.400 38.894 0.506 18547 756 1 . 1 1 145 145 PHE H H 135 7.690 7.690 8.026 -0.336 18547 757 1 . 1 1 146 146 LEU N N 136 124.400 124.400 121.845 2.555 18547 758 1 . 1 1 146 146 LEU HA H 136 3.200 3.200 4.000 -0.800 18547 759 1 . 1 1 146 146 LEU C C 136 178.800 178.800 178.413 0.387 18547 760 1 . 1 1 146 146 LEU CA C 136 58.400 58.400 57.117 1.283 18547 761 1 . 1 1 146 146 LEU CB C 136 38.800 38.800 40.878 -2.078 18547 762 1 . 1 1 146 146 LEU H H 136 7.930 7.930 8.260 -0.330 18547 763 1 . 1 1 147 147 GLY N N 137 104.200 104.200 107.057 -2.857 18547 764 1 . 1 1 147 147 GLY C C 137 176.100 176.100 176.172 -0.072 18547 765 1 . 1 1 147 147 GLY CA C 137 47.900 47.900 47.406 0.494 18547 766 1 . 1 1 147 147 GLY H H 137 8.340 8.340 8.099 0.241 18547 767 1 . 1 1 148 148 MET N N 138 119.300 119.300 120.779 -1.479 18547 768 1 . 1 1 148 148 MET HA H 138 4.090 4.090 4.279 -0.189 18547 769 1 . 1 1 148 148 MET C C 138 177.700 177.700 178.094 -0.394 18547 770 1 . 1 1 148 148 MET CA C 138 59.400 59.400 58.208 1.192 18547 771 1 . 1 1 148 148 MET CB C 138 34.500 34.500 32.407 2.093 18547 772 1 . 1 1 148 148 MET H H 138 7.550 7.550 7.888 -0.338 18547 773 1 . 1 1 149 149 PHE N N 139 120.400 120.400 121.160 -0.760 18547 774 1 . 1 1 149 149 PHE HA H 139 4.380 4.380 4.372 0.008 18547 775 1 . 1 1 149 149 PHE C C 139 179.100 179.100 177.442 1.658 18547 776 1 . 1 1 149 149 PHE CA C 139 60.800 60.800 61.109 -0.309 18547 777 1 . 1 1 149 149 PHE CB C 139 39.200 39.200 39.198 0.002 18547 778 1 . 1 1 149 149 PHE H H 139 8.600 8.600 8.024 0.576 18547 779 1 . 1 1 150 150 ILE N N 140 121.300 121.300 117.474 3.826 18547 780 1 . 1 1 150 150 ILE HA H 140 3.420 3.420 3.536 -0.116 18547 781 1 . 1 1 150 150 ILE C C 140 177.500 177.500 177.105 0.395 18547 782 1 . 1 1 150 150 ILE CA C 140 63.100 63.100 63.668 -0.568 18547 783 1 . 1 1 150 150 ILE CB C 140 37.100 37.100 38.144 -1.044 18547 784 1 . 1 1 150 150 ILE H H 140 8.780 8.780 7.988 0.792 18547 785 1 . 1 1 151 151 ARG N N 141 116.500 116.500 118.963 -2.463 18547 786 1 . 1 1 151 151 ARG HA H 141 4.220 4.220 4.268 -0.048 18547 787 1 . 1 1 151 151 ARG C C 141 176.700 176.700 176.229 0.471 18547 788 1 . 1 1 151 151 ARG CA C 141 57.500 57.500 56.679 0.821 18547 789 1 . 1 1 151 151 ARG CB C 141 31.500 31.500 31.126 0.374 18547 790 1 . 1 1 151 151 ARG H H 141 7.730 7.730 7.884 -0.154 18547 791 1 . 1 1 152 152 GLY N N 142 106.800 106.800 107.505 -0.705 18547 792 1 . 1 1 152 152 GLY C C 142 174.900 174.900 173.992 0.908 18547 793 1 . 1 1 152 152 GLY CA C 142 45.700 45.700 45.139 0.561 18547 794 1 . 1 1 152 152 GLY H H 142 7.570 7.570 7.979 -0.409 18547 795 1 . 1 1 153 153 ASP N N 143 119.400 119.400 120.318 -0.918 18547 796 1 . 1 1 153 153 ASP HA H 143 4.780 4.780 4.610 0.170 18547 797 1 . 1 1 153 153 ASP C C 143 175.400 175.400 175.677 -0.277 18547 798 1 . 1 1 153 153 ASP CA C 143 54.200 54.200 54.530 -0.330 18547 799 1 . 1 1 153 153 ASP CB C 143 42.100 42.100 41.280 0.820 18547 800 1 . 1 1 153 153 ASP H H 143 8.290 8.290 8.055 0.235 18547 801 1 . 1 1 154 154 LEU N N 144 121.300 121.300 122.555 -1.255 18547 802 1 . 1 1 154 154 LEU HA H 144 4.810 4.810 4.651 0.159 18547 803 1 . 1 1 154 154 LEU CA C 144 52.800 52.800 53.745 -0.945 18547 804 1 . 1 1 154 154 LEU CB C 144 42.500 42.500 42.227 0.273 18547 805 1 . 1 1 154 154 LEU H H 144 8.010 8.010 8.160 -0.150 18547 806 1 . 1 1 155 155 PRO HA H 145 4.480 4.480 4.600 -0.120 18547 807 1 . 1 1 155 155 PRO C C 145 177.600 177.600 177.056 0.544 18547 808 1 . 1 1 155 155 PRO CA C 145 63.500 63.500 63.224 0.276 18547 809 1 . 1 1 155 155 PRO CB C 145 32.200 32.200 32.339 -0.139 18547 810 1 . 1 1 156 156 GLY N N 146 108.900 108.900 107.753 1.147 18547 811 1 . 1 1 156 156 GLY C C 146 174.300 174.300 173.843 0.457 18547 812 1 . 1 1 156 156 GLY CA C 146 45.100 45.100 44.862 0.237 18547 813 1 . 1 1 156 156 GLY H H 146 8.530 8.530 8.107 0.423 18547 814 1 . 1 1 157 157 GLY N N 147 108.800 108.800 109.788 -0.988 18547 815 1 . 1 1 157 157 GLY CA C 147 44.500 44.500 44.427 0.074 18547 816 1 . 1 1 157 157 GLY H H 147 8.080 8.080 7.949 0.131 18547 817 1 . 1 1 158 158 PRO HA H 148 4.440 4.440 4.437 0.003 18547 818 1 . 1 1 158 158 PRO C C 148 176.800 176.800 176.333 0.467 18547 819 1 . 1 1 158 158 PRO CA C 148 63.000 63.000 63.064 -0.064 18547 820 1 . 1 1 158 158 PRO CB C 148 32.100 32.100 32.204 -0.104 18547 821 1 . 1 1 159 159 VAL N N 149 121.400 121.400 117.316 4.084 18547 822 1 . 1 1 159 159 VAL HA H 149 4.390 4.390 4.352 0.038 18547 823 1 . 1 1 159 159 VAL CA C 149 59.800 59.800 59.629 0.171 18547 824 1 . 1 1 159 159 VAL CB C 149 32.600 32.600 31.906 0.694 18547 825 1 . 1 1 159 159 VAL H H 149 8.220 8.220 7.788 0.432 18547 826 1 . 1 1 160 160 PRO HA H 150 4.380 4.380 4.344 0.036 18547 827 1 . 1 1 160 160 PRO C C 150 177.200 177.200 176.986 0.214 18547 828 1 . 1 1 160 160 PRO CA C 150 63.300 63.300 64.666 -1.366 18547 829 1 . 1 1 160 160 PRO CB C 150 32.100 32.100 32.229 -0.129 18547 830 1 . 1 1 161 161 GLU N N 151 120.700 120.700 117.310 3.390 18547 831 1 . 1 1 161 161 GLU HA H 151 4.170 4.170 4.327 -0.157 18547 832 1 . 1 1 161 161 GLU CA C 151 57.400 57.400 56.298 1.102 18547 833 1 . 1 1 161 161 GLU CB C 151 29.900 29.900 29.699 0.201 18547 834 1 . 1 1 161 161 GLU H H 151 8.620 8.620 8.241 0.379 18547 835 1 . 1 1 162 162 ASP N N 152 119.900 119.900 120.338 -0.438 18547 836 1 . 1 1 162 162 ASP HA H 152 4.570 4.570 4.503 0.067 18547 837 1 . 1 1 162 162 ASP C C 152 176.000 176.000 175.528 0.472 18547 838 1 . 1 1 162 162 ASP CA C 152 54.200 54.200 54.853 -0.653 18547 839 1 . 1 1 162 162 ASP CB C 152 41.000 41.000 40.398 0.602 18547 840 1 . 1 1 162 162 ASP H H 152 8.250 8.250 8.249 0.001 18547 841 1 . 1 1 163 163 ALA N N 153 124.000 124.000 122.405 1.595 18547 842 1 . 1 1 163 163 ALA HA H 153 4.270 4.270 4.257 0.013 18547 843 1 . 1 1 163 163 ALA C C 153 177.400 177.400 176.611 0.789 18547 844 1 . 1 1 163 163 ALA CA C 153 52.700 52.700 52.567 0.133 18547 845 1 . 1 1 163 163 ALA CB C 153 19.200 19.200 19.128 0.072 18547 846 1 . 1 1 163 163 ALA H H 153 8.040 8.040 8.051 -0.011 18547 847 1 . 1 1 164 164 ALA N N 154 122.600 122.600 121.533 1.067 18547 848 1 . 1 1 164 164 ALA HA H 154 4.260 4.260 4.268 -0.008 18547 849 1 . 1 1 164 164 ALA C C 154 177.900 177.900 176.900 1.000 18547 850 1 . 1 1 164 164 ALA CA C 154 52.600 52.600 52.409 0.190 18547 851 1 . 1 1 164 164 ALA CB C 154 19.300 19.300 18.827 0.473 18547 852 1 . 1 1 164 164 ALA H H 154 8.190 8.190 7.992 0.198 18547 853 1 . 1 1 165 165 GLU N N 155 119.400 119.400 120.513 -1.113 18547 854 1 . 1 1 165 165 GLU HA H 155 4.220 4.220 4.306 -0.086 18547 855 1 . 1 1 165 165 GLU C C 155 176.200 176.200 176.349 -0.149 18547 856 1 . 1 1 165 165 GLU CA C 155 56.500 56.500 56.767 -0.267 18547 857 1 . 1 1 165 165 GLU CB C 155 30.300 30.300 30.189 0.111 18547 858 1 . 1 1 165 165 GLU H H 155 8.190 8.190 8.466 -0.276 18547 859 1 . 1 1 166 166 GLU N N 156 121.000 121.000 120.201 0.798 18547 860 1 . 1 1 166 166 GLU HA H 156 4.240 4.240 4.251 -0.011 18547 861 1 . 1 1 166 166 GLU C C 156 175.800 175.800 175.988 -0.188 18547 862 1 . 1 1 166 166 GLU CA C 156 56.300 56.300 57.035 -0.735 18547 863 1 . 1 1 166 166 GLU CB C 156 30.300 30.300 29.576 0.724 18547 864 1 . 1 1 166 166 GLU H H 156 8.230 8.230 8.432 -0.202 18547 865 1 . 1 1 167 167 PHE N N 157 121.400 121.400 119.803 1.597 18547 866 1 . 1 1 167 167 PHE HA H 157 4.590 4.590 4.510 0.080 18547 867 1 . 1 1 167 167 PHE C C 157 175.100 175.100 175.022 0.078 18547 868 1 . 1 1 167 167 PHE CA C 157 57.700 57.700 58.415 -0.715 18547 869 1 . 1 1 167 167 PHE CB C 157 39.900 39.900 39.691 0.209 18547 870 1 . 1 1 167 167 PHE H H 157 8.240 8.240 8.215 0.025 18547 871 1 . 1 1 168 168 GLU N N 158 124.400 124.400 121.996 2.404 18547 872 1 . 1 1 168 168 GLU HA H 158 4.600 4.600 4.455 0.145 18547 873 1 . 1 1 168 168 GLU CA C 158 53.700 53.700 54.521 -0.821 18547 874 1 . 1 1 168 168 GLU CB C 158 30.400 30.400 29.719 0.681 18547 875 1 . 1 1 168 168 GLU H H 158 8.130 8.130 8.233 -0.103 18547 876 1 . 1 1 169 169 PRO HA H 159 4.460 4.460 4.404 0.056 18547 877 1 . 1 1 169 169 PRO C C 159 176.200 176.200 176.134 0.066 18547 878 1 . 1 1 169 169 PRO CA C 159 62.800 62.800 63.223 -0.423 18547 879 1 . 1 1 169 169 PRO CB C 159 32.300 32.300 31.580 0.720 18547 880 1 . 1 1 170 170 SER N N 160 118.600 118.600 117.571 1.029 18547 881 1 . 1 1 170 170 SER HA H 160 4.780 4.780 4.749 0.031 18547 882 1 . 1 1 170 170 SER CA C 160 56.200 56.200 55.944 0.257 18547 883 1 . 1 1 170 170 SER CB C 160 63.200 63.200 63.824 -0.624 18547 884 1 . 1 1 170 170 SER H H 160 8.290 8.290 7.805 0.485 18547 885 1 . 1 1 171 171 PRO HA H 161 4.350 4.350 4.221 0.129 18547 886 1 . 1 1 171 171 PRO C C 161 179.400 179.400 178.674 0.726 18547 887 1 . 1 1 171 171 PRO CA C 161 65.500 65.500 65.430 0.070 18547 888 1 . 1 1 171 171 PRO CB C 161 31.700 31.700 31.954 -0.254 18547 889 1 . 1 1 172 172 GLU N N 162 118.300 118.300 118.072 0.228 18547 890 1 . 1 1 172 172 GLU HA H 162 4.160 4.160 4.113 0.046 18547 891 1 . 1 1 172 172 GLU C C 162 178.300 178.300 178.757 -0.457 18547 892 1 . 1 1 172 172 GLU CA C 162 59.300 59.300 59.403 -0.103 18547 893 1 . 1 1 172 172 GLU CB C 162 29.400 29.400 29.031 0.369 18547 894 1 . 1 1 172 172 GLU H H 162 8.540 8.540 8.648 -0.108 18547 895 1 . 1 1 173 173 MET N N 163 119.400 119.400 119.242 0.158 18547 896 1 . 1 1 173 173 MET HA H 163 4.260 4.260 4.289 -0.029 18547 897 1 . 1 1 173 173 MET C C 163 179.200 179.200 178.364 0.836 18547 898 1 . 1 1 173 173 MET CA C 163 58.200 58.200 57.673 0.527 18547 899 1 . 1 1 173 173 MET CB C 163 32.500 32.500 32.166 0.334 18547 900 1 . 1 1 173 173 MET H H 163 7.830 7.830 7.790 0.040 18547 901 1 . 1 1 174 174 MET N N 164 119.300 119.300 118.626 0.674 18547 902 1 . 1 1 174 174 MET HA H 164 4.260 4.260 4.149 0.111 18547 903 1 . 1 1 174 174 MET C C 164 178.600 178.600 178.459 0.141 18547 904 1 . 1 1 174 174 MET CA C 164 58.200 58.200 59.105 -0.905 18547 905 1 . 1 1 174 174 MET CB C 164 31.900 31.900 32.063 -0.163 18547 906 1 . 1 1 174 174 MET H H 164 8.320 8.320 8.268 0.052 18547 907 1 . 1 1 175 175 ARG N N 165 121.200 121.200 120.124 1.076 18547 908 1 . 1 1 175 175 ARG HA H 165 4.160 4.160 4.034 0.126 18547 909 1 . 1 1 175 175 ARG C C 165 178.800 178.800 178.585 0.215 18547 910 1 . 1 1 175 175 ARG CA C 165 59.400 59.400 59.325 0.075 18547 911 1 . 1 1 175 175 ARG CB C 165 29.900 29.900 29.871 0.029 18547 912 1 . 1 1 175 175 ARG H H 165 8.020 8.020 7.728 0.292 18547 913 1 . 1 1 176 176 ILE N N 166 120.500 120.500 119.194 1.306 18547 914 1 . 1 1 176 176 ILE HA H 166 3.920 3.920 3.748 0.172 18547 915 1 . 1 1 176 176 ILE C C 166 178.500 178.500 178.017 0.483 18547 916 1 . 1 1 176 176 ILE CA C 166 64.500 64.500 64.817 -0.317 18547 917 1 . 1 1 176 176 ILE CB C 166 37.900 37.900 37.396 0.504 18547 918 1 . 1 1 176 176 ILE H H 166 8.110 8.110 8.164 -0.054 18547 919 1 . 1 1 177 177 SER N N 167 116.300 116.300 115.133 1.167 18547 920 1 . 1 1 177 177 SER HA H 167 4.240 4.240 4.158 0.082 18547 921 1 . 1 1 177 177 SER C C 167 177.300 177.300 176.828 0.472 18547 922 1 . 1 1 177 177 SER CA C 167 62.500 62.500 61.608 0.892 18547 923 1 . 1 1 177 177 SER CB C 167 62.800 62.800 63.057 -0.257 18547 924 1 . 1 1 177 177 SER H H 167 8.290 8.290 7.981 0.308 18547 925 1 . 1 1 178 178 GLN N N 168 123.300 123.300 120.848 2.452 18547 926 1 . 1 1 178 178 GLN HA H 168 4.110 4.110 4.103 0.007 18547 927 1 . 1 1 178 178 GLN C C 168 178.600 178.600 178.321 0.279 18547 928 1 . 1 1 178 178 GLN CA C 168 59.200 59.200 58.548 0.652 18547 929 1 . 1 1 178 178 GLN CB C 168 28.000 28.000 28.317 -0.317 18547 930 1 . 1 1 178 178 GLN H H 168 8.080 8.080 7.873 0.207 18547 931 1 . 1 1 179 179 GLU N N 169 121.200 121.200 120.256 0.944 18547 932 1 . 1 1 179 179 GLU HA H 169 4.090 4.090 4.000 0.090 18547 933 1 . 1 1 179 179 GLU C C 169 180.500 180.500 179.306 1.194 18547 934 1 . 1 1 179 179 GLU CA C 169 59.500 59.500 59.383 0.117 18547 935 1 . 1 1 179 179 GLU CB C 169 29.700 29.700 29.223 0.478 18547 936 1 . 1 1 179 179 GLU H H 169 8.380 8.380 8.274 0.106 18547 937 1 . 1 1 180 180 ARG N N 170 120.800 120.800 118.239 2.561 18547 938 1 . 1 1 180 180 ARG HA H 170 4.010 4.010 4.221 -0.211 18547 939 1 . 1 1 180 180 ARG C C 170 178.100 178.100 179.012 -0.912 18547 940 1 . 1 1 180 180 ARG CA C 170 59.900 59.900 58.335 1.565 18547 941 1 . 1 1 180 180 ARG CB C 170 30.600 30.600 29.881 0.719 18547 942 1 . 1 1 180 180 ARG H H 170 8.670 8.670 8.002 0.668 18547 943 1 . 1 1 181 181 GLY N N 171 108.200 108.200 107.305 0.895 18547 944 1 . 1 1 181 181 GLY C C 171 176.600 176.600 176.365 0.235 18547 945 1 . 1 1 181 181 GLY CA C 171 47.800 47.800 46.872 0.928 18547 946 1 . 1 1 181 181 GLY H H 171 8.550 8.550 8.168 0.382 18547 947 1 . 1 1 182 182 GLU N N 172 121.900 121.900 121.942 -0.042 18547 948 1 . 1 1 182 182 GLU HA H 172 4.110 4.110 4.081 0.029 18547 949 1 . 1 1 182 182 GLU C C 172 179.300 179.300 178.779 0.521 18547 950 1 . 1 1 182 182 GLU CA C 172 59.300 59.300 58.732 0.568 18547 951 1 . 1 1 182 182 GLU CB C 172 29.300 29.300 29.355 -0.055 18547 952 1 . 1 1 182 182 GLU H H 172 8.190 8.190 8.370 -0.180 18547 953 1 . 1 1 183 183 ALA N N 173 123.500 123.500 122.707 0.793 18547 954 1 . 1 1 183 183 ALA HA H 173 4.150 4.150 4.024 0.127 18547 955 1 . 1 1 183 183 ALA C C 173 181.500 181.500 179.453 2.047 18547 956 1 . 1 1 183 183 ALA CA C 173 55.000 55.000 54.758 0.242 18547 957 1 . 1 1 183 183 ALA CB C 173 17.100 17.100 18.010 -0.910 18547 958 1 . 1 1 183 183 ALA H H 173 7.800 7.800 7.600 0.200 18547 959 1 . 1 1 184 184 TRP N N 174 118.100 118.100 118.444 -0.344 18547 960 1 . 1 1 184 184 TRP HA H 174 4.540 4.540 4.291 0.249 18547 961 1 . 1 1 184 184 TRP C C 174 178.500 178.500 178.283 0.217 18547 962 1 . 1 1 184 184 TRP CA C 174 60.600 60.600 59.888 0.712 18547 963 1 . 1 1 184 184 TRP CB C 174 30.800 30.800 29.295 1.505 18547 964 1 . 1 1 184 184 TRP H H 174 8.400 8.400 7.964 0.436 18547 965 1 . 1 1 185 185 ALA N N 175 121.700 121.700 122.133 -0.433 18547 966 1 . 1 1 185 185 ALA HA H 175 3.920 3.920 3.907 0.013 18547 967 1 . 1 1 185 185 ALA C C 175 179.600 179.600 178.725 0.875 18547 968 1 . 1 1 185 185 ALA CA C 175 55.600 55.600 54.659 0.940 18547 969 1 . 1 1 185 185 ALA CB C 175 17.900 17.900 17.815 0.084 18547 970 1 . 1 1 185 185 ALA H H 175 8.800 8.800 8.094 0.706 18547 971 1 . 1 1 186 186 ALA N N 176 119.000 119.000 121.002 -2.002 18547 972 1 . 1 1 186 186 ALA HA H 176 4.190 4.190 3.981 0.209 18547 973 1 . 1 1 186 186 ALA C C 176 180.300 180.300 179.399 0.901 18547 974 1 . 1 1 186 186 ALA CA C 176 54.800 54.800 54.620 0.180 18547 975 1 . 1 1 186 186 ALA CB C 176 17.900 17.900 18.413 -0.513 18547 976 1 . 1 1 186 186 ALA H H 176 7.860 7.860 7.599 0.261 18547 977 1 . 1 1 187 187 LEU N N 177 118.500 118.500 118.469 0.031 18547 978 1 . 1 1 187 187 LEU HA H 177 4.210 4.210 4.024 0.186 18547 979 1 . 1 1 187 187 LEU C C 177 179.400 179.400 179.235 0.165 18547 980 1 . 1 1 187 187 LEU CA C 177 57.600 57.600 57.499 0.101 18547 981 1 . 1 1 187 187 LEU CB C 177 42.700 42.700 42.024 0.676 18547 982 1 . 1 1 187 187 LEU H H 177 7.460 7.460 7.750 -0.290 18547 983 1 . 1 1 188 188 VAL N N 178 118.500 118.500 118.284 0.216 18547 984 1 . 1 1 188 188 VAL HA H 178 3.660 3.660 3.752 -0.092 18547 985 1 . 1 1 188 188 VAL C C 178 177.600 177.600 177.239 0.361 18547 986 1 . 1 1 188 188 VAL CA C 178 66.000 66.000 64.771 1.229 18547 987 1 . 1 1 188 188 VAL CB C 178 32.400 32.400 31.951 0.449 18547 988 1 . 1 1 188 188 VAL H H 178 8.640 8.640 7.821 0.819 18547 989 1 . 1 1 189 189 HIS N N 179 116.000 116.000 117.068 -1.068 18547 990 1 . 1 1 189 189 HIS HA H 179 4.780 4.780 4.569 0.211 18547 991 1 . 1 1 189 189 HIS C C 179 175.300 175.300 176.145 -0.845 18547 992 1 . 1 1 189 189 HIS CA C 179 56.200 56.200 57.263 -1.063 18547 993 1 . 1 1 189 189 HIS CB C 179 28.500 28.500 29.814 -1.314 18547 994 1 . 1 1 189 189 HIS H H 179 8.150 8.150 7.764 0.386 18547 995 1 . 1 1 190 190 SER N N 180 115.000 115.000 114.429 0.571 18547 996 1 . 1 1 190 190 SER HA H 180 4.480 4.480 4.470 0.010 18547 997 1 . 1 1 190 190 SER C C 180 175.100 175.100 175.095 0.005 18547 998 1 . 1 1 190 190 SER CA C 180 59.500 59.500 59.013 0.487 18547 999 1 . 1 1 190 190 SER CB C 180 64.000 64.000 63.743 0.257 18547 1000 1 . 1 1 190 190 SER H H 180 7.820 7.820 7.670 0.150 18547 1001 1 . 1 1 191 191 GLY N N 181 111.100 111.100 110.282 0.818 18547 1002 1 . 1 1 191 191 GLY C C 181 173.400 173.400 173.871 -0.471 18547 1003 1 . 1 1 191 191 GLY CA C 181 45.500 45.500 45.250 0.250 18547 1004 1 . 1 1 191 191 GLY H H 181 8.330 8.330 8.144 0.186 18547 stop_ save_