data_18356 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18356 _Entry.PDB_ID 2LRB 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 18356 _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 2 2 SER N N 2 115.100 115.100 121.818 -6.718 18356 2 1 1 . 1 1 2 2 SER HA H 2 4.820 4.820 4.478 0.342 18356 3 1 1 . 1 1 2 2 SER CA C 2 62.300 62.300 60.032 2.268 18356 4 1 1 . 1 1 2 2 SER CB C 2 67.300 67.300 63.612 3.688 18356 5 1 1 . 1 1 2 2 SER H H 2 8.350 8.350 8.937 -0.587 18356 6 1 1 . 1 1 3 3 SER HA H 3 3.860 3.860 4.594 -0.734 18356 7 1 1 . 1 1 3 3 SER CA C 3 55.800 55.800 57.929 -2.129 18356 8 1 1 . 1 1 3 3 SER CB C 3 61.300 61.300 63.043 -1.743 18356 9 1 1 . 1 1 4 4 GLY N N 4 110.700 110.700 109.211 1.489 18356 10 1 1 . 1 1 4 4 GLY C C 4 173.400 173.400 173.887 -0.487 18356 11 1 1 . 1 1 4 4 GLY CA C 4 45.100 45.100 44.946 0.154 18356 12 1 1 . 1 1 4 4 GLY H H 4 8.320 8.320 8.210 0.110 18356 13 1 1 . 1 1 5 5 VAL N N 5 119.400 119.400 119.839 -0.439 18356 14 1 1 . 1 1 5 5 VAL HA H 5 4.200 4.200 4.108 0.092 18356 15 1 1 . 1 1 5 5 VAL C C 5 175.300 175.300 175.838 -0.538 18356 16 1 1 . 1 1 5 5 VAL CA C 5 61.700 61.700 62.534 -0.834 18356 17 1 1 . 1 1 5 5 VAL CB C 5 33.100 33.100 32.541 0.558 18356 18 1 1 . 1 1 5 5 VAL H H 5 7.810 7.810 7.629 0.181 18356 19 1 1 . 1 1 6 6 MET N N 6 124.000 124.000 129.094 -5.094 18356 20 1 1 . 1 1 6 6 MET HA H 6 4.650 4.650 4.770 -0.120 18356 21 1 1 . 1 1 6 6 MET C C 6 174.800 174.800 175.012 -0.212 18356 22 1 1 . 1 1 6 6 MET CA C 6 54.200 54.200 54.603 -0.403 18356 23 1 1 . 1 1 6 6 MET CB C 6 36.000 36.000 33.872 2.128 18356 24 1 1 . 1 1 6 6 MET H H 6 8.180 8.180 9.034 -0.854 18356 25 1 1 . 1 1 7 7 VAL N N 7 122.400 122.400 119.720 2.680 18356 26 1 1 . 1 1 7 7 VAL HA H 7 4.090 4.090 4.373 -0.283 18356 27 1 1 . 1 1 7 7 VAL C C 7 175.500 175.500 174.942 0.558 18356 28 1 1 . 1 1 7 7 VAL CA C 7 62.300 62.300 60.501 1.799 18356 29 1 1 . 1 1 7 7 VAL CB C 7 32.500 32.500 32.619 -0.119 18356 30 1 1 . 1 1 7 7 VAL H H 7 8.790 8.790 8.407 0.383 18356 31 1 1 . 1 1 8 8 ASP N N 8 131.400 131.400 128.680 2.720 18356 32 1 1 . 1 1 8 8 ASP HA H 8 4.710 4.710 4.688 0.022 18356 33 1 1 . 1 1 8 8 ASP C C 8 175.800 175.800 177.165 -1.365 18356 34 1 1 . 1 1 8 8 ASP CA C 8 53.900 53.900 52.471 1.429 18356 35 1 1 . 1 1 8 8 ASP CB C 8 44.800 44.800 42.441 2.359 18356 36 1 1 . 1 1 8 8 ASP H H 8 8.800 8.800 8.528 0.272 18356 37 1 1 . 1 1 9 9 PRO HA H 9 4.480 4.480 4.137 0.343 18356 38 1 1 . 1 1 9 9 PRO CA C 9 63.000 63.000 64.896 -1.896 18356 39 1 1 . 1 1 10 10 ASP N N 10 116.700 116.700 118.248 -1.548 18356 40 1 1 . 1 1 10 10 ASP HA H 10 4.780 4.780 4.434 0.346 18356 41 1 1 . 1 1 10 10 ASP C C 10 179.100 179.100 178.521 0.579 18356 42 1 1 . 1 1 10 10 ASP CA C 10 56.200 56.200 56.259 -0.059 18356 43 1 1 . 1 1 10 10 ASP CB C 10 40.700 40.700 40.744 -0.044 18356 44 1 1 . 1 1 10 10 ASP H H 10 9.060 9.060 8.350 0.710 18356 45 1 1 . 1 1 11 11 VAL N N 11 122.600 122.600 119.672 2.928 18356 46 1 1 . 1 1 11 11 VAL HA H 11 3.630 3.630 3.690 -0.060 18356 47 1 1 . 1 1 11 11 VAL C C 11 176.900 176.900 177.780 -0.880 18356 48 1 1 . 1 1 11 11 VAL CA C 11 67.400 67.400 66.666 0.734 18356 49 1 1 . 1 1 11 11 VAL CB C 11 31.100 31.100 31.616 -0.516 18356 50 1 1 . 1 1 11 11 VAL H H 11 8.510 8.510 7.890 0.620 18356 51 1 1 . 1 1 12 12 GLN N N 12 117.400 117.400 118.289 -0.889 18356 52 1 1 . 1 1 12 12 GLN HA H 12 4.030 4.030 4.027 0.003 18356 53 1 1 . 1 1 12 12 GLN C C 12 178.800 178.800 178.536 0.264 18356 54 1 1 . 1 1 12 12 GLN CA C 12 59.800 59.800 59.208 0.592 18356 55 1 1 . 1 1 12 12 GLN CB C 12 29.000 29.000 28.593 0.407 18356 56 1 1 . 1 1 12 12 GLN H H 12 7.740 7.740 7.711 0.029 18356 57 1 1 . 1 1 13 13 THR N N 13 113.600 113.600 116.985 -3.385 18356 58 1 1 . 1 1 13 13 THR HA H 13 4.020 4.020 3.907 0.113 18356 59 1 1 . 1 1 13 13 THR C C 13 177.600 177.600 176.885 0.715 18356 60 1 1 . 1 1 13 13 THR CA C 13 66.100 66.100 66.033 0.067 18356 61 1 1 . 1 1 13 13 THR CB C 13 68.400 68.400 68.558 -0.158 18356 62 1 1 . 1 1 13 13 THR H H 13 7.910 7.910 7.569 0.341 18356 63 1 1 . 1 1 14 14 SER N N 14 118.100 118.100 117.435 0.665 18356 64 1 1 . 1 1 14 14 SER HA H 14 4.330 4.330 4.098 0.232 18356 65 1 1 . 1 1 14 14 SER C C 14 175.900 175.900 175.786 0.114 18356 66 1 1 . 1 1 14 14 SER CA C 14 63.400 63.400 61.792 1.608 18356 67 1 1 . 1 1 14 14 SER CB C 14 62.300 62.300 62.629 -0.329 18356 68 1 1 . 1 1 14 14 SER H H 14 8.630 8.630 8.242 0.388 18356 69 1 1 . 1 1 15 15 PHE N N 15 122.400 122.400 118.553 3.847 18356 70 1 1 . 1 1 15 15 PHE HA H 15 4.260 4.260 4.248 0.012 18356 71 1 1 . 1 1 15 15 PHE C C 15 178.900 178.900 177.087 1.813 18356 72 1 1 . 1 1 15 15 PHE CA C 15 62.200 62.200 59.390 2.810 18356 73 1 1 . 1 1 15 15 PHE CB C 15 40.000 40.000 38.343 1.657 18356 74 1 1 . 1 1 15 15 PHE H H 15 8.280 8.280 7.384 0.896 18356 75 1 1 . 1 1 16 16 GLN N N 16 121.400 121.400 119.965 1.435 18356 76 1 1 . 1 1 16 16 GLN HA H 16 3.970 3.970 4.009 -0.039 18356 77 1 1 . 1 1 16 16 GLN C C 16 177.600 177.600 178.058 -0.458 18356 78 1 1 . 1 1 16 16 GLN CA C 16 59.400 59.400 59.306 0.094 18356 79 1 1 . 1 1 16 16 GLN CB C 16 28.100 28.100 28.468 -0.368 18356 80 1 1 . 1 1 16 16 GLN H H 16 8.600 8.600 7.559 1.041 18356 81 1 1 . 1 1 17 17 LYS N N 17 117.000 117.000 117.648 -0.648 18356 82 1 1 . 1 1 17 17 LYS HA H 17 4.180 4.180 4.334 -0.154 18356 83 1 1 . 1 1 17 17 LYS C C 17 175.200 175.200 178.492 -3.292 18356 84 1 1 . 1 1 17 17 LYS CA C 17 58.800 58.800 58.236 0.564 18356 85 1 1 . 1 1 17 17 LYS CB C 17 33.300 33.300 31.876 1.424 18356 86 1 1 . 1 1 17 17 LYS H H 17 7.440 7.440 7.494 -0.054 18356 87 1 1 . 1 1 18 18 LEU N N 18 118.900 118.900 120.916 -2.016 18356 88 1 1 . 1 1 18 18 LEU HA H 18 4.440 4.440 4.641 -0.201 18356 89 1 1 . 1 1 18 18 LEU C C 18 173.600 173.600 177.446 -3.846 18356 90 1 1 . 1 1 18 18 LEU CA C 18 57.200 57.200 56.324 0.876 18356 91 1 1 . 1 1 18 18 LEU CB C 18 44.200 44.200 42.102 2.098 18356 92 1 1 . 1 1 18 18 LEU H H 18 7.510 7.510 7.191 0.319 18356 93 1 1 . 1 1 19 19 SER N N 19 110.200 110.200 111.883 -1.683 18356 94 1 1 . 1 1 19 19 SER HA H 19 3.980 3.980 4.444 -0.464 18356 95 1 1 . 1 1 19 19 SER C C 19 174.400 174.400 175.341 -0.941 18356 96 1 1 . 1 1 19 19 SER CA C 19 59.500 59.500 60.475 -0.975 18356 97 1 1 . 1 1 19 19 SER CB C 19 65.200 65.200 63.786 1.414 18356 98 1 1 . 1 1 19 19 SER H H 19 7.860 7.860 7.715 0.145 18356 99 1 1 . 1 1 20 20 GLU N N 20 120.500 120.500 118.440 2.060 18356 100 1 1 . 1 1 20 20 GLU HA H 20 4.530 4.530 4.473 0.057 18356 101 1 1 . 1 1 20 20 GLU C C 20 176.100 176.100 176.832 -0.732 18356 102 1 1 . 1 1 20 20 GLU CA C 20 55.400 55.400 56.329 -0.929 18356 103 1 1 . 1 1 20 20 GLU CB C 20 31.700 31.700 31.022 0.678 18356 104 1 1 . 1 1 20 20 GLU H H 20 7.990 7.990 7.650 0.340 18356 105 1 1 . 1 1 21 21 GLY N N 21 107.000 107.000 107.423 -0.423 18356 106 1 1 . 1 1 21 21 GLY C C 21 175.400 175.400 173.164 2.236 18356 107 1 1 . 1 1 21 21 GLY CA C 21 46.800 46.800 44.818 1.982 18356 108 1 1 . 1 1 21 21 GLY H H 21 8.480 8.480 7.548 0.932 18356 109 1 1 . 1 1 22 22 ARG N N 22 124.100 124.100 119.401 4.699 18356 110 1 1 . 1 1 22 22 ARG HA H 22 4.130 4.130 4.812 -0.682 18356 111 1 1 . 1 1 22 22 ARG C C 22 175.900 175.900 176.921 -1.021 18356 112 1 1 . 1 1 22 22 ARG CA C 22 56.900 56.900 55.329 1.571 18356 113 1 1 . 1 1 22 22 ARG CB C 22 29.900 29.900 30.345 -0.445 18356 114 1 1 . 1 1 22 22 ARG H H 22 8.680 8.680 8.644 0.036 18356 115 1 1 . 1 1 23 23 LYS N N 23 117.800 117.800 118.118 -0.318 18356 116 1 1 . 1 1 23 23 LYS HA H 23 3.950 3.950 4.394 -0.444 18356 117 1 1 . 1 1 23 23 LYS C C 23 176.200 176.200 177.523 -1.323 18356 118 1 1 . 1 1 23 23 LYS CA C 23 57.200 57.200 58.093 -0.893 18356 119 1 1 . 1 1 23 23 LYS CB C 23 29.900 29.900 32.398 -2.498 18356 120 1 1 . 1 1 23 23 LYS H H 23 8.130 8.130 8.168 -0.038 18356 121 1 1 . 1 1 24 24 GLU N N 24 117.900 117.900 119.223 -1.323 18356 122 1 1 . 1 1 24 24 GLU HA H 24 3.910 3.910 4.201 -0.291 18356 123 1 1 . 1 1 24 24 GLU C C 24 177.500 177.500 175.708 1.792 18356 124 1 1 . 1 1 24 24 GLU CA C 24 58.500 58.500 57.010 1.490 18356 125 1 1 . 1 1 24 24 GLU CB C 24 30.900 30.900 29.917 0.983 18356 126 1 1 . 1 1 24 24 GLU H H 24 8.170 8.170 8.755 -0.585 18356 127 1 1 . 1 1 25 25 TYR N N 25 113.100 113.100 117.069 -3.969 18356 128 1 1 . 1 1 25 25 TYR HA H 25 4.530 4.530 4.507 0.023 18356 129 1 1 . 1 1 25 25 TYR C C 25 173.600 173.600 173.372 0.228 18356 130 1 1 . 1 1 25 25 TYR CA C 25 55.300 55.300 57.200 -1.900 18356 131 1 1 . 1 1 25 25 TYR CB C 25 40.200 40.200 42.031 -1.831 18356 132 1 1 . 1 1 25 25 TYR H H 25 6.950 6.950 7.578 -0.628 18356 133 1 1 . 1 1 26 26 ARG N N 26 120.500 120.500 120.541 -0.041 18356 134 1 1 . 1 1 26 26 ARG HA H 26 4.660 4.660 4.560 0.100 18356 135 1 1 . 1 1 26 26 ARG C C 26 174.600 174.600 174.525 0.075 18356 136 1 1 . 1 1 26 26 ARG CA C 26 54.000 54.000 55.956 -1.956 18356 137 1 1 . 1 1 26 26 ARG CB C 26 31.500 31.500 31.758 -0.258 18356 138 1 1 . 1 1 26 26 ARG H H 26 9.450 9.450 7.890 1.560 18356 139 1 1 . 1 1 27 27 TYR N N 27 109.700 109.700 115.333 -5.633 18356 140 1 1 . 1 1 27 27 TYR HA H 27 4.930 4.930 5.734 -0.804 18356 141 1 1 . 1 1 27 27 TYR C C 27 172.700 172.700 174.035 -1.335 18356 142 1 1 . 1 1 27 27 TYR CA C 27 56.200 56.200 56.949 -0.749 18356 143 1 1 . 1 1 27 27 TYR CB C 27 40.800 40.800 41.066 -0.266 18356 144 1 1 . 1 1 27 27 TYR H H 27 7.450 7.450 7.158 0.292 18356 145 1 1 . 1 1 28 28 ILE N N 28 117.400 117.400 121.908 -4.508 18356 146 1 1 . 1 1 28 28 ILE HA H 28 4.780 4.780 4.537 0.243 18356 147 1 1 . 1 1 28 28 ILE C C 28 174.400 174.400 174.133 0.267 18356 148 1 1 . 1 1 28 28 ILE CA C 28 60.200 60.200 59.582 0.618 18356 149 1 1 . 1 1 28 28 ILE CB C 28 43.300 43.300 42.960 0.340 18356 150 1 1 . 1 1 28 28 ILE H H 28 8.750 8.750 8.529 0.221 18356 151 1 1 . 1 1 29 29 ILE N N 29 125.100 125.100 122.824 2.276 18356 152 1 1 . 1 1 29 29 ILE HA H 29 4.670 4.670 5.527 -0.857 18356 153 1 1 . 1 1 29 29 ILE C C 29 174.600 174.600 174.099 0.501 18356 154 1 1 . 1 1 29 29 ILE CA C 29 60.800 60.800 59.498 1.302 18356 155 1 1 . 1 1 29 29 ILE CB C 29 40.500 40.500 39.250 1.250 18356 156 1 1 . 1 1 29 29 ILE H H 29 9.180 9.180 7.927 1.253 18356 157 1 1 . 1 1 30 30 PHE N N 30 126.100 126.100 126.734 -0.634 18356 158 1 1 . 1 1 30 30 PHE HA H 30 5.760 5.760 5.626 0.134 18356 159 1 1 . 1 1 30 30 PHE C C 30 174.100 174.100 175.195 -1.095 18356 160 1 1 . 1 1 30 30 PHE CA C 30 55.900 55.900 56.870 -0.970 18356 161 1 1 . 1 1 30 30 PHE CB C 30 42.300 42.300 42.829 -0.529 18356 162 1 1 . 1 1 30 30 PHE H H 30 9.650 9.650 9.593 0.057 18356 163 1 1 . 1 1 31 31 LYS N N 31 118.900 118.900 119.095 -0.195 18356 164 1 1 . 1 1 31 31 LYS HA H 31 5.320 5.320 5.208 0.112 18356 165 1 1 . 1 1 31 31 LYS C C 31 173.000 173.000 174.577 -1.577 18356 166 1 1 . 1 1 31 31 LYS CA C 31 53.800 53.800 54.566 -0.766 18356 167 1 1 . 1 1 31 31 LYS CB C 31 38.100 38.100 36.327 1.773 18356 168 1 1 . 1 1 31 31 LYS H H 31 8.990 8.990 9.384 -0.394 18356 169 1 1 . 1 1 32 32 ILE N N 32 120.500 120.500 122.070 -1.570 18356 170 1 1 . 1 1 32 32 ILE HA H 32 4.780 4.780 4.821 -0.041 18356 171 1 1 . 1 1 32 32 ILE C C 32 175.200 175.200 174.211 0.989 18356 172 1 1 . 1 1 32 32 ILE CA C 32 60.700 60.700 59.719 0.981 18356 173 1 1 . 1 1 32 32 ILE CB C 32 41.300 41.300 40.637 0.663 18356 174 1 1 . 1 1 32 32 ILE H H 32 8.420 8.420 8.075 0.345 18356 175 1 1 . 1 1 33 33 ASP N N 33 130.100 130.100 129.199 0.901 18356 176 1 1 . 1 1 33 33 ASP HA H 33 4.880 4.880 4.902 -0.022 18356 177 1 1 . 1 1 33 33 ASP C C 33 175.300 175.300 176.491 -1.191 18356 178 1 1 . 1 1 33 33 ASP CA C 33 53.500 53.500 53.560 -0.060 18356 179 1 1 . 1 1 33 33 ASP CB C 33 44.500 44.500 43.696 0.804 18356 180 1 1 . 1 1 33 33 ASP H H 33 9.270 9.270 8.083 1.187 18356 181 1 1 . 1 1 34 34 GLU N N 34 123.600 123.600 123.204 0.396 18356 182 1 1 . 1 1 34 34 GLU HA H 34 3.730 3.730 4.382 -0.652 18356 183 1 1 . 1 1 34 34 GLU C C 34 175.000 175.000 177.756 -2.756 18356 184 1 1 . 1 1 34 34 GLU CA C 34 58.200 58.200 57.994 0.206 18356 185 1 1 . 1 1 34 34 GLU CB C 34 27.500 27.500 29.907 -2.407 18356 186 1 1 . 1 1 34 34 GLU H H 34 9.040 9.040 8.926 0.114 18356 187 1 1 . 1 1 35 35 ASN N N 35 114.200 114.200 117.620 -3.420 18356 188 1 1 . 1 1 35 35 ASN HA H 35 4.380 4.380 4.668 -0.288 18356 189 1 1 . 1 1 35 35 ASN C C 35 173.500 173.500 175.095 -1.595 18356 190 1 1 . 1 1 35 35 ASN CA C 35 53.700 53.700 54.471 -0.771 18356 191 1 1 . 1 1 35 35 ASN CB C 35 38.500 38.500 40.129 -1.629 18356 192 1 1 . 1 1 35 35 ASN H H 35 8.570 8.570 8.968 -0.398 18356 193 1 1 . 1 1 36 36 LYS N N 36 118.400 118.400 120.347 -1.947 18356 194 1 1 . 1 1 36 36 LYS HA H 36 5.340 5.340 4.527 0.813 18356 195 1 1 . 1 1 36 36 LYS C C 36 174.900 174.900 175.800 -0.900 18356 196 1 1 . 1 1 36 36 LYS CA C 36 54.500 54.500 54.518 -0.018 18356 197 1 1 . 1 1 36 36 LYS CB C 36 36.100 36.100 34.733 1.367 18356 198 1 1 . 1 1 36 36 LYS H H 36 7.750 7.750 7.685 0.065 18356 199 1 1 . 1 1 37 37 VAL N N 37 122.900 122.900 121.550 1.350 18356 200 1 1 . 1 1 37 37 VAL HA H 37 4.550 4.550 4.297 0.253 18356 201 1 1 . 1 1 37 37 VAL C C 37 174.600 174.600 174.374 0.226 18356 202 1 1 . 1 1 37 37 VAL CA C 37 62.000 62.000 61.539 0.461 18356 203 1 1 . 1 1 37 37 VAL CB C 37 32.300 32.300 29.596 2.704 18356 204 1 1 . 1 1 37 37 VAL H H 37 8.790 8.790 8.800 -0.010 18356 205 1 1 . 1 1 38 38 ILE N N 38 119.600 119.600 126.191 -6.591 18356 206 1 1 . 1 1 38 38 ILE HA H 38 4.880 4.880 5.013 -0.133 18356 207 1 1 . 1 1 38 38 ILE C C 38 176.200 176.200 175.140 1.060 18356 208 1 1 . 1 1 38 38 ILE CA C 38 59.300 59.300 59.832 -0.532 18356 209 1 1 . 1 1 38 38 ILE CB C 38 42.800 42.800 42.698 0.102 18356 210 1 1 . 1 1 38 38 ILE H H 38 9.230 9.230 8.330 0.900 18356 211 1 1 . 1 1 39 39 VAL N N 39 121.300 121.300 127.236 -5.936 18356 212 1 1 . 1 1 39 39 VAL HA H 39 3.850 3.850 4.649 -0.799 18356 213 1 1 . 1 1 39 39 VAL C C 39 175.300 175.300 175.374 -0.074 18356 214 1 1 . 1 1 39 39 VAL CA C 39 63.900 63.900 62.140 1.760 18356 215 1 1 . 1 1 39 39 VAL CB C 39 32.100 32.100 30.906 1.194 18356 216 1 1 . 1 1 39 39 VAL H H 39 9.070 9.070 8.549 0.521 18356 217 1 1 . 1 1 40 40 GLU N N 40 131.200 131.200 126.711 4.489 18356 218 1 1 . 1 1 40 40 GLU HA H 40 4.270 4.270 4.889 -0.619 18356 219 1 1 . 1 1 40 40 GLU C C 40 176.000 176.000 174.995 1.005 18356 220 1 1 . 1 1 40 40 GLU CA C 40 57.200 57.200 54.129 3.071 18356 221 1 1 . 1 1 40 40 GLU CB C 40 32.300 32.300 32.418 -0.118 18356 222 1 1 . 1 1 40 40 GLU H H 40 9.230 9.230 8.424 0.806 18356 223 1 1 . 1 1 41 41 ALA N N 41 118.100 118.100 124.751 -6.651 18356 224 1 1 . 1 1 41 41 ALA HA H 41 4.440 4.440 4.779 -0.339 18356 225 1 1 . 1 1 41 41 ALA C C 41 173.300 173.300 176.305 -3.005 18356 226 1 1 . 1 1 41 41 ALA CA C 41 52.000 52.000 50.928 1.072 18356 227 1 1 . 1 1 41 41 ALA CB C 41 21.800 21.800 20.165 1.635 18356 228 1 1 . 1 1 41 41 ALA H H 41 7.670 7.670 8.521 -0.851 18356 229 1 1 . 1 1 42 42 ALA N N 42 127.600 127.600 124.478 3.122 18356 230 1 1 . 1 1 42 42 ALA HA H 42 4.520 4.520 4.655 -0.135 18356 231 1 1 . 1 1 42 42 ALA C C 42 174.900 174.900 175.281 -0.381 18356 232 1 1 . 1 1 42 42 ALA CA C 42 51.700 51.700 51.060 0.640 18356 233 1 1 . 1 1 42 42 ALA CB C 42 19.100 19.100 21.446 -2.346 18356 234 1 1 . 1 1 42 42 ALA H H 42 8.480 8.480 8.468 0.012 18356 235 1 1 . 1 1 43 43 VAL N N 43 124.900 124.900 117.597 7.303 18356 236 1 1 . 1 1 43 43 VAL HA H 43 4.350 4.350 4.327 0.023 18356 237 1 1 . 1 1 43 43 VAL C C 43 176.100 176.100 175.591 0.509 18356 238 1 1 . 1 1 43 43 VAL CA C 43 62.100 62.100 61.543 0.557 18356 239 1 1 . 1 1 43 43 VAL CB C 43 34.300 34.300 32.421 1.879 18356 240 1 1 . 1 1 43 43 VAL H H 43 7.820 7.820 8.156 -0.336 18356 241 1 1 . 1 1 44 44 THR N N 44 119.400 119.400 117.302 2.098 18356 242 1 1 . 1 1 44 44 THR HA H 44 4.800 4.800 4.409 0.391 18356 243 1 1 . 1 1 44 44 THR C C 44 174.300 174.300 175.785 -1.485 18356 244 1 1 . 1 1 44 44 THR CA C 44 60.300 60.300 62.047 -1.748 18356 245 1 1 . 1 1 44 44 THR CB C 44 71.200 71.200 70.014 1.186 18356 246 1 1 . 1 1 44 44 THR H H 44 8.670 8.670 8.276 0.394 18356 247 1 1 . 1 1 45 45 GLN N N 45 119.800 119.800 121.905 -2.105 18356 248 1 1 . 1 1 45 45 GLN HA H 45 4.010 4.010 4.247 -0.237 18356 249 1 1 . 1 1 45 45 GLN C C 45 179.600 179.600 177.134 2.466 18356 250 1 1 . 1 1 45 45 GLN CA C 45 59.000 59.000 57.639 1.361 18356 251 1 1 . 1 1 45 45 GLN CB C 45 27.600 27.600 28.848 -1.248 18356 252 1 1 . 1 1 45 45 GLN H H 45 8.660 8.660 8.679 -0.019 18356 253 1 1 . 1 1 46 46 ASP N N 46 117.300 117.300 119.275 -1.975 18356 254 1 1 . 1 1 46 46 ASP HA H 46 4.390 4.390 4.224 0.166 18356 255 1 1 . 1 1 46 46 ASP C C 46 178.900 178.900 177.093 1.807 18356 256 1 1 . 1 1 46 46 ASP CA C 46 57.100 57.100 56.841 0.259 18356 257 1 1 . 1 1 46 46 ASP CB C 46 40.800 40.800 39.643 1.157 18356 258 1 1 . 1 1 46 46 ASP H H 46 8.430 8.430 8.313 0.117 18356 259 1 1 . 1 1 47 47 GLN N N 47 118.900 118.900 117.670 1.230 18356 260 1 1 . 1 1 47 47 GLN HA H 47 4.030 4.030 4.058 -0.028 18356 261 1 1 . 1 1 47 47 GLN C C 47 178.000 178.000 177.478 0.522 18356 262 1 1 . 1 1 47 47 GLN CA C 47 57.800 57.800 57.774 0.026 18356 263 1 1 . 1 1 47 47 GLN CB C 47 29.100 29.100 28.424 0.676 18356 264 1 1 . 1 1 47 47 GLN H H 47 7.830 7.830 7.602 0.228 18356 265 1 1 . 1 1 48 48 LEU N N 48 118.100 118.100 114.711 3.389 18356 266 1 1 . 1 1 48 48 LEU HA H 48 4.180 4.180 4.463 -0.283 18356 267 1 1 . 1 1 48 48 LEU C C 48 177.600 177.600 177.635 -0.035 18356 268 1 1 . 1 1 48 48 LEU CA C 48 56.300 56.300 56.282 0.018 18356 269 1 1 . 1 1 48 48 LEU CB C 48 43.100 43.100 41.698 1.402 18356 270 1 1 . 1 1 48 48 LEU H H 48 7.560 7.560 7.779 -0.219 18356 271 1 1 . 1 1 49 49 GLY N N 49 105.600 105.600 107.372 -1.772 18356 272 1 1 . 1 1 49 49 GLY C C 49 174.700 174.700 174.143 0.557 18356 273 1 1 . 1 1 49 49 GLY CA C 49 47.000 47.000 45.463 1.537 18356 274 1 1 . 1 1 49 49 GLY H H 49 7.570 7.570 7.953 -0.383 18356 275 1 1 . 1 1 50 50 ILE N N 50 117.700 117.700 121.876 -4.176 18356 276 1 1 . 1 1 50 50 ILE HA H 50 4.340 4.340 4.350 -0.010 18356 277 1 1 . 1 1 50 50 ILE C C 50 176.500 176.500 174.818 1.682 18356 278 1 1 . 1 1 50 50 ILE CA C 50 59.900 59.900 60.076 -0.176 18356 279 1 1 . 1 1 50 50 ILE CB C 50 38.900 38.900 41.329 -2.429 18356 280 1 1 . 1 1 50 50 ILE H H 50 7.940 7.940 8.229 -0.289 18356 281 1 1 . 1 1 51 51 THR N N 51 117.500 117.500 120.856 -3.356 18356 282 1 1 . 1 1 51 51 THR HA H 51 4.420 4.420 4.243 0.177 18356 283 1 1 . 1 1 51 51 THR C C 51 174.900 174.900 175.836 -0.936 18356 284 1 1 . 1 1 51 51 THR CA C 51 61.700 61.700 64.186 -2.486 18356 285 1 1 . 1 1 51 51 THR CB C 51 69.900 69.900 69.344 0.557 18356 286 1 1 . 1 1 51 51 THR H H 51 8.480 8.480 8.428 0.052 18356 287 1 1 . 1 1 52 52 GLY N N 52 111.200 111.200 110.632 0.568 18356 288 1 1 . 1 1 52 52 GLY C C 52 172.700 172.700 174.630 -1.930 18356 289 1 1 . 1 1 52 52 GLY CA C 52 44.600 44.600 45.951 -1.351 18356 290 1 1 . 1 1 52 52 GLY H H 52 8.080 8.080 8.563 -0.483 18356 291 1 1 . 1 1 53 53 ASP N N 53 120.800 120.800 120.389 0.411 18356 292 1 1 . 1 1 53 53 ASP HA H 53 4.660 4.660 4.642 0.018 18356 293 1 1 . 1 1 53 53 ASP C C 53 177.800 177.800 175.182 2.618 18356 294 1 1 . 1 1 53 53 ASP CA C 53 53.900 53.900 54.713 -0.813 18356 295 1 1 . 1 1 53 53 ASP CB C 53 42.700 42.700 40.383 2.317 18356 296 1 1 . 1 1 53 53 ASP H H 53 8.490 8.490 8.306 0.184 18356 297 1 1 . 1 1 54 54 ASP N N 54 124.100 124.100 123.286 0.814 18356 298 1 1 . 1 1 54 54 ASP HA H 54 4.630 4.630 4.466 0.164 18356 299 1 1 . 1 1 54 54 ASP C C 54 177.100 177.100 176.179 0.921 18356 300 1 1 . 1 1 54 54 ASP CA C 54 56.600 56.600 55.025 1.575 18356 301 1 1 . 1 1 54 54 ASP CB C 54 42.800 42.800 41.592 1.208 18356 302 1 1 . 1 1 54 54 ASP H H 54 8.500 8.500 8.575 -0.075 18356 303 1 1 . 1 1 55 55 TYR N N 55 114.900 114.900 119.593 -4.693 18356 304 1 1 . 1 1 55 55 TYR HA H 55 4.560 4.560 4.333 0.227 18356 305 1 1 . 1 1 55 55 TYR C C 55 178.900 178.900 176.701 2.199 18356 306 1 1 . 1 1 55 55 TYR CA C 55 62.400 62.400 60.062 2.337 18356 307 1 1 . 1 1 55 55 TYR CB C 55 37.300 37.300 37.098 0.202 18356 308 1 1 . 1 1 55 55 TYR H H 55 8.350 8.350 8.598 -0.248 18356 309 1 1 . 1 1 56 56 ASP N N 56 119.600 119.600 118.063 1.537 18356 310 1 1 . 1 1 56 56 ASP HA H 56 4.560 4.560 4.345 0.215 18356 311 1 1 . 1 1 56 56 ASP C C 56 177.300 177.300 177.472 -0.172 18356 312 1 1 . 1 1 56 56 ASP CA C 56 57.200 57.200 56.255 0.945 18356 313 1 1 . 1 1 56 56 ASP CB C 56 40.600 40.600 40.235 0.365 18356 314 1 1 . 1 1 56 56 ASP H H 56 8.320 8.320 7.874 0.446 18356 315 1 1 . 1 1 57 57 ASP N N 57 116.600 116.600 119.164 -2.564 18356 316 1 1 . 1 1 57 57 ASP HA H 57 4.940 4.940 4.579 0.361 18356 317 1 1 . 1 1 57 57 ASP C C 57 178.100 178.100 178.149 -0.049 18356 318 1 1 . 1 1 57 57 ASP CA C 57 52.400 52.400 55.559 -3.159 18356 319 1 1 . 1 1 57 57 ASP CB C 57 41.100 41.100 41.662 -0.562 18356 320 1 1 . 1 1 57 57 ASP H H 57 7.740 7.740 7.719 0.021 18356 321 1 1 . 1 1 58 58 SER N N 58 117.600 117.600 114.819 2.781 18356 322 1 1 . 1 1 58 58 SER HA H 58 4.800 4.800 4.483 0.317 18356 323 1 1 . 1 1 58 58 SER C C 58 174.600 174.600 175.260 -0.660 18356 324 1 1 . 1 1 58 58 SER CA C 58 60.200 60.200 59.300 0.900 18356 325 1 1 . 1 1 58 58 SER CB C 58 63.000 63.000 64.623 -1.623 18356 326 1 1 . 1 1 58 58 SER H H 58 8.130 8.130 7.972 0.158 18356 327 1 1 . 1 1 59 59 SER N N 59 105.400 105.400 114.915 -9.515 18356 328 1 1 . 1 1 59 59 SER HA H 59 4.580 4.580 4.449 0.131 18356 329 1 1 . 1 1 59 59 SER C C 59 173.200 173.200 174.020 -0.820 18356 330 1 1 . 1 1 59 59 SER CA C 59 60.500 60.500 59.928 0.572 18356 331 1 1 . 1 1 59 59 SER CB C 59 66.100 66.100 61.630 4.470 18356 332 1 1 . 1 1 59 59 SER H H 59 9.010 9.010 8.097 0.913 18356 333 1 1 . 1 1 60 60 LYS N N 60 123.100 123.100 118.081 5.019 18356 334 1 1 . 1 1 60 60 LYS HA H 60 4.080 4.080 4.641 -0.561 18356 335 1 1 . 1 1 60 60 LYS C C 60 176.500 176.500 177.155 -0.655 18356 336 1 1 . 1 1 60 60 LYS CA C 60 61.000 61.000 57.704 3.296 18356 337 1 1 . 1 1 60 60 LYS CB C 60 32.800 32.800 32.685 0.115 18356 338 1 1 . 1 1 60 60 LYS H H 60 7.450 7.450 7.801 -0.351 18356 339 1 1 . 1 1 61 61 ALA N N 61 120.700 120.700 123.567 -2.867 18356 340 1 1 . 1 1 61 61 ALA HA H 61 4.130 4.130 4.011 0.119 18356 341 1 1 . 1 1 61 61 ALA C C 61 181.800 181.800 178.666 3.134 18356 342 1 1 . 1 1 61 61 ALA CA C 61 55.500 55.500 55.244 0.256 18356 343 1 1 . 1 1 61 61 ALA CB C 61 17.900 17.900 18.467 -0.567 18356 344 1 1 . 1 1 61 61 ALA H H 61 8.800 8.800 7.808 0.992 18356 345 1 1 . 1 1 62 62 ALA N N 62 119.900 119.900 120.679 -0.779 18356 346 1 1 . 1 1 62 62 ALA HA H 62 4.040 4.040 3.795 0.245 18356 347 1 1 . 1 1 62 62 ALA C C 62 178.600 178.600 179.390 -0.790 18356 348 1 1 . 1 1 62 62 ALA CA C 62 55.400 55.400 54.728 0.672 18356 349 1 1 . 1 1 62 62 ALA CB C 62 19.700 19.700 18.228 1.472 18356 350 1 1 . 1 1 62 62 ALA H H 62 8.760 8.760 8.334 0.426 18356 351 1 1 . 1 1 63 63 PHE N N 63 120.400 120.400 116.423 3.977 18356 352 1 1 . 1 1 63 63 PHE HA H 63 3.660 3.660 4.289 -0.629 18356 353 1 1 . 1 1 63 63 PHE C C 63 177.300 177.300 178.168 -0.868 18356 354 1 1 . 1 1 63 63 PHE CA C 63 62.200 62.200 61.887 0.313 18356 355 1 1 . 1 1 63 63 PHE CB C 63 39.600 39.600 38.406 1.194 18356 356 1 1 . 1 1 63 63 PHE H H 63 9.380 9.380 7.891 1.489 18356 357 1 1 . 1 1 64 64 ASP N N 64 119.700 119.700 118.637 1.063 18356 358 1 1 . 1 1 64 64 ASP HA H 64 4.410 4.410 4.469 -0.059 18356 359 1 1 . 1 1 64 64 ASP C C 64 180.200 180.200 178.709 1.491 18356 360 1 1 . 1 1 64 64 ASP CA C 64 57.700 57.700 57.770 -0.070 18356 361 1 1 . 1 1 64 64 ASP CB C 64 39.600 39.600 40.529 -0.929 18356 362 1 1 . 1 1 64 64 ASP H H 64 9.180 9.180 7.897 1.283 18356 363 1 1 . 1 1 65 65 LYS N N 65 119.800 119.800 120.310 -0.510 18356 364 1 1 . 1 1 65 65 LYS HA H 65 4.080 4.080 4.093 -0.013 18356 365 1 1 . 1 1 65 65 LYS C C 65 179.100 179.100 178.162 0.938 18356 366 1 1 . 1 1 65 65 LYS CA C 65 59.600 59.600 58.736 0.864 18356 367 1 1 . 1 1 65 65 LYS CB C 65 32.500 32.500 32.001 0.499 18356 368 1 1 . 1 1 65 65 LYS H H 65 7.420 7.420 7.573 -0.153 18356 369 1 1 . 1 1 66 66 PHE N N 66 123.400 123.400 119.664 3.736 18356 370 1 1 . 1 1 66 66 PHE HA H 66 4.340 4.340 4.215 0.125 18356 371 1 1 . 1 1 66 66 PHE C C 66 175.900 175.900 177.878 -1.978 18356 372 1 1 . 1 1 66 66 PHE CA C 66 59.900 59.900 61.576 -1.676 18356 373 1 1 . 1 1 66 66 PHE CB C 66 38.300 38.300 38.890 -0.590 18356 374 1 1 . 1 1 66 66 PHE H H 66 8.000 8.000 8.526 -0.526 18356 375 1 1 . 1 1 67 67 VAL N N 67 120.200 120.200 118.074 2.126 18356 376 1 1 . 1 1 67 67 VAL HA H 67 2.600 2.600 3.872 -1.272 18356 377 1 1 . 1 1 67 67 VAL C C 67 177.700 177.700 177.129 0.571 18356 378 1 1 . 1 1 67 67 VAL CA C 67 67.100 67.100 64.843 2.257 18356 379 1 1 . 1 1 67 67 VAL CB C 67 31.700 31.700 31.720 -0.020 18356 380 1 1 . 1 1 67 67 VAL H H 67 8.500 8.500 7.895 0.605 18356 381 1 1 . 1 1 68 68 GLU N N 68 118.300 118.300 120.395 -2.095 18356 382 1 1 . 1 1 68 68 GLU HA H 68 3.800 3.800 4.075 -0.275 18356 383 1 1 . 1 1 68 68 GLU C C 68 178.800 178.800 178.488 0.312 18356 384 1 1 . 1 1 68 68 GLU CA C 68 59.500 59.500 59.112 0.388 18356 385 1 1 . 1 1 68 68 GLU CB C 68 29.400 29.400 29.305 0.095 18356 386 1 1 . 1 1 68 68 GLU H H 68 7.510 7.510 7.600 -0.090 18356 387 1 1 . 1 1 69 69 ASP N N 69 121.400 121.400 119.518 1.882 18356 388 1 1 . 1 1 69 69 ASP HA H 69 4.360 4.360 4.513 -0.153 18356 389 1 1 . 1 1 69 69 ASP C C 69 178.100 178.100 178.578 -0.478 18356 390 1 1 . 1 1 69 69 ASP CA C 69 56.500 56.500 56.727 -0.227 18356 391 1 1 . 1 1 69 69 ASP CB C 69 40.900 40.900 40.410 0.490 18356 392 1 1 . 1 1 69 69 ASP H H 69 7.750 7.750 7.660 0.090 18356 393 1 1 . 1 1 70 70 VAL N N 70 117.600 117.600 119.282 -1.682 18356 394 1 1 . 1 1 70 70 VAL HA H 70 3.050 3.050 3.554 -0.504 18356 395 1 1 . 1 1 70 70 VAL C C 70 179.900 179.900 177.549 2.351 18356 396 1 1 . 1 1 70 70 VAL CA C 70 67.500 67.500 65.981 1.518 18356 397 1 1 . 1 1 70 70 VAL CB C 70 32.400 32.400 30.606 1.794 18356 398 1 1 . 1 1 70 70 VAL H H 70 8.230 8.230 7.550 0.680 18356 399 1 1 . 1 1 71 71 LYS N N 71 120.900 120.900 120.002 0.898 18356 400 1 1 . 1 1 71 71 LYS HA H 71 3.450 3.450 3.964 -0.514 18356 401 1 1 . 1 1 71 71 LYS C C 71 177.700 177.700 178.652 -0.952 18356 402 1 1 . 1 1 71 71 LYS CA C 71 61.900 61.900 59.211 2.689 18356 403 1 1 . 1 1 71 71 LYS CB C 71 32.400 32.400 31.383 1.017 18356 404 1 1 . 1 1 71 71 LYS H H 71 8.900 8.900 7.747 1.153 18356 405 1 1 . 1 1 72 72 SER N N 72 114.200 114.200 116.432 -2.232 18356 406 1 1 . 1 1 72 72 SER HA H 72 4.340 4.340 4.138 0.202 18356 407 1 1 . 1 1 72 72 SER C C 72 178.300 178.300 176.003 2.297 18356 408 1 1 . 1 1 72 72 SER CA C 72 61.500 61.500 60.983 0.517 18356 409 1 1 . 1 1 72 72 SER CB C 72 63.000 63.000 62.870 0.130 18356 410 1 1 . 1 1 72 72 SER H H 72 8.000 8.000 8.349 -0.349 18356 411 1 1 . 1 1 73 73 ARG N N 73 119.700 119.700 118.677 1.023 18356 412 1 1 . 1 1 73 73 ARG HA H 73 4.160 4.160 4.046 0.114 18356 413 1 1 . 1 1 73 73 ARG C C 73 177.000 177.000 178.157 -1.157 18356 414 1 1 . 1 1 73 73 ARG CA C 73 58.700 58.700 58.872 -0.172 18356 415 1 1 . 1 1 73 73 ARG CB C 73 30.300 30.300 30.295 0.005 18356 416 1 1 . 1 1 73 73 ARG H H 73 8.430 8.430 7.891 0.539 18356 417 1 1 . 1 1 74 74 THR N N 74 103.500 103.500 110.144 -6.644 18356 418 1 1 . 1 1 74 74 THR HA H 74 4.210 4.210 4.330 -0.120 18356 419 1 1 . 1 1 74 74 THR C C 74 173.500 173.500 174.267 -0.767 18356 420 1 1 . 1 1 74 74 THR CA C 74 60.300 60.300 63.365 -3.065 18356 421 1 1 . 1 1 74 74 THR CB C 74 70.100 70.100 69.186 0.914 18356 422 1 1 . 1 1 74 74 THR H H 74 7.400 7.400 7.709 -0.309 18356 423 1 1 . 1 1 75 75 ASP N N 75 121.300 121.300 120.132 1.168 18356 424 1 1 . 1 1 75 75 ASP HA H 75 4.280 4.280 4.669 -0.389 18356 425 1 1 . 1 1 75 75 ASP C C 75 176.500 176.500 176.199 0.301 18356 426 1 1 . 1 1 75 75 ASP CA C 75 55.300 55.300 55.192 0.108 18356 427 1 1 . 1 1 75 75 ASP CB C 75 38.400 38.400 41.809 -3.409 18356 428 1 1 . 1 1 75 75 ASP H H 75 7.900 7.900 7.611 0.289 18356 429 1 1 . 1 1 76 76 ASN N N 76 116.400 116.400 117.467 -1.067 18356 430 1 1 . 1 1 76 76 ASN HA H 76 4.000 4.000 4.860 -0.860 18356 431 1 1 . 1 1 76 76 ASN C C 76 173.600 173.600 176.230 -2.630 18356 432 1 1 . 1 1 76 76 ASN CA C 76 54.000 54.000 52.775 1.225 18356 433 1 1 . 1 1 76 76 ASN CB C 76 36.600 36.600 39.419 -2.819 18356 434 1 1 . 1 1 76 76 ASN H H 76 9.070 9.070 7.629 1.441 18356 435 1 1 . 1 1 77 77 LEU N N 77 112.300 112.300 121.487 -9.187 18356 436 1 1 . 1 1 77 77 LEU HA H 77 3.670 3.670 4.294 -0.624 18356 437 1 1 . 1 1 77 77 LEU C C 77 175.200 175.200 176.864 -1.664 18356 438 1 1 . 1 1 77 77 LEU CA C 77 55.900 55.900 56.892 -0.992 18356 439 1 1 . 1 1 77 77 LEU CB C 77 37.900 37.900 41.806 -3.906 18356 440 1 1 . 1 1 77 77 LEU H H 77 7.840 7.840 8.277 -0.437 18356 441 1 1 . 1 1 78 78 THR N N 78 106.000 106.000 115.160 -9.160 18356 442 1 1 . 1 1 78 78 THR HA H 78 4.220 4.220 4.594 -0.374 18356 443 1 1 . 1 1 78 78 THR C C 78 172.200 172.200 172.715 -0.515 18356 444 1 1 . 1 1 78 78 THR CA C 78 60.600 60.600 62.133 -1.533 18356 445 1 1 . 1 1 78 78 THR CB C 78 69.300 69.300 69.626 -0.326 18356 446 1 1 . 1 1 78 78 THR H H 78 8.240 8.240 7.754 0.486 18356 447 1 1 . 1 1 79 79 ASP N N 79 118.600 118.600 122.243 -3.643 18356 448 1 1 . 1 1 79 79 ASP HA H 79 4.730 4.730 4.758 -0.028 18356 449 1 1 . 1 1 79 79 ASP C C 79 173.000 173.000 173.975 -0.975 18356 450 1 1 . 1 1 79 79 ASP CA C 79 51.500 51.500 53.184 -1.684 18356 451 1 1 . 1 1 79 79 ASP CB C 79 44.300 44.300 42.785 1.515 18356 452 1 1 . 1 1 79 79 ASP H H 79 7.490 7.490 7.897 -0.407 18356 453 1 1 . 1 1 80 80 CYS N N 80 115.900 115.900 116.767 -0.867 18356 454 1 1 . 1 1 80 80 CYS HA H 80 4.470 4.470 4.510 -0.040 18356 455 1 1 . 1 1 80 80 CYS C C 80 174.000 174.000 172.843 1.157 18356 456 1 1 . 1 1 80 80 CYS CA C 80 56.300 56.300 57.815 -1.515 18356 457 1 1 . 1 1 80 80 CYS CB C 80 29.500 29.500 31.525 -2.025 18356 458 1 1 . 1 1 80 80 CYS H H 80 8.480 8.480 8.267 0.213 18356 459 1 1 . 1 1 81 81 ARG N N 81 115.600 115.600 119.547 -3.947 18356 460 1 1 . 1 1 81 81 ARG HA H 81 4.680 4.680 5.070 -0.390 18356 461 1 1 . 1 1 81 81 ARG C C 81 175.500 175.500 174.175 1.325 18356 462 1 1 . 1 1 81 81 ARG CA C 81 54.200 54.200 53.893 0.307 18356 463 1 1 . 1 1 81 81 ARG CB C 81 39.000 39.000 34.078 4.923 18356 464 1 1 . 1 1 81 81 ARG H H 81 8.380 8.380 8.660 -0.280 18356 465 1 1 . 1 1 82 82 TYR N N 82 114.200 114.200 121.354 -7.154 18356 466 1 1 . 1 1 82 82 TYR HA H 82 5.780 5.780 5.072 0.708 18356 467 1 1 . 1 1 82 82 TYR C C 82 175.200 175.200 174.423 0.777 18356 468 1 1 . 1 1 82 82 TYR CA C 82 55.200 55.200 56.552 -1.352 18356 469 1 1 . 1 1 82 82 TYR CB C 82 42.200 42.200 42.606 -0.406 18356 470 1 1 . 1 1 82 82 TYR H H 82 8.170 8.170 9.272 -1.102 18356 471 1 1 . 1 1 83 83 ALA N N 83 121.300 121.300 125.284 -3.984 18356 472 1 1 . 1 1 83 83 ALA HA H 83 5.730 5.730 5.616 0.114 18356 473 1 1 . 1 1 83 83 ALA C C 83 175.900 175.900 175.420 0.480 18356 474 1 1 . 1 1 83 83 ALA CA C 83 52.000 52.000 50.157 1.843 18356 475 1 1 . 1 1 83 83 ALA CB C 83 24.300 24.300 22.361 1.939 18356 476 1 1 . 1 1 83 83 ALA H H 83 8.780 8.780 9.171 -0.391 18356 477 1 1 . 1 1 84 84 VAL N N 84 111.700 111.700 124.030 -12.330 18356 478 1 1 . 1 1 84 84 VAL HA H 84 6.180 6.180 5.426 0.754 18356 479 1 1 . 1 1 84 84 VAL C C 84 176.900 176.900 175.026 1.874 18356 480 1 1 . 1 1 84 84 VAL CA C 84 58.800 58.800 61.712 -2.912 18356 481 1 1 . 1 1 84 84 VAL CB C 84 35.600 35.600 34.308 1.292 18356 482 1 1 . 1 1 84 84 VAL H H 84 9.150 9.150 8.481 0.669 18356 483 1 1 . 1 1 85 85 PHE N N 85 121.600 121.600 121.943 -0.343 18356 484 1 1 . 1 1 85 85 PHE HA H 85 4.710 4.710 5.379 -0.669 18356 485 1 1 . 1 1 85 85 PHE C C 85 176.500 176.500 173.058 3.442 18356 486 1 1 . 1 1 85 85 PHE CA C 85 57.200 57.200 56.795 0.405 18356 487 1 1 . 1 1 85 85 PHE CB C 85 43.900 43.900 42.267 1.633 18356 488 1 1 . 1 1 85 85 PHE H H 85 8.780 8.780 8.563 0.217 18356 489 1 1 . 1 1 86 86 ASP N N 86 126.700 126.700 119.709 6.991 18356 490 1 1 . 1 1 86 86 ASP HA H 86 4.830 4.830 5.113 -0.283 18356 491 1 1 . 1 1 86 86 ASP C C 86 171.800 171.800 175.007 -3.207 18356 492 1 1 . 1 1 86 86 ASP CA C 86 54.300 54.300 53.252 1.048 18356 493 1 1 . 1 1 86 86 ASP CB C 86 40.300 40.300 43.091 -2.791 18356 494 1 1 . 1 1 86 86 ASP H H 86 7.490 7.490 9.010 -1.520 18356 495 1 1 . 1 1 87 87 PHE N N 87 135.000 135.000 122.996 12.004 18356 496 1 1 . 1 1 87 87 PHE HA H 87 3.980 3.980 4.857 -0.877 18356 497 1 1 . 1 1 87 87 PHE C C 87 173.600 173.600 174.367 -0.767 18356 498 1 1 . 1 1 87 87 PHE CA C 87 59.700 59.700 57.170 2.530 18356 499 1 1 . 1 1 87 87 PHE CB C 87 42.900 42.900 42.995 -0.095 18356 500 1 1 . 1 1 87 87 PHE H H 87 9.600 9.600 9.010 0.590 18356 501 1 1 . 1 1 88 88 LYS N N 88 127.700 127.700 128.955 -1.255 18356 502 1 1 . 1 1 88 88 LYS HA H 88 5.260 5.260 5.061 0.199 18356 503 1 1 . 1 1 88 88 LYS C C 88 176.200 176.200 175.228 0.972 18356 504 1 1 . 1 1 88 88 LYS CA C 88 55.500 55.500 55.704 -0.204 18356 505 1 1 . 1 1 88 88 LYS CB C 88 33.100 33.100 32.063 1.037 18356 506 1 1 . 1 1 88 88 LYS H H 88 7.550 7.550 8.461 -0.911 18356 507 1 1 . 1 1 89 89 PHE N N 89 119.700 119.700 123.380 -3.680 18356 508 1 1 . 1 1 89 89 PHE HA H 89 5.290 5.290 4.819 0.471 18356 509 1 1 . 1 1 89 89 PHE C C 89 172.100 172.100 174.090 -1.990 18356 510 1 1 . 1 1 89 89 PHE CA C 89 56.300 56.300 54.843 1.457 18356 511 1 1 . 1 1 89 89 PHE CB C 89 40.200 40.200 40.980 -0.780 18356 512 1 1 . 1 1 89 89 PHE H H 89 9.600 9.600 8.560 1.040 18356 513 1 1 . 1 1 90 90 THR N N 90 111.800 111.800 113.043 -1.243 18356 514 1 1 . 1 1 90 90 THR HA H 90 5.170 5.170 4.391 0.779 18356 515 1 1 . 1 1 90 90 THR C C 90 174.100 174.100 173.071 1.029 18356 516 1 1 . 1 1 90 90 THR CA C 90 60.500 60.500 60.893 -0.393 18356 517 1 1 . 1 1 90 90 THR CB C 90 71.200 71.200 69.750 1.450 18356 518 1 1 . 1 1 90 90 THR H H 90 8.170 8.170 8.477 -0.307 18356 519 1 1 . 1 1 91 91 CYS N N 91 121.300 121.300 123.860 -2.560 18356 520 1 1 . 1 1 91 91 CYS HA H 91 4.880 4.880 4.657 0.223 18356 521 1 1 . 1 1 91 91 CYS C C 91 173.600 173.600 174.163 -0.563 18356 522 1 1 . 1 1 91 91 CYS CA C 91 57.200 57.200 57.560 -0.360 18356 523 1 1 . 1 1 91 91 CYS CB C 91 30.300 30.300 31.099 -0.799 18356 524 1 1 . 1 1 91 91 CYS H H 91 8.810 8.810 8.396 0.414 18356 525 1 1 . 1 1 92 92 SER N N 92 120.800 120.800 119.285 1.515 18356 526 1 1 . 1 1 92 92 SER HA H 92 4.180 4.180 4.465 -0.285 18356 527 1 1 . 1 1 92 92 SER C C 92 173.600 173.600 174.588 -0.988 18356 528 1 1 . 1 1 92 92 SER CA C 92 58.300 58.300 58.448 -0.148 18356 529 1 1 . 1 1 92 92 SER CB C 92 64.000 64.000 63.755 0.245 18356 530 1 1 . 1 1 92 92 SER H H 92 8.960 8.960 8.356 0.604 18356 531 1 1 . 1 1 93 93 ARG N N 93 123.600 123.600 123.052 0.548 18356 532 1 1 . 1 1 93 93 ARG HA H 93 4.710 4.710 4.278 0.432 18356 533 1 1 . 1 1 93 93 ARG C C 93 176.300 176.300 174.762 1.538 18356 534 1 1 . 1 1 93 93 ARG CA C 93 54.800 54.800 56.147 -1.347 18356 535 1 1 . 1 1 93 93 ARG CB C 93 32.800 32.800 29.708 3.092 18356 536 1 1 . 1 1 93 93 ARG H H 93 8.140 8.140 8.462 -0.322 18356 537 1 1 . 1 1 94 94 VAL N N 94 124.700 124.700 125.532 -0.832 18356 538 1 1 . 1 1 94 94 VAL HA H 94 3.850 3.850 4.297 -0.447 18356 539 1 1 . 1 1 94 94 VAL C C 94 177.400 177.400 176.339 1.061 18356 540 1 1 . 1 1 94 94 VAL CA C 94 64.300 64.300 62.050 2.250 18356 541 1 1 . 1 1 94 94 VAL CB C 94 31.900 31.900 33.784 -1.884 18356 542 1 1 . 1 1 94 94 VAL H H 94 8.880 8.880 8.036 0.844 18356 543 1 1 . 1 1 95 95 GLY N N 95 115.100 115.100 117.834 -2.734 18356 544 1 1 . 1 1 95 95 GLY C C 95 174.100 174.100 173.233 0.867 18356 545 1 1 . 1 1 95 95 GLY CA C 95 45.800 45.800 45.834 -0.034 18356 546 1 1 . 1 1 95 95 GLY H H 95 8.900 8.900 8.746 0.154 18356 547 1 1 . 1 1 96 96 ALA N N 96 123.000 123.000 123.295 -0.295 18356 548 1 1 . 1 1 96 96 ALA HA H 96 4.520 4.520 4.724 -0.204 18356 549 1 1 . 1 1 96 96 ALA C C 96 177.500 177.500 177.092 0.408 18356 550 1 1 . 1 1 96 96 ALA CA C 96 52.100 52.100 50.886 1.214 18356 551 1 1 . 1 1 96 96 ALA CB C 96 20.300 20.300 21.027 -0.727 18356 552 1 1 . 1 1 96 96 ALA H H 96 8.070 8.070 7.442 0.628 18356 553 1 1 . 1 1 97 97 GLY N N 97 107.800 107.800 108.243 -0.443 18356 554 1 1 . 1 1 97 97 GLY C C 97 174.000 174.000 174.051 -0.051 18356 555 1 1 . 1 1 97 97 GLY CA C 97 45.300 45.300 44.700 0.600 18356 556 1 1 . 1 1 97 97 GLY H H 97 8.270 8.270 8.513 -0.243 18356 557 1 1 . 1 1 98 98 THR N N 98 115.600 115.600 119.143 -3.543 18356 558 1 1 . 1 1 98 98 THR HA H 98 4.720 4.720 4.062 0.658 18356 559 1 1 . 1 1 98 98 THR C C 98 174.300 174.300 173.608 0.692 18356 560 1 1 . 1 1 98 98 THR CA C 98 61.900 61.900 63.933 -2.033 18356 561 1 1 . 1 1 98 98 THR CB C 98 70.400 70.400 69.483 0.917 18356 562 1 1 . 1 1 98 98 THR H H 98 8.330 8.330 7.608 0.722 18356 563 1 1 . 1 1 99 99 SER N N 99 119.900 119.900 119.430 0.470 18356 564 1 1 . 1 1 99 99 SER HA H 99 4.660 4.660 4.958 -0.298 18356 565 1 1 . 1 1 99 99 SER C C 99 173.000 173.000 173.206 -0.206 18356 566 1 1 . 1 1 99 99 SER CA C 99 57.700 57.700 56.138 1.562 18356 567 1 1 . 1 1 99 99 SER CB C 99 65.300 65.300 66.615 -1.315 18356 568 1 1 . 1 1 99 99 SER H H 99 8.760 8.760 9.110 -0.350 18356 569 1 1 . 1 1 100 100 LYS N N 100 123.800 123.800 121.687 2.113 18356 570 1 1 . 1 1 100 100 LYS HA H 100 4.260 4.260 4.223 0.037 18356 571 1 1 . 1 1 100 100 LYS C C 100 175.600 175.600 175.950 -0.350 18356 572 1 1 . 1 1 100 100 LYS CA C 100 56.900 56.900 56.532 0.368 18356 573 1 1 . 1 1 100 100 LYS CB C 100 33.000 33.000 32.012 0.988 18356 574 1 1 . 1 1 100 100 LYS H H 100 8.280 8.280 8.336 -0.056 18356 575 1 1 . 1 1 101 101 MET N N 101 123.200 123.200 124.069 -0.869 18356 576 1 1 . 1 1 101 101 MET HA H 101 4.510 4.510 4.603 -0.092 18356 577 1 1 . 1 1 101 101 MET C C 101 172.700 172.700 174.541 -1.841 18356 578 1 1 . 1 1 101 101 MET CA C 101 54.600 54.600 54.696 -0.096 18356 579 1 1 . 1 1 101 101 MET CB C 101 35.900 35.900 37.725 -1.825 18356 580 1 1 . 1 1 101 101 MET H H 101 8.910 8.910 7.759 1.151 18356 581 1 1 . 1 1 102 102 ASP N N 102 119.000 119.000 121.276 -2.276 18356 582 1 1 . 1 1 102 102 ASP HA H 102 5.690 5.690 4.703 0.987 18356 583 1 1 . 1 1 102 102 ASP C C 102 175.600 175.600 174.873 0.727 18356 584 1 1 . 1 1 102 102 ASP CA C 102 52.500 52.500 53.940 -1.440 18356 585 1 1 . 1 1 102 102 ASP CB C 102 42.700 42.700 40.671 2.029 18356 586 1 1 . 1 1 102 102 ASP H H 102 8.030 8.030 8.561 -0.531 18356 587 1 1 . 1 1 103 103 LYS N N 103 122.100 122.100 123.794 -1.694 18356 588 1 1 . 1 1 103 103 LYS HA H 103 4.810 4.810 4.737 0.073 18356 589 1 1 . 1 1 103 103 LYS C C 103 174.400 174.400 175.187 -0.787 18356 590 1 1 . 1 1 103 103 LYS CA C 103 53.400 53.400 53.608 -0.208 18356 591 1 1 . 1 1 103 103 LYS CB C 103 36.500 36.500 34.768 1.732 18356 592 1 1 . 1 1 103 103 LYS H H 103 9.340 9.340 8.021 1.319 18356 593 1 1 . 1 1 104 104 ILE N N 104 123.500 123.500 126.178 -2.678 18356 594 1 1 . 1 1 104 104 ILE HA H 104 3.780 3.780 4.392 -0.612 18356 595 1 1 . 1 1 104 104 ILE C C 104 175.900 175.900 174.873 1.027 18356 596 1 1 . 1 1 104 104 ILE CA C 104 61.700 61.700 61.148 0.552 18356 597 1 1 . 1 1 104 104 ILE CB C 104 37.700 37.700 38.648 -0.948 18356 598 1 1 . 1 1 104 104 ILE H H 104 8.810 8.810 8.894 -0.084 18356 599 1 1 . 1 1 105 105 ILE N N 105 119.200 119.200 124.815 -5.615 18356 600 1 1 . 1 1 105 105 ILE HA H 105 5.310 5.310 4.650 0.660 18356 601 1 1 . 1 1 105 105 ILE C C 105 174.200 174.200 173.280 0.920 18356 602 1 1 . 1 1 105 105 ILE CA C 105 59.700 59.700 58.820 0.880 18356 603 1 1 . 1 1 105 105 ILE CB C 105 39.800 39.800 41.168 -1.368 18356 604 1 1 . 1 1 105 105 ILE H H 105 8.130 8.130 8.730 -0.600 18356 605 1 1 . 1 1 106 106 PHE N N 106 125.800 125.800 122.481 3.319 18356 606 1 1 . 1 1 106 106 PHE HA H 106 5.680 5.680 5.412 0.268 18356 607 1 1 . 1 1 106 106 PHE C C 106 173.500 173.500 173.110 0.390 18356 608 1 1 . 1 1 106 106 PHE CA C 106 56.000 56.000 55.165 0.835 18356 609 1 1 . 1 1 106 106 PHE CB C 106 43.000 43.000 42.699 0.301 18356 610 1 1 . 1 1 106 106 PHE H H 106 9.570 9.570 8.860 0.710 18356 611 1 1 . 1 1 107 107 LEU N N 107 125.900 125.900 123.634 2.266 18356 612 1 1 . 1 1 107 107 LEU HA H 107 5.300 5.300 4.497 0.803 18356 613 1 1 . 1 1 107 107 LEU C C 107 174.600 174.600 174.818 -0.218 18356 614 1 1 . 1 1 107 107 LEU CA C 107 53.300 53.300 51.916 1.384 18356 615 1 1 . 1 1 107 107 LEU CB C 107 44.400 44.400 44.156 0.244 18356 616 1 1 . 1 1 107 107 LEU H H 107 9.320 9.320 8.579 0.741 18356 617 1 1 . 1 1 108 108 GLN N N 108 124.800 124.800 121.605 3.195 18356 618 1 1 . 1 1 108 108 GLN HA H 108 4.670 4.670 4.474 0.196 18356 619 1 1 . 1 1 108 108 GLN C C 108 173.900 173.900 175.022 -1.122 18356 620 1 1 . 1 1 108 108 GLN CA C 108 55.500 55.500 54.514 0.986 18356 621 1 1 . 1 1 108 108 GLN CB C 108 30.200 30.200 29.329 0.871 18356 622 1 1 . 1 1 108 108 GLN H H 108 8.620 8.620 8.440 0.180 18356 623 1 1 . 1 1 109 109 ILE N N 109 128.400 128.400 126.244 2.156 18356 624 1 1 . 1 1 109 109 ILE HA H 109 4.340 4.340 4.108 0.232 18356 625 1 1 . 1 1 109 109 ILE C C 109 173.800 173.800 174.730 -0.930 18356 626 1 1 . 1 1 109 109 ILE CA C 109 61.500 61.500 59.470 2.030 18356 627 1 1 . 1 1 109 109 ILE CB C 109 37.600 37.600 35.988 1.612 18356 628 1 1 . 1 1 109 109 ILE H H 109 8.550 8.550 8.547 0.003 18356 629 1 1 . 1 1 110 110 CYS N N 110 125.800 125.800 126.619 -0.819 18356 630 1 1 . 1 1 110 110 CYS HA H 110 5.340 5.340 4.728 0.612 18356 631 1 1 . 1 1 110 110 CYS C C 110 171.200 171.200 172.568 -1.368 18356 632 1 1 . 1 1 110 110 CYS CA C 110 54.400 54.400 55.797 -1.397 18356 633 1 1 . 1 1 110 110 CYS CB C 110 29.400 29.400 30.539 -1.139 18356 634 1 1 . 1 1 110 110 CYS H H 110 8.330 8.330 8.301 0.029 18356 635 1 1 . 1 1 111 111 PRO HA H 111 4.470 4.470 4.480 -0.010 18356 636 1 1 . 1 1 111 111 PRO CA C 111 59.500 59.500 62.783 -3.283 18356 637 1 1 . 1 1 112 112 ASP N N 112 120.600 120.600 124.437 -3.837 18356 638 1 1 . 1 1 112 112 ASP HA H 112 4.260 4.260 4.510 -0.250 18356 639 1 1 . 1 1 112 112 ASP C C 112 177.400 177.400 177.434 -0.034 18356 640 1 1 . 1 1 112 112 ASP CA C 112 57.700 57.700 55.904 1.796 18356 641 1 1 . 1 1 112 112 ASP CB C 112 41.300 41.300 41.262 0.038 18356 642 1 1 . 1 1 112 112 ASP H H 112 8.390 8.390 8.831 -0.441 18356 643 1 1 . 1 1 113 113 GLY N N 113 103.400 103.400 108.581 -5.181 18356 644 1 1 . 1 1 113 113 GLY C C 113 174.500 174.500 173.442 1.058 18356 645 1 1 . 1 1 113 113 GLY CA C 113 45.500 45.500 44.927 0.573 18356 646 1 1 . 1 1 113 113 GLY H H 113 8.520 8.520 8.522 -0.002 18356 647 1 1 . 1 1 114 114 ALA N N 114 122.000 122.000 125.007 -3.007 18356 648 1 1 . 1 1 114 114 ALA HA H 114 4.360 4.360 4.604 -0.244 18356 649 1 1 . 1 1 114 114 ALA C C 114 176.200 176.200 175.829 0.371 18356 650 1 1 . 1 1 114 114 ALA CA C 114 51.000 51.000 51.080 -0.080 18356 651 1 1 . 1 1 114 114 ALA CB C 114 20.500 20.500 20.632 -0.132 18356 652 1 1 . 1 1 114 114 ALA H H 114 7.560 7.560 8.005 -0.445 18356 653 1 1 . 1 1 115 115 SER N N 115 115.900 115.900 116.041 -0.141 18356 654 1 1 . 1 1 115 115 SER HA H 115 4.400 4.400 4.395 0.005 18356 655 1 1 . 1 1 115 115 SER C C 115 175.600 175.600 175.889 -0.289 18356 656 1 1 . 1 1 115 115 SER CA C 115 57.700 57.700 58.921 -1.221 18356 657 1 1 . 1 1 115 115 SER CB C 115 64.400 64.400 63.481 0.919 18356 658 1 1 . 1 1 115 115 SER H H 115 8.620 8.620 8.546 0.074 18356 659 1 1 . 1 1 116 116 ILE N N 116 123.700 123.700 127.282 -3.582 18356 660 1 1 . 1 1 116 116 ILE HA H 116 4.740 4.740 3.837 0.903 18356 661 1 1 . 1 1 116 116 ILE C C 116 177.600 177.600 176.928 0.672 18356 662 1 1 . 1 1 116 116 ILE CA C 116 61.900 61.900 64.793 -2.893 18356 663 1 1 . 1 1 116 116 ILE CB C 116 37.800 37.800 38.189 -0.389 18356 664 1 1 . 1 1 116 116 ILE H H 116 8.810 8.810 8.612 0.198 18356 665 1 1 . 1 1 117 117 LYS N N 117 119.200 119.200 119.036 0.164 18356 666 1 1 . 1 1 117 117 LYS HA H 117 4.080 4.080 4.055 0.025 18356 667 1 1 . 1 1 117 117 LYS C C 117 179.400 179.400 178.737 0.663 18356 668 1 1 . 1 1 117 117 LYS CA C 117 59.600 59.600 59.041 0.559 18356 669 1 1 . 1 1 117 117 LYS CB C 117 32.700 32.700 31.080 1.620 18356 670 1 1 . 1 1 117 117 LYS H H 117 8.140 8.140 8.328 -0.188 18356 671 1 1 . 1 1 118 118 LYS N N 118 118.700 118.700 119.775 -1.075 18356 672 1 1 . 1 1 118 118 LYS HA H 118 4.290 4.290 3.936 0.354 18356 673 1 1 . 1 1 118 118 LYS C C 118 178.700 178.700 178.425 0.275 18356 674 1 1 . 1 1 118 118 LYS CA C 118 58.500 58.500 57.958 0.542 18356 675 1 1 . 1 1 118 118 LYS CB C 118 32.500 32.500 31.545 0.955 18356 676 1 1 . 1 1 118 118 LYS H H 118 7.570 7.570 7.491 0.079 18356 677 1 1 . 1 1 119 119 LYS N N 119 118.900 118.900 120.023 -1.123 18356 678 1 1 . 1 1 119 119 LYS HA H 119 4.340 4.340 4.406 -0.066 18356 679 1 1 . 1 1 119 119 LYS C C 119 179.600 179.600 179.043 0.557 18356 680 1 1 . 1 1 119 119 LYS CA C 119 61.300 61.300 58.726 2.574 18356 681 1 1 . 1 1 119 119 LYS CB C 119 32.300 32.300 31.904 0.397 18356 682 1 1 . 1 1 119 119 LYS H H 119 8.450 8.450 7.697 0.753 18356 683 1 1 . 1 1 120 120 MET N N 120 117.400 117.400 118.071 -0.671 18356 684 1 1 . 1 1 120 120 MET HA H 120 4.290 4.290 4.318 -0.028 18356 685 1 1 . 1 1 120 120 MET C C 120 179.500 179.500 178.445 1.055 18356 686 1 1 . 1 1 120 120 MET CA C 120 59.100 59.100 57.413 1.687 18356 687 1 1 . 1 1 120 120 MET CB C 120 32.400 32.400 31.746 0.654 18356 688 1 1 . 1 1 120 120 MET H H 120 8.420 8.420 7.635 0.785 18356 689 1 1 . 1 1 121 121 VAL N N 121 121.800 121.800 119.819 1.981 18356 690 1 1 . 1 1 121 121 VAL HA H 121 3.980 3.980 3.640 0.340 18356 691 1 1 . 1 1 121 121 VAL C C 121 179.200 179.200 178.607 0.593 18356 692 1 1 . 1 1 121 121 VAL CA C 121 66.200 66.200 66.330 -0.130 18356 693 1 1 . 1 1 121 121 VAL CB C 121 32.300 32.300 30.620 1.680 18356 694 1 1 . 1 1 121 121 VAL H H 121 8.000 8.000 7.409 0.591 18356 695 1 1 . 1 1 122 122 TYR N N 122 121.300 121.300 119.948 1.352 18356 696 1 1 . 1 1 122 122 TYR HA H 122 4.230 4.230 4.312 -0.082 18356 697 1 1 . 1 1 122 122 TYR C C 122 180.700 180.700 178.197 2.503 18356 698 1 1 . 1 1 122 122 TYR CA C 122 61.400 61.400 60.906 0.494 18356 699 1 1 . 1 1 122 122 TYR CB C 122 38.300 38.300 36.572 1.728 18356 700 1 1 . 1 1 122 122 TYR H H 122 8.610 8.610 8.550 0.060 18356 701 1 1 . 1 1 123 123 ALA N N 123 124.000 124.000 121.630 2.370 18356 702 1 1 . 1 1 123 123 ALA HA H 123 4.360 4.360 3.995 0.365 18356 703 1 1 . 1 1 123 123 ALA C C 123 180.800 180.800 179.236 1.564 18356 704 1 1 . 1 1 123 123 ALA CA C 123 55.800 55.800 55.444 0.356 18356 705 1 1 . 1 1 123 123 ALA CB C 123 18.200 18.200 18.171 0.029 18356 706 1 1 . 1 1 123 123 ALA H H 123 8.760 8.760 7.947 0.813 18356 707 1 1 . 1 1 124 124 SER N N 124 113.200 113.200 110.819 2.381 18356 708 1 1 . 1 1 124 124 SER HA H 124 4.340 4.340 4.428 -0.088 18356 709 1 1 . 1 1 124 124 SER C C 124 176.400 176.400 175.067 1.333 18356 710 1 1 . 1 1 124 124 SER CA C 124 61.500 61.500 59.278 2.223 18356 711 1 1 . 1 1 124 124 SER CB C 124 63.300 63.300 62.626 0.674 18356 712 1 1 . 1 1 124 124 SER H H 124 8.500 8.500 7.898 0.602 18356 713 1 1 . 1 1 125 125 SER N N 125 115.200 115.200 117.554 -2.354 18356 714 1 1 . 1 1 125 125 SER HA H 125 4.460 4.460 4.518 -0.058 18356 715 1 1 . 1 1 125 125 SER C C 125 173.100 173.100 175.116 -2.016 18356 716 1 1 . 1 1 125 125 SER CA C 125 59.400 59.400 61.066 -1.665 18356 717 1 1 . 1 1 125 125 SER CB C 125 63.400 63.400 63.925 -0.525 18356 718 1 1 . 1 1 125 125 SER H H 125 7.480 7.480 7.605 -0.125 18356 719 1 1 . 1 1 126 126 ALA N N 126 122.600 122.600 124.068 -1.468 18356 720 1 1 . 1 1 126 126 ALA HA H 126 3.780 3.780 3.765 0.015 18356 721 1 1 . 1 1 126 126 ALA C C 126 178.600 178.600 179.115 -0.515 18356 722 1 1 . 1 1 126 126 ALA CA C 126 54.900 54.900 54.875 0.025 18356 723 1 1 . 1 1 126 126 ALA CB C 126 18.700 18.700 18.235 0.465 18356 724 1 1 . 1 1 126 126 ALA H H 126 7.100 7.100 8.559 -1.459 18356 725 1 1 . 1 1 127 127 ALA N N 127 118.800 118.800 120.522 -1.722 18356 726 1 1 . 1 1 127 127 ALA HA H 127 3.860 3.860 3.915 -0.055 18356 727 1 1 . 1 1 127 127 ALA C C 127 179.700 179.700 178.912 0.788 18356 728 1 1 . 1 1 127 127 ALA CA C 127 55.200 55.200 55.094 0.106 18356 729 1 1 . 1 1 127 127 ALA CB C 127 17.700 17.700 18.450 -0.750 18356 730 1 1 . 1 1 127 127 ALA H H 127 8.480 8.480 8.061 0.419 18356 731 1 1 . 1 1 128 128 ALA N N 128 120.700 120.700 121.559 -0.859 18356 732 1 1 . 1 1 128 128 ALA HA H 128 3.990 3.990 3.947 0.043 18356 733 1 1 . 1 1 128 128 ALA C C 128 180.600 180.600 179.381 1.219 18356 734 1 1 . 1 1 128 128 ALA CA C 128 55.100 55.100 54.891 0.209 18356 735 1 1 . 1 1 128 128 ALA CB C 128 17.900 17.900 18.245 -0.345 18356 736 1 1 . 1 1 128 128 ALA H H 128 7.800 7.800 7.120 0.680 18356 737 1 1 . 1 1 129 129 ILE N N 129 114.900 114.900 119.626 -4.726 18356 738 1 1 . 1 1 129 129 ILE HA H 129 3.780 3.780 3.639 0.141 18356 739 1 1 . 1 1 129 129 ILE C C 129 176.100 176.100 177.070 -0.970 18356 740 1 1 . 1 1 129 129 ILE CA C 129 63.300 63.300 63.250 0.050 18356 741 1 1 . 1 1 129 129 ILE CB C 129 37.200 37.200 36.998 0.202 18356 742 1 1 . 1 1 129 129 ILE H H 129 7.180 7.180 7.450 -0.270 18356 743 1 1 . 1 1 130 130 LYS N N 130 122.400 122.400 119.739 2.661 18356 744 1 1 . 1 1 130 130 LYS HA H 130 3.870 3.870 3.327 0.543 18356 745 1 1 . 1 1 130 130 LYS C C 130 178.400 178.400 178.550 -0.150 18356 746 1 1 . 1 1 130 130 LYS CA C 130 61.100 61.100 59.608 1.492 18356 747 1 1 . 1 1 130 130 LYS CB C 130 31.500 31.500 32.008 -0.508 18356 748 1 1 . 1 1 130 130 LYS H H 130 7.870 7.870 7.974 -0.104 18356 749 1 1 . 1 1 131 131 THR N N 131 113.000 113.000 114.965 -1.965 18356 750 1 1 . 1 1 131 131 THR HA H 131 3.870 3.870 4.122 -0.252 18356 751 1 1 . 1 1 131 131 THR C C 131 176.300 176.300 176.894 -0.594 18356 752 1 1 . 1 1 131 131 THR CA C 131 65.900 65.900 65.877 0.023 18356 753 1 1 . 1 1 131 131 THR CB C 131 68.700 68.700 67.995 0.705 18356 754 1 1 . 1 1 131 131 THR H H 131 8.000 8.000 8.081 -0.081 18356 755 1 1 . 1 1 132 132 SER N N 132 117.300 117.300 116.683 0.617 18356 756 1 1 . 1 1 132 132 SER HA H 132 4.100 4.100 4.215 -0.115 18356 757 1 1 . 1 1 132 132 SER C C 132 174.900 174.900 175.761 -0.861 18356 758 1 1 . 1 1 132 132 SER CA C 132 61.900 61.900 61.230 0.670 18356 759 1 1 . 1 1 132 132 SER CB C 132 63.300 63.300 63.106 0.194 18356 760 1 1 . 1 1 132 132 SER H H 132 7.290 7.290 7.504 -0.214 18356 761 1 1 . 1 1 133 133 LEU N N 133 118.100 118.100 115.054 3.046 18356 762 1 1 . 1 1 133 133 LEU HA H 133 3.700 3.700 4.433 -0.733 18356 763 1 1 . 1 1 133 133 LEU C C 133 176.600 176.600 176.230 0.370 18356 764 1 1 . 1 1 133 133 LEU CA C 133 56.300 56.300 54.980 1.320 18356 765 1 1 . 1 1 133 133 LEU CB C 133 40.400 40.400 42.581 -2.182 18356 766 1 1 . 1 1 133 133 LEU H H 133 7.330 7.330 7.232 0.098 18356 767 1 1 . 1 1 134 134 GLY N N 134 105.600 105.600 105.326 0.274 18356 768 1 1 . 1 1 134 134 GLY C C 134 174.800 174.800 174.779 0.021 18356 769 1 1 . 1 1 134 134 GLY CA C 134 45.300 45.300 45.452 -0.152 18356 770 1 1 . 1 1 134 134 GLY H H 134 7.420 7.420 7.869 -0.449 18356 771 1 1 . 1 1 135 135 THR N N 135 116.600 116.600 118.808 -2.208 18356 772 1 1 . 1 1 135 135 THR HA H 135 3.870 3.870 4.010 -0.140 18356 773 1 1 . 1 1 135 135 THR C C 135 176.000 176.000 174.528 1.472 18356 774 1 1 . 1 1 135 135 THR CA C 135 63.900 63.900 65.199 -1.299 18356 775 1 1 . 1 1 135 135 THR CB C 135 68.600 68.600 69.128 -0.528 18356 776 1 1 . 1 1 135 135 THR H H 135 8.450 8.450 8.321 0.129 18356 777 1 1 . 1 1 136 136 GLY N N 136 109.300 109.300 105.994 3.306 18356 778 1 1 . 1 1 136 136 GLY C C 136 175.000 175.000 174.105 0.895 18356 779 1 1 . 1 1 136 136 GLY CA C 136 45.700 45.700 45.194 0.506 18356 780 1 1 . 1 1 136 136 GLY H H 136 8.720 8.720 8.307 0.413 18356 781 1 1 . 1 1 137 137 LYS N N 137 118.500 118.500 118.982 -0.482 18356 782 1 1 . 1 1 137 137 LYS HA H 137 4.500 4.500 4.338 0.162 18356 783 1 1 . 1 1 137 137 LYS C C 137 176.200 176.200 176.211 -0.011 18356 784 1 1 . 1 1 137 137 LYS CA C 137 56.300 56.300 56.324 -0.024 18356 785 1 1 . 1 1 137 137 LYS CB C 137 34.100 34.100 32.412 1.688 18356 786 1 1 . 1 1 137 137 LYS H H 137 8.110 8.110 8.225 -0.115 18356 787 1 1 . 1 1 138 138 ILE N N 138 111.400 111.400 114.643 -3.243 18356 788 1 1 . 1 1 138 138 ILE HA H 138 5.050 5.050 4.623 0.427 18356 789 1 1 . 1 1 138 138 ILE C C 138 174.700 174.700 174.707 -0.007 18356 790 1 1 . 1 1 138 138 ILE CA C 138 59.500 59.500 59.199 0.301 18356 791 1 1 . 1 1 138 138 ILE CB C 138 41.600 41.600 40.891 0.709 18356 792 1 1 . 1 1 138 138 ILE H H 138 7.270 7.270 7.157 0.113 18356 793 1 1 . 1 1 139 139 LEU N N 139 124.600 124.600 123.674 0.926 18356 794 1 1 . 1 1 139 139 LEU HA H 139 4.690 4.690 4.791 -0.101 18356 795 1 1 . 1 1 139 139 LEU C C 139 175.600 175.600 175.129 0.471 18356 796 1 1 . 1 1 139 139 LEU CA C 139 54.200 54.200 53.751 0.449 18356 797 1 1 . 1 1 139 139 LEU CB C 139 43.800 43.800 44.202 -0.402 18356 798 1 1 . 1 1 139 139 LEU H H 139 8.450 8.450 8.458 -0.008 18356 799 1 1 . 1 1 140 140 GLN N N 140 123.500 123.500 121.781 1.719 18356 800 1 1 . 1 1 140 140 GLN HA H 140 5.350 5.350 5.637 -0.287 18356 801 1 1 . 1 1 140 140 GLN C C 140 174.900 174.900 174.980 -0.080 18356 802 1 1 . 1 1 140 140 GLN CA C 140 55.800 55.800 53.642 2.158 18356 803 1 1 . 1 1 140 140 GLN CB C 140 30.900 30.900 31.912 -1.012 18356 804 1 1 . 1 1 140 140 GLN H H 140 8.590 8.590 8.367 0.223 18356 805 1 1 . 1 1 141 141 PHE N N 141 120.500 120.500 117.300 3.200 18356 806 1 1 . 1 1 141 141 PHE HA H 141 4.870 4.870 4.817 0.053 18356 807 1 1 . 1 1 141 141 PHE C C 141 174.700 174.700 172.907 1.793 18356 808 1 1 . 1 1 141 141 PHE CA C 141 57.300 57.300 56.703 0.597 18356 809 1 1 . 1 1 141 141 PHE CB C 141 42.800 42.800 41.207 1.593 18356 810 1 1 . 1 1 141 141 PHE H H 141 9.280 9.280 8.330 0.950 18356 811 1 1 . 1 1 142 142 GLN N N 142 123.700 123.700 123.353 0.347 18356 812 1 1 . 1 1 142 142 GLN HA H 142 4.880 4.880 4.918 -0.038 18356 813 1 1 . 1 1 142 142 GLN C C 142 174.900 174.900 174.971 -0.071 18356 814 1 1 . 1 1 142 142 GLN CA C 142 55.500 55.500 54.197 1.303 18356 815 1 1 . 1 1 142 142 GLN CB C 142 30.200 30.200 32.275 -2.075 18356 816 1 1 . 1 1 142 142 GLN H H 142 9.080 9.080 8.479 0.601 18356 817 1 1 . 1 1 143 143 VAL N N 143 120.900 120.900 121.592 -0.692 18356 818 1 1 . 1 1 143 143 VAL HA H 143 4.600 4.600 4.573 0.027 18356 819 1 1 . 1 1 143 143 VAL C C 143 174.800 174.800 174.577 0.223 18356 820 1 1 . 1 1 143 143 VAL CA C 143 60.900 60.900 60.336 0.564 18356 821 1 1 . 1 1 143 143 VAL CB C 143 35.700 35.700 33.435 2.265 18356 822 1 1 . 1 1 143 143 VAL H H 143 8.560 8.560 8.890 -0.330 18356 823 1 1 . 1 1 144 144 SER N N 144 120.500 120.500 120.143 0.357 18356 824 1 1 . 1 1 144 144 SER HA H 144 4.740 4.740 4.597 0.143 18356 825 1 1 . 1 1 144 144 SER C C 144 173.200 173.200 173.767 -0.567 18356 826 1 1 . 1 1 144 144 SER CA C 144 58.200 58.200 58.094 0.106 18356 827 1 1 . 1 1 144 144 SER CB C 144 65.600 65.600 63.774 1.826 18356 828 1 1 . 1 1 144 144 SER H H 144 9.640 9.640 8.874 0.766 18356 829 1 1 . 1 1 145 145 ASP N N 145 118.600 118.600 119.192 -0.592 18356 830 1 1 . 1 1 145 145 ASP HA H 145 4.700 4.700 4.821 -0.121 18356 831 1 1 . 1 1 145 145 ASP C C 145 175.500 175.500 175.931 -0.431 18356 832 1 1 . 1 1 145 145 ASP CA C 145 53.300 53.300 53.163 0.137 18356 833 1 1 . 1 1 145 145 ASP CB C 145 44.100 44.100 42.733 1.367 18356 834 1 1 . 1 1 145 145 ASP H H 145 7.760 7.760 7.599 0.161 18356 835 1 1 . 1 1 146 146 GLU N N 146 119.900 119.900 123.686 -3.786 18356 836 1 1 . 1 1 146 146 GLU HA H 146 3.780 3.780 4.172 -0.392 18356 837 1 1 . 1 1 146 146 GLU C C 146 177.800 177.800 177.634 0.166 18356 838 1 1 . 1 1 146 146 GLU CA C 146 59.700 59.700 58.850 0.850 18356 839 1 1 . 1 1 146 146 GLU CB C 146 29.800 29.800 29.863 -0.063 18356 840 1 1 . 1 1 146 146 GLU H H 146 8.950 8.950 8.778 0.172 18356 841 1 1 . 1 1 147 147 SER N N 147 116.700 116.700 115.390 1.310 18356 842 1 1 . 1 1 147 147 SER HA H 147 4.190 4.190 4.275 -0.085 18356 843 1 1 . 1 1 147 147 SER C C 147 176.600 176.600 175.861 0.739 18356 844 1 1 . 1 1 147 147 SER CA C 147 61.500 61.500 60.876 0.624 18356 845 1 1 . 1 1 147 147 SER CB C 147 60.100 60.100 62.819 -2.720 18356 846 1 1 . 1 1 147 147 SER H H 147 8.660 8.660 8.182 0.478 18356 847 1 1 . 1 1 148 148 GLU N N 148 120.300 120.300 120.424 -0.124 18356 848 1 1 . 1 1 148 148 GLU HA H 148 4.160 4.160 4.213 -0.053 18356 849 1 1 . 1 1 148 148 GLU C C 148 176.200 176.200 176.648 -0.448 18356 850 1 1 . 1 1 148 148 GLU CA C 148 57.600 57.600 57.229 0.371 18356 851 1 1 . 1 1 148 148 GLU CB C 148 30.900 30.900 28.745 2.155 18356 852 1 1 . 1 1 148 148 GLU H H 148 7.940 7.940 8.210 -0.270 18356 853 1 1 . 1 1 149 149 MET N N 149 116.000 116.000 117.210 -1.210 18356 854 1 1 . 1 1 149 149 MET HA H 149 4.530 4.530 4.498 0.032 18356 855 1 1 . 1 1 149 149 MET C C 149 173.000 173.000 175.951 -2.951 18356 856 1 1 . 1 1 149 149 MET CA C 149 53.400 53.400 55.275 -1.875 18356 857 1 1 . 1 1 149 149 MET CB C 149 32.900 32.900 32.847 0.053 18356 858 1 1 . 1 1 149 149 MET H H 149 7.500 7.500 7.372 0.128 18356 859 1 1 . 1 1 150 150 SER N N 150 112.400 112.400 116.033 -3.633 18356 860 1 1 . 1 1 150 150 SER HA H 150 4.710 4.710 4.418 0.292 18356 861 1 1 . 1 1 150 150 SER C C 150 174.100 174.100 175.088 -0.988 18356 862 1 1 . 1 1 150 150 SER CA C 150 56.900 56.900 58.272 -1.372 18356 863 1 1 . 1 1 150 150 SER CB C 150 65.300 65.300 64.182 1.118 18356 864 1 1 . 1 1 150 150 SER H H 150 7.100 7.100 7.464 -0.364 18356 865 1 1 . 1 1 151 151 HIS N N 151 125.700 125.700 122.950 2.750 18356 866 1 1 . 1 1 151 151 HIS HA H 151 4.670 4.670 4.035 0.635 18356 867 1 1 . 1 1 151 151 HIS C C 151 175.900 175.900 176.892 -0.992 18356 868 1 1 . 1 1 151 151 HIS CA C 151 62.300 62.300 58.655 3.645 18356 869 1 1 . 1 1 151 151 HIS CB C 151 31.900 31.900 29.067 2.833 18356 870 1 1 . 1 1 151 151 HIS H H 151 9.510 9.510 8.568 0.942 18356 871 1 1 . 1 1 152 152 LYS N N 152 115.700 115.700 121.037 -5.337 18356 872 1 1 . 1 1 152 152 LYS HA H 152 3.690 3.690 3.681 0.009 18356 873 1 1 . 1 1 152 152 LYS C C 152 178.700 178.700 178.687 0.013 18356 874 1 1 . 1 1 152 152 LYS CA C 152 59.200 59.200 59.159 0.041 18356 875 1 1 . 1 1 152 152 LYS CB C 152 32.700 32.700 31.217 1.483 18356 876 1 1 . 1 1 152 152 LYS H H 152 8.380 8.380 7.688 0.692 18356 877 1 1 . 1 1 153 153 GLU N N 153 117.400 117.400 118.923 -1.523 18356 878 1 1 . 1 1 153 153 GLU HA H 153 4.070 4.070 4.136 -0.066 18356 879 1 1 . 1 1 153 153 GLU C C 153 179.100 179.100 178.793 0.307 18356 880 1 1 . 1 1 153 153 GLU CA C 153 58.500 58.500 57.320 1.180 18356 881 1 1 . 1 1 153 153 GLU CB C 153 29.300 29.300 29.519 -0.219 18356 882 1 1 . 1 1 153 153 GLU H H 153 7.360 7.360 7.977 -0.617 18356 883 1 1 . 1 1 154 154 LEU N N 154 121.200 121.200 122.711 -1.511 18356 884 1 1 . 1 1 154 154 LEU HA H 154 3.530 3.530 3.691 -0.161 18356 885 1 1 . 1 1 154 154 LEU C C 154 178.300 178.300 178.351 -0.051 18356 886 1 1 . 1 1 154 154 LEU CA C 154 57.300 57.300 58.178 -0.878 18356 887 1 1 . 1 1 154 154 LEU CB C 154 40.500 40.500 41.926 -1.426 18356 888 1 1 . 1 1 154 154 LEU H H 154 7.730 7.730 7.369 0.361 18356 889 1 1 . 1 1 155 155 LEU N N 155 118.500 118.500 113.936 4.564 18356 890 1 1 . 1 1 155 155 LEU HA H 155 3.410 3.410 4.082 -0.672 18356 891 1 1 . 1 1 155 155 LEU C C 155 179.900 179.900 178.060 1.840 18356 892 1 1 . 1 1 155 155 LEU CA C 155 57.600 57.600 56.636 0.964 18356 893 1 1 . 1 1 155 155 LEU CB C 155 41.200 41.200 40.915 0.285 18356 894 1 1 . 1 1 155 155 LEU H H 155 8.350 8.350 7.580 0.770 18356 895 1 1 . 1 1 156 156 ASN N N 156 117.900 117.900 119.179 -1.279 18356 896 1 1 . 1 1 156 156 ASN HA H 156 4.360 4.360 4.380 -0.020 18356 897 1 1 . 1 1 156 156 ASN C C 156 178.000 178.000 177.247 0.753 18356 898 1 1 . 1 1 156 156 ASN CA C 156 56.300 56.300 56.623 -0.323 18356 899 1 1 . 1 1 156 156 ASN CB C 156 38.400 38.400 38.733 -0.333 18356 900 1 1 . 1 1 156 156 ASN H H 156 7.750 7.750 7.603 0.147 18356 901 1 1 . 1 1 157 157 LYS N N 157 119.800 119.800 119.480 0.320 18356 902 1 1 . 1 1 157 157 LYS HA H 157 4.080 4.080 3.949 0.131 18356 903 1 1 . 1 1 157 157 LYS C C 157 179.800 179.800 178.478 1.322 18356 904 1 1 . 1 1 157 157 LYS CA C 157 59.100 59.100 58.820 0.280 18356 905 1 1 . 1 1 157 157 LYS CB C 157 32.500 32.500 31.885 0.615 18356 906 1 1 . 1 1 157 157 LYS H H 157 7.770 7.770 7.675 0.095 18356 907 1 1 . 1 1 158 158 LEU N N 158 120.900 120.900 121.436 -0.536 18356 908 1 1 . 1 1 158 158 LEU HA H 158 3.950 3.950 3.953 -0.003 18356 909 1 1 . 1 1 158 158 LEU C C 158 179.000 179.000 178.567 0.433 18356 910 1 1 . 1 1 158 158 LEU CA C 158 57.800 57.800 57.578 0.222 18356 911 1 1 . 1 1 158 158 LEU CB C 158 41.200 41.200 41.282 -0.082 18356 912 1 1 . 1 1 158 158 LEU H H 158 8.200 8.200 7.373 0.827 18356 913 1 1 . 1 1 159 159 GLY N N 159 106.500 106.500 104.426 2.074 18356 914 1 1 . 1 1 159 159 GLY C C 159 176.300 176.300 175.242 1.058 18356 915 1 1 . 1 1 159 159 GLY CA C 159 46.900 46.900 46.957 -0.057 18356 916 1 1 . 1 1 159 159 GLY H H 159 8.290 8.290 7.914 0.376 18356 917 1 1 . 1 1 160 160 GLU N N 160 120.700 120.700 120.995 -0.295 18356 918 1 1 . 1 1 160 160 GLU HA H 160 4.070 4.070 4.163 -0.093 18356 919 1 1 . 1 1 160 160 GLU C C 160 177.800 177.800 178.316 -0.516 18356 920 1 1 . 1 1 160 160 GLU CA C 160 58.300 58.300 58.084 0.216 18356 921 1 1 . 1 1 160 160 GLU CB C 160 30.000 30.000 29.828 0.172 18356 922 1 1 . 1 1 160 160 GLU H H 160 7.850 7.850 7.530 0.320 18356 923 1 1 . 1 1 161 161 LYS N N 161 118.100 118.100 118.260 -0.160 18356 924 1 1 . 1 1 161 161 LYS HA H 161 4.070 4.070 4.121 -0.051 18356 925 1 1 . 1 1 161 161 LYS C C 161 177.600 177.600 179.068 -1.468 18356 926 1 1 . 1 1 161 161 LYS CA C 161 57.800 57.800 58.341 -0.541 18356 927 1 1 . 1 1 161 161 LYS CB C 161 33.200 33.200 32.743 0.457 18356 928 1 1 . 1 1 161 161 LYS H H 161 7.660 7.660 8.393 -0.733 18356 929 1 1 . 1 1 162 162 TYR N N 162 115.400 115.400 116.897 -1.497 18356 930 1 1 . 1 1 162 162 TYR HA H 162 4.750 4.750 4.552 0.198 18356 931 1 1 . 1 1 162 162 TYR C C 162 176.000 176.000 175.561 0.439 18356 932 1 1 . 1 1 162 162 TYR CA C 162 59.000 59.000 57.157 1.843 18356 933 1 1 . 1 1 162 162 TYR CB C 162 39.800 39.800 38.741 1.059 18356 934 1 1 . 1 1 162 162 TYR H H 162 8.090 8.090 7.651 0.439 18356 935 1 1 . 1 1 163 163 GLY N N 163 109.000 109.000 107.588 1.412 18356 936 1 1 . 1 1 163 163 GLY C C 163 173.500 173.500 173.566 -0.066 18356 937 1 1 . 1 1 163 163 GLY CA C 163 45.500 45.500 43.797 1.703 18356 938 1 1 . 1 1 163 163 GLY H H 163 8.090 8.090 7.722 0.368 18356 939 1 1 . 1 1 164 164 ASP N N 164 120.100 120.100 121.552 -1.452 18356 940 1 1 . 1 1 164 164 ASP HA H 164 4.640 4.640 4.451 0.189 18356 941 1 1 . 1 1 164 164 ASP C C 164 175.300 175.300 175.750 -0.450 18356 942 1 1 . 1 1 164 164 ASP CA C 164 54.600 54.600 53.537 1.063 18356 943 1 1 . 1 1 164 164 ASP CB C 164 41.700 41.700 41.027 0.673 18356 944 1 1 . 1 1 164 164 ASP H H 164 8.320 8.320 7.992 0.328 18356 945 1 2 . 1 1 2 2 SER N N 2 115.100 115.100 118.888 -3.788 18356 946 1 2 . 1 1 2 2 SER HA H 2 4.820 4.820 4.398 0.422 18356 947 1 2 . 1 1 2 2 SER CA C 2 62.300 62.300 59.826 2.474 18356 948 1 2 . 1 1 2 2 SER CB C 2 67.300 67.300 63.734 3.566 18356 949 1 2 . 1 1 2 2 SER H H 2 8.350 8.350 8.745 -0.395 18356 950 1 2 . 1 1 3 3 SER HA H 3 3.860 3.860 4.616 -0.756 18356 951 1 2 . 1 1 3 3 SER CA C 3 55.800 55.800 58.016 -2.216 18356 952 1 2 . 1 1 3 3 SER CB C 3 61.300 61.300 63.246 -1.946 18356 953 1 2 . 1 1 4 4 GLY N N 4 110.700 110.700 108.665 2.035 18356 954 1 2 . 1 1 4 4 GLY C C 4 173.400 173.400 174.882 -1.482 18356 955 1 2 . 1 1 4 4 GLY CA C 4 45.100 45.100 45.179 -0.079 18356 956 1 2 . 1 1 4 4 GLY H H 4 8.320 8.320 8.194 0.126 18356 957 1 2 . 1 1 5 5 VAL N N 5 119.400 119.400 119.977 -0.577 18356 958 1 2 . 1 1 5 5 VAL HA H 5 4.200 4.200 4.059 0.141 18356 959 1 2 . 1 1 5 5 VAL C C 5 175.300 175.300 174.971 0.329 18356 960 1 2 . 1 1 5 5 VAL CA C 5 61.700 61.700 62.819 -1.119 18356 961 1 2 . 1 1 5 5 VAL CB C 5 33.100 33.100 32.431 0.669 18356 962 1 2 . 1 1 5 5 VAL H H 5 7.810 7.810 7.550 0.260 18356 963 1 2 . 1 1 6 6 MET N N 6 124.000 124.000 126.606 -2.606 18356 964 1 2 . 1 1 6 6 MET HA H 6 4.650 4.650 4.804 -0.154 18356 965 1 2 . 1 1 6 6 MET C C 6 174.800 174.800 174.299 0.501 18356 966 1 2 . 1 1 6 6 MET CA C 6 54.200 54.200 54.526 -0.326 18356 967 1 2 . 1 1 6 6 MET CB C 6 36.000 36.000 36.695 -0.695 18356 968 1 2 . 1 1 6 6 MET H H 6 8.180 8.180 8.141 0.039 18356 969 1 2 . 1 1 7 7 VAL N N 7 122.400 122.400 118.961 3.439 18356 970 1 2 . 1 1 7 7 VAL HA H 7 4.090 4.090 4.241 -0.151 18356 971 1 2 . 1 1 7 7 VAL C C 7 175.500 175.500 174.868 0.632 18356 972 1 2 . 1 1 7 7 VAL CA C 7 62.300 62.300 60.903 1.397 18356 973 1 2 . 1 1 7 7 VAL CB C 7 32.500 32.500 32.127 0.373 18356 974 1 2 . 1 1 7 7 VAL H H 7 8.790 8.790 8.258 0.532 18356 975 1 2 . 1 1 8 8 ASP N N 8 131.400 131.400 127.607 3.793 18356 976 1 2 . 1 1 8 8 ASP HA H 8 4.710 4.710 4.921 -0.211 18356 977 1 2 . 1 1 8 8 ASP C C 8 175.800 175.800 176.158 -0.358 18356 978 1 2 . 1 1 8 8 ASP CA C 8 53.900 53.900 53.436 0.464 18356 979 1 2 . 1 1 8 8 ASP CB C 8 44.800 44.800 41.544 3.256 18356 980 1 2 . 1 1 8 8 ASP H H 8 8.800 8.800 8.571 0.229 18356 981 1 2 . 1 1 9 9 PRO HA H 9 4.480 4.480 4.215 0.265 18356 982 1 2 . 1 1 9 9 PRO CA C 9 63.000 63.000 65.344 -2.344 18356 983 1 2 . 1 1 10 10 ASP N N 10 116.700 116.700 117.085 -0.385 18356 984 1 2 . 1 1 10 10 ASP HA H 10 4.780 4.780 4.388 0.392 18356 985 1 2 . 1 1 10 10 ASP C C 10 179.100 179.100 178.634 0.466 18356 986 1 2 . 1 1 10 10 ASP CA C 10 56.200 56.200 57.623 -1.423 18356 987 1 2 . 1 1 10 10 ASP CB C 10 40.700 40.700 40.319 0.381 18356 988 1 2 . 1 1 10 10 ASP H H 10 9.060 9.060 8.582 0.478 18356 989 1 2 . 1 1 11 11 VAL N N 11 122.600 122.600 119.932 2.668 18356 990 1 2 . 1 1 11 11 VAL HA H 11 3.630 3.630 3.650 -0.020 18356 991 1 2 . 1 1 11 11 VAL C C 11 176.900 176.900 177.769 -0.869 18356 992 1 2 . 1 1 11 11 VAL CA C 11 67.400 67.400 66.779 0.621 18356 993 1 2 . 1 1 11 11 VAL CB C 11 31.100 31.100 31.454 -0.354 18356 994 1 2 . 1 1 11 11 VAL H H 11 8.510 8.510 8.013 0.497 18356 995 1 2 . 1 1 12 12 GLN N N 12 117.400 117.400 117.807 -0.407 18356 996 1 2 . 1 1 12 12 GLN HA H 12 4.030 4.030 4.124 -0.094 18356 997 1 2 . 1 1 12 12 GLN C C 12 178.800 178.800 178.618 0.182 18356 998 1 2 . 1 1 12 12 GLN CA C 12 59.800 59.800 58.952 0.848 18356 999 1 2 . 1 1 12 12 GLN CB C 12 29.000 29.000 28.645 0.355 18356 1000 1 2 . 1 1 12 12 GLN H H 12 7.740 7.740 7.773 -0.033 18356 1001 1 2 . 1 1 13 13 THR N N 13 113.600 113.600 116.884 -3.284 18356 1002 1 2 . 1 1 13 13 THR HA H 13 4.020 4.020 4.025 -0.005 18356 1003 1 2 . 1 1 13 13 THR C C 13 177.600 177.600 176.858 0.742 18356 1004 1 2 . 1 1 13 13 THR CA C 13 66.100 66.100 66.600 -0.500 18356 1005 1 2 . 1 1 13 13 THR CB C 13 68.400 68.400 68.640 -0.240 18356 1006 1 2 . 1 1 13 13 THR H H 13 7.910 7.910 8.124 -0.214 18356 1007 1 2 . 1 1 14 14 SER N N 14 118.100 118.100 117.844 0.256 18356 1008 1 2 . 1 1 14 14 SER HA H 14 4.330 4.330 4.523 -0.193 18356 1009 1 2 . 1 1 14 14 SER C C 14 175.900 175.900 176.192 -0.292 18356 1010 1 2 . 1 1 14 14 SER CA C 14 63.400 63.400 62.044 1.357 18356 1011 1 2 . 1 1 14 14 SER CB C 14 62.300 62.300 62.943 -0.643 18356 1012 1 2 . 1 1 14 14 SER H H 14 8.630 8.630 7.610 1.020 18356 1013 1 2 . 1 1 15 15 PHE N N 15 122.400 122.400 120.885 1.515 18356 1014 1 2 . 1 1 15 15 PHE HA H 15 4.260 4.260 4.369 -0.109 18356 1015 1 2 . 1 1 15 15 PHE C C 15 178.900 178.900 177.537 1.363 18356 1016 1 2 . 1 1 15 15 PHE CA C 15 62.200 62.200 59.375 2.825 18356 1017 1 2 . 1 1 15 15 PHE CB C 15 40.000 40.000 38.379 1.621 18356 1018 1 2 . 1 1 15 15 PHE H H 15 8.280 8.280 7.369 0.911 18356 1019 1 2 . 1 1 16 16 GLN N N 16 121.400 121.400 119.107 2.293 18356 1020 1 2 . 1 1 16 16 GLN HA H 16 3.970 3.970 4.077 -0.107 18356 1021 1 2 . 1 1 16 16 GLN C C 16 177.600 177.600 177.560 0.040 18356 1022 1 2 . 1 1 16 16 GLN CA C 16 59.400 59.400 59.118 0.282 18356 1023 1 2 . 1 1 16 16 GLN CB C 16 28.100 28.100 27.944 0.156 18356 1024 1 2 . 1 1 16 16 GLN H H 16 8.600 8.600 8.543 0.057 18356 1025 1 2 . 1 1 17 17 LYS N N 17 117.000 117.000 117.608 -0.608 18356 1026 1 2 . 1 1 17 17 LYS HA H 17 4.180 4.180 4.514 -0.334 18356 1027 1 2 . 1 1 17 17 LYS C C 17 175.200 175.200 178.304 -3.104 18356 1028 1 2 . 1 1 17 17 LYS CA C 17 58.800 58.800 57.981 0.819 18356 1029 1 2 . 1 1 17 17 LYS CB C 17 33.300 33.300 32.484 0.816 18356 1030 1 2 . 1 1 17 17 LYS H H 17 7.440 7.440 7.502 -0.062 18356 1031 1 2 . 1 1 18 18 LEU N N 18 118.900 118.900 123.549 -4.649 18356 1032 1 2 . 1 1 18 18 LEU HA H 18 4.440 4.440 4.464 -0.024 18356 1033 1 2 . 1 1 18 18 LEU C C 18 173.600 173.600 178.420 -4.820 18356 1034 1 2 . 1 1 18 18 LEU CA C 18 57.200 57.200 57.722 -0.522 18356 1035 1 2 . 1 1 18 18 LEU CB C 18 44.200 44.200 42.244 1.956 18356 1036 1 2 . 1 1 18 18 LEU H H 18 7.510 7.510 8.127 -0.617 18356 1037 1 2 . 1 1 19 19 SER N N 19 110.200 110.200 113.544 -3.344 18356 1038 1 2 . 1 1 19 19 SER HA H 19 3.980 3.980 4.238 -0.258 18356 1039 1 2 . 1 1 19 19 SER C C 19 174.400 174.400 176.999 -2.599 18356 1040 1 2 . 1 1 19 19 SER CA C 19 59.500 59.500 61.762 -2.262 18356 1041 1 2 . 1 1 19 19 SER CB C 19 65.200 65.200 62.870 2.330 18356 1042 1 2 . 1 1 19 19 SER H H 19 7.860 7.860 8.503 -0.643 18356 1043 1 2 . 1 1 20 20 GLU N N 20 120.500 120.500 119.449 1.051 18356 1044 1 2 . 1 1 20 20 GLU HA H 20 4.530 4.530 4.451 0.079 18356 1045 1 2 . 1 1 20 20 GLU C C 20 176.100 176.100 177.240 -1.140 18356 1046 1 2 . 1 1 20 20 GLU CA C 20 55.400 55.400 56.346 -0.946 18356 1047 1 2 . 1 1 20 20 GLU CB C 20 31.700 31.700 30.476 1.224 18356 1048 1 2 . 1 1 20 20 GLU H H 20 7.990 7.990 7.648 0.342 18356 1049 1 2 . 1 1 21 21 GLY N N 21 107.000 107.000 108.682 -1.682 18356 1050 1 2 . 1 1 21 21 GLY C C 21 175.400 175.400 173.051 2.349 18356 1051 1 2 . 1 1 21 21 GLY CA C 21 46.800 46.800 44.757 2.043 18356 1052 1 2 . 1 1 21 21 GLY H H 21 8.480 8.480 8.072 0.408 18356 1053 1 2 . 1 1 22 22 ARG N N 22 124.100 124.100 120.506 3.594 18356 1054 1 2 . 1 1 22 22 ARG HA H 22 4.130 4.130 4.821 -0.691 18356 1055 1 2 . 1 1 22 22 ARG C C 22 175.900 175.900 176.717 -0.817 18356 1056 1 2 . 1 1 22 22 ARG CA C 22 56.900 56.900 54.913 1.987 18356 1057 1 2 . 1 1 22 22 ARG CB C 22 29.900 29.900 29.938 -0.038 18356 1058 1 2 . 1 1 22 22 ARG H H 22 8.680 8.680 8.724 -0.044 18356 1059 1 2 . 1 1 23 23 LYS N N 23 117.800 117.800 118.447 -0.647 18356 1060 1 2 . 1 1 23 23 LYS HA H 23 3.950 3.950 4.322 -0.372 18356 1061 1 2 . 1 1 23 23 LYS C C 23 176.200 176.200 177.389 -1.189 18356 1062 1 2 . 1 1 23 23 LYS CA C 23 57.200 57.200 58.110 -0.910 18356 1063 1 2 . 1 1 23 23 LYS CB C 23 29.900 29.900 32.534 -2.634 18356 1064 1 2 . 1 1 23 23 LYS H H 23 8.130 8.130 8.256 -0.126 18356 1065 1 2 . 1 1 24 24 GLU N N 24 117.900 117.900 118.333 -0.433 18356 1066 1 2 . 1 1 24 24 GLU HA H 24 3.910 3.910 4.121 -0.211 18356 1067 1 2 . 1 1 24 24 GLU C C 24 177.500 177.500 175.680 1.820 18356 1068 1 2 . 1 1 24 24 GLU CA C 24 58.500 58.500 57.051 1.449 18356 1069 1 2 . 1 1 24 24 GLU CB C 24 30.900 30.900 29.816 1.084 18356 1070 1 2 . 1 1 24 24 GLU H H 24 8.170 8.170 8.703 -0.533 18356 1071 1 2 . 1 1 25 25 TYR N N 25 113.100 113.100 117.518 -4.418 18356 1072 1 2 . 1 1 25 25 TYR HA H 25 4.530 4.530 4.733 -0.203 18356 1073 1 2 . 1 1 25 25 TYR C C 25 173.600 173.600 175.224 -1.624 18356 1074 1 2 . 1 1 25 25 TYR CA C 25 55.300 55.300 57.102 -1.802 18356 1075 1 2 . 1 1 25 25 TYR CB C 25 40.200 40.200 41.245 -1.045 18356 1076 1 2 . 1 1 25 25 TYR H H 25 6.950 6.950 7.813 -0.863 18356 1077 1 2 . 1 1 26 26 ARG N N 26 120.500 120.500 123.071 -2.571 18356 1078 1 2 . 1 1 26 26 ARG HA H 26 4.660 4.660 4.513 0.147 18356 1079 1 2 . 1 1 26 26 ARG C C 26 174.600 174.600 175.342 -0.742 18356 1080 1 2 . 1 1 26 26 ARG CA C 26 54.000 54.000 57.389 -3.389 18356 1081 1 2 . 1 1 26 26 ARG CB C 26 31.500 31.500 31.941 -0.441 18356 1082 1 2 . 1 1 26 26 ARG H H 26 9.450 9.450 8.877 0.573 18356 1083 1 2 . 1 1 27 27 TYR N N 27 109.700 109.700 113.625 -3.925 18356 1084 1 2 . 1 1 27 27 TYR HA H 27 4.930 4.930 5.283 -0.353 18356 1085 1 2 . 1 1 27 27 TYR C C 27 172.700 172.700 173.908 -1.208 18356 1086 1 2 . 1 1 27 27 TYR CA C 27 56.200 56.200 56.363 -0.163 18356 1087 1 2 . 1 1 27 27 TYR CB C 27 40.800 40.800 40.811 -0.011 18356 1088 1 2 . 1 1 27 27 TYR H H 27 7.450 7.450 7.579 -0.129 18356 1089 1 2 . 1 1 28 28 ILE N N 28 117.400 117.400 122.905 -5.505 18356 1090 1 2 . 1 1 28 28 ILE HA H 28 4.780 4.780 4.328 0.452 18356 1091 1 2 . 1 1 28 28 ILE C C 28 174.400 174.400 173.814 0.586 18356 1092 1 2 . 1 1 28 28 ILE CA C 28 60.200 60.200 59.581 0.619 18356 1093 1 2 . 1 1 28 28 ILE CB C 28 43.300 43.300 42.310 0.990 18356 1094 1 2 . 1 1 28 28 ILE H H 28 8.750 8.750 9.032 -0.282 18356 1095 1 2 . 1 1 29 29 ILE N N 29 125.100 125.100 123.821 1.279 18356 1096 1 2 . 1 1 29 29 ILE HA H 29 4.670 4.670 5.465 -0.795 18356 1097 1 2 . 1 1 29 29 ILE C C 29 174.600 174.600 173.661 0.939 18356 1098 1 2 . 1 1 29 29 ILE CA C 29 60.800 60.800 59.408 1.392 18356 1099 1 2 . 1 1 29 29 ILE CB C 29 40.500 40.500 41.080 -0.579 18356 1100 1 2 . 1 1 29 29 ILE H H 29 9.180 9.180 8.234 0.946 18356 1101 1 2 . 1 1 30 30 PHE N N 30 126.100 126.100 124.668 1.432 18356 1102 1 2 . 1 1 30 30 PHE HA H 30 5.760 5.760 5.719 0.041 18356 1103 1 2 . 1 1 30 30 PHE C C 30 174.100 174.100 174.674 -0.574 18356 1104 1 2 . 1 1 30 30 PHE CA C 30 55.900 55.900 56.493 -0.593 18356 1105 1 2 . 1 1 30 30 PHE CB C 30 42.300 42.300 43.764 -1.464 18356 1106 1 2 . 1 1 30 30 PHE H H 30 9.650 9.650 9.394 0.256 18356 1107 1 2 . 1 1 31 31 LYS N N 31 118.900 118.900 119.184 -0.284 18356 1108 1 2 . 1 1 31 31 LYS HA H 31 5.320 5.320 5.391 -0.071 18356 1109 1 2 . 1 1 31 31 LYS C C 31 173.000 173.000 174.573 -1.573 18356 1110 1 2 . 1 1 31 31 LYS CA C 31 53.800 53.800 54.677 -0.877 18356 1111 1 2 . 1 1 31 31 LYS CB C 31 38.100 38.100 37.360 0.740 18356 1112 1 2 . 1 1 31 31 LYS H H 31 8.990 8.990 9.472 -0.482 18356 1113 1 2 . 1 1 32 32 ILE N N 32 120.500 120.500 123.936 -3.436 18356 1114 1 2 . 1 1 32 32 ILE HA H 32 4.780 4.780 4.921 -0.141 18356 1115 1 2 . 1 1 32 32 ILE C C 32 175.200 175.200 174.327 0.873 18356 1116 1 2 . 1 1 32 32 ILE CA C 32 60.700 60.700 59.887 0.813 18356 1117 1 2 . 1 1 32 32 ILE CB C 32 41.300 41.300 39.567 1.733 18356 1118 1 2 . 1 1 32 32 ILE H H 32 8.420 8.420 8.360 0.060 18356 1119 1 2 . 1 1 33 33 ASP N N 33 130.100 130.100 128.988 1.112 18356 1120 1 2 . 1 1 33 33 ASP HA H 33 4.880 4.880 4.831 0.049 18356 1121 1 2 . 1 1 33 33 ASP C C 33 175.300 175.300 176.677 -1.377 18356 1122 1 2 . 1 1 33 33 ASP CA C 33 53.500 53.500 52.670 0.830 18356 1123 1 2 . 1 1 33 33 ASP CB C 33 44.500 44.500 43.865 0.635 18356 1124 1 2 . 1 1 33 33 ASP H H 33 9.270 9.270 8.025 1.245 18356 1125 1 2 . 1 1 34 34 GLU N N 34 123.600 123.600 122.646 0.954 18356 1126 1 2 . 1 1 34 34 GLU HA H 34 3.730 3.730 4.228 -0.498 18356 1127 1 2 . 1 1 34 34 GLU C C 34 175.000 175.000 177.659 -2.659 18356 1128 1 2 . 1 1 34 34 GLU CA C 34 58.200 58.200 58.339 -0.139 18356 1129 1 2 . 1 1 34 34 GLU CB C 34 27.500 27.500 29.668 -2.168 18356 1130 1 2 . 1 1 34 34 GLU H H 34 9.040 9.040 8.974 0.066 18356 1131 1 2 . 1 1 35 35 ASN N N 35 114.200 114.200 117.816 -3.616 18356 1132 1 2 . 1 1 35 35 ASN HA H 35 4.380 4.380 4.615 -0.235 18356 1133 1 2 . 1 1 35 35 ASN C C 35 173.500 173.500 175.431 -1.931 18356 1134 1 2 . 1 1 35 35 ASN CA C 35 53.700 53.700 54.691 -0.991 18356 1135 1 2 . 1 1 35 35 ASN CB C 35 38.500 38.500 39.310 -0.810 18356 1136 1 2 . 1 1 35 35 ASN H H 35 8.570 8.570 8.289 0.281 18356 1137 1 2 . 1 1 36 36 LYS N N 36 118.400 118.400 118.994 -0.594 18356 1138 1 2 . 1 1 36 36 LYS HA H 36 5.340 5.340 4.591 0.749 18356 1139 1 2 . 1 1 36 36 LYS C C 36 174.900 174.900 174.674 0.226 18356 1140 1 2 . 1 1 36 36 LYS CA C 36 54.500 54.500 54.990 -0.490 18356 1141 1 2 . 1 1 36 36 LYS CB C 36 36.100 36.100 34.192 1.908 18356 1142 1 2 . 1 1 36 36 LYS H H 36 7.750 7.750 7.524 0.226 18356 1143 1 2 . 1 1 37 37 VAL N N 37 122.900 122.900 125.948 -3.048 18356 1144 1 2 . 1 1 37 37 VAL HA H 37 4.550 4.550 4.139 0.411 18356 1145 1 2 . 1 1 37 37 VAL C C 37 174.600 174.600 175.017 -0.417 18356 1146 1 2 . 1 1 37 37 VAL CA C 37 62.000 62.000 63.006 -1.006 18356 1147 1 2 . 1 1 37 37 VAL CB C 37 32.300 32.300 30.304 1.996 18356 1148 1 2 . 1 1 37 37 VAL H H 37 8.790 8.790 8.699 0.091 18356 1149 1 2 . 1 1 38 38 ILE N N 38 119.600 119.600 123.471 -3.871 18356 1150 1 2 . 1 1 38 38 ILE HA H 38 4.880 4.880 4.478 0.402 18356 1151 1 2 . 1 1 38 38 ILE C C 38 176.200 176.200 175.098 1.102 18356 1152 1 2 . 1 1 38 38 ILE CA C 38 59.300 59.300 59.324 -0.024 18356 1153 1 2 . 1 1 38 38 ILE CB C 38 42.800 42.800 43.240 -0.440 18356 1154 1 2 . 1 1 38 38 ILE H H 38 9.230 9.230 8.203 1.027 18356 1155 1 2 . 1 1 39 39 VAL N N 39 121.300 121.300 125.924 -4.624 18356 1156 1 2 . 1 1 39 39 VAL HA H 39 3.850 3.850 4.382 -0.532 18356 1157 1 2 . 1 1 39 39 VAL C C 39 175.300 175.300 175.786 -0.486 18356 1158 1 2 . 1 1 39 39 VAL CA C 39 63.900 63.900 62.600 1.300 18356 1159 1 2 . 1 1 39 39 VAL CB C 39 32.100 32.100 29.952 2.148 18356 1160 1 2 . 1 1 39 39 VAL H H 39 9.070 9.070 8.438 0.632 18356 1161 1 2 . 1 1 40 40 GLU N N 40 131.200 131.200 128.043 3.157 18356 1162 1 2 . 1 1 40 40 GLU HA H 40 4.270 4.270 4.661 -0.391 18356 1163 1 2 . 1 1 40 40 GLU C C 40 176.000 176.000 175.042 0.958 18356 1164 1 2 . 1 1 40 40 GLU CA C 40 57.200 57.200 54.013 3.187 18356 1165 1 2 . 1 1 40 40 GLU CB C 40 32.300 32.300 33.648 -1.349 18356 1166 1 2 . 1 1 40 40 GLU H H 40 9.230 9.230 9.263 -0.033 18356 1167 1 2 . 1 1 41 41 ALA N N 41 118.100 118.100 124.381 -6.281 18356 1168 1 2 . 1 1 41 41 ALA HA H 41 4.440 4.440 4.312 0.128 18356 1169 1 2 . 1 1 41 41 ALA C C 41 173.300 173.300 176.007 -2.707 18356 1170 1 2 . 1 1 41 41 ALA CA C 41 52.000 52.000 51.062 0.938 18356 1171 1 2 . 1 1 41 41 ALA CB C 41 21.800 21.800 19.740 2.060 18356 1172 1 2 . 1 1 41 41 ALA H H 41 7.670 7.670 8.425 -0.755 18356 1173 1 2 . 1 1 42 42 ALA N N 42 127.600 127.600 127.090 0.510 18356 1174 1 2 . 1 1 42 42 ALA HA H 42 4.520 4.520 4.747 -0.227 18356 1175 1 2 . 1 1 42 42 ALA C C 42 174.900 174.900 175.231 -0.331 18356 1176 1 2 . 1 1 42 42 ALA CA C 42 51.700 51.700 50.975 0.725 18356 1177 1 2 . 1 1 42 42 ALA CB C 42 19.100 19.100 22.165 -3.065 18356 1178 1 2 . 1 1 42 42 ALA H H 42 8.480 8.480 8.391 0.089 18356 1179 1 2 . 1 1 43 43 VAL N N 43 124.900 124.900 121.021 3.879 18356 1180 1 2 . 1 1 43 43 VAL HA H 43 4.350 4.350 4.375 -0.025 18356 1181 1 2 . 1 1 43 43 VAL C C 43 176.100 176.100 175.953 0.147 18356 1182 1 2 . 1 1 43 43 VAL CA C 43 62.100 62.100 61.521 0.579 18356 1183 1 2 . 1 1 43 43 VAL CB C 43 34.300 34.300 33.204 1.096 18356 1184 1 2 . 1 1 43 43 VAL H H 43 7.820 7.820 8.383 -0.563 18356 1185 1 2 . 1 1 44 44 THR N N 44 119.400 119.400 118.968 0.432 18356 1186 1 2 . 1 1 44 44 THR HA H 44 4.800 4.800 4.581 0.219 18356 1187 1 2 . 1 1 44 44 THR C C 44 174.300 174.300 176.063 -1.763 18356 1188 1 2 . 1 1 44 44 THR CA C 44 60.300 60.300 59.943 0.357 18356 1189 1 2 . 1 1 44 44 THR CB C 44 71.200 71.200 70.233 0.967 18356 1190 1 2 . 1 1 44 44 THR H H 44 8.670 8.670 8.361 0.309 18356 1191 1 2 . 1 1 45 45 GLN N N 45 119.800 119.800 118.764 1.036 18356 1192 1 2 . 1 1 45 45 GLN HA H 45 4.010 4.010 4.029 -0.019 18356 1193 1 2 . 1 1 45 45 GLN C C 45 179.600 179.600 177.458 2.142 18356 1194 1 2 . 1 1 45 45 GLN CA C 45 59.000 59.000 59.135 -0.135 18356 1195 1 2 . 1 1 45 45 GLN CB C 45 27.600 27.600 27.873 -0.273 18356 1196 1 2 . 1 1 45 45 GLN H H 45 8.660 8.660 8.941 -0.281 18356 1197 1 2 . 1 1 46 46 ASP N N 46 117.300 117.300 119.273 -1.973 18356 1198 1 2 . 1 1 46 46 ASP HA H 46 4.390 4.390 4.155 0.235 18356 1199 1 2 . 1 1 46 46 ASP C C 46 178.900 178.900 177.489 1.411 18356 1200 1 2 . 1 1 46 46 ASP CA C 46 57.100 57.100 57.130 -0.030 18356 1201 1 2 . 1 1 46 46 ASP CB C 46 40.800 40.800 39.894 0.906 18356 1202 1 2 . 1 1 46 46 ASP H H 46 8.430 8.430 8.629 -0.199 18356 1203 1 2 . 1 1 47 47 GLN N N 47 118.900 118.900 116.866 2.034 18356 1204 1 2 . 1 1 47 47 GLN HA H 47 4.030 4.030 4.560 -0.530 18356 1205 1 2 . 1 1 47 47 GLN C C 47 178.000 178.000 178.341 -0.341 18356 1206 1 2 . 1 1 47 47 GLN CA C 47 57.800 57.800 57.351 0.449 18356 1207 1 2 . 1 1 47 47 GLN CB C 47 29.100 29.100 28.723 0.377 18356 1208 1 2 . 1 1 47 47 GLN H H 47 7.830 7.830 7.689 0.141 18356 1209 1 2 . 1 1 48 48 LEU N N 48 118.100 118.100 121.069 -2.969 18356 1210 1 2 . 1 1 48 48 LEU HA H 48 4.180 4.180 4.117 0.063 18356 1211 1 2 . 1 1 48 48 LEU C C 48 177.600 177.600 178.957 -1.357 18356 1212 1 2 . 1 1 48 48 LEU CA C 48 56.300 56.300 56.720 -0.420 18356 1213 1 2 . 1 1 48 48 LEU CB C 48 43.100 43.100 41.537 1.563 18356 1214 1 2 . 1 1 48 48 LEU H H 48 7.560 7.560 7.799 -0.239 18356 1215 1 2 . 1 1 49 49 GLY N N 49 105.600 105.600 107.136 -1.536 18356 1216 1 2 . 1 1 49 49 GLY C C 49 174.700 174.700 174.564 0.136 18356 1217 1 2 . 1 1 49 49 GLY CA C 49 47.000 47.000 45.749 1.251 18356 1218 1 2 . 1 1 49 49 GLY H H 49 7.570 7.570 7.531 0.039 18356 1219 1 2 . 1 1 50 50 ILE N N 50 117.700 117.700 123.697 -5.997 18356 1220 1 2 . 1 1 50 50 ILE HA H 50 4.340 4.340 4.293 0.047 18356 1221 1 2 . 1 1 50 50 ILE C C 50 176.500 176.500 175.243 1.257 18356 1222 1 2 . 1 1 50 50 ILE CA C 50 59.900 59.900 60.383 -0.482 18356 1223 1 2 . 1 1 50 50 ILE CB C 50 38.900 38.900 37.663 1.237 18356 1224 1 2 . 1 1 50 50 ILE H H 50 7.940 7.940 8.018 -0.078 18356 1225 1 2 . 1 1 51 51 THR N N 51 117.500 117.500 122.581 -5.081 18356 1226 1 2 . 1 1 51 51 THR HA H 51 4.420 4.420 4.283 0.137 18356 1227 1 2 . 1 1 51 51 THR C C 51 174.900 174.900 175.517 -0.617 18356 1228 1 2 . 1 1 51 51 THR CA C 51 61.700 61.700 65.182 -3.482 18356 1229 1 2 . 1 1 51 51 THR CB C 51 69.900 69.900 69.088 0.812 18356 1230 1 2 . 1 1 51 51 THR H H 51 8.480 8.480 8.430 0.050 18356 1231 1 2 . 1 1 52 52 GLY N N 52 111.200 111.200 107.551 3.649 18356 1232 1 2 . 1 1 52 52 GLY C C 52 172.700 172.700 173.320 -0.620 18356 1233 1 2 . 1 1 52 52 GLY CA C 52 44.600 44.600 43.494 1.106 18356 1234 1 2 . 1 1 52 52 GLY H H 52 8.080 8.080 7.903 0.177 18356 1235 1 2 . 1 1 53 53 ASP N N 53 120.800 120.800 116.795 4.005 18356 1236 1 2 . 1 1 53 53 ASP HA H 53 4.660 4.660 4.542 0.118 18356 1237 1 2 . 1 1 53 53 ASP C C 53 177.800 177.800 175.370 2.430 18356 1238 1 2 . 1 1 53 53 ASP CA C 53 53.900 53.900 53.858 0.042 18356 1239 1 2 . 1 1 53 53 ASP CB C 53 42.700 42.700 42.099 0.601 18356 1240 1 2 . 1 1 53 53 ASP H H 53 8.490 8.490 8.176 0.314 18356 1241 1 2 . 1 1 54 54 ASP N N 54 124.100 124.100 121.251 2.849 18356 1242 1 2 . 1 1 54 54 ASP HA H 54 4.630 4.630 4.499 0.131 18356 1243 1 2 . 1 1 54 54 ASP C C 54 177.100 177.100 177.289 -0.189 18356 1244 1 2 . 1 1 54 54 ASP CA C 54 56.600 56.600 54.230 2.370 18356 1245 1 2 . 1 1 54 54 ASP CB C 54 42.800 42.800 41.036 1.764 18356 1246 1 2 . 1 1 54 54 ASP H H 54 8.500 8.500 8.603 -0.103 18356 1247 1 2 . 1 1 55 55 TYR N N 55 114.900 114.900 118.340 -3.440 18356 1248 1 2 . 1 1 55 55 TYR HA H 55 4.560 4.560 4.275 0.285 18356 1249 1 2 . 1 1 55 55 TYR C C 55 178.900 178.900 177.113 1.787 18356 1250 1 2 . 1 1 55 55 TYR CA C 55 62.400 62.400 59.873 2.526 18356 1251 1 2 . 1 1 55 55 TYR CB C 55 37.300 37.300 37.595 -0.295 18356 1252 1 2 . 1 1 55 55 TYR H H 55 8.350 8.350 8.128 0.222 18356 1253 1 2 . 1 1 56 56 ASP N N 56 119.600 119.600 118.380 1.220 18356 1254 1 2 . 1 1 56 56 ASP HA H 56 4.560 4.560 4.218 0.342 18356 1255 1 2 . 1 1 56 56 ASP C C 56 177.300 177.300 176.680 0.620 18356 1256 1 2 . 1 1 56 56 ASP CA C 56 57.200 57.200 55.938 1.262 18356 1257 1 2 . 1 1 56 56 ASP CB C 56 40.600 40.600 40.554 0.046 18356 1258 1 2 . 1 1 56 56 ASP H H 56 8.320 8.320 7.733 0.587 18356 1259 1 2 . 1 1 57 57 ASP N N 57 116.600 116.600 118.464 -1.864 18356 1260 1 2 . 1 1 57 57 ASP HA H 57 4.940 4.940 4.625 0.315 18356 1261 1 2 . 1 1 57 57 ASP C C 57 178.100 178.100 177.757 0.343 18356 1262 1 2 . 1 1 57 57 ASP CA C 57 52.400 52.400 55.508 -3.108 18356 1263 1 2 . 1 1 57 57 ASP CB C 57 41.100 41.100 42.268 -1.168 18356 1264 1 2 . 1 1 57 57 ASP H H 57 7.740 7.740 7.638 0.102 18356 1265 1 2 . 1 1 58 58 SER N N 58 117.600 117.600 113.793 3.807 18356 1266 1 2 . 1 1 58 58 SER HA H 58 4.800 4.800 4.764 0.036 18356 1267 1 2 . 1 1 58 58 SER C C 58 174.600 174.600 175.024 -0.424 18356 1268 1 2 . 1 1 58 58 SER CA C 58 60.200 60.200 59.284 0.916 18356 1269 1 2 . 1 1 58 58 SER CB C 58 63.000 63.000 64.990 -1.990 18356 1270 1 2 . 1 1 58 58 SER H H 58 8.130 8.130 8.038 0.092 18356 1271 1 2 . 1 1 59 59 SER N N 59 105.400 105.400 115.673 -10.273 18356 1272 1 2 . 1 1 59 59 SER HA H 59 4.580 4.580 4.030 0.550 18356 1273 1 2 . 1 1 59 59 SER C C 59 173.200 173.200 175.202 -2.002 18356 1274 1 2 . 1 1 59 59 SER CA C 59 60.500 60.500 61.744 -1.244 18356 1275 1 2 . 1 1 59 59 SER CB C 59 66.100 66.100 61.524 4.576 18356 1276 1 2 . 1 1 59 59 SER H H 59 9.010 9.010 8.935 0.075 18356 1277 1 2 . 1 1 60 60 LYS N N 60 123.100 123.100 122.711 0.389 18356 1278 1 2 . 1 1 60 60 LYS HA H 60 4.080 4.080 4.498 -0.418 18356 1279 1 2 . 1 1 60 60 LYS C C 60 176.500 176.500 178.317 -1.817 18356 1280 1 2 . 1 1 60 60 LYS CA C 60 61.000 61.000 58.954 2.046 18356 1281 1 2 . 1 1 60 60 LYS CB C 60 32.800 32.800 32.578 0.222 18356 1282 1 2 . 1 1 60 60 LYS H H 60 7.450 7.450 8.283 -0.833 18356 1283 1 2 . 1 1 61 61 ALA N N 61 120.700 120.700 120.651 0.049 18356 1284 1 2 . 1 1 61 61 ALA HA H 61 4.130 4.130 4.440 -0.310 18356 1285 1 2 . 1 1 61 61 ALA C C 61 181.800 181.800 179.164 2.636 18356 1286 1 2 . 1 1 61 61 ALA CA C 61 55.500 55.500 54.330 1.170 18356 1287 1 2 . 1 1 61 61 ALA CB C 61 17.900 17.900 18.072 -0.172 18356 1288 1 2 . 1 1 61 61 ALA H H 61 8.800 8.800 7.892 0.908 18356 1289 1 2 . 1 1 62 62 ALA N N 62 119.900 119.900 121.400 -1.500 18356 1290 1 2 . 1 1 62 62 ALA HA H 62 4.040 4.040 3.706 0.334 18356 1291 1 2 . 1 1 62 62 ALA C C 62 178.600 178.600 178.759 -0.159 18356 1292 1 2 . 1 1 62 62 ALA CA C 62 55.400 55.400 54.597 0.803 18356 1293 1 2 . 1 1 62 62 ALA CB C 62 19.700 19.700 18.207 1.493 18356 1294 1 2 . 1 1 62 62 ALA H H 62 8.760 8.760 7.917 0.843 18356 1295 1 2 . 1 1 63 63 PHE N N 63 120.400 120.400 116.887 3.513 18356 1296 1 2 . 1 1 63 63 PHE HA H 63 3.660 3.660 4.452 -0.792 18356 1297 1 2 . 1 1 63 63 PHE C C 63 177.300 177.300 177.726 -0.426 18356 1298 1 2 . 1 1 63 63 PHE CA C 63 62.200 62.200 61.626 0.574 18356 1299 1 2 . 1 1 63 63 PHE CB C 63 39.600 39.600 38.576 1.024 18356 1300 1 2 . 1 1 63 63 PHE H H 63 9.380 9.380 7.456 1.924 18356 1301 1 2 . 1 1 64 64 ASP N N 64 119.700 119.700 118.788 0.912 18356 1302 1 2 . 1 1 64 64 ASP HA H 64 4.410 4.410 4.481 -0.071 18356 1303 1 2 . 1 1 64 64 ASP C C 64 180.200 180.200 178.627 1.573 18356 1304 1 2 . 1 1 64 64 ASP CA C 64 57.700 57.700 57.201 0.499 18356 1305 1 2 . 1 1 64 64 ASP CB C 64 39.600 39.600 40.170 -0.570 18356 1306 1 2 . 1 1 64 64 ASP H H 64 9.180 9.180 7.635 1.545 18356 1307 1 2 . 1 1 65 65 LYS N N 65 119.800 119.800 120.274 -0.474 18356 1308 1 2 . 1 1 65 65 LYS HA H 65 4.080 4.080 3.981 0.099 18356 1309 1 2 . 1 1 65 65 LYS C C 65 179.100 179.100 178.288 0.812 18356 1310 1 2 . 1 1 65 65 LYS CA C 65 59.600 59.600 58.455 1.145 18356 1311 1 2 . 1 1 65 65 LYS CB C 65 32.500 32.500 31.623 0.877 18356 1312 1 2 . 1 1 65 65 LYS H H 65 7.420 7.420 7.529 -0.109 18356 1313 1 2 . 1 1 66 66 PHE N N 66 123.400 123.400 118.057 5.343 18356 1314 1 2 . 1 1 66 66 PHE HA H 66 4.340 4.340 4.158 0.182 18356 1315 1 2 . 1 1 66 66 PHE C C 66 175.900 175.900 178.784 -2.884 18356 1316 1 2 . 1 1 66 66 PHE CA C 66 59.900 59.900 60.749 -0.849 18356 1317 1 2 . 1 1 66 66 PHE CB C 66 38.300 38.300 38.695 -0.395 18356 1318 1 2 . 1 1 66 66 PHE H H 66 8.000 8.000 7.419 0.581 18356 1319 1 2 . 1 1 67 67 VAL N N 67 120.200 120.200 119.733 0.467 18356 1320 1 2 . 1 1 67 67 VAL HA H 67 2.600 2.600 3.875 -1.275 18356 1321 1 2 . 1 1 67 67 VAL C C 67 177.700 177.700 177.396 0.304 18356 1322 1 2 . 1 1 67 67 VAL CA C 67 67.100 67.100 64.272 2.828 18356 1323 1 2 . 1 1 67 67 VAL CB C 67 31.700 31.700 31.713 -0.013 18356 1324 1 2 . 1 1 67 67 VAL H H 67 8.500 8.500 7.723 0.777 18356 1325 1 2 . 1 1 68 68 GLU N N 68 118.300 118.300 121.008 -2.708 18356 1326 1 2 . 1 1 68 68 GLU HA H 68 3.800 3.800 4.019 -0.219 18356 1327 1 2 . 1 1 68 68 GLU C C 68 178.800 178.800 177.903 0.897 18356 1328 1 2 . 1 1 68 68 GLU CA C 68 59.500 59.500 58.690 0.810 18356 1329 1 2 . 1 1 68 68 GLU CB C 68 29.400 29.400 28.899 0.501 18356 1330 1 2 . 1 1 68 68 GLU H H 68 7.510 7.510 7.907 -0.397 18356 1331 1 2 . 1 1 69 69 ASP N N 69 121.400 121.400 119.885 1.515 18356 1332 1 2 . 1 1 69 69 ASP HA H 69 4.360 4.360 4.411 -0.051 18356 1333 1 2 . 1 1 69 69 ASP C C 69 178.100 178.100 178.333 -0.233 18356 1334 1 2 . 1 1 69 69 ASP CA C 69 56.500 56.500 56.554 -0.054 18356 1335 1 2 . 1 1 69 69 ASP CB C 69 40.900 40.900 40.531 0.369 18356 1336 1 2 . 1 1 69 69 ASP H H 69 7.750 7.750 7.636 0.114 18356 1337 1 2 . 1 1 70 70 VAL N N 70 117.600 117.600 119.573 -1.973 18356 1338 1 2 . 1 1 70 70 VAL HA H 70 3.050 3.050 3.591 -0.541 18356 1339 1 2 . 1 1 70 70 VAL C C 70 179.900 179.900 177.931 1.969 18356 1340 1 2 . 1 1 70 70 VAL CA C 70 67.500 67.500 66.588 0.912 18356 1341 1 2 . 1 1 70 70 VAL CB C 70 32.400 32.400 31.103 1.297 18356 1342 1 2 . 1 1 70 70 VAL H H 70 8.230 8.230 8.231 -0.001 18356 1343 1 2 . 1 1 71 71 LYS N N 71 120.900 120.900 119.100 1.800 18356 1344 1 2 . 1 1 71 71 LYS HA H 71 3.450 3.450 4.091 -0.641 18356 1345 1 2 . 1 1 71 71 LYS C C 71 177.700 177.700 178.940 -1.240 18356 1346 1 2 . 1 1 71 71 LYS CA C 71 61.900 61.900 59.001 2.899 18356 1347 1 2 . 1 1 71 71 LYS CB C 71 32.400 32.400 31.256 1.144 18356 1348 1 2 . 1 1 71 71 LYS H H 71 8.900 8.900 8.019 0.881 18356 1349 1 2 . 1 1 72 72 SER N N 72 114.200 114.200 117.620 -3.420 18356 1350 1 2 . 1 1 72 72 SER HA H 72 4.340 4.340 4.233 0.107 18356 1351 1 2 . 1 1 72 72 SER C C 72 178.300 178.300 175.846 2.454 18356 1352 1 2 . 1 1 72 72 SER CA C 72 61.500 61.500 61.346 0.154 18356 1353 1 2 . 1 1 72 72 SER CB C 72 63.000 63.000 62.886 0.114 18356 1354 1 2 . 1 1 72 72 SER H H 72 8.000 8.000 8.119 -0.119 18356 1355 1 2 . 1 1 73 73 ARG N N 73 119.700 119.700 116.770 2.930 18356 1356 1 2 . 1 1 73 73 ARG HA H 73 4.160 4.160 4.250 -0.090 18356 1357 1 2 . 1 1 73 73 ARG C C 73 177.000 177.000 177.050 -0.050 18356 1358 1 2 . 1 1 73 73 ARG CA C 73 58.700 58.700 57.830 0.870 18356 1359 1 2 . 1 1 73 73 ARG CB C 73 30.300 30.300 30.316 -0.016 18356 1360 1 2 . 1 1 73 73 ARG H H 73 8.430 8.430 7.571 0.859 18356 1361 1 2 . 1 1 74 74 THR N N 74 103.500 103.500 110.868 -7.368 18356 1362 1 2 . 1 1 74 74 THR HA H 74 4.210 4.210 4.501 -0.291 18356 1363 1 2 . 1 1 74 74 THR C C 74 173.500 173.500 173.765 -0.265 18356 1364 1 2 . 1 1 74 74 THR CA C 74 60.300 60.300 62.110 -1.810 18356 1365 1 2 . 1 1 74 74 THR CB C 74 70.100 70.100 69.449 0.651 18356 1366 1 2 . 1 1 74 74 THR H H 74 7.400 7.400 7.463 -0.063 18356 1367 1 2 . 1 1 75 75 ASP N N 75 121.300 121.300 122.319 -1.019 18356 1368 1 2 . 1 1 75 75 ASP HA H 75 4.280 4.280 4.622 -0.342 18356 1369 1 2 . 1 1 75 75 ASP C C 75 176.500 176.500 176.119 0.381 18356 1370 1 2 . 1 1 75 75 ASP CA C 75 55.300 55.300 55.476 -0.176 18356 1371 1 2 . 1 1 75 75 ASP CB C 75 38.400 38.400 42.241 -3.841 18356 1372 1 2 . 1 1 75 75 ASP H H 75 7.900 7.900 7.595 0.305 18356 1373 1 2 . 1 1 76 76 ASN N N 76 116.400 116.400 118.338 -1.938 18356 1374 1 2 . 1 1 76 76 ASN HA H 76 4.000 4.000 4.844 -0.844 18356 1375 1 2 . 1 1 76 76 ASN C C 76 173.600 173.600 175.943 -2.343 18356 1376 1 2 . 1 1 76 76 ASN CA C 76 54.000 54.000 52.765 1.235 18356 1377 1 2 . 1 1 76 76 ASN CB C 76 36.600 36.600 39.660 -3.060 18356 1378 1 2 . 1 1 76 76 ASN H H 76 9.070 9.070 7.751 1.319 18356 1379 1 2 . 1 1 77 77 LEU N N 77 112.300 112.300 122.955 -10.655 18356 1380 1 2 . 1 1 77 77 LEU HA H 77 3.670 3.670 4.253 -0.583 18356 1381 1 2 . 1 1 77 77 LEU C C 77 175.200 175.200 177.369 -2.169 18356 1382 1 2 . 1 1 77 77 LEU CA C 77 55.900 55.900 56.244 -0.344 18356 1383 1 2 . 1 1 77 77 LEU CB C 77 37.900 37.900 41.013 -3.112 18356 1384 1 2 . 1 1 77 77 LEU H H 77 7.840 7.840 8.530 -0.690 18356 1385 1 2 . 1 1 78 78 THR N N 78 106.000 106.000 109.757 -3.757 18356 1386 1 2 . 1 1 78 78 THR HA H 78 4.220 4.220 4.294 -0.074 18356 1387 1 2 . 1 1 78 78 THR C C 78 172.200 172.200 173.414 -1.214 18356 1388 1 2 . 1 1 78 78 THR CA C 78 60.600 60.600 61.646 -1.046 18356 1389 1 2 . 1 1 78 78 THR CB C 78 69.300 69.300 68.143 1.157 18356 1390 1 2 . 1 1 78 78 THR H H 78 8.240 8.240 7.868 0.372 18356 1391 1 2 . 1 1 79 79 ASP N N 79 118.600 118.600 124.358 -5.758 18356 1392 1 2 . 1 1 79 79 ASP HA H 79 4.730 4.730 4.882 -0.152 18356 1393 1 2 . 1 1 79 79 ASP C C 79 173.000 173.000 174.601 -1.601 18356 1394 1 2 . 1 1 79 79 ASP CA C 79 51.500 51.500 53.942 -2.442 18356 1395 1 2 . 1 1 79 79 ASP CB C 79 44.300 44.300 44.541 -0.241 18356 1396 1 2 . 1 1 79 79 ASP H H 79 7.490 7.490 7.764 -0.274 18356 1397 1 2 . 1 1 80 80 CYS N N 80 115.900 115.900 118.945 -3.045 18356 1398 1 2 . 1 1 80 80 CYS HA H 80 4.470 4.470 4.546 -0.076 18356 1399 1 2 . 1 1 80 80 CYS C C 80 174.000 174.000 172.418 1.582 18356 1400 1 2 . 1 1 80 80 CYS CA C 80 56.300 56.300 57.993 -1.693 18356 1401 1 2 . 1 1 80 80 CYS CB C 80 29.500 29.500 31.575 -2.075 18356 1402 1 2 . 1 1 80 80 CYS H H 80 8.480 8.480 8.578 -0.098 18356 1403 1 2 . 1 1 81 81 ARG N N 81 115.600 115.600 121.956 -6.356 18356 1404 1 2 . 1 1 81 81 ARG HA H 81 4.680 4.680 4.900 -0.220 18356 1405 1 2 . 1 1 81 81 ARG C C 81 175.500 175.500 173.822 1.678 18356 1406 1 2 . 1 1 81 81 ARG CA C 81 54.200 54.200 53.983 0.217 18356 1407 1 2 . 1 1 81 81 ARG CB C 81 39.000 39.000 33.641 5.359 18356 1408 1 2 . 1 1 81 81 ARG H H 81 8.380 8.380 8.275 0.105 18356 1409 1 2 . 1 1 82 82 TYR N N 82 114.200 114.200 123.916 -9.716 18356 1410 1 2 . 1 1 82 82 TYR HA H 82 5.780 5.780 5.151 0.629 18356 1411 1 2 . 1 1 82 82 TYR C C 82 175.200 175.200 174.393 0.807 18356 1412 1 2 . 1 1 82 82 TYR CA C 82 55.200 55.200 56.008 -0.808 18356 1413 1 2 . 1 1 82 82 TYR CB C 82 42.200 42.200 42.278 -0.078 18356 1414 1 2 . 1 1 82 82 TYR H H 82 8.170 8.170 9.228 -1.058 18356 1415 1 2 . 1 1 83 83 ALA N N 83 121.300 121.300 125.112 -3.812 18356 1416 1 2 . 1 1 83 83 ALA HA H 83 5.730 5.730 5.183 0.547 18356 1417 1 2 . 1 1 83 83 ALA C C 83 175.900 175.900 175.156 0.744 18356 1418 1 2 . 1 1 83 83 ALA CA C 83 52.000 52.000 50.373 1.627 18356 1419 1 2 . 1 1 83 83 ALA CB C 83 24.300 24.300 22.005 2.295 18356 1420 1 2 . 1 1 83 83 ALA H H 83 8.780 8.780 8.281 0.499 18356 1421 1 2 . 1 1 84 84 VAL N N 84 111.700 111.700 124.074 -12.374 18356 1422 1 2 . 1 1 84 84 VAL HA H 84 6.180 6.180 5.113 1.067 18356 1423 1 2 . 1 1 84 84 VAL C C 84 176.900 176.900 174.855 2.045 18356 1424 1 2 . 1 1 84 84 VAL CA C 84 58.800 58.800 61.563 -2.763 18356 1425 1 2 . 1 1 84 84 VAL CB C 84 35.600 35.600 34.309 1.291 18356 1426 1 2 . 1 1 84 84 VAL H H 84 9.150 9.150 9.221 -0.071 18356 1427 1 2 . 1 1 85 85 PHE N N 85 121.600 121.600 123.142 -1.542 18356 1428 1 2 . 1 1 85 85 PHE HA H 85 4.710 4.710 5.125 -0.415 18356 1429 1 2 . 1 1 85 85 PHE C C 85 176.500 176.500 172.755 3.745 18356 1430 1 2 . 1 1 85 85 PHE CA C 85 57.200 57.200 56.736 0.464 18356 1431 1 2 . 1 1 85 85 PHE CB C 85 43.900 43.900 41.986 1.914 18356 1432 1 2 . 1 1 85 85 PHE H H 85 8.780 8.780 7.810 0.970 18356 1433 1 2 . 1 1 86 86 ASP N N 86 126.700 126.700 120.244 6.456 18356 1434 1 2 . 1 1 86 86 ASP HA H 86 4.830 4.830 5.109 -0.279 18356 1435 1 2 . 1 1 86 86 ASP C C 86 171.800 171.800 174.842 -3.042 18356 1436 1 2 . 1 1 86 86 ASP CA C 86 54.300 54.300 52.889 1.411 18356 1437 1 2 . 1 1 86 86 ASP CB C 86 40.300 40.300 43.903 -3.603 18356 1438 1 2 . 1 1 86 86 ASP H H 86 7.490 7.490 8.769 -1.279 18356 1439 1 2 . 1 1 87 87 PHE N N 87 135.000 135.000 124.650 10.350 18356 1440 1 2 . 1 1 87 87 PHE HA H 87 3.980 3.980 4.609 -0.629 18356 1441 1 2 . 1 1 87 87 PHE C C 87 173.600 173.600 174.261 -0.661 18356 1442 1 2 . 1 1 87 87 PHE CA C 87 59.700 59.700 56.684 3.016 18356 1443 1 2 . 1 1 87 87 PHE CB C 87 42.900 42.900 42.949 -0.049 18356 1444 1 2 . 1 1 87 87 PHE H H 87 9.600 9.600 8.539 1.061 18356 1445 1 2 . 1 1 88 88 LYS N N 88 127.700 127.700 128.619 -0.919 18356 1446 1 2 . 1 1 88 88 LYS HA H 88 5.260 5.260 4.652 0.608 18356 1447 1 2 . 1 1 88 88 LYS C C 88 176.200 176.200 175.758 0.442 18356 1448 1 2 . 1 1 88 88 LYS CA C 88 55.500 55.500 55.188 0.312 18356 1449 1 2 . 1 1 88 88 LYS CB C 88 33.100 33.100 30.912 2.188 18356 1450 1 2 . 1 1 88 88 LYS H H 88 7.550 7.550 7.881 -0.331 18356 1451 1 2 . 1 1 89 89 PHE N N 89 119.700 119.700 123.823 -4.123 18356 1452 1 2 . 1 1 89 89 PHE HA H 89 5.290 5.290 5.096 0.194 18356 1453 1 2 . 1 1 89 89 PHE C C 89 172.100 172.100 173.891 -1.791 18356 1454 1 2 . 1 1 89 89 PHE CA C 89 56.300 56.300 55.428 0.872 18356 1455 1 2 . 1 1 89 89 PHE CB C 89 40.200 40.200 41.266 -1.066 18356 1456 1 2 . 1 1 89 89 PHE H H 89 9.600 9.600 8.962 0.638 18356 1457 1 2 . 1 1 90 90 THR N N 90 111.800 111.800 110.917 0.883 18356 1458 1 2 . 1 1 90 90 THR HA H 90 5.170 5.170 4.778 0.392 18356 1459 1 2 . 1 1 90 90 THR C C 90 174.100 174.100 173.831 0.269 18356 1460 1 2 . 1 1 90 90 THR CA C 90 60.500 60.500 60.354 0.146 18356 1461 1 2 . 1 1 90 90 THR CB C 90 71.200 71.200 71.615 -0.415 18356 1462 1 2 . 1 1 90 90 THR H H 90 8.170 8.170 8.338 -0.168 18356 1463 1 2 . 1 1 91 91 CYS N N 91 121.300 121.300 121.832 -0.532 18356 1464 1 2 . 1 1 91 91 CYS HA H 91 4.880 4.880 4.787 0.093 18356 1465 1 2 . 1 1 91 91 CYS C C 91 173.600 173.600 174.671 -1.071 18356 1466 1 2 . 1 1 91 91 CYS CA C 91 57.200 57.200 57.384 -0.184 18356 1467 1 2 . 1 1 91 91 CYS CB C 91 30.300 30.300 30.238 0.062 18356 1468 1 2 . 1 1 91 91 CYS H H 91 8.810 8.810 8.476 0.334 18356 1469 1 2 . 1 1 92 92 SER N N 92 120.800 120.800 117.893 2.907 18356 1470 1 2 . 1 1 92 92 SER HA H 92 4.180 4.180 4.358 -0.178 18356 1471 1 2 . 1 1 92 92 SER C C 92 173.600 173.600 174.300 -0.700 18356 1472 1 2 . 1 1 92 92 SER CA C 92 58.300 58.300 58.653 -0.353 18356 1473 1 2 . 1 1 92 92 SER CB C 92 64.000 64.000 63.922 0.077 18356 1474 1 2 . 1 1 92 92 SER H H 92 8.960 8.960 8.791 0.169 18356 1475 1 2 . 1 1 93 93 ARG N N 93 123.600 123.600 126.249 -2.649 18356 1476 1 2 . 1 1 93 93 ARG HA H 93 4.710 4.710 4.432 0.278 18356 1477 1 2 . 1 1 93 93 ARG C C 93 176.300 176.300 174.868 1.432 18356 1478 1 2 . 1 1 93 93 ARG CA C 93 54.800 54.800 56.207 -1.407 18356 1479 1 2 . 1 1 93 93 ARG CB C 93 32.800 32.800 28.274 4.526 18356 1480 1 2 . 1 1 93 93 ARG H H 93 8.140 8.140 8.669 -0.529 18356 1481 1 2 . 1 1 94 94 VAL N N 94 124.700 124.700 126.492 -1.792 18356 1482 1 2 . 1 1 94 94 VAL HA H 94 3.850 3.850 4.363 -0.513 18356 1483 1 2 . 1 1 94 94 VAL C C 94 177.400 177.400 176.366 1.034 18356 1484 1 2 . 1 1 94 94 VAL CA C 94 64.300 64.300 62.092 2.208 18356 1485 1 2 . 1 1 94 94 VAL CB C 94 31.900 31.900 33.966 -2.066 18356 1486 1 2 . 1 1 94 94 VAL H H 94 8.880 8.880 8.107 0.773 18356 1487 1 2 . 1 1 95 95 GLY N N 95 115.100 115.100 118.451 -3.351 18356 1488 1 2 . 1 1 95 95 GLY C C 95 174.100 174.100 173.451 0.649 18356 1489 1 2 . 1 1 95 95 GLY CA C 95 45.800 45.800 45.684 0.116 18356 1490 1 2 . 1 1 95 95 GLY H H 95 8.900 8.900 8.899 0.001 18356 1491 1 2 . 1 1 96 96 ALA N N 96 123.000 123.000 124.628 -1.628 18356 1492 1 2 . 1 1 96 96 ALA HA H 96 4.520 4.520 4.800 -0.280 18356 1493 1 2 . 1 1 96 96 ALA C C 96 177.500 177.500 176.399 1.101 18356 1494 1 2 . 1 1 96 96 ALA CA C 96 52.100 52.100 50.725 1.375 18356 1495 1 2 . 1 1 96 96 ALA CB C 96 20.300 20.300 21.118 -0.818 18356 1496 1 2 . 1 1 96 96 ALA H H 96 8.070 8.070 7.766 0.304 18356 1497 1 2 . 1 1 97 97 GLY N N 97 107.800 107.800 105.113 2.687 18356 1498 1 2 . 1 1 97 97 GLY C C 97 174.000 174.000 174.390 -0.390 18356 1499 1 2 . 1 1 97 97 GLY CA C 97 45.300 45.300 44.139 1.161 18356 1500 1 2 . 1 1 97 97 GLY H H 97 8.270 8.270 8.444 -0.174 18356 1501 1 2 . 1 1 98 98 THR N N 98 115.600 115.600 116.099 -0.499 18356 1502 1 2 . 1 1 98 98 THR HA H 98 4.720 4.720 4.565 0.155 18356 1503 1 2 . 1 1 98 98 THR C C 98 174.300 174.300 174.379 -0.079 18356 1504 1 2 . 1 1 98 98 THR CA C 98 61.900 61.900 63.378 -1.478 18356 1505 1 2 . 1 1 98 98 THR CB C 98 70.400 70.400 68.526 1.874 18356 1506 1 2 . 1 1 98 98 THR H H 98 8.330 8.330 8.183 0.147 18356 1507 1 2 . 1 1 99 99 SER N N 99 119.900 119.900 123.327 -3.427 18356 1508 1 2 . 1 1 99 99 SER HA H 99 4.660 4.660 4.386 0.274 18356 1509 1 2 . 1 1 99 99 SER C C 99 173.000 173.000 173.404 -0.404 18356 1510 1 2 . 1 1 99 99 SER CA C 99 57.700 57.700 58.311 -0.611 18356 1511 1 2 . 1 1 99 99 SER CB C 99 65.300 65.300 63.129 2.171 18356 1512 1 2 . 1 1 99 99 SER H H 99 8.760 8.760 8.321 0.439 18356 1513 1 2 . 1 1 100 100 LYS N N 100 123.800 123.800 126.345 -2.545 18356 1514 1 2 . 1 1 100 100 LYS HA H 100 4.260 4.260 4.893 -0.633 18356 1515 1 2 . 1 1 100 100 LYS C C 100 175.600 175.600 175.568 0.032 18356 1516 1 2 . 1 1 100 100 LYS CA C 100 56.900 56.900 55.327 1.573 18356 1517 1 2 . 1 1 100 100 LYS CB C 100 33.000 33.000 34.115 -1.115 18356 1518 1 2 . 1 1 100 100 LYS H H 100 8.280 8.280 8.205 0.075 18356 1519 1 2 . 1 1 101 101 MET N N 101 123.200 123.200 117.593 5.607 18356 1520 1 2 . 1 1 101 101 MET HA H 101 4.510 4.510 4.702 -0.192 18356 1521 1 2 . 1 1 101 101 MET C C 101 172.700 172.700 173.344 -0.644 18356 1522 1 2 . 1 1 101 101 MET CA C 101 54.600 54.600 54.535 0.065 18356 1523 1 2 . 1 1 101 101 MET CB C 101 35.900 35.900 35.852 0.048 18356 1524 1 2 . 1 1 101 101 MET H H 101 8.910 8.910 8.551 0.359 18356 1525 1 2 . 1 1 102 102 ASP N N 102 119.000 119.000 118.969 0.031 18356 1526 1 2 . 1 1 102 102 ASP HA H 102 5.690 5.690 5.370 0.320 18356 1527 1 2 . 1 1 102 102 ASP C C 102 175.600 175.600 175.532 0.068 18356 1528 1 2 . 1 1 102 102 ASP CA C 102 52.500 52.500 52.953 -0.453 18356 1529 1 2 . 1 1 102 102 ASP CB C 102 42.700 42.700 42.914 -0.214 18356 1530 1 2 . 1 1 102 102 ASP H H 102 8.030 8.030 8.327 -0.297 18356 1531 1 2 . 1 1 103 103 LYS N N 103 122.100 122.100 121.287 0.813 18356 1532 1 2 . 1 1 103 103 LYS HA H 103 4.810 4.810 4.616 0.194 18356 1533 1 2 . 1 1 103 103 LYS C C 103 174.400 174.400 174.419 -0.019 18356 1534 1 2 . 1 1 103 103 LYS CA C 103 53.400 53.400 56.005 -2.605 18356 1535 1 2 . 1 1 103 103 LYS CB C 103 36.500 36.500 35.944 0.556 18356 1536 1 2 . 1 1 103 103 LYS H H 103 9.340 9.340 8.332 1.008 18356 1537 1 2 . 1 1 104 104 ILE N N 104 123.500 123.500 125.245 -1.745 18356 1538 1 2 . 1 1 104 104 ILE HA H 104 3.780 3.780 4.898 -1.118 18356 1539 1 2 . 1 1 104 104 ILE C C 104 175.900 175.900 173.964 1.936 18356 1540 1 2 . 1 1 104 104 ILE CA C 104 61.700 61.700 59.522 2.178 18356 1541 1 2 . 1 1 104 104 ILE CB C 104 37.700 37.700 40.696 -2.996 18356 1542 1 2 . 1 1 104 104 ILE H H 104 8.810 8.810 8.718 0.092 18356 1543 1 2 . 1 1 105 105 ILE N N 105 119.200 119.200 121.690 -2.490 18356 1544 1 2 . 1 1 105 105 ILE HA H 105 5.310 5.310 5.119 0.191 18356 1545 1 2 . 1 1 105 105 ILE C C 105 174.200 174.200 173.365 0.835 18356 1546 1 2 . 1 1 105 105 ILE CA C 105 59.700 59.700 58.797 0.903 18356 1547 1 2 . 1 1 105 105 ILE CB C 105 39.800 39.800 41.523 -1.723 18356 1548 1 2 . 1 1 105 105 ILE H H 105 8.130 8.130 7.850 0.280 18356 1549 1 2 . 1 1 106 106 PHE N N 106 125.800 125.800 122.368 3.432 18356 1550 1 2 . 1 1 106 106 PHE HA H 106 5.680 5.680 5.339 0.341 18356 1551 1 2 . 1 1 106 106 PHE C C 106 173.500 173.500 173.234 0.266 18356 1552 1 2 . 1 1 106 106 PHE CA C 106 56.000 56.000 55.996 0.004 18356 1553 1 2 . 1 1 106 106 PHE CB C 106 43.000 43.000 42.426 0.574 18356 1554 1 2 . 1 1 106 106 PHE H H 106 9.570 9.570 8.321 1.249 18356 1555 1 2 . 1 1 107 107 LEU N N 107 125.900 125.900 123.612 2.288 18356 1556 1 2 . 1 1 107 107 LEU HA H 107 5.300 5.300 4.245 1.055 18356 1557 1 2 . 1 1 107 107 LEU C C 107 174.600 174.600 175.114 -0.514 18356 1558 1 2 . 1 1 107 107 LEU CA C 107 53.300 53.300 52.198 1.102 18356 1559 1 2 . 1 1 107 107 LEU CB C 107 44.400 44.400 42.933 1.467 18356 1560 1 2 . 1 1 107 107 LEU H H 107 9.320 9.320 7.661 1.659 18356 1561 1 2 . 1 1 108 108 GLN N N 108 124.800 124.800 120.309 4.491 18356 1562 1 2 . 1 1 108 108 GLN HA H 108 4.670 4.670 4.534 0.136 18356 1563 1 2 . 1 1 108 108 GLN C C 108 173.900 173.900 174.813 -0.913 18356 1564 1 2 . 1 1 108 108 GLN CA C 108 55.500 55.500 54.732 0.768 18356 1565 1 2 . 1 1 108 108 GLN CB C 108 30.200 30.200 30.201 -0.001 18356 1566 1 2 . 1 1 108 108 GLN H H 108 8.620 8.620 8.540 0.080 18356 1567 1 2 . 1 1 109 109 ILE N N 109 128.400 128.400 125.189 3.211 18356 1568 1 2 . 1 1 109 109 ILE HA H 109 4.340 4.340 4.547 -0.207 18356 1569 1 2 . 1 1 109 109 ILE C C 109 173.800 173.800 174.919 -1.119 18356 1570 1 2 . 1 1 109 109 ILE CA C 109 61.500 61.500 58.524 2.976 18356 1571 1 2 . 1 1 109 109 ILE CB C 109 37.600 37.600 37.008 0.592 18356 1572 1 2 . 1 1 109 109 ILE H H 109 8.550 8.550 8.707 -0.157 18356 1573 1 2 . 1 1 110 110 CYS N N 110 125.800 125.800 126.939 -1.139 18356 1574 1 2 . 1 1 110 110 CYS HA H 110 5.340 5.340 4.652 0.688 18356 1575 1 2 . 1 1 110 110 CYS C C 110 171.200 171.200 172.228 -1.028 18356 1576 1 2 . 1 1 110 110 CYS CA C 110 54.400 54.400 55.698 -1.298 18356 1577 1 2 . 1 1 110 110 CYS CB C 110 29.400 29.400 31.343 -1.943 18356 1578 1 2 . 1 1 110 110 CYS H H 110 8.330 8.330 8.152 0.178 18356 1579 1 2 . 1 1 111 111 PRO HA H 111 4.470 4.470 4.342 0.128 18356 1580 1 2 . 1 1 111 111 PRO CA C 111 59.500 59.500 62.950 -3.450 18356 1581 1 2 . 1 1 112 112 ASP N N 112 120.600 120.600 125.691 -5.091 18356 1582 1 2 . 1 1 112 112 ASP HA H 112 4.260 4.260 4.266 -0.006 18356 1583 1 2 . 1 1 112 112 ASP C C 112 177.400 177.400 178.629 -1.229 18356 1584 1 2 . 1 1 112 112 ASP CA C 112 57.700 57.700 57.414 0.286 18356 1585 1 2 . 1 1 112 112 ASP CB C 112 41.300 41.300 40.869 0.431 18356 1586 1 2 . 1 1 112 112 ASP H H 112 8.390 8.390 8.401 -0.011 18356 1587 1 2 . 1 1 113 113 GLY N N 113 103.400 103.400 105.577 -2.177 18356 1588 1 2 . 1 1 113 113 GLY C C 113 174.500 174.500 174.494 0.006 18356 1589 1 2 . 1 1 113 113 GLY CA C 113 45.500 45.500 44.804 0.696 18356 1590 1 2 . 1 1 113 113 GLY H H 113 8.520 8.520 8.220 0.300 18356 1591 1 2 . 1 1 114 114 ALA N N 114 122.000 122.000 122.863 -0.863 18356 1592 1 2 . 1 1 114 114 ALA HA H 114 4.360 4.360 4.415 -0.055 18356 1593 1 2 . 1 1 114 114 ALA C C 114 176.200 176.200 177.081 -0.881 18356 1594 1 2 . 1 1 114 114 ALA CA C 114 51.000 51.000 51.146 -0.146 18356 1595 1 2 . 1 1 114 114 ALA CB C 114 20.500 20.500 19.708 0.792 18356 1596 1 2 . 1 1 114 114 ALA H H 114 7.560 7.560 7.352 0.208 18356 1597 1 2 . 1 1 115 115 SER N N 115 115.900 115.900 114.322 1.578 18356 1598 1 2 . 1 1 115 115 SER HA H 115 4.400 4.400 4.298 0.102 18356 1599 1 2 . 1 1 115 115 SER C C 115 175.600 175.600 175.882 -0.282 18356 1600 1 2 . 1 1 115 115 SER CA C 115 57.700 57.700 59.033 -1.333 18356 1601 1 2 . 1 1 115 115 SER CB C 115 64.400 64.400 63.509 0.891 18356 1602 1 2 . 1 1 115 115 SER H H 115 8.620 8.620 8.310 0.310 18356 1603 1 2 . 1 1 116 116 ILE N N 116 123.700 123.700 125.790 -2.090 18356 1604 1 2 . 1 1 116 116 ILE HA H 116 4.740 4.740 3.987 0.753 18356 1605 1 2 . 1 1 116 116 ILE C C 116 177.600 177.600 176.878 0.722 18356 1606 1 2 . 1 1 116 116 ILE CA C 116 61.900 61.900 63.975 -2.075 18356 1607 1 2 . 1 1 116 116 ILE CB C 116 37.800 37.800 38.145 -0.345 18356 1608 1 2 . 1 1 116 116 ILE H H 116 8.810 8.810 8.931 -0.121 18356 1609 1 2 . 1 1 117 117 LYS N N 117 119.200 119.200 120.437 -1.237 18356 1610 1 2 . 1 1 117 117 LYS HA H 117 4.080 4.080 4.107 -0.027 18356 1611 1 2 . 1 1 117 117 LYS C C 117 179.400 179.400 178.811 0.589 18356 1612 1 2 . 1 1 117 117 LYS CA C 117 59.600 59.600 58.907 0.693 18356 1613 1 2 . 1 1 117 117 LYS CB C 117 32.700 32.700 31.044 1.655 18356 1614 1 2 . 1 1 117 117 LYS H H 117 8.140 8.140 8.397 -0.257 18356 1615 1 2 . 1 1 118 118 LYS N N 118 118.700 118.700 119.277 -0.577 18356 1616 1 2 . 1 1 118 118 LYS HA H 118 4.290 4.290 4.202 0.088 18356 1617 1 2 . 1 1 118 118 LYS C C 118 178.700 178.700 179.269 -0.569 18356 1618 1 2 . 1 1 118 118 LYS CA C 118 58.500 58.500 58.531 -0.030 18356 1619 1 2 . 1 1 118 118 LYS CB C 118 32.500 32.500 31.836 0.664 18356 1620 1 2 . 1 1 118 118 LYS H H 118 7.570 7.570 7.974 -0.404 18356 1621 1 2 . 1 1 119 119 LYS N N 119 118.900 118.900 119.067 -0.167 18356 1622 1 2 . 1 1 119 119 LYS HA H 119 4.340 4.340 4.629 -0.289 18356 1623 1 2 . 1 1 119 119 LYS C C 119 179.600 179.600 179.028 0.572 18356 1624 1 2 . 1 1 119 119 LYS CA C 119 61.300 61.300 58.722 2.578 18356 1625 1 2 . 1 1 119 119 LYS CB C 119 32.300 32.300 32.337 -0.037 18356 1626 1 2 . 1 1 119 119 LYS H H 119 8.450 8.450 7.850 0.600 18356 1627 1 2 . 1 1 120 120 MET N N 120 117.400 117.400 118.928 -1.528 18356 1628 1 2 . 1 1 120 120 MET HA H 120 4.290 4.290 4.256 0.034 18356 1629 1 2 . 1 1 120 120 MET C C 120 179.500 179.500 177.990 1.510 18356 1630 1 2 . 1 1 120 120 MET CA C 120 59.100 59.100 58.976 0.124 18356 1631 1 2 . 1 1 120 120 MET CB C 120 32.400 32.400 33.063 -0.663 18356 1632 1 2 . 1 1 120 120 MET H H 120 8.420 8.420 7.663 0.757 18356 1633 1 2 . 1 1 121 121 VAL N N 121 121.800 121.800 119.152 2.648 18356 1634 1 2 . 1 1 121 121 VAL HA H 121 3.980 3.980 3.704 0.276 18356 1635 1 2 . 1 1 121 121 VAL C C 121 179.200 179.200 178.496 0.704 18356 1636 1 2 . 1 1 121 121 VAL CA C 121 66.200 66.200 66.804 -0.604 18356 1637 1 2 . 1 1 121 121 VAL CB C 121 32.300 32.300 31.002 1.298 18356 1638 1 2 . 1 1 121 121 VAL H H 121 8.000 8.000 8.749 -0.749 18356 1639 1 2 . 1 1 122 122 TYR N N 122 121.300 121.300 120.052 1.248 18356 1640 1 2 . 1 1 122 122 TYR HA H 122 4.230 4.230 4.379 -0.149 18356 1641 1 2 . 1 1 122 122 TYR C C 122 180.700 180.700 176.794 3.906 18356 1642 1 2 . 1 1 122 122 TYR CA C 122 61.400 61.400 61.102 0.298 18356 1643 1 2 . 1 1 122 122 TYR CB C 122 38.300 38.300 37.252 1.048 18356 1644 1 2 . 1 1 122 122 TYR H H 122 8.610 8.610 8.827 -0.217 18356 1645 1 2 . 1 1 123 123 ALA N N 123 124.000 124.000 121.064 2.936 18356 1646 1 2 . 1 1 123 123 ALA HA H 123 4.360 4.360 3.332 1.028 18356 1647 1 2 . 1 1 123 123 ALA C C 123 180.800 180.800 179.436 1.364 18356 1648 1 2 . 1 1 123 123 ALA CA C 123 55.800 55.800 54.765 1.035 18356 1649 1 2 . 1 1 123 123 ALA CB C 123 18.200 18.200 17.301 0.899 18356 1650 1 2 . 1 1 123 123 ALA H H 123 8.760 8.760 7.800 0.960 18356 1651 1 2 . 1 1 124 124 SER N N 124 113.200 113.200 110.659 2.541 18356 1652 1 2 . 1 1 124 124 SER HA H 124 4.340 4.340 4.273 0.067 18356 1653 1 2 . 1 1 124 124 SER C C 124 176.400 176.400 175.652 0.748 18356 1654 1 2 . 1 1 124 124 SER CA C 124 61.500 61.500 59.193 2.307 18356 1655 1 2 . 1 1 124 124 SER CB C 124 63.300 63.300 63.120 0.180 18356 1656 1 2 . 1 1 124 124 SER H H 124 8.500 8.500 7.784 0.717 18356 1657 1 2 . 1 1 125 125 SER N N 125 115.200 115.200 117.201 -2.001 18356 1658 1 2 . 1 1 125 125 SER HA H 125 4.460 4.460 4.359 0.101 18356 1659 1 2 . 1 1 125 125 SER C C 125 173.100 173.100 175.698 -2.598 18356 1660 1 2 . 1 1 125 125 SER CA C 125 59.400 59.400 61.504 -2.104 18356 1661 1 2 . 1 1 125 125 SER CB C 125 63.400 63.400 63.659 -0.259 18356 1662 1 2 . 1 1 125 125 SER H H 125 7.480 7.480 7.196 0.284 18356 1663 1 2 . 1 1 126 126 ALA N N 126 122.600 122.600 123.250 -0.650 18356 1664 1 2 . 1 1 126 126 ALA HA H 126 3.780 3.780 3.883 -0.103 18356 1665 1 2 . 1 1 126 126 ALA C C 126 178.600 178.600 178.789 -0.189 18356 1666 1 2 . 1 1 126 126 ALA CA C 126 54.900 54.900 54.609 0.291 18356 1667 1 2 . 1 1 126 126 ALA CB C 126 18.700 18.700 18.194 0.506 18356 1668 1 2 . 1 1 126 126 ALA H H 126 7.100 7.100 8.558 -1.458 18356 1669 1 2 . 1 1 127 127 ALA N N 127 118.800 118.800 120.284 -1.484 18356 1670 1 2 . 1 1 127 127 ALA HA H 127 3.860 3.860 3.868 -0.008 18356 1671 1 2 . 1 1 127 127 ALA C C 127 179.700 179.700 178.701 0.999 18356 1672 1 2 . 1 1 127 127 ALA CA C 127 55.200 55.200 54.857 0.343 18356 1673 1 2 . 1 1 127 127 ALA CB C 127 17.700 17.700 18.136 -0.436 18356 1674 1 2 . 1 1 127 127 ALA H H 127 8.480 8.480 7.677 0.803 18356 1675 1 2 . 1 1 128 128 ALA N N 128 120.700 120.700 121.376 -0.676 18356 1676 1 2 . 1 1 128 128 ALA HA H 128 3.990 3.990 3.965 0.025 18356 1677 1 2 . 1 1 128 128 ALA C C 128 180.600 180.600 178.925 1.675 18356 1678 1 2 . 1 1 128 128 ALA CA C 128 55.100 55.100 54.841 0.259 18356 1679 1 2 . 1 1 128 128 ALA CB C 128 17.900 17.900 18.546 -0.645 18356 1680 1 2 . 1 1 128 128 ALA H H 128 7.800 7.800 7.314 0.486 18356 1681 1 2 . 1 1 129 129 ILE N N 129 114.900 114.900 119.427 -4.527 18356 1682 1 2 . 1 1 129 129 ILE HA H 129 3.780 3.780 3.716 0.064 18356 1683 1 2 . 1 1 129 129 ILE C C 129 176.100 176.100 177.670 -1.570 18356 1684 1 2 . 1 1 129 129 ILE CA C 129 63.300 63.300 63.121 0.179 18356 1685 1 2 . 1 1 129 129 ILE CB C 129 37.200 37.200 37.038 0.162 18356 1686 1 2 . 1 1 129 129 ILE H H 129 7.180 7.180 7.339 -0.159 18356 1687 1 2 . 1 1 130 130 LYS N N 130 122.400 122.400 120.178 2.222 18356 1688 1 2 . 1 1 130 130 LYS HA H 130 3.870 3.870 3.228 0.642 18356 1689 1 2 . 1 1 130 130 LYS C C 130 178.400 178.400 177.919 0.481 18356 1690 1 2 . 1 1 130 130 LYS CA C 130 61.100 61.100 59.510 1.590 18356 1691 1 2 . 1 1 130 130 LYS CB C 130 31.500 31.500 32.219 -0.719 18356 1692 1 2 . 1 1 130 130 LYS H H 130 7.870 7.870 8.331 -0.461 18356 1693 1 2 . 1 1 131 131 THR N N 131 113.000 113.000 114.708 -1.708 18356 1694 1 2 . 1 1 131 131 THR HA H 131 3.870 3.870 3.960 -0.090 18356 1695 1 2 . 1 1 131 131 THR C C 131 176.300 176.300 175.834 0.466 18356 1696 1 2 . 1 1 131 131 THR CA C 131 65.900 65.900 65.104 0.796 18356 1697 1 2 . 1 1 131 131 THR CB C 131 68.700 68.700 68.422 0.278 18356 1698 1 2 . 1 1 131 131 THR H H 131 8.000 8.000 7.522 0.478 18356 1699 1 2 . 1 1 132 132 SER N N 132 117.300 117.300 114.792 2.508 18356 1700 1 2 . 1 1 132 132 SER HA H 132 4.100 4.100 4.287 -0.187 18356 1701 1 2 . 1 1 132 132 SER C C 132 174.900 174.900 174.921 -0.021 18356 1702 1 2 . 1 1 132 132 SER CA C 132 61.900 61.900 60.845 1.055 18356 1703 1 2 . 1 1 132 132 SER CB C 132 63.300 63.300 63.348 -0.048 18356 1704 1 2 . 1 1 132 132 SER H H 132 7.290 7.290 7.476 -0.186 18356 1705 1 2 . 1 1 133 133 LEU N N 133 118.100 118.100 112.841 5.259 18356 1706 1 2 . 1 1 133 133 LEU HA H 133 3.700 3.700 4.603 -0.903 18356 1707 1 2 . 1 1 133 133 LEU C C 133 176.600 176.600 177.485 -0.885 18356 1708 1 2 . 1 1 133 133 LEU CA C 133 56.300 56.300 54.524 1.776 18356 1709 1 2 . 1 1 133 133 LEU CB C 133 40.400 40.400 42.495 -2.095 18356 1710 1 2 . 1 1 133 133 LEU H H 133 7.330 7.330 7.233 0.097 18356 1711 1 2 . 1 1 134 134 GLY N N 134 105.600 105.600 107.736 -2.136 18356 1712 1 2 . 1 1 134 134 GLY C C 134 174.800 174.800 174.320 0.480 18356 1713 1 2 . 1 1 134 134 GLY CA C 134 45.300 45.300 46.968 -1.668 18356 1714 1 2 . 1 1 134 134 GLY H H 134 7.420 7.420 8.312 -0.892 18356 1715 1 2 . 1 1 135 135 THR N N 135 116.600 116.600 113.845 2.755 18356 1716 1 2 . 1 1 135 135 THR HA H 135 3.870 3.870 3.773 0.097 18356 1717 1 2 . 1 1 135 135 THR C C 135 176.000 176.000 174.892 1.108 18356 1718 1 2 . 1 1 135 135 THR CA C 135 63.900 63.900 64.172 -0.272 18356 1719 1 2 . 1 1 135 135 THR CB C 135 68.600 68.600 67.995 0.605 18356 1720 1 2 . 1 1 135 135 THR H H 135 8.450 8.450 7.911 0.539 18356 1721 1 2 . 1 1 136 136 GLY N N 136 109.300 109.300 109.644 -0.344 18356 1722 1 2 . 1 1 136 136 GLY C C 136 175.000 175.000 173.910 1.090 18356 1723 1 2 . 1 1 136 136 GLY CA C 136 45.700 45.700 45.481 0.219 18356 1724 1 2 . 1 1 136 136 GLY H H 136 8.720 8.720 8.240 0.480 18356 1725 1 2 . 1 1 137 137 LYS N N 137 118.500 118.500 119.015 -0.515 18356 1726 1 2 . 1 1 137 137 LYS HA H 137 4.500 4.500 4.583 -0.083 18356 1727 1 2 . 1 1 137 137 LYS C C 137 176.200 176.200 176.699 -0.499 18356 1728 1 2 . 1 1 137 137 LYS CA C 137 56.300 56.300 56.299 0.001 18356 1729 1 2 . 1 1 137 137 LYS CB C 137 34.100 34.100 34.127 -0.027 18356 1730 1 2 . 1 1 137 137 LYS H H 137 8.110 8.110 8.122 -0.012 18356 1731 1 2 . 1 1 138 138 ILE N N 138 111.400 111.400 115.362 -3.962 18356 1732 1 2 . 1 1 138 138 ILE HA H 138 5.050 5.050 4.718 0.332 18356 1733 1 2 . 1 1 138 138 ILE C C 138 174.700 174.700 174.719 -0.019 18356 1734 1 2 . 1 1 138 138 ILE CA C 138 59.500 59.500 58.926 0.574 18356 1735 1 2 . 1 1 138 138 ILE CB C 138 41.600 41.600 40.042 1.558 18356 1736 1 2 . 1 1 138 138 ILE H H 138 7.270 7.270 7.214 0.056 18356 1737 1 2 . 1 1 139 139 LEU N N 139 124.600 124.600 120.133 4.467 18356 1738 1 2 . 1 1 139 139 LEU HA H 139 4.690 4.690 4.653 0.037 18356 1739 1 2 . 1 1 139 139 LEU C C 139 175.600 175.600 175.143 0.457 18356 1740 1 2 . 1 1 139 139 LEU CA C 139 54.200 54.200 53.505 0.695 18356 1741 1 2 . 1 1 139 139 LEU CB C 139 43.800 43.800 45.067 -1.267 18356 1742 1 2 . 1 1 139 139 LEU H H 139 8.450 8.450 8.207 0.243 18356 1743 1 2 . 1 1 140 140 GLN N N 140 123.500 123.500 123.678 -0.178 18356 1744 1 2 . 1 1 140 140 GLN HA H 140 5.350 5.350 5.713 -0.363 18356 1745 1 2 . 1 1 140 140 GLN C C 140 174.900 174.900 175.334 -0.434 18356 1746 1 2 . 1 1 140 140 GLN CA C 140 55.800 55.800 54.542 1.258 18356 1747 1 2 . 1 1 140 140 GLN CB C 140 30.900 30.900 30.453 0.447 18356 1748 1 2 . 1 1 140 140 GLN H H 140 8.590 8.590 8.502 0.088 18356 1749 1 2 . 1 1 141 141 PHE N N 141 120.500 120.500 118.772 1.728 18356 1750 1 2 . 1 1 141 141 PHE HA H 141 4.870 4.870 4.854 0.016 18356 1751 1 2 . 1 1 141 141 PHE C C 141 174.700 174.700 173.774 0.926 18356 1752 1 2 . 1 1 141 141 PHE CA C 141 57.300 57.300 56.263 1.037 18356 1753 1 2 . 1 1 141 141 PHE CB C 141 42.800 42.800 41.111 1.689 18356 1754 1 2 . 1 1 141 141 PHE H H 141 9.280 9.280 7.909 1.371 18356 1755 1 2 . 1 1 142 142 GLN N N 142 123.700 123.700 126.825 -3.125 18356 1756 1 2 . 1 1 142 142 GLN HA H 142 4.880 4.880 4.945 -0.065 18356 1757 1 2 . 1 1 142 142 GLN C C 142 174.900 174.900 174.979 -0.079 18356 1758 1 2 . 1 1 142 142 GLN CA C 142 55.500 55.500 55.221 0.279 18356 1759 1 2 . 1 1 142 142 GLN CB C 142 30.200 30.200 29.849 0.352 18356 1760 1 2 . 1 1 142 142 GLN H H 142 9.080 9.080 8.603 0.477 18356 1761 1 2 . 1 1 143 143 VAL N N 143 120.900 120.900 123.945 -3.045 18356 1762 1 2 . 1 1 143 143 VAL HA H 143 4.600 4.600 4.612 -0.012 18356 1763 1 2 . 1 1 143 143 VAL C C 143 174.800 174.800 174.698 0.102 18356 1764 1 2 . 1 1 143 143 VAL CA C 143 60.900 60.900 60.050 0.850 18356 1765 1 2 . 1 1 143 143 VAL CB C 143 35.700 35.700 34.173 1.527 18356 1766 1 2 . 1 1 143 143 VAL H H 143 8.560 8.560 9.041 -0.481 18356 1767 1 2 . 1 1 144 144 SER N N 144 120.500 120.500 120.423 0.077 18356 1768 1 2 . 1 1 144 144 SER HA H 144 4.740 4.740 4.567 0.173 18356 1769 1 2 . 1 1 144 144 SER C C 144 173.200 173.200 174.078 -0.878 18356 1770 1 2 . 1 1 144 144 SER CA C 144 58.200 58.200 58.576 -0.376 18356 1771 1 2 . 1 1 144 144 SER CB C 144 65.600 65.600 64.795 0.805 18356 1772 1 2 . 1 1 144 144 SER H H 144 9.640 9.640 8.621 1.019 18356 1773 1 2 . 1 1 145 145 ASP N N 145 118.600 118.600 122.374 -3.774 18356 1774 1 2 . 1 1 145 145 ASP HA H 145 4.700 4.700 4.694 0.006 18356 1775 1 2 . 1 1 145 145 ASP C C 145 175.500 175.500 176.714 -1.214 18356 1776 1 2 . 1 1 145 145 ASP CA C 145 53.300 53.300 53.710 -0.410 18356 1777 1 2 . 1 1 145 145 ASP CB C 145 44.100 44.100 42.413 1.687 18356 1778 1 2 . 1 1 145 145 ASP H H 145 7.760 7.760 7.777 -0.017 18356 1779 1 2 . 1 1 146 146 GLU N N 146 119.900 119.900 125.462 -5.562 18356 1780 1 2 . 1 1 146 146 GLU HA H 146 3.780 3.780 4.075 -0.295 18356 1781 1 2 . 1 1 146 146 GLU C C 146 177.800 177.800 177.832 -0.032 18356 1782 1 2 . 1 1 146 146 GLU CA C 146 59.700 59.700 58.917 0.783 18356 1783 1 2 . 1 1 146 146 GLU CB C 146 29.800 29.800 29.791 0.009 18356 1784 1 2 . 1 1 146 146 GLU H H 146 8.950 8.950 8.847 0.103 18356 1785 1 2 . 1 1 147 147 SER N N 147 116.700 116.700 115.685 1.015 18356 1786 1 2 . 1 1 147 147 SER HA H 147 4.190 4.190 4.226 -0.036 18356 1787 1 2 . 1 1 147 147 SER C C 147 176.600 176.600 176.644 -0.044 18356 1788 1 2 . 1 1 147 147 SER CA C 147 61.500 61.500 61.110 0.390 18356 1789 1 2 . 1 1 147 147 SER CB C 147 60.100 60.100 63.023 -2.923 18356 1790 1 2 . 1 1 147 147 SER H H 147 8.660 8.660 8.082 0.578 18356 1791 1 2 . 1 1 148 148 GLU N N 148 120.300 120.300 122.267 -1.967 18356 1792 1 2 . 1 1 148 148 GLU HA H 148 4.160 4.160 4.170 -0.010 18356 1793 1 2 . 1 1 148 148 GLU C C 148 176.200 176.200 178.074 -1.874 18356 1794 1 2 . 1 1 148 148 GLU CA C 148 57.600 57.600 57.839 -0.239 18356 1795 1 2 . 1 1 148 148 GLU CB C 148 30.900 30.900 29.186 1.714 18356 1796 1 2 . 1 1 148 148 GLU H H 148 7.940 7.940 8.325 -0.385 18356 1797 1 2 . 1 1 149 149 MET N N 149 116.000 116.000 118.224 -2.224 18356 1798 1 2 . 1 1 149 149 MET HA H 149 4.530 4.530 4.433 0.097 18356 1799 1 2 . 1 1 149 149 MET C C 149 173.000 173.000 176.032 -3.032 18356 1800 1 2 . 1 1 149 149 MET CA C 149 53.400 53.400 55.259 -1.859 18356 1801 1 2 . 1 1 149 149 MET CB C 149 32.900 32.900 32.677 0.223 18356 1802 1 2 . 1 1 149 149 MET H H 149 7.500 7.500 7.478 0.022 18356 1803 1 2 . 1 1 150 150 SER N N 150 112.400 112.400 114.865 -2.465 18356 1804 1 2 . 1 1 150 150 SER HA H 150 4.710 4.710 4.355 0.355 18356 1805 1 2 . 1 1 150 150 SER C C 150 174.100 174.100 175.471 -1.371 18356 1806 1 2 . 1 1 150 150 SER CA C 150 56.900 56.900 57.581 -0.681 18356 1807 1 2 . 1 1 150 150 SER CB C 150 65.300 65.300 64.623 0.677 18356 1808 1 2 . 1 1 150 150 SER H H 150 7.100 7.100 7.393 -0.293 18356 1809 1 2 . 1 1 151 151 HIS N N 151 125.700 125.700 123.599 2.101 18356 1810 1 2 . 1 1 151 151 HIS HA H 151 4.670 4.670 4.070 0.600 18356 1811 1 2 . 1 1 151 151 HIS C C 151 175.900 175.900 176.514 -0.614 18356 1812 1 2 . 1 1 151 151 HIS CA C 151 62.300 62.300 58.565 3.735 18356 1813 1 2 . 1 1 151 151 HIS CB C 151 31.900 31.900 29.201 2.699 18356 1814 1 2 . 1 1 151 151 HIS H H 151 9.510 9.510 8.577 0.933 18356 1815 1 2 . 1 1 152 152 LYS N N 152 115.700 115.700 121.065 -5.365 18356 1816 1 2 . 1 1 152 152 LYS HA H 152 3.690 3.690 3.858 -0.168 18356 1817 1 2 . 1 1 152 152 LYS C C 152 178.700 178.700 178.280 0.420 18356 1818 1 2 . 1 1 152 152 LYS CA C 152 59.200 59.200 59.058 0.142 18356 1819 1 2 . 1 1 152 152 LYS CB C 152 32.700 32.700 31.143 1.557 18356 1820 1 2 . 1 1 152 152 LYS H H 152 8.380 8.380 7.956 0.424 18356 1821 1 2 . 1 1 153 153 GLU N N 153 117.400 117.400 118.885 -1.485 18356 1822 1 2 . 1 1 153 153 GLU HA H 153 4.070 4.070 4.208 -0.138 18356 1823 1 2 . 1 1 153 153 GLU C C 153 179.100 179.100 177.913 1.187 18356 1824 1 2 . 1 1 153 153 GLU CA C 153 58.500 58.500 57.369 1.131 18356 1825 1 2 . 1 1 153 153 GLU CB C 153 29.300 29.300 29.928 -0.628 18356 1826 1 2 . 1 1 153 153 GLU H H 153 7.360 7.360 7.879 -0.519 18356 1827 1 2 . 1 1 154 154 LEU N N 154 121.200 121.200 122.425 -1.225 18356 1828 1 2 . 1 1 154 154 LEU HA H 154 3.530 3.530 3.801 -0.271 18356 1829 1 2 . 1 1 154 154 LEU C C 154 178.300 178.300 178.061 0.239 18356 1830 1 2 . 1 1 154 154 LEU CA C 154 57.300 57.300 58.218 -0.918 18356 1831 1 2 . 1 1 154 154 LEU CB C 154 40.500 40.500 41.902 -1.402 18356 1832 1 2 . 1 1 154 154 LEU H H 154 7.730 7.730 7.257 0.473 18356 1833 1 2 . 1 1 155 155 LEU N N 155 118.500 118.500 114.870 3.630 18356 1834 1 2 . 1 1 155 155 LEU HA H 155 3.410 3.410 4.128 -0.718 18356 1835 1 2 . 1 1 155 155 LEU C C 155 179.900 179.900 178.521 1.379 18356 1836 1 2 . 1 1 155 155 LEU CA C 155 57.600 57.600 57.384 0.216 18356 1837 1 2 . 1 1 155 155 LEU CB C 155 41.200 41.200 40.874 0.326 18356 1838 1 2 . 1 1 155 155 LEU H H 155 8.350 8.350 7.774 0.576 18356 1839 1 2 . 1 1 156 156 ASN N N 156 117.900 117.900 118.594 -0.694 18356 1840 1 2 . 1 1 156 156 ASN HA H 156 4.360 4.360 4.399 -0.039 18356 1841 1 2 . 1 1 156 156 ASN C C 156 178.000 178.000 177.185 0.815 18356 1842 1 2 . 1 1 156 156 ASN CA C 156 56.300 56.300 56.144 0.156 18356 1843 1 2 . 1 1 156 156 ASN CB C 156 38.400 38.400 38.378 0.022 18356 1844 1 2 . 1 1 156 156 ASN H H 156 7.750 7.750 7.732 0.018 18356 1845 1 2 . 1 1 157 157 LYS N N 157 119.800 119.800 118.902 0.898 18356 1846 1 2 . 1 1 157 157 LYS HA H 157 4.080 4.080 4.054 0.026 18356 1847 1 2 . 1 1 157 157 LYS C C 157 179.800 179.800 178.369 1.431 18356 1848 1 2 . 1 1 157 157 LYS CA C 157 59.100 59.100 58.628 0.472 18356 1849 1 2 . 1 1 157 157 LYS CB C 157 32.500 32.500 31.515 0.985 18356 1850 1 2 . 1 1 157 157 LYS H H 157 7.770 7.770 7.875 -0.105 18356 1851 1 2 . 1 1 158 158 LEU N N 158 120.900 120.900 120.233 0.667 18356 1852 1 2 . 1 1 158 158 LEU HA H 158 3.950 3.950 4.012 -0.062 18356 1853 1 2 . 1 1 158 158 LEU C C 158 179.000 179.000 177.681 1.319 18356 1854 1 2 . 1 1 158 158 LEU CA C 158 57.800 57.800 57.065 0.735 18356 1855 1 2 . 1 1 158 158 LEU CB C 158 41.200 41.200 41.423 -0.223 18356 1856 1 2 . 1 1 158 158 LEU H H 158 8.200 8.200 7.410 0.790 18356 1857 1 2 . 1 1 159 159 GLY N N 159 106.500 106.500 104.159 2.341 18356 1858 1 2 . 1 1 159 159 GLY C C 159 176.300 176.300 175.009 1.291 18356 1859 1 2 . 1 1 159 159 GLY CA C 159 46.900 46.900 45.506 1.394 18356 1860 1 2 . 1 1 159 159 GLY H H 159 8.290 8.290 7.515 0.775 18356 1861 1 2 . 1 1 160 160 GLU N N 160 120.700 120.700 122.163 -1.463 18356 1862 1 2 . 1 1 160 160 GLU HA H 160 4.070 4.070 4.047 0.023 18356 1863 1 2 . 1 1 160 160 GLU C C 160 177.800 177.800 178.901 -1.101 18356 1864 1 2 . 1 1 160 160 GLU CA C 160 58.300 58.300 59.441 -1.141 18356 1865 1 2 . 1 1 160 160 GLU CB C 160 30.000 30.000 29.717 0.283 18356 1866 1 2 . 1 1 160 160 GLU H H 160 7.850 7.850 7.691 0.159 18356 1867 1 2 . 1 1 161 161 LYS N N 161 118.100 118.100 118.876 -0.776 18356 1868 1 2 . 1 1 161 161 LYS HA H 161 4.070 4.070 4.105 -0.035 18356 1869 1 2 . 1 1 161 161 LYS C C 161 177.600 177.600 177.636 -0.036 18356 1870 1 2 . 1 1 161 161 LYS CA C 161 57.800 57.800 57.759 0.041 18356 1871 1 2 . 1 1 161 161 LYS CB C 161 33.200 33.200 31.772 1.428 18356 1872 1 2 . 1 1 161 161 LYS H H 161 7.660 7.660 7.654 0.006 18356 1873 1 2 . 1 1 162 162 TYR N N 162 115.400 115.400 120.754 -5.354 18356 1874 1 2 . 1 1 162 162 TYR HA H 162 4.750 4.750 4.265 0.485 18356 1875 1 2 . 1 1 162 162 TYR C C 162 176.000 176.000 175.775 0.225 18356 1876 1 2 . 1 1 162 162 TYR CA C 162 59.000 59.000 59.066 -0.066 18356 1877 1 2 . 1 1 162 162 TYR CB C 162 39.800 39.800 39.090 0.710 18356 1878 1 2 . 1 1 162 162 TYR H H 162 8.090 8.090 7.332 0.758 18356 1879 1 2 . 1 1 163 163 GLY N N 163 109.000 109.000 105.352 3.648 18356 1880 1 2 . 1 1 163 163 GLY C C 163 173.500 173.500 173.679 -0.179 18356 1881 1 2 . 1 1 163 163 GLY CA C 163 45.500 45.500 44.438 1.062 18356 1882 1 2 . 1 1 163 163 GLY H H 163 8.090 8.090 7.347 0.743 18356 1883 1 2 . 1 1 164 164 ASP N N 164 120.100 120.100 119.747 0.353 18356 1884 1 2 . 1 1 164 164 ASP HA H 164 4.640 4.640 4.323 0.317 18356 1885 1 2 . 1 1 164 164 ASP C C 164 175.300 175.300 173.853 1.447 18356 1886 1 2 . 1 1 164 164 ASP CA C 164 54.600 54.600 55.416 -0.816 18356 1887 1 2 . 1 1 164 164 ASP CB C 164 41.700 41.700 39.778 1.922 18356 1888 1 2 . 1 1 164 164 ASP H H 164 8.320 8.320 7.894 0.426 18356 1889 1 3 . 1 1 2 2 SER N N 2 115.100 115.100 119.617 -4.517 18356 1890 1 3 . 1 1 2 2 SER HA H 2 4.820 4.820 4.489 0.331 18356 1891 1 3 . 1 1 2 2 SER CA C 2 62.300 62.300 59.808 2.492 18356 1892 1 3 . 1 1 2 2 SER CB C 2 67.300 67.300 64.309 2.991 18356 1893 1 3 . 1 1 2 2 SER H H 2 8.350 8.350 8.669 -0.319 18356 1894 1 3 . 1 1 3 3 SER HA H 3 3.860 3.860 4.650 -0.790 18356 1895 1 3 . 1 1 3 3 SER CA C 3 55.800 55.800 57.948 -2.148 18356 1896 1 3 . 1 1 3 3 SER CB C 3 61.300 61.300 63.758 -2.458 18356 1897 1 3 . 1 1 4 4 GLY N N 4 110.700 110.700 111.420 -0.720 18356 1898 1 3 . 1 1 4 4 GLY C C 4 173.400 173.400 174.247 -0.847 18356 1899 1 3 . 1 1 4 4 GLY CA C 4 45.100 45.100 45.315 -0.215 18356 1900 1 3 . 1 1 4 4 GLY H H 4 8.320 8.320 8.297 0.023 18356 1901 1 3 . 1 1 5 5 VAL N N 5 119.400 119.400 120.142 -0.742 18356 1902 1 3 . 1 1 5 5 VAL HA H 5 4.200 4.200 3.951 0.249 18356 1903 1 3 . 1 1 5 5 VAL C C 5 175.300 175.300 176.621 -1.321 18356 1904 1 3 . 1 1 5 5 VAL CA C 5 61.700 61.700 63.665 -1.965 18356 1905 1 3 . 1 1 5 5 VAL CB C 5 33.100 33.100 31.598 1.502 18356 1906 1 3 . 1 1 5 5 VAL H H 5 7.810 7.810 7.769 0.041 18356 1907 1 3 . 1 1 6 6 MET N N 6 124.000 124.000 128.739 -4.739 18356 1908 1 3 . 1 1 6 6 MET HA H 6 4.650 4.650 4.560 0.090 18356 1909 1 3 . 1 1 6 6 MET C C 6 174.800 174.800 175.509 -0.709 18356 1910 1 3 . 1 1 6 6 MET CA C 6 54.200 54.200 55.129 -0.929 18356 1911 1 3 . 1 1 6 6 MET CB C 6 36.000 36.000 32.757 3.244 18356 1912 1 3 . 1 1 6 6 MET H H 6 8.180 8.180 8.605 -0.425 18356 1913 1 3 . 1 1 7 7 VAL N N 7 122.400 122.400 119.750 2.650 18356 1914 1 3 . 1 1 7 7 VAL HA H 7 4.090 4.090 4.317 -0.227 18356 1915 1 3 . 1 1 7 7 VAL C C 7 175.500 175.500 174.880 0.620 18356 1916 1 3 . 1 1 7 7 VAL CA C 7 62.300 62.300 60.731 1.569 18356 1917 1 3 . 1 1 7 7 VAL CB C 7 32.500 32.500 32.316 0.184 18356 1918 1 3 . 1 1 7 7 VAL H H 7 8.790 8.790 8.364 0.426 18356 1919 1 3 . 1 1 8 8 ASP N N 8 131.400 131.400 129.009 2.391 18356 1920 1 3 . 1 1 8 8 ASP HA H 8 4.710 4.710 4.797 -0.087 18356 1921 1 3 . 1 1 8 8 ASP C C 8 175.800 175.800 177.064 -1.264 18356 1922 1 3 . 1 1 8 8 ASP CA C 8 53.900 53.900 52.189 1.711 18356 1923 1 3 . 1 1 8 8 ASP CB C 8 44.800 44.800 42.662 2.138 18356 1924 1 3 . 1 1 8 8 ASP H H 8 8.800 8.800 8.542 0.258 18356 1925 1 3 . 1 1 9 9 PRO HA H 9 4.480 4.480 4.309 0.171 18356 1926 1 3 . 1 1 9 9 PRO CA C 9 63.000 63.000 64.020 -1.020 18356 1927 1 3 . 1 1 10 10 ASP N N 10 116.700 116.700 119.729 -3.029 18356 1928 1 3 . 1 1 10 10 ASP HA H 10 4.780 4.780 4.496 0.284 18356 1929 1 3 . 1 1 10 10 ASP C C 10 179.100 179.100 178.243 0.857 18356 1930 1 3 . 1 1 10 10 ASP CA C 10 56.200 56.200 55.911 0.289 18356 1931 1 3 . 1 1 10 10 ASP CB C 10 40.700 40.700 40.732 -0.032 18356 1932 1 3 . 1 1 10 10 ASP H H 10 9.060 9.060 7.867 1.193 18356 1933 1 3 . 1 1 11 11 VAL N N 11 122.600 122.600 120.208 2.392 18356 1934 1 3 . 1 1 11 11 VAL HA H 11 3.630 3.630 3.679 -0.049 18356 1935 1 3 . 1 1 11 11 VAL C C 11 176.900 176.900 178.044 -1.144 18356 1936 1 3 . 1 1 11 11 VAL CA C 11 67.400 67.400 66.273 1.127 18356 1937 1 3 . 1 1 11 11 VAL CB C 11 31.100 31.100 31.638 -0.538 18356 1938 1 3 . 1 1 11 11 VAL H H 11 8.510 8.510 7.663 0.847 18356 1939 1 3 . 1 1 12 12 GLN N N 12 117.400 117.400 118.084 -0.684 18356 1940 1 3 . 1 1 12 12 GLN HA H 12 4.030 4.030 4.196 -0.166 18356 1941 1 3 . 1 1 12 12 GLN C C 12 178.800 178.800 178.800 0.000 18356 1942 1 3 . 1 1 12 12 GLN CA C 12 59.800 59.800 58.746 1.054 18356 1943 1 3 . 1 1 12 12 GLN CB C 12 29.000 29.000 28.849 0.151 18356 1944 1 3 . 1 1 12 12 GLN H H 12 7.740 7.740 7.657 0.083 18356 1945 1 3 . 1 1 13 13 THR N N 13 113.600 113.600 115.950 -2.350 18356 1946 1 3 . 1 1 13 13 THR HA H 13 4.020 4.020 3.937 0.083 18356 1947 1 3 . 1 1 13 13 THR C C 13 177.600 177.600 176.736 0.864 18356 1948 1 3 . 1 1 13 13 THR CA C 13 66.100 66.100 66.686 -0.586 18356 1949 1 3 . 1 1 13 13 THR CB C 13 68.400 68.400 68.385 0.015 18356 1950 1 3 . 1 1 13 13 THR H H 13 7.910 7.910 7.735 0.175 18356 1951 1 3 . 1 1 14 14 SER N N 14 118.100 118.100 118.072 0.028 18356 1952 1 3 . 1 1 14 14 SER HA H 14 4.330 4.330 3.967 0.363 18356 1953 1 3 . 1 1 14 14 SER C C 14 175.900 175.900 176.192 -0.292 18356 1954 1 3 . 1 1 14 14 SER CA C 14 63.400 63.400 61.817 1.583 18356 1955 1 3 . 1 1 14 14 SER CB C 14 62.300 62.300 62.609 -0.309 18356 1956 1 3 . 1 1 14 14 SER H H 14 8.630 8.630 8.231 0.399 18356 1957 1 3 . 1 1 15 15 PHE N N 15 122.400 122.400 121.113 1.287 18356 1958 1 3 . 1 1 15 15 PHE HA H 15 4.260 4.260 4.683 -0.423 18356 1959 1 3 . 1 1 15 15 PHE C C 15 178.900 178.900 177.868 1.032 18356 1960 1 3 . 1 1 15 15 PHE CA C 15 62.200 62.200 60.516 1.684 18356 1961 1 3 . 1 1 15 15 PHE CB C 15 40.000 40.000 38.341 1.659 18356 1962 1 3 . 1 1 15 15 PHE H H 15 8.280 8.280 7.576 0.704 18356 1963 1 3 . 1 1 16 16 GLN N N 16 121.400 121.400 119.791 1.609 18356 1964 1 3 . 1 1 16 16 GLN HA H 16 3.970 3.970 4.087 -0.117 18356 1965 1 3 . 1 1 16 16 GLN C C 16 177.600 177.600 178.414 -0.814 18356 1966 1 3 . 1 1 16 16 GLN CA C 16 59.400 59.400 59.068 0.332 18356 1967 1 3 . 1 1 16 16 GLN CB C 16 28.100 28.100 28.091 0.009 18356 1968 1 3 . 1 1 16 16 GLN H H 16 8.600 8.600 7.856 0.744 18356 1969 1 3 . 1 1 17 17 LYS N N 17 117.000 117.000 117.596 -0.596 18356 1970 1 3 . 1 1 17 17 LYS HA H 17 4.180 4.180 4.432 -0.252 18356 1971 1 3 . 1 1 17 17 LYS C C 17 175.200 175.200 178.900 -3.700 18356 1972 1 3 . 1 1 17 17 LYS CA C 17 58.800 58.800 58.413 0.387 18356 1973 1 3 . 1 1 17 17 LYS CB C 17 33.300 33.300 31.861 1.439 18356 1974 1 3 . 1 1 17 17 LYS H H 17 7.440 7.440 7.392 0.048 18356 1975 1 3 . 1 1 18 18 LEU N N 18 118.900 118.900 123.404 -4.504 18356 1976 1 3 . 1 1 18 18 LEU HA H 18 4.440 4.440 4.385 0.055 18356 1977 1 3 . 1 1 18 18 LEU C C 18 173.600 173.600 178.472 -4.872 18356 1978 1 3 . 1 1 18 18 LEU CA C 18 57.200 57.200 57.722 -0.522 18356 1979 1 3 . 1 1 18 18 LEU CB C 18 44.200 44.200 42.574 1.626 18356 1980 1 3 . 1 1 18 18 LEU H H 18 7.510 7.510 7.620 -0.110 18356 1981 1 3 . 1 1 19 19 SER N N 19 110.200 110.200 112.381 -2.181 18356 1982 1 3 . 1 1 19 19 SER HA H 19 3.980 3.980 4.354 -0.374 18356 1983 1 3 . 1 1 19 19 SER C C 19 174.400 174.400 176.082 -1.682 18356 1984 1 3 . 1 1 19 19 SER CA C 19 59.500 59.500 60.995 -1.495 18356 1985 1 3 . 1 1 19 19 SER CB C 19 65.200 65.200 63.477 1.723 18356 1986 1 3 . 1 1 19 19 SER H H 19 7.860 7.860 8.342 -0.482 18356 1987 1 3 . 1 1 20 20 GLU N N 20 120.500 120.500 118.339 2.161 18356 1988 1 3 . 1 1 20 20 GLU HA H 20 4.530 4.530 4.420 0.110 18356 1989 1 3 . 1 1 20 20 GLU C C 20 176.100 176.100 177.469 -1.369 18356 1990 1 3 . 1 1 20 20 GLU CA C 20 55.400 55.400 56.732 -1.332 18356 1991 1 3 . 1 1 20 20 GLU CB C 20 31.700 31.700 30.530 1.169 18356 1992 1 3 . 1 1 20 20 GLU H H 20 7.990 7.990 7.603 0.387 18356 1993 1 3 . 1 1 21 21 GLY N N 21 107.000 107.000 109.402 -2.402 18356 1994 1 3 . 1 1 21 21 GLY C C 21 175.400 175.400 174.065 1.335 18356 1995 1 3 . 1 1 21 21 GLY CA C 21 46.800 46.800 44.597 2.203 18356 1996 1 3 . 1 1 21 21 GLY H H 21 8.480 8.480 8.081 0.399 18356 1997 1 3 . 1 1 22 22 ARG N N 22 124.100 124.100 124.025 0.075 18356 1998 1 3 . 1 1 22 22 ARG HA H 22 4.130 4.130 4.484 -0.354 18356 1999 1 3 . 1 1 22 22 ARG C C 22 175.900 175.900 177.863 -1.963 18356 2000 1 3 . 1 1 22 22 ARG CA C 22 56.900 56.900 56.737 0.163 18356 2001 1 3 . 1 1 22 22 ARG CB C 22 29.900 29.900 30.014 -0.114 18356 2002 1 3 . 1 1 22 22 ARG H H 22 8.680 8.680 8.811 -0.131 18356 2003 1 3 . 1 1 23 23 LYS N N 23 117.800 117.800 117.744 0.056 18356 2004 1 3 . 1 1 23 23 LYS HA H 23 3.950 3.950 4.265 -0.315 18356 2005 1 3 . 1 1 23 23 LYS C C 23 176.200 176.200 177.389 -1.189 18356 2006 1 3 . 1 1 23 23 LYS CA C 23 57.200 57.200 57.816 -0.616 18356 2007 1 3 . 1 1 23 23 LYS CB C 23 29.900 29.900 32.254 -2.354 18356 2008 1 3 . 1 1 23 23 LYS H H 23 8.130 8.130 8.283 -0.153 18356 2009 1 3 . 1 1 24 24 GLU N N 24 117.900 117.900 117.382 0.518 18356 2010 1 3 . 1 1 24 24 GLU HA H 24 3.910 3.910 4.219 -0.309 18356 2011 1 3 . 1 1 24 24 GLU C C 24 177.500 177.500 176.864 0.636 18356 2012 1 3 . 1 1 24 24 GLU CA C 24 58.500 58.500 57.197 1.303 18356 2013 1 3 . 1 1 24 24 GLU CB C 24 30.900 30.900 30.364 0.535 18356 2014 1 3 . 1 1 24 24 GLU H H 24 8.170 8.170 7.799 0.371 18356 2015 1 3 . 1 1 25 25 TYR N N 25 113.100 113.100 121.922 -8.822 18356 2016 1 3 . 1 1 25 25 TYR HA H 25 4.530 4.530 4.589 -0.059 18356 2017 1 3 . 1 1 25 25 TYR C C 25 173.600 173.600 173.765 -0.165 18356 2018 1 3 . 1 1 25 25 TYR CA C 25 55.300 55.300 56.834 -1.534 18356 2019 1 3 . 1 1 25 25 TYR CB C 25 40.200 40.200 40.312 -0.112 18356 2020 1 3 . 1 1 25 25 TYR H H 25 6.950 6.950 7.466 -0.516 18356 2021 1 3 . 1 1 26 26 ARG N N 26 120.500 120.500 127.017 -6.517 18356 2022 1 3 . 1 1 26 26 ARG HA H 26 4.660 4.660 3.712 0.948 18356 2023 1 3 . 1 1 26 26 ARG C C 26 174.600 174.600 174.486 0.114 18356 2024 1 3 . 1 1 26 26 ARG CA C 26 54.000 54.000 54.811 -0.811 18356 2025 1 3 . 1 1 26 26 ARG CB C 26 31.500 31.500 30.407 1.093 18356 2026 1 3 . 1 1 26 26 ARG H H 26 9.450 9.450 7.975 1.475 18356 2027 1 3 . 1 1 27 27 TYR N N 27 109.700 109.700 118.889 -9.189 18356 2028 1 3 . 1 1 27 27 TYR HA H 27 4.930 4.930 4.584 0.346 18356 2029 1 3 . 1 1 27 27 TYR C C 27 172.700 172.700 175.095 -2.395 18356 2030 1 3 . 1 1 27 27 TYR CA C 27 56.200 56.200 57.698 -1.498 18356 2031 1 3 . 1 1 27 27 TYR CB C 27 40.800 40.800 39.038 1.762 18356 2032 1 3 . 1 1 27 27 TYR H H 27 7.450 7.450 7.813 -0.363 18356 2033 1 3 . 1 1 28 28 ILE N N 28 117.400 117.400 121.077 -3.677 18356 2034 1 3 . 1 1 28 28 ILE HA H 28 4.780 4.780 4.441 0.339 18356 2035 1 3 . 1 1 28 28 ILE C C 28 174.400 174.400 175.367 -0.967 18356 2036 1 3 . 1 1 28 28 ILE CA C 28 60.200 60.200 59.289 0.911 18356 2037 1 3 . 1 1 28 28 ILE CB C 28 43.300 43.300 40.667 2.633 18356 2038 1 3 . 1 1 28 28 ILE H H 28 8.750 8.750 8.727 0.023 18356 2039 1 3 . 1 1 29 29 ILE N N 29 125.100 125.100 119.020 6.080 18356 2040 1 3 . 1 1 29 29 ILE HA H 29 4.670 4.670 5.064 -0.394 18356 2041 1 3 . 1 1 29 29 ILE C C 29 174.600 174.600 174.126 0.474 18356 2042 1 3 . 1 1 29 29 ILE CA C 29 60.800 60.800 59.763 1.037 18356 2043 1 3 . 1 1 29 29 ILE CB C 29 40.500 40.500 40.540 -0.040 18356 2044 1 3 . 1 1 29 29 ILE H H 29 9.180 9.180 8.311 0.869 18356 2045 1 3 . 1 1 30 30 PHE N N 30 126.100 126.100 123.280 2.820 18356 2046 1 3 . 1 1 30 30 PHE HA H 30 5.760 5.760 5.972 -0.212 18356 2047 1 3 . 1 1 30 30 PHE C C 30 174.100 174.100 175.228 -1.128 18356 2048 1 3 . 1 1 30 30 PHE CA C 30 55.900 55.900 56.477 -0.577 18356 2049 1 3 . 1 1 30 30 PHE CB C 30 42.300 42.300 42.729 -0.429 18356 2050 1 3 . 1 1 30 30 PHE H H 30 9.650 9.650 9.041 0.609 18356 2051 1 3 . 1 1 31 31 LYS N N 31 118.900 118.900 119.477 -0.577 18356 2052 1 3 . 1 1 31 31 LYS HA H 31 5.320 5.320 5.305 0.015 18356 2053 1 3 . 1 1 31 31 LYS C C 31 173.000 173.000 174.504 -1.504 18356 2054 1 3 . 1 1 31 31 LYS CA C 31 53.800 53.800 54.409 -0.609 18356 2055 1 3 . 1 1 31 31 LYS CB C 31 38.100 38.100 36.438 1.662 18356 2056 1 3 . 1 1 31 31 LYS H H 31 8.990 8.990 9.070 -0.080 18356 2057 1 3 . 1 1 32 32 ILE N N 32 120.500 120.500 121.361 -0.861 18356 2058 1 3 . 1 1 32 32 ILE HA H 32 4.780 4.780 4.948 -0.168 18356 2059 1 3 . 1 1 32 32 ILE C C 32 175.200 175.200 173.756 1.444 18356 2060 1 3 . 1 1 32 32 ILE CA C 32 60.700 60.700 59.576 1.124 18356 2061 1 3 . 1 1 32 32 ILE CB C 32 41.300 41.300 41.140 0.160 18356 2062 1 3 . 1 1 32 32 ILE H H 32 8.420 8.420 8.320 0.100 18356 2063 1 3 . 1 1 33 33 ASP N N 33 130.100 130.100 129.050 1.050 18356 2064 1 3 . 1 1 33 33 ASP HA H 33 4.880 4.880 4.735 0.145 18356 2065 1 3 . 1 1 33 33 ASP C C 33 175.300 175.300 176.192 -0.892 18356 2066 1 3 . 1 1 33 33 ASP CA C 33 53.500 53.500 53.676 -0.176 18356 2067 1 3 . 1 1 33 33 ASP CB C 33 44.500 44.500 43.891 0.610 18356 2068 1 3 . 1 1 33 33 ASP H H 33 9.270 9.270 8.160 1.110 18356 2069 1 3 . 1 1 34 34 GLU N N 34 123.600 123.600 123.812 -0.212 18356 2070 1 3 . 1 1 34 34 GLU HA H 34 3.730 3.730 4.129 -0.399 18356 2071 1 3 . 1 1 34 34 GLU C C 34 175.000 175.000 177.589 -2.589 18356 2072 1 3 . 1 1 34 34 GLU CA C 34 58.200 58.200 58.764 -0.564 18356 2073 1 3 . 1 1 34 34 GLU CB C 34 27.500 27.500 29.852 -2.352 18356 2074 1 3 . 1 1 34 34 GLU H H 34 9.040 9.040 8.866 0.174 18356 2075 1 3 . 1 1 35 35 ASN N N 35 114.200 114.200 117.100 -2.900 18356 2076 1 3 . 1 1 35 35 ASN HA H 35 4.380 4.380 4.632 -0.252 18356 2077 1 3 . 1 1 35 35 ASN C C 35 173.500 173.500 174.894 -1.394 18356 2078 1 3 . 1 1 35 35 ASN CA C 35 53.700 53.700 54.812 -1.112 18356 2079 1 3 . 1 1 35 35 ASN CB C 35 38.500 38.500 39.686 -1.186 18356 2080 1 3 . 1 1 35 35 ASN H H 35 8.570 8.570 8.757 -0.187 18356 2081 1 3 . 1 1 36 36 LYS N N 36 118.400 118.400 119.566 -1.166 18356 2082 1 3 . 1 1 36 36 LYS HA H 36 5.340 5.340 4.523 0.817 18356 2083 1 3 . 1 1 36 36 LYS C C 36 174.900 174.900 175.543 -0.643 18356 2084 1 3 . 1 1 36 36 LYS CA C 36 54.500 54.500 54.351 0.149 18356 2085 1 3 . 1 1 36 36 LYS CB C 36 36.100 36.100 34.033 2.067 18356 2086 1 3 . 1 1 36 36 LYS H H 36 7.750 7.750 7.553 0.197 18356 2087 1 3 . 1 1 37 37 VAL N N 37 122.900 122.900 122.163 0.737 18356 2088 1 3 . 1 1 37 37 VAL HA H 37 4.550 4.550 4.343 0.207 18356 2089 1 3 . 1 1 37 37 VAL C C 37 174.600 174.600 174.121 0.479 18356 2090 1 3 . 1 1 37 37 VAL CA C 37 62.000 62.000 61.304 0.696 18356 2091 1 3 . 1 1 37 37 VAL CB C 37 32.300 32.300 29.712 2.587 18356 2092 1 3 . 1 1 37 37 VAL H H 37 8.790 8.790 8.812 -0.022 18356 2093 1 3 . 1 1 38 38 ILE N N 38 119.600 119.600 124.622 -5.022 18356 2094 1 3 . 1 1 38 38 ILE HA H 38 4.880 4.880 5.062 -0.182 18356 2095 1 3 . 1 1 38 38 ILE C C 38 176.200 176.200 175.835 0.365 18356 2096 1 3 . 1 1 38 38 ILE CA C 38 59.300 59.300 59.577 -0.277 18356 2097 1 3 . 1 1 38 38 ILE CB C 38 42.800 42.800 42.593 0.207 18356 2098 1 3 . 1 1 38 38 ILE H H 38 9.230 9.230 7.923 1.307 18356 2099 1 3 . 1 1 39 39 VAL N N 39 121.300 121.300 127.268 -5.968 18356 2100 1 3 . 1 1 39 39 VAL HA H 39 3.850 3.850 4.464 -0.614 18356 2101 1 3 . 1 1 39 39 VAL C C 39 175.300 175.300 175.598 -0.298 18356 2102 1 3 . 1 1 39 39 VAL CA C 39 63.900 63.900 62.886 1.014 18356 2103 1 3 . 1 1 39 39 VAL CB C 39 32.100 32.100 31.312 0.788 18356 2104 1 3 . 1 1 39 39 VAL H H 39 9.070 9.070 8.555 0.515 18356 2105 1 3 . 1 1 40 40 GLU N N 40 131.200 131.200 128.769 2.431 18356 2106 1 3 . 1 1 40 40 GLU HA H 40 4.270 4.270 4.712 -0.442 18356 2107 1 3 . 1 1 40 40 GLU C C 40 176.000 176.000 174.855 1.145 18356 2108 1 3 . 1 1 40 40 GLU CA C 40 57.200 57.200 54.749 2.451 18356 2109 1 3 . 1 1 40 40 GLU CB C 40 32.300 32.300 32.781 -0.480 18356 2110 1 3 . 1 1 40 40 GLU H H 40 9.230 9.230 8.346 0.884 18356 2111 1 3 . 1 1 41 41 ALA N N 41 118.100 118.100 124.166 -6.066 18356 2112 1 3 . 1 1 41 41 ALA HA H 41 4.440 4.440 4.076 0.364 18356 2113 1 3 . 1 1 41 41 ALA C C 41 173.300 173.300 176.022 -2.722 18356 2114 1 3 . 1 1 41 41 ALA CA C 41 52.000 52.000 50.887 1.113 18356 2115 1 3 . 1 1 41 41 ALA CB C 41 21.800 21.800 19.148 2.652 18356 2116 1 3 . 1 1 41 41 ALA H H 41 7.670 7.670 8.384 -0.714 18356 2117 1 3 . 1 1 42 42 ALA N N 42 127.600 127.600 127.703 -0.103 18356 2118 1 3 . 1 1 42 42 ALA HA H 42 4.520 4.520 4.863 -0.343 18356 2119 1 3 . 1 1 42 42 ALA C C 42 174.900 174.900 175.339 -0.439 18356 2120 1 3 . 1 1 42 42 ALA CA C 42 51.700 51.700 50.129 1.571 18356 2121 1 3 . 1 1 42 42 ALA CB C 42 19.100 19.100 22.201 -3.101 18356 2122 1 3 . 1 1 42 42 ALA H H 42 8.480 8.480 8.912 -0.432 18356 2123 1 3 . 1 1 43 43 VAL N N 43 124.900 124.900 117.345 7.555 18356 2124 1 3 . 1 1 43 43 VAL HA H 43 4.350 4.350 4.299 0.051 18356 2125 1 3 . 1 1 43 43 VAL C C 43 176.100 176.100 175.719 0.381 18356 2126 1 3 . 1 1 43 43 VAL CA C 43 62.100 62.100 60.899 1.201 18356 2127 1 3 . 1 1 43 43 VAL CB C 43 34.300 34.300 32.938 1.362 18356 2128 1 3 . 1 1 43 43 VAL H H 43 7.820 7.820 8.225 -0.405 18356 2129 1 3 . 1 1 44 44 THR N N 44 119.400 119.400 113.483 5.917 18356 2130 1 3 . 1 1 44 44 THR HA H 44 4.800 4.800 4.373 0.427 18356 2131 1 3 . 1 1 44 44 THR C C 44 174.300 174.300 175.539 -1.239 18356 2132 1 3 . 1 1 44 44 THR CA C 44 60.300 60.300 61.370 -1.070 18356 2133 1 3 . 1 1 44 44 THR CB C 44 71.200 71.200 70.205 0.995 18356 2134 1 3 . 1 1 44 44 THR H H 44 8.670 8.670 8.098 0.572 18356 2135 1 3 . 1 1 45 45 GLN N N 45 119.800 119.800 121.960 -2.160 18356 2136 1 3 . 1 1 45 45 GLN HA H 45 4.010 4.010 4.182 -0.172 18356 2137 1 3 . 1 1 45 45 GLN C C 45 179.600 179.600 177.378 2.222 18356 2138 1 3 . 1 1 45 45 GLN CA C 45 59.000 59.000 59.119 -0.119 18356 2139 1 3 . 1 1 45 45 GLN CB C 45 27.600 27.600 28.391 -0.791 18356 2140 1 3 . 1 1 45 45 GLN H H 45 8.660 8.660 9.012 -0.352 18356 2141 1 3 . 1 1 46 46 ASP N N 46 117.300 117.300 119.469 -2.169 18356 2142 1 3 . 1 1 46 46 ASP HA H 46 4.390 4.390 4.236 0.154 18356 2143 1 3 . 1 1 46 46 ASP C C 46 178.900 178.900 177.454 1.446 18356 2144 1 3 . 1 1 46 46 ASP CA C 46 57.100 57.100 56.769 0.331 18356 2145 1 3 . 1 1 46 46 ASP CB C 46 40.800 40.800 39.807 0.993 18356 2146 1 3 . 1 1 46 46 ASP H H 46 8.430 8.430 8.697 -0.267 18356 2147 1 3 . 1 1 47 47 GLN N N 47 118.900 118.900 117.832 1.068 18356 2148 1 3 . 1 1 47 47 GLN HA H 47 4.030 4.030 4.317 -0.287 18356 2149 1 3 . 1 1 47 47 GLN C C 47 178.000 178.000 177.599 0.401 18356 2150 1 3 . 1 1 47 47 GLN CA C 47 57.800 57.800 57.690 0.110 18356 2151 1 3 . 1 1 47 47 GLN CB C 47 29.100 29.100 28.095 1.005 18356 2152 1 3 . 1 1 47 47 GLN H H 47 7.830 7.830 7.572 0.258 18356 2153 1 3 . 1 1 48 48 LEU N N 48 118.100 118.100 118.529 -0.429 18356 2154 1 3 . 1 1 48 48 LEU HA H 48 4.180 4.180 4.217 -0.037 18356 2155 1 3 . 1 1 48 48 LEU C C 48 177.600 177.600 178.108 -0.508 18356 2156 1 3 . 1 1 48 48 LEU CA C 48 56.300 56.300 55.893 0.407 18356 2157 1 3 . 1 1 48 48 LEU CB C 48 43.100 43.100 42.143 0.957 18356 2158 1 3 . 1 1 48 48 LEU H H 48 7.560 7.560 7.808 -0.248 18356 2159 1 3 . 1 1 49 49 GLY N N 49 105.600 105.600 105.941 -0.341 18356 2160 1 3 . 1 1 49 49 GLY C C 49 174.700 174.700 174.307 0.393 18356 2161 1 3 . 1 1 49 49 GLY CA C 49 47.000 47.000 45.448 1.552 18356 2162 1 3 . 1 1 49 49 GLY H H 49 7.570 7.570 7.783 -0.213 18356 2163 1 3 . 1 1 50 50 ILE N N 50 117.700 117.700 120.565 -2.865 18356 2164 1 3 . 1 1 50 50 ILE HA H 50 4.340 4.340 4.468 -0.128 18356 2165 1 3 . 1 1 50 50 ILE C C 50 176.500 176.500 175.706 0.794 18356 2166 1 3 . 1 1 50 50 ILE CA C 50 59.900 59.900 59.305 0.595 18356 2167 1 3 . 1 1 50 50 ILE CB C 50 38.900 38.900 40.450 -1.550 18356 2168 1 3 . 1 1 50 50 ILE H H 50 7.940 7.940 8.123 -0.183 18356 2169 1 3 . 1 1 51 51 THR N N 51 117.500 117.500 115.884 1.616 18356 2170 1 3 . 1 1 51 51 THR HA H 51 4.420 4.420 4.227 0.193 18356 2171 1 3 . 1 1 51 51 THR C C 51 174.900 174.900 175.155 -0.255 18356 2172 1 3 . 1 1 51 51 THR CA C 51 61.700 61.700 64.748 -3.048 18356 2173 1 3 . 1 1 51 51 THR CB C 51 69.900 69.900 69.462 0.438 18356 2174 1 3 . 1 1 51 51 THR H H 51 8.480 8.480 8.684 -0.204 18356 2175 1 3 . 1 1 52 52 GLY N N 52 111.200 111.200 108.965 2.235 18356 2176 1 3 . 1 1 52 52 GLY C C 52 172.700 172.700 172.667 0.033 18356 2177 1 3 . 1 1 52 52 GLY CA C 52 44.600 44.600 44.882 -0.282 18356 2178 1 3 . 1 1 52 52 GLY H H 52 8.080 8.080 7.914 0.166 18356 2179 1 3 . 1 1 53 53 ASP N N 53 120.800 120.800 124.429 -3.629 18356 2180 1 3 . 1 1 53 53 ASP HA H 53 4.660 4.660 4.983 -0.323 18356 2181 1 3 . 1 1 53 53 ASP C C 53 177.800 177.800 175.428 2.372 18356 2182 1 3 . 1 1 53 53 ASP CA C 53 53.900 53.900 54.120 -0.220 18356 2183 1 3 . 1 1 53 53 ASP CB C 53 42.700 42.700 40.415 2.285 18356 2184 1 3 . 1 1 53 53 ASP H H 53 8.490 8.490 8.479 0.011 18356 2185 1 3 . 1 1 54 54 ASP N N 54 124.100 124.100 124.753 -0.653 18356 2186 1 3 . 1 1 54 54 ASP HA H 54 4.630 4.630 4.750 -0.120 18356 2187 1 3 . 1 1 54 54 ASP C C 54 177.100 177.100 177.066 0.034 18356 2188 1 3 . 1 1 54 54 ASP CA C 54 56.600 56.600 55.474 1.126 18356 2189 1 3 . 1 1 54 54 ASP CB C 54 42.800 42.800 43.100 -0.300 18356 2190 1 3 . 1 1 54 54 ASP H H 54 8.500 8.500 8.739 -0.239 18356 2191 1 3 . 1 1 55 55 TYR N N 55 114.900 114.900 119.324 -4.424 18356 2192 1 3 . 1 1 55 55 TYR HA H 55 4.560 4.560 4.322 0.238 18356 2193 1 3 . 1 1 55 55 TYR C C 55 178.900 178.900 176.686 2.214 18356 2194 1 3 . 1 1 55 55 TYR CA C 55 62.400 62.400 60.304 2.096 18356 2195 1 3 . 1 1 55 55 TYR CB C 55 37.300 37.300 37.504 -0.204 18356 2196 1 3 . 1 1 55 55 TYR H H 55 8.350 8.350 7.946 0.404 18356 2197 1 3 . 1 1 56 56 ASP N N 56 119.600 119.600 119.383 0.217 18356 2198 1 3 . 1 1 56 56 ASP HA H 56 4.560 4.560 4.170 0.390 18356 2199 1 3 . 1 1 56 56 ASP C C 56 177.300 177.300 177.695 -0.395 18356 2200 1 3 . 1 1 56 56 ASP CA C 56 57.200 57.200 57.658 -0.458 18356 2201 1 3 . 1 1 56 56 ASP CB C 56 40.600 40.600 40.709 -0.109 18356 2202 1 3 . 1 1 56 56 ASP H H 56 8.320 8.320 7.244 1.076 18356 2203 1 3 . 1 1 57 57 ASP N N 57 116.600 116.600 116.896 -0.296 18356 2204 1 3 . 1 1 57 57 ASP HA H 57 4.940 4.940 4.482 0.458 18356 2205 1 3 . 1 1 57 57 ASP C C 57 178.100 178.100 177.564 0.536 18356 2206 1 3 . 1 1 57 57 ASP CA C 57 52.400 52.400 56.421 -4.021 18356 2207 1 3 . 1 1 57 57 ASP CB C 57 41.100 41.100 41.215 -0.115 18356 2208 1 3 . 1 1 57 57 ASP H H 57 7.740 7.740 7.998 -0.258 18356 2209 1 3 . 1 1 58 58 SER N N 58 117.600 117.600 113.054 4.546 18356 2210 1 3 . 1 1 58 58 SER HA H 58 4.800 4.800 4.569 0.231 18356 2211 1 3 . 1 1 58 58 SER C C 58 174.600 174.600 175.973 -1.373 18356 2212 1 3 . 1 1 58 58 SER CA C 58 60.200 60.200 59.068 1.132 18356 2213 1 3 . 1 1 58 58 SER CB C 58 63.000 63.000 64.485 -1.485 18356 2214 1 3 . 1 1 58 58 SER H H 58 8.130 8.130 7.779 0.351 18356 2215 1 3 . 1 1 59 59 SER N N 59 105.400 105.400 114.688 -9.288 18356 2216 1 3 . 1 1 59 59 SER HA H 59 4.580 4.580 4.166 0.414 18356 2217 1 3 . 1 1 59 59 SER C C 59 173.200 173.200 174.832 -1.632 18356 2218 1 3 . 1 1 59 59 SER CA C 59 60.500 60.500 61.579 -1.079 18356 2219 1 3 . 1 1 59 59 SER CB C 59 66.100 66.100 61.435 4.665 18356 2220 1 3 . 1 1 59 59 SER H H 59 9.010 9.010 8.704 0.306 18356 2221 1 3 . 1 1 60 60 LYS N N 60 123.100 123.100 121.242 1.858 18356 2222 1 3 . 1 1 60 60 LYS HA H 60 4.080 4.080 4.253 -0.173 18356 2223 1 3 . 1 1 60 60 LYS C C 60 176.500 176.500 178.190 -1.690 18356 2224 1 3 . 1 1 60 60 LYS CA C 60 61.000 61.000 57.915 3.085 18356 2225 1 3 . 1 1 60 60 LYS CB C 60 32.800 32.800 32.785 0.015 18356 2226 1 3 . 1 1 60 60 LYS H H 60 7.450 7.450 7.993 -0.543 18356 2227 1 3 . 1 1 61 61 ALA N N 61 120.700 120.700 121.507 -0.807 18356 2228 1 3 . 1 1 61 61 ALA HA H 61 4.130 4.130 4.552 -0.422 18356 2229 1 3 . 1 1 61 61 ALA C C 61 181.800 181.800 178.890 2.910 18356 2230 1 3 . 1 1 61 61 ALA CA C 61 55.500 55.500 54.959 0.541 18356 2231 1 3 . 1 1 61 61 ALA CB C 61 17.900 17.900 18.267 -0.367 18356 2232 1 3 . 1 1 61 61 ALA H H 61 8.800 8.800 7.859 0.941 18356 2233 1 3 . 1 1 62 62 ALA N N 62 119.900 119.900 121.259 -1.359 18356 2234 1 3 . 1 1 62 62 ALA HA H 62 4.040 4.040 4.150 -0.110 18356 2235 1 3 . 1 1 62 62 ALA C C 62 178.600 178.600 179.214 -0.614 18356 2236 1 3 . 1 1 62 62 ALA CA C 62 55.400 55.400 54.501 0.899 18356 2237 1 3 . 1 1 62 62 ALA CB C 62 19.700 19.700 18.497 1.203 18356 2238 1 3 . 1 1 62 62 ALA H H 62 8.760 8.760 8.382 0.378 18356 2239 1 3 . 1 1 63 63 PHE N N 63 120.400 120.400 118.500 1.900 18356 2240 1 3 . 1 1 63 63 PHE HA H 63 3.660 3.660 4.412 -0.752 18356 2241 1 3 . 1 1 63 63 PHE C C 63 177.300 177.300 176.638 0.662 18356 2242 1 3 . 1 1 63 63 PHE CA C 63 62.200 62.200 61.034 1.166 18356 2243 1 3 . 1 1 63 63 PHE CB C 63 39.600 39.600 39.991 -0.391 18356 2244 1 3 . 1 1 63 63 PHE H H 63 9.380 9.380 8.566 0.814 18356 2245 1 3 . 1 1 64 64 ASP N N 64 119.700 119.700 120.191 -0.491 18356 2246 1 3 . 1 1 64 64 ASP HA H 64 4.410 4.410 4.199 0.211 18356 2247 1 3 . 1 1 64 64 ASP C C 64 180.200 180.200 178.527 1.673 18356 2248 1 3 . 1 1 64 64 ASP CA C 64 57.700 57.700 57.957 -0.257 18356 2249 1 3 . 1 1 64 64 ASP CB C 64 39.600 39.600 40.622 -1.022 18356 2250 1 3 . 1 1 64 64 ASP H H 64 9.180 9.180 7.974 1.206 18356 2251 1 3 . 1 1 65 65 LYS N N 65 119.800 119.800 118.379 1.421 18356 2252 1 3 . 1 1 65 65 LYS HA H 65 4.080 4.080 4.169 -0.089 18356 2253 1 3 . 1 1 65 65 LYS C C 65 179.100 179.100 178.273 0.827 18356 2254 1 3 . 1 1 65 65 LYS CA C 65 59.600 59.600 58.198 1.402 18356 2255 1 3 . 1 1 65 65 LYS CB C 65 32.500 32.500 31.830 0.670 18356 2256 1 3 . 1 1 65 65 LYS H H 65 7.420 7.420 8.009 -0.589 18356 2257 1 3 . 1 1 66 66 PHE N N 66 123.400 123.400 121.626 1.774 18356 2258 1 3 . 1 1 66 66 PHE HA H 66 4.340 4.340 4.197 0.143 18356 2259 1 3 . 1 1 66 66 PHE C C 66 175.900 175.900 177.064 -1.164 18356 2260 1 3 . 1 1 66 66 PHE CA C 66 59.900 59.900 61.091 -1.191 18356 2261 1 3 . 1 1 66 66 PHE CB C 66 38.300 38.300 39.306 -1.006 18356 2262 1 3 . 1 1 66 66 PHE H H 66 8.000 8.000 7.519 0.481 18356 2263 1 3 . 1 1 67 67 VAL N N 67 120.200 120.200 117.393 2.807 18356 2264 1 3 . 1 1 67 67 VAL HA H 67 2.600 2.600 3.515 -0.915 18356 2265 1 3 . 1 1 67 67 VAL C C 67 177.700 177.700 176.853 0.847 18356 2266 1 3 . 1 1 67 67 VAL CA C 67 67.100 67.100 64.134 2.966 18356 2267 1 3 . 1 1 67 67 VAL CB C 67 31.700 31.700 31.730 -0.030 18356 2268 1 3 . 1 1 67 67 VAL H H 67 8.500 8.500 8.033 0.467 18356 2269 1 3 . 1 1 68 68 GLU N N 68 118.300 118.300 119.458 -1.158 18356 2270 1 3 . 1 1 68 68 GLU HA H 68 3.800 3.800 3.942 -0.142 18356 2271 1 3 . 1 1 68 68 GLU C C 68 178.800 178.800 178.679 0.121 18356 2272 1 3 . 1 1 68 68 GLU CA C 68 59.500 59.500 58.940 0.560 18356 2273 1 3 . 1 1 68 68 GLU CB C 68 29.400 29.400 29.277 0.123 18356 2274 1 3 . 1 1 68 68 GLU H H 68 7.510 7.510 7.415 0.095 18356 2275 1 3 . 1 1 69 69 ASP N N 69 121.400 121.400 118.783 2.617 18356 2276 1 3 . 1 1 69 69 ASP HA H 69 4.360 4.360 4.438 -0.078 18356 2277 1 3 . 1 1 69 69 ASP C C 69 178.100 178.100 178.229 -0.129 18356 2278 1 3 . 1 1 69 69 ASP CA C 69 56.500 56.500 56.128 0.372 18356 2279 1 3 . 1 1 69 69 ASP CB C 69 40.900 40.900 40.444 0.456 18356 2280 1 3 . 1 1 69 69 ASP H H 69 7.750 7.750 7.640 0.110 18356 2281 1 3 . 1 1 70 70 VAL N N 70 117.600 117.600 119.034 -1.434 18356 2282 1 3 . 1 1 70 70 VAL HA H 70 3.050 3.050 3.454 -0.404 18356 2283 1 3 . 1 1 70 70 VAL C C 70 179.900 179.900 177.791 2.109 18356 2284 1 3 . 1 1 70 70 VAL CA C 70 67.500 67.500 65.289 2.211 18356 2285 1 3 . 1 1 70 70 VAL CB C 70 32.400 32.400 31.278 1.122 18356 2286 1 3 . 1 1 70 70 VAL H H 70 8.230 8.230 7.038 1.192 18356 2287 1 3 . 1 1 71 71 LYS N N 71 120.900 120.900 120.225 0.675 18356 2288 1 3 . 1 1 71 71 LYS HA H 71 3.450 3.450 3.971 -0.521 18356 2289 1 3 . 1 1 71 71 LYS C C 71 177.700 177.700 178.357 -0.657 18356 2290 1 3 . 1 1 71 71 LYS CA C 71 61.900 61.900 59.016 2.884 18356 2291 1 3 . 1 1 71 71 LYS CB C 71 32.400 32.400 31.426 0.974 18356 2292 1 3 . 1 1 71 71 LYS H H 71 8.900 8.900 7.511 1.389 18356 2293 1 3 . 1 1 72 72 SER N N 72 114.200 114.200 116.650 -2.450 18356 2294 1 3 . 1 1 72 72 SER HA H 72 4.340 4.340 4.179 0.161 18356 2295 1 3 . 1 1 72 72 SER C C 72 178.300 178.300 176.538 1.762 18356 2296 1 3 . 1 1 72 72 SER CA C 72 61.500 61.500 60.983 0.517 18356 2297 1 3 . 1 1 72 72 SER CB C 72 63.000 63.000 62.926 0.074 18356 2298 1 3 . 1 1 72 72 SER H H 72 8.000 8.000 8.424 -0.424 18356 2299 1 3 . 1 1 73 73 ARG N N 73 119.700 119.700 119.645 0.055 18356 2300 1 3 . 1 1 73 73 ARG HA H 73 4.160 4.160 4.023 0.137 18356 2301 1 3 . 1 1 73 73 ARG C C 73 177.000 177.000 176.555 0.445 18356 2302 1 3 . 1 1 73 73 ARG CA C 73 58.700 58.700 59.063 -0.363 18356 2303 1 3 . 1 1 73 73 ARG CB C 73 30.300 30.300 30.599 -0.299 18356 2304 1 3 . 1 1 73 73 ARG H H 73 8.430 8.430 7.651 0.779 18356 2305 1 3 . 1 1 74 74 THR N N 74 103.500 103.500 105.203 -1.703 18356 2306 1 3 . 1 1 74 74 THR HA H 74 4.210 4.210 4.823 -0.613 18356 2307 1 3 . 1 1 74 74 THR C C 74 173.500 173.500 173.858 -0.358 18356 2308 1 3 . 1 1 74 74 THR CA C 74 60.300 60.300 60.349 -0.049 18356 2309 1 3 . 1 1 74 74 THR CB C 74 70.100 70.100 69.088 1.012 18356 2310 1 3 . 1 1 74 74 THR H H 74 7.400 7.400 7.582 -0.182 18356 2311 1 3 . 1 1 75 75 ASP N N 75 121.300 121.300 123.378 -2.078 18356 2312 1 3 . 1 1 75 75 ASP HA H 75 4.280 4.280 4.406 -0.126 18356 2313 1 3 . 1 1 75 75 ASP C C 75 176.500 176.500 177.144 -0.644 18356 2314 1 3 . 1 1 75 75 ASP CA C 75 55.300 55.300 56.486 -1.185 18356 2315 1 3 . 1 1 75 75 ASP CB C 75 38.400 38.400 41.533 -3.133 18356 2316 1 3 . 1 1 75 75 ASP H H 75 7.900 7.900 7.722 0.178 18356 2317 1 3 . 1 1 76 76 ASN N N 76 116.400 116.400 116.646 -0.246 18356 2318 1 3 . 1 1 76 76 ASN HA H 76 4.000 4.000 4.610 -0.610 18356 2319 1 3 . 1 1 76 76 ASN C C 76 173.600 173.600 175.661 -2.061 18356 2320 1 3 . 1 1 76 76 ASN CA C 76 54.000 54.000 54.812 -0.812 18356 2321 1 3 . 1 1 76 76 ASN CB C 76 36.600 36.600 39.583 -2.983 18356 2322 1 3 . 1 1 76 76 ASN H H 76 9.070 9.070 8.414 0.656 18356 2323 1 3 . 1 1 77 77 LEU N N 77 112.300 112.300 113.985 -1.685 18356 2324 1 3 . 1 1 77 77 LEU HA H 77 3.670 3.670 4.837 -1.167 18356 2325 1 3 . 1 1 77 77 LEU C C 77 175.200 175.200 174.908 0.292 18356 2326 1 3 . 1 1 77 77 LEU CA C 77 55.900 55.900 53.790 2.110 18356 2327 1 3 . 1 1 77 77 LEU CB C 77 37.900 37.900 43.112 -5.212 18356 2328 1 3 . 1 1 77 77 LEU H H 77 7.840 7.840 7.546 0.294 18356 2329 1 3 . 1 1 78 78 THR N N 78 106.000 106.000 116.974 -10.974 18356 2330 1 3 . 1 1 78 78 THR HA H 78 4.220 4.220 4.807 -0.587 18356 2331 1 3 . 1 1 78 78 THR C C 78 172.200 172.200 174.099 -1.899 18356 2332 1 3 . 1 1 78 78 THR CA C 78 60.600 60.600 62.730 -2.130 18356 2333 1 3 . 1 1 78 78 THR CB C 78 69.300 69.300 67.934 1.366 18356 2334 1 3 . 1 1 78 78 THR H H 78 8.240 8.240 8.282 -0.042 18356 2335 1 3 . 1 1 79 79 ASP N N 79 118.600 118.600 123.995 -5.395 18356 2336 1 3 . 1 1 79 79 ASP HA H 79 4.730 4.730 4.777 -0.047 18356 2337 1 3 . 1 1 79 79 ASP C C 79 173.000 173.000 175.022 -2.022 18356 2338 1 3 . 1 1 79 79 ASP CA C 79 51.500 51.500 52.169 -0.669 18356 2339 1 3 . 1 1 79 79 ASP CB C 79 44.300 44.300 43.397 0.903 18356 2340 1 3 . 1 1 79 79 ASP H H 79 7.490 7.490 7.836 -0.346 18356 2341 1 3 . 1 1 80 80 CYS N N 80 115.900 115.900 118.753 -2.853 18356 2342 1 3 . 1 1 80 80 CYS HA H 80 4.470 4.470 4.474 -0.005 18356 2343 1 3 . 1 1 80 80 CYS C C 80 174.000 174.000 174.161 -0.161 18356 2344 1 3 . 1 1 80 80 CYS CA C 80 56.300 56.300 58.620 -2.320 18356 2345 1 3 . 1 1 80 80 CYS CB C 80 29.500 29.500 27.023 2.477 18356 2346 1 3 . 1 1 80 80 CYS H H 80 8.480 8.480 8.214 0.266 18356 2347 1 3 . 1 1 81 81 ARG N N 81 115.600 115.600 123.604 -8.004 18356 2348 1 3 . 1 1 81 81 ARG HA H 81 4.680 4.680 4.874 -0.194 18356 2349 1 3 . 1 1 81 81 ARG C C 81 175.500 175.500 174.268 1.232 18356 2350 1 3 . 1 1 81 81 ARG CA C 81 54.200 54.200 54.276 -0.076 18356 2351 1 3 . 1 1 81 81 ARG CB C 81 39.000 39.000 34.245 4.755 18356 2352 1 3 . 1 1 81 81 ARG H H 81 8.380 8.380 8.590 -0.210 18356 2353 1 3 . 1 1 82 82 TYR N N 82 114.200 114.200 121.751 -7.551 18356 2354 1 3 . 1 1 82 82 TYR HA H 82 5.780 5.780 5.043 0.737 18356 2355 1 3 . 1 1 82 82 TYR C C 82 175.200 175.200 174.496 0.704 18356 2356 1 3 . 1 1 82 82 TYR CA C 82 55.200 55.200 56.239 -1.039 18356 2357 1 3 . 1 1 82 82 TYR CB C 82 42.200 42.200 41.610 0.590 18356 2358 1 3 . 1 1 82 82 TYR H H 82 8.170 8.170 9.339 -1.169 18356 2359 1 3 . 1 1 83 83 ALA N N 83 121.300 121.300 125.162 -3.862 18356 2360 1 3 . 1 1 83 83 ALA HA H 83 5.730 5.730 4.849 0.880 18356 2361 1 3 . 1 1 83 83 ALA C C 83 175.900 175.900 174.810 1.090 18356 2362 1 3 . 1 1 83 83 ALA CA C 83 52.000 52.000 50.879 1.121 18356 2363 1 3 . 1 1 83 83 ALA CB C 83 24.300 24.300 21.261 3.039 18356 2364 1 3 . 1 1 83 83 ALA H H 83 8.780 8.780 8.424 0.356 18356 2365 1 3 . 1 1 84 84 VAL N N 84 111.700 111.700 124.285 -12.585 18356 2366 1 3 . 1 1 84 84 VAL HA H 84 6.180 6.180 4.940 1.240 18356 2367 1 3 . 1 1 84 84 VAL C C 84 176.900 176.900 174.771 2.129 18356 2368 1 3 . 1 1 84 84 VAL CA C 84 58.800 58.800 61.578 -2.778 18356 2369 1 3 . 1 1 84 84 VAL CB C 84 35.600 35.600 34.181 1.419 18356 2370 1 3 . 1 1 84 84 VAL H H 84 9.150 9.150 8.563 0.587 18356 2371 1 3 . 1 1 85 85 PHE N N 85 121.600 121.600 120.910 0.690 18356 2372 1 3 . 1 1 85 85 PHE HA H 85 4.710 4.710 4.860 -0.150 18356 2373 1 3 . 1 1 85 85 PHE C C 85 176.500 176.500 172.745 3.755 18356 2374 1 3 . 1 1 85 85 PHE CA C 85 57.200 57.200 56.407 0.793 18356 2375 1 3 . 1 1 85 85 PHE CB C 85 43.900 43.900 40.690 3.210 18356 2376 1 3 . 1 1 85 85 PHE H H 85 8.780 8.780 7.733 1.047 18356 2377 1 3 . 1 1 86 86 ASP N N 86 126.700 126.700 120.484 6.216 18356 2378 1 3 . 1 1 86 86 ASP HA H 86 4.830 4.830 4.739 0.091 18356 2379 1 3 . 1 1 86 86 ASP C C 86 171.800 171.800 174.682 -2.882 18356 2380 1 3 . 1 1 86 86 ASP CA C 86 54.300 54.300 55.194 -0.894 18356 2381 1 3 . 1 1 86 86 ASP CB C 86 40.300 40.300 42.093 -1.794 18356 2382 1 3 . 1 1 86 86 ASP H H 86 7.490 7.490 8.382 -0.892 18356 2383 1 3 . 1 1 87 87 PHE N N 87 135.000 135.000 123.471 11.529 18356 2384 1 3 . 1 1 87 87 PHE HA H 87 3.980 3.980 4.349 -0.369 18356 2385 1 3 . 1 1 87 87 PHE C C 87 173.600 173.600 174.218 -0.618 18356 2386 1 3 . 1 1 87 87 PHE CA C 87 59.700 59.700 56.333 3.367 18356 2387 1 3 . 1 1 87 87 PHE CB C 87 42.900 42.900 42.324 0.576 18356 2388 1 3 . 1 1 87 87 PHE H H 87 9.600 9.600 9.008 0.592 18356 2389 1 3 . 1 1 88 88 LYS N N 88 127.700 127.700 128.356 -0.656 18356 2390 1 3 . 1 1 88 88 LYS HA H 88 5.260 5.260 5.154 0.106 18356 2391 1 3 . 1 1 88 88 LYS C C 88 176.200 176.200 174.990 1.210 18356 2392 1 3 . 1 1 88 88 LYS CA C 88 55.500 55.500 55.574 -0.074 18356 2393 1 3 . 1 1 88 88 LYS CB C 88 33.100 33.100 34.172 -1.072 18356 2394 1 3 . 1 1 88 88 LYS H H 88 7.550 7.550 8.139 -0.589 18356 2395 1 3 . 1 1 89 89 PHE N N 89 119.700 119.700 118.381 1.319 18356 2396 1 3 . 1 1 89 89 PHE HA H 89 5.290 5.290 4.875 0.415 18356 2397 1 3 . 1 1 89 89 PHE C C 89 172.100 172.100 173.006 -0.906 18356 2398 1 3 . 1 1 89 89 PHE CA C 89 56.300 56.300 56.266 0.034 18356 2399 1 3 . 1 1 89 89 PHE CB C 89 40.200 40.200 40.499 -0.299 18356 2400 1 3 . 1 1 89 89 PHE H H 89 9.600 9.600 8.255 1.345 18356 2401 1 3 . 1 1 90 90 THR N N 90 111.800 111.800 111.146 0.654 18356 2402 1 3 . 1 1 90 90 THR HA H 90 5.170 5.170 4.678 0.492 18356 2403 1 3 . 1 1 90 90 THR C C 90 174.100 174.100 174.198 -0.098 18356 2404 1 3 . 1 1 90 90 THR CA C 90 60.500 60.500 60.936 -0.436 18356 2405 1 3 . 1 1 90 90 THR CB C 90 71.200 71.200 70.907 0.293 18356 2406 1 3 . 1 1 90 90 THR H H 90 8.170 8.170 8.330 -0.160 18356 2407 1 3 . 1 1 91 91 CYS N N 91 121.300 121.300 126.899 -5.599 18356 2408 1 3 . 1 1 91 91 CYS HA H 91 4.880 4.880 4.814 0.066 18356 2409 1 3 . 1 1 91 91 CYS C C 91 173.600 173.600 174.562 -0.962 18356 2410 1 3 . 1 1 91 91 CYS CA C 91 57.200 57.200 57.130 0.070 18356 2411 1 3 . 1 1 91 91 CYS CB C 91 30.300 30.300 26.979 3.321 18356 2412 1 3 . 1 1 91 91 CYS H H 91 8.810 8.810 9.135 -0.325 18356 2413 1 3 . 1 1 92 92 SER N N 92 120.800 120.800 120.377 0.423 18356 2414 1 3 . 1 1 92 92 SER HA H 92 4.180 4.180 4.598 -0.418 18356 2415 1 3 . 1 1 92 92 SER C C 92 173.600 173.600 174.107 -0.507 18356 2416 1 3 . 1 1 92 92 SER CA C 92 58.300 58.300 58.421 -0.121 18356 2417 1 3 . 1 1 92 92 SER CB C 92 64.000 64.000 64.020 -0.020 18356 2418 1 3 . 1 1 92 92 SER H H 92 8.960 8.960 8.718 0.242 18356 2419 1 3 . 1 1 93 93 ARG N N 93 123.600 123.600 123.557 0.043 18356 2420 1 3 . 1 1 93 93 ARG HA H 93 4.710 4.710 4.429 0.281 18356 2421 1 3 . 1 1 93 93 ARG C C 93 176.300 176.300 175.151 1.149 18356 2422 1 3 . 1 1 93 93 ARG CA C 93 54.800 54.800 56.068 -1.268 18356 2423 1 3 . 1 1 93 93 ARG CB C 93 32.800 32.800 28.791 4.009 18356 2424 1 3 . 1 1 93 93 ARG H H 93 8.140 8.140 8.584 -0.444 18356 2425 1 3 . 1 1 94 94 VAL N N 94 124.700 124.700 126.802 -2.102 18356 2426 1 3 . 1 1 94 94 VAL HA H 94 3.850 3.850 4.236 -0.386 18356 2427 1 3 . 1 1 94 94 VAL C C 94 177.400 177.400 176.213 1.187 18356 2428 1 3 . 1 1 94 94 VAL CA C 94 64.300 64.300 62.506 1.794 18356 2429 1 3 . 1 1 94 94 VAL CB C 94 31.900 31.900 33.532 -1.632 18356 2430 1 3 . 1 1 94 94 VAL H H 94 8.880 8.880 8.072 0.808 18356 2431 1 3 . 1 1 95 95 GLY N N 95 115.100 115.100 118.378 -3.278 18356 2432 1 3 . 1 1 95 95 GLY C C 95 174.100 174.100 173.360 0.740 18356 2433 1 3 . 1 1 95 95 GLY CA C 95 45.800 45.800 45.846 -0.046 18356 2434 1 3 . 1 1 95 95 GLY H H 95 8.900 8.900 8.808 0.092 18356 2435 1 3 . 1 1 96 96 ALA N N 96 123.000 123.000 124.657 -1.657 18356 2436 1 3 . 1 1 96 96 ALA HA H 96 4.520 4.520 4.566 -0.046 18356 2437 1 3 . 1 1 96 96 ALA C C 96 177.500 177.500 175.886 1.614 18356 2438 1 3 . 1 1 96 96 ALA CA C 96 52.100 52.100 51.111 0.989 18356 2439 1 3 . 1 1 96 96 ALA CB C 96 20.300 20.300 20.868 -0.568 18356 2440 1 3 . 1 1 96 96 ALA H H 96 8.070 8.070 7.827 0.243 18356 2441 1 3 . 1 1 97 97 GLY N N 97 107.800 107.800 104.113 3.687 18356 2442 1 3 . 1 1 97 97 GLY C C 97 174.000 174.000 173.740 0.260 18356 2443 1 3 . 1 1 97 97 GLY CA C 97 45.300 45.300 43.950 1.350 18356 2444 1 3 . 1 1 97 97 GLY H H 97 8.270 8.270 8.124 0.146 18356 2445 1 3 . 1 1 98 98 THR N N 98 115.600 115.600 116.571 -0.971 18356 2446 1 3 . 1 1 98 98 THR HA H 98 4.720 4.720 4.922 -0.202 18356 2447 1 3 . 1 1 98 98 THR C C 98 174.300 174.300 174.162 0.138 18356 2448 1 3 . 1 1 98 98 THR CA C 98 61.900 61.900 63.507 -1.607 18356 2449 1 3 . 1 1 98 98 THR CB C 98 70.400 70.400 69.374 1.026 18356 2450 1 3 . 1 1 98 98 THR H H 98 8.330 8.330 8.191 0.139 18356 2451 1 3 . 1 1 99 99 SER N N 99 119.900 119.900 122.352 -2.452 18356 2452 1 3 . 1 1 99 99 SER HA H 99 4.660 4.660 4.840 -0.180 18356 2453 1 3 . 1 1 99 99 SER C C 99 173.000 173.000 172.383 0.617 18356 2454 1 3 . 1 1 99 99 SER CA C 99 57.700 57.700 57.835 -0.135 18356 2455 1 3 . 1 1 99 99 SER CB C 99 65.300 65.300 66.491 -1.191 18356 2456 1 3 . 1 1 99 99 SER H H 99 8.760 8.760 8.778 -0.018 18356 2457 1 3 . 1 1 100 100 LYS N N 100 123.800 123.800 121.927 1.873 18356 2458 1 3 . 1 1 100 100 LYS HA H 100 4.260 4.260 4.777 -0.517 18356 2459 1 3 . 1 1 100 100 LYS C C 100 175.600 175.600 175.227 0.373 18356 2460 1 3 . 1 1 100 100 LYS CA C 100 56.900 56.900 55.311 1.589 18356 2461 1 3 . 1 1 100 100 LYS CB C 100 33.000 33.000 35.707 -2.707 18356 2462 1 3 . 1 1 100 100 LYS H H 100 8.280 8.280 8.339 -0.059 18356 2463 1 3 . 1 1 101 101 MET N N 101 123.200 123.200 122.408 0.792 18356 2464 1 3 . 1 1 101 101 MET HA H 101 4.510 4.510 4.591 -0.081 18356 2465 1 3 . 1 1 101 101 MET C C 101 172.700 172.700 174.044 -1.344 18356 2466 1 3 . 1 1 101 101 MET CA C 101 54.600 54.600 55.010 -0.410 18356 2467 1 3 . 1 1 101 101 MET CB C 101 35.900 35.900 37.481 -1.581 18356 2468 1 3 . 1 1 101 101 MET H H 101 8.910 8.910 8.049 0.861 18356 2469 1 3 . 1 1 102 102 ASP N N 102 119.000 119.000 121.269 -2.269 18356 2470 1 3 . 1 1 102 102 ASP HA H 102 5.690 5.690 4.876 0.814 18356 2471 1 3 . 1 1 102 102 ASP C C 102 175.600 175.600 175.278 0.322 18356 2472 1 3 . 1 1 102 102 ASP CA C 102 52.500 52.500 53.187 -0.687 18356 2473 1 3 . 1 1 102 102 ASP CB C 102 42.700 42.700 41.247 1.453 18356 2474 1 3 . 1 1 102 102 ASP H H 102 8.030 8.030 8.464 -0.434 18356 2475 1 3 . 1 1 103 103 LYS N N 103 122.100 122.100 122.779 -0.679 18356 2476 1 3 . 1 1 103 103 LYS HA H 103 4.810 4.810 4.750 0.060 18356 2477 1 3 . 1 1 103 103 LYS C C 103 174.400 174.400 175.243 -0.843 18356 2478 1 3 . 1 1 103 103 LYS CA C 103 53.400 53.400 53.838 -0.438 18356 2479 1 3 . 1 1 103 103 LYS CB C 103 36.500 36.500 35.820 0.680 18356 2480 1 3 . 1 1 103 103 LYS H H 103 9.340 9.340 8.449 0.891 18356 2481 1 3 . 1 1 104 104 ILE N N 104 123.500 123.500 125.453 -1.953 18356 2482 1 3 . 1 1 104 104 ILE HA H 104 3.780 3.780 4.319 -0.539 18356 2483 1 3 . 1 1 104 104 ILE C C 104 175.900 175.900 174.799 1.101 18356 2484 1 3 . 1 1 104 104 ILE CA C 104 61.700 61.700 61.195 0.505 18356 2485 1 3 . 1 1 104 104 ILE CB C 104 37.700 37.700 39.170 -1.470 18356 2486 1 3 . 1 1 104 104 ILE H H 104 8.810 8.810 8.730 0.080 18356 2487 1 3 . 1 1 105 105 ILE N N 105 119.200 119.200 124.723 -5.523 18356 2488 1 3 . 1 1 105 105 ILE HA H 105 5.310 5.310 4.509 0.801 18356 2489 1 3 . 1 1 105 105 ILE C C 105 174.200 174.200 173.651 0.549 18356 2490 1 3 . 1 1 105 105 ILE CA C 105 59.700 59.700 59.009 0.691 18356 2491 1 3 . 1 1 105 105 ILE CB C 105 39.800 39.800 40.077 -0.277 18356 2492 1 3 . 1 1 105 105 ILE H H 105 8.130 8.130 8.335 -0.205 18356 2493 1 3 . 1 1 106 106 PHE N N 106 125.800 125.800 123.565 2.235 18356 2494 1 3 . 1 1 106 106 PHE HA H 106 5.680 5.680 5.172 0.508 18356 2495 1 3 . 1 1 106 106 PHE C C 106 173.500 173.500 173.597 -0.097 18356 2496 1 3 . 1 1 106 106 PHE CA C 106 56.000 56.000 56.357 -0.357 18356 2497 1 3 . 1 1 106 106 PHE CB C 106 43.000 43.000 42.036 0.964 18356 2498 1 3 . 1 1 106 106 PHE H H 106 9.570 9.570 8.535 1.035 18356 2499 1 3 . 1 1 107 107 LEU N N 107 125.900 125.900 124.357 1.543 18356 2500 1 3 . 1 1 107 107 LEU HA H 107 5.300 5.300 5.701 -0.401 18356 2501 1 3 . 1 1 107 107 LEU C C 107 174.600 174.600 175.471 -0.871 18356 2502 1 3 . 1 1 107 107 LEU CA C 107 53.300 53.300 52.530 0.770 18356 2503 1 3 . 1 1 107 107 LEU CB C 107 44.400 44.400 44.884 -0.484 18356 2504 1 3 . 1 1 107 107 LEU H H 107 9.320 9.320 7.959 1.361 18356 2505 1 3 . 1 1 108 108 GLN N N 108 124.800 124.800 121.877 2.923 18356 2506 1 3 . 1 1 108 108 GLN HA H 108 4.670 4.670 4.729 -0.059 18356 2507 1 3 . 1 1 108 108 GLN C C 108 173.900 173.900 175.512 -1.612 18356 2508 1 3 . 1 1 108 108 GLN CA C 108 55.500 55.500 55.329 0.171 18356 2509 1 3 . 1 1 108 108 GLN CB C 108 30.200 30.200 29.776 0.424 18356 2510 1 3 . 1 1 108 108 GLN H H 108 8.620 8.620 8.717 -0.097 18356 2511 1 3 . 1 1 109 109 ILE N N 109 128.400 128.400 125.425 2.975 18356 2512 1 3 . 1 1 109 109 ILE HA H 109 4.340 4.340 4.199 0.141 18356 2513 1 3 . 1 1 109 109 ILE C C 109 173.800 173.800 174.850 -1.050 18356 2514 1 3 . 1 1 109 109 ILE CA C 109 61.500 61.500 59.035 2.465 18356 2515 1 3 . 1 1 109 109 ILE CB C 109 37.600 37.600 36.206 1.394 18356 2516 1 3 . 1 1 109 109 ILE H H 109 8.550 8.550 8.948 -0.398 18356 2517 1 3 . 1 1 110 110 CYS N N 110 125.800 125.800 126.470 -0.670 18356 2518 1 3 . 1 1 110 110 CYS HA H 110 5.340 5.340 4.631 0.709 18356 2519 1 3 . 1 1 110 110 CYS C C 110 171.200 171.200 172.581 -1.381 18356 2520 1 3 . 1 1 110 110 CYS CA C 110 54.400 54.400 56.219 -1.819 18356 2521 1 3 . 1 1 110 110 CYS CB C 110 29.400 29.400 31.337 -1.937 18356 2522 1 3 . 1 1 110 110 CYS H H 110 8.330 8.330 8.204 0.126 18356 2523 1 3 . 1 1 111 111 PRO HA H 111 4.470 4.470 4.619 -0.149 18356 2524 1 3 . 1 1 111 111 PRO CA C 111 59.500 59.500 63.120 -3.620 18356 2525 1 3 . 1 1 112 112 ASP N N 112 120.600 120.600 124.261 -3.661 18356 2526 1 3 . 1 1 112 112 ASP HA H 112 4.260 4.260 4.456 -0.196 18356 2527 1 3 . 1 1 112 112 ASP C C 112 177.400 177.400 177.661 -0.261 18356 2528 1 3 . 1 1 112 112 ASP CA C 112 57.700 57.700 56.544 1.157 18356 2529 1 3 . 1 1 112 112 ASP CB C 112 41.300 41.300 40.945 0.355 18356 2530 1 3 . 1 1 112 112 ASP H H 112 8.390 8.390 8.654 -0.264 18356 2531 1 3 . 1 1 113 113 GLY N N 113 103.400 103.400 108.489 -5.089 18356 2532 1 3 . 1 1 113 113 GLY C C 113 174.500 174.500 173.464 1.036 18356 2533 1 3 . 1 1 113 113 GLY CA C 113 45.500 45.500 45.163 0.337 18356 2534 1 3 . 1 1 113 113 GLY H H 113 8.520 8.520 8.479 0.041 18356 2535 1 3 . 1 1 114 114 ALA N N 114 122.000 122.000 124.671 -2.671 18356 2536 1 3 . 1 1 114 114 ALA HA H 114 4.360 4.360 4.538 -0.178 18356 2537 1 3 . 1 1 114 114 ALA C C 114 176.200 176.200 175.406 0.794 18356 2538 1 3 . 1 1 114 114 ALA CA C 114 51.000 51.000 51.232 -0.232 18356 2539 1 3 . 1 1 114 114 ALA CB C 114 20.500 20.500 20.056 0.444 18356 2540 1 3 . 1 1 114 114 ALA H H 114 7.560 7.560 7.777 -0.217 18356 2541 1 3 . 1 1 115 115 SER N N 115 115.900 115.900 116.138 -0.238 18356 2542 1 3 . 1 1 115 115 SER HA H 115 4.400 4.400 4.449 -0.049 18356 2543 1 3 . 1 1 115 115 SER C C 115 175.600 175.600 176.106 -0.506 18356 2544 1 3 . 1 1 115 115 SER CA C 115 57.700 57.700 58.912 -1.212 18356 2545 1 3 . 1 1 115 115 SER CB C 115 64.400 64.400 63.612 0.788 18356 2546 1 3 . 1 1 115 115 SER H H 115 8.620 8.620 8.262 0.358 18356 2547 1 3 . 1 1 116 116 ILE N N 116 123.700 123.700 127.374 -3.674 18356 2548 1 3 . 1 1 116 116 ILE HA H 116 4.740 4.740 3.895 0.845 18356 2549 1 3 . 1 1 116 116 ILE C C 116 177.600 177.600 176.710 0.890 18356 2550 1 3 . 1 1 116 116 ILE CA C 116 61.900 61.900 64.451 -2.551 18356 2551 1 3 . 1 1 116 116 ILE CB C 116 37.800 37.800 38.161 -0.361 18356 2552 1 3 . 1 1 116 116 ILE H H 116 8.810 8.810 8.691 0.119 18356 2553 1 3 . 1 1 117 117 LYS N N 117 119.200 119.200 118.579 0.621 18356 2554 1 3 . 1 1 117 117 LYS HA H 117 4.080 4.080 4.100 -0.020 18356 2555 1 3 . 1 1 117 117 LYS C C 117 179.400 179.400 178.608 0.792 18356 2556 1 3 . 1 1 117 117 LYS CA C 117 59.600 59.600 59.025 0.575 18356 2557 1 3 . 1 1 117 117 LYS CB C 117 32.700 32.700 30.924 1.776 18356 2558 1 3 . 1 1 117 117 LYS H H 117 8.140 8.140 8.599 -0.459 18356 2559 1 3 . 1 1 118 118 LYS N N 118 118.700 118.700 119.712 -1.012 18356 2560 1 3 . 1 1 118 118 LYS HA H 118 4.290 4.290 4.174 0.116 18356 2561 1 3 . 1 1 118 118 LYS C C 118 178.700 178.700 179.335 -0.635 18356 2562 1 3 . 1 1 118 118 LYS CA C 118 58.500 58.500 58.797 -0.297 18356 2563 1 3 . 1 1 118 118 LYS CB C 118 32.500 32.500 31.851 0.649 18356 2564 1 3 . 1 1 118 118 LYS H H 118 7.570 7.570 7.594 -0.024 18356 2565 1 3 . 1 1 119 119 LYS N N 119 118.900 118.900 120.645 -1.745 18356 2566 1 3 . 1 1 119 119 LYS HA H 119 4.340 4.340 4.473 -0.133 18356 2567 1 3 . 1 1 119 119 LYS C C 119 179.600 179.600 179.360 0.240 18356 2568 1 3 . 1 1 119 119 LYS CA C 119 61.300 61.300 59.404 1.896 18356 2569 1 3 . 1 1 119 119 LYS CB C 119 32.300 32.300 32.163 0.137 18356 2570 1 3 . 1 1 119 119 LYS H H 119 8.450 8.450 7.755 0.695 18356 2571 1 3 . 1 1 120 120 MET N N 120 117.400 117.400 118.660 -1.260 18356 2572 1 3 . 1 1 120 120 MET HA H 120 4.290 4.290 4.207 0.083 18356 2573 1 3 . 1 1 120 120 MET C C 120 179.500 179.500 178.688 0.812 18356 2574 1 3 . 1 1 120 120 MET CA C 120 59.100 59.100 57.960 1.140 18356 2575 1 3 . 1 1 120 120 MET CB C 120 32.400 32.400 31.922 0.478 18356 2576 1 3 . 1 1 120 120 MET H H 120 8.420 8.420 7.586 0.834 18356 2577 1 3 . 1 1 121 121 VAL N N 121 121.800 121.800 119.051 2.749 18356 2578 1 3 . 1 1 121 121 VAL HA H 121 3.980 3.980 3.746 0.234 18356 2579 1 3 . 1 1 121 121 VAL C C 121 179.200 179.200 178.493 0.707 18356 2580 1 3 . 1 1 121 121 VAL CA C 121 66.200 66.200 66.279 -0.079 18356 2581 1 3 . 1 1 121 121 VAL CB C 121 32.300 32.300 31.721 0.579 18356 2582 1 3 . 1 1 121 121 VAL H H 121 8.000 8.000 8.195 -0.195 18356 2583 1 3 . 1 1 122 122 TYR N N 122 121.300 121.300 120.306 0.994 18356 2584 1 3 . 1 1 122 122 TYR HA H 122 4.230 4.230 4.432 -0.202 18356 2585 1 3 . 1 1 122 122 TYR C C 122 180.700 180.700 176.980 3.720 18356 2586 1 3 . 1 1 122 122 TYR CA C 122 61.400 61.400 60.741 0.659 18356 2587 1 3 . 1 1 122 122 TYR CB C 122 38.300 38.300 37.589 0.711 18356 2588 1 3 . 1 1 122 122 TYR H H 122 8.610 8.610 8.580 0.030 18356 2589 1 3 . 1 1 123 123 ALA N N 123 124.000 124.000 121.754 2.246 18356 2590 1 3 . 1 1 123 123 ALA HA H 123 4.360 4.360 3.437 0.923 18356 2591 1 3 . 1 1 123 123 ALA C C 123 180.800 180.800 179.489 1.311 18356 2592 1 3 . 1 1 123 123 ALA CA C 123 55.800 55.800 54.581 1.219 18356 2593 1 3 . 1 1 123 123 ALA CB C 123 18.200 18.200 17.384 0.816 18356 2594 1 3 . 1 1 123 123 ALA H H 123 8.760 8.760 7.721 1.039 18356 2595 1 3 . 1 1 124 124 SER N N 124 113.200 113.200 112.415 0.785 18356 2596 1 3 . 1 1 124 124 SER HA H 124 4.340 4.340 4.206 0.134 18356 2597 1 3 . 1 1 124 124 SER C C 124 176.400 176.400 175.601 0.799 18356 2598 1 3 . 1 1 124 124 SER CA C 124 61.500 61.500 60.629 0.871 18356 2599 1 3 . 1 1 124 124 SER CB C 124 63.300 63.300 63.229 0.071 18356 2600 1 3 . 1 1 124 124 SER H H 124 8.500 8.500 7.910 0.590 18356 2601 1 3 . 1 1 125 125 SER N N 125 115.200 115.200 115.546 -0.346 18356 2602 1 3 . 1 1 125 125 SER HA H 125 4.460 4.460 4.408 0.052 18356 2603 1 3 . 1 1 125 125 SER C C 125 173.100 173.100 175.503 -2.403 18356 2604 1 3 . 1 1 125 125 SER CA C 125 59.400 59.400 61.005 -1.605 18356 2605 1 3 . 1 1 125 125 SER CB C 125 63.400 63.400 63.766 -0.366 18356 2606 1 3 . 1 1 125 125 SER H H 125 7.480 7.480 7.252 0.228 18356 2607 1 3 . 1 1 126 126 ALA N N 126 122.600 122.600 124.131 -1.531 18356 2608 1 3 . 1 1 126 126 ALA HA H 126 3.780 3.780 3.974 -0.194 18356 2609 1 3 . 1 1 126 126 ALA C C 126 178.600 178.600 178.785 -0.185 18356 2610 1 3 . 1 1 126 126 ALA CA C 126 54.900 54.900 54.649 0.251 18356 2611 1 3 . 1 1 126 126 ALA CB C 126 18.700 18.700 18.116 0.584 18356 2612 1 3 . 1 1 126 126 ALA H H 126 7.100 7.100 8.268 -1.168 18356 2613 1 3 . 1 1 127 127 ALA N N 127 118.800 118.800 120.335 -1.535 18356 2614 1 3 . 1 1 127 127 ALA HA H 127 3.860 3.860 3.803 0.057 18356 2615 1 3 . 1 1 127 127 ALA C C 127 179.700 179.700 178.461 1.239 18356 2616 1 3 . 1 1 127 127 ALA CA C 127 55.200 55.200 54.805 0.395 18356 2617 1 3 . 1 1 127 127 ALA CB C 127 17.700 17.700 18.318 -0.618 18356 2618 1 3 . 1 1 127 127 ALA H H 127 8.480 8.480 7.658 0.822 18356 2619 1 3 . 1 1 128 128 ALA N N 128 120.700 120.700 121.792 -1.092 18356 2620 1 3 . 1 1 128 128 ALA HA H 128 3.990 3.990 4.007 -0.017 18356 2621 1 3 . 1 1 128 128 ALA C C 128 180.600 180.600 179.597 1.003 18356 2622 1 3 . 1 1 128 128 ALA CA C 128 55.100 55.100 54.504 0.596 18356 2623 1 3 . 1 1 128 128 ALA CB C 128 17.900 17.900 18.485 -0.585 18356 2624 1 3 . 1 1 128 128 ALA H H 128 7.800 7.800 7.431 0.369 18356 2625 1 3 . 1 1 129 129 ILE N N 129 114.900 114.900 119.873 -4.973 18356 2626 1 3 . 1 1 129 129 ILE HA H 129 3.780 3.780 3.763 0.017 18356 2627 1 3 . 1 1 129 129 ILE C C 129 176.100 176.100 177.716 -1.616 18356 2628 1 3 . 1 1 129 129 ILE CA C 129 63.300 63.300 63.430 -0.130 18356 2629 1 3 . 1 1 129 129 ILE CB C 129 37.200 37.200 37.531 -0.331 18356 2630 1 3 . 1 1 129 129 ILE H H 129 7.180 7.180 7.464 -0.284 18356 2631 1 3 . 1 1 130 130 LYS N N 130 122.400 122.400 119.248 3.152 18356 2632 1 3 . 1 1 130 130 LYS HA H 130 3.870 3.870 3.564 0.306 18356 2633 1 3 . 1 1 130 130 LYS C C 130 178.400 178.400 177.820 0.580 18356 2634 1 3 . 1 1 130 130 LYS CA C 130 61.100 61.100 58.608 2.492 18356 2635 1 3 . 1 1 130 130 LYS CB C 130 31.500 31.500 30.608 0.892 18356 2636 1 3 . 1 1 130 130 LYS H H 130 7.870 7.870 7.943 -0.073 18356 2637 1 3 . 1 1 131 131 THR N N 131 113.000 113.000 115.599 -2.599 18356 2638 1 3 . 1 1 131 131 THR HA H 131 3.870 3.870 4.142 -0.272 18356 2639 1 3 . 1 1 131 131 THR C C 131 176.300 176.300 175.799 0.501 18356 2640 1 3 . 1 1 131 131 THR CA C 131 65.900 65.900 65.623 0.277 18356 2641 1 3 . 1 1 131 131 THR CB C 131 68.700 68.700 68.284 0.416 18356 2642 1 3 . 1 1 131 131 THR H H 131 8.000 8.000 7.595 0.405 18356 2643 1 3 . 1 1 132 132 SER N N 132 117.300 117.300 116.111 1.189 18356 2644 1 3 . 1 1 132 132 SER HA H 132 4.100 4.100 4.330 -0.230 18356 2645 1 3 . 1 1 132 132 SER C C 132 174.900 174.900 174.636 0.264 18356 2646 1 3 . 1 1 132 132 SER CA C 132 61.900 61.900 60.876 1.024 18356 2647 1 3 . 1 1 132 132 SER CB C 132 63.300 63.300 63.376 -0.076 18356 2648 1 3 . 1 1 132 132 SER H H 132 7.290 7.290 7.662 -0.372 18356 2649 1 3 . 1 1 133 133 LEU N N 133 118.100 118.100 113.085 5.015 18356 2650 1 3 . 1 1 133 133 LEU HA H 133 3.700 3.700 4.880 -1.180 18356 2651 1 3 . 1 1 133 133 LEU C C 133 176.600 176.600 177.135 -0.535 18356 2652 1 3 . 1 1 133 133 LEU CA C 133 56.300 56.300 56.127 0.173 18356 2653 1 3 . 1 1 133 133 LEU CB C 133 40.400 40.400 42.293 -1.893 18356 2654 1 3 . 1 1 133 133 LEU H H 133 7.330 7.330 7.236 0.094 18356 2655 1 3 . 1 1 134 134 GLY N N 134 105.600 105.600 105.639 -0.039 18356 2656 1 3 . 1 1 134 134 GLY C C 134 174.800 174.800 174.574 0.226 18356 2657 1 3 . 1 1 134 134 GLY CA C 134 45.300 45.300 45.969 -0.669 18356 2658 1 3 . 1 1 134 134 GLY H H 134 7.420 7.420 8.286 -0.866 18356 2659 1 3 . 1 1 135 135 THR N N 135 116.600 116.600 114.100 2.500 18356 2660 1 3 . 1 1 135 135 THR HA H 135 3.870 3.870 3.719 0.151 18356 2661 1 3 . 1 1 135 135 THR C C 135 176.000 176.000 173.844 2.156 18356 2662 1 3 . 1 1 135 135 THR CA C 135 63.900 63.900 65.045 -1.145 18356 2663 1 3 . 1 1 135 135 THR CB C 135 68.600 68.600 67.883 0.717 18356 2664 1 3 . 1 1 135 135 THR H H 135 8.450 8.450 8.067 0.383 18356 2665 1 3 . 1 1 136 136 GLY N N 136 109.300 109.300 107.814 1.486 18356 2666 1 3 . 1 1 136 136 GLY C C 136 175.000 175.000 174.049 0.951 18356 2667 1 3 . 1 1 136 136 GLY CA C 136 45.700 45.700 45.017 0.683 18356 2668 1 3 . 1 1 136 136 GLY H H 136 8.720 8.720 8.082 0.638 18356 2669 1 3 . 1 1 137 137 LYS N N 137 118.500 118.500 119.803 -1.303 18356 2670 1 3 . 1 1 137 137 LYS HA H 137 4.500 4.500 4.459 0.041 18356 2671 1 3 . 1 1 137 137 LYS C C 137 176.200 176.200 176.449 -0.249 18356 2672 1 3 . 1 1 137 137 LYS CA C 137 56.300 56.300 56.705 -0.405 18356 2673 1 3 . 1 1 137 137 LYS CB C 137 34.100 34.100 33.184 0.916 18356 2674 1 3 . 1 1 137 137 LYS H H 137 8.110 8.110 8.182 -0.072 18356 2675 1 3 . 1 1 138 138 ILE N N 138 111.400 111.400 115.507 -4.107 18356 2676 1 3 . 1 1 138 138 ILE HA H 138 5.050 5.050 4.376 0.674 18356 2677 1 3 . 1 1 138 138 ILE C C 138 174.700 174.700 175.178 -0.478 18356 2678 1 3 . 1 1 138 138 ILE CA C 138 59.500 59.500 59.336 0.164 18356 2679 1 3 . 1 1 138 138 ILE CB C 138 41.600 41.600 39.734 1.866 18356 2680 1 3 . 1 1 138 138 ILE H H 138 7.270 7.270 7.152 0.118 18356 2681 1 3 . 1 1 139 139 LEU N N 139 124.600 124.600 125.058 -0.458 18356 2682 1 3 . 1 1 139 139 LEU HA H 139 4.690 4.690 4.551 0.139 18356 2683 1 3 . 1 1 139 139 LEU C C 139 175.600 175.600 175.937 -0.337 18356 2684 1 3 . 1 1 139 139 LEU CA C 139 54.200 54.200 54.378 -0.178 18356 2685 1 3 . 1 1 139 139 LEU CB C 139 43.800 43.800 39.931 3.869 18356 2686 1 3 . 1 1 139 139 LEU H H 139 8.450 8.450 8.752 -0.302 18356 2687 1 3 . 1 1 140 140 GLN N N 140 123.500 123.500 121.895 1.605 18356 2688 1 3 . 1 1 140 140 GLN HA H 140 5.350 5.350 5.587 -0.237 18356 2689 1 3 . 1 1 140 140 GLN C C 140 174.900 174.900 174.917 -0.017 18356 2690 1 3 . 1 1 140 140 GLN CA C 140 55.800 55.800 54.112 1.688 18356 2691 1 3 . 1 1 140 140 GLN CB C 140 30.900 30.900 29.473 1.427 18356 2692 1 3 . 1 1 140 140 GLN H H 140 8.590 8.590 7.856 0.734 18356 2693 1 3 . 1 1 141 141 PHE N N 141 120.500 120.500 123.431 -2.931 18356 2694 1 3 . 1 1 141 141 PHE HA H 141 4.870 4.870 4.838 0.032 18356 2695 1 3 . 1 1 141 141 PHE C C 141 174.700 174.700 174.656 0.044 18356 2696 1 3 . 1 1 141 141 PHE CA C 141 57.300 57.300 57.281 0.019 18356 2697 1 3 . 1 1 141 141 PHE CB C 141 42.800 42.800 43.604 -0.804 18356 2698 1 3 . 1 1 141 141 PHE H H 141 9.280 9.280 8.952 0.328 18356 2699 1 3 . 1 1 142 142 GLN N N 142 123.700 123.700 123.585 0.115 18356 2700 1 3 . 1 1 142 142 GLN HA H 142 4.880 4.880 4.644 0.236 18356 2701 1 3 . 1 1 142 142 GLN C C 142 174.900 174.900 175.166 -0.266 18356 2702 1 3 . 1 1 142 142 GLN CA C 142 55.500 55.500 55.280 0.220 18356 2703 1 3 . 1 1 142 142 GLN CB C 142 30.200 30.200 30.257 -0.057 18356 2704 1 3 . 1 1 142 142 GLN H H 142 9.080 9.080 8.780 0.300 18356 2705 1 3 . 1 1 143 143 VAL N N 143 120.900 120.900 123.284 -2.384 18356 2706 1 3 . 1 1 143 143 VAL HA H 143 4.600 4.600 4.662 -0.062 18356 2707 1 3 . 1 1 143 143 VAL C C 143 174.800 174.800 175.406 -0.606 18356 2708 1 3 . 1 1 143 143 VAL CA C 143 60.900 60.900 60.526 0.374 18356 2709 1 3 . 1 1 143 143 VAL CB C 143 35.700 35.700 32.933 2.767 18356 2710 1 3 . 1 1 143 143 VAL H H 143 8.560 8.560 8.638 -0.078 18356 2711 1 3 . 1 1 144 144 SER N N 144 120.500 120.500 120.192 0.308 18356 2712 1 3 . 1 1 144 144 SER HA H 144 4.740 4.740 4.706 0.034 18356 2713 1 3 . 1 1 144 144 SER C C 144 173.200 173.200 174.289 -1.089 18356 2714 1 3 . 1 1 144 144 SER CA C 144 58.200 58.200 58.881 -0.681 18356 2715 1 3 . 1 1 144 144 SER CB C 144 65.600 65.600 64.528 1.072 18356 2716 1 3 . 1 1 144 144 SER H H 144 9.640 9.640 8.810 0.830 18356 2717 1 3 . 1 1 145 145 ASP N N 145 118.600 118.600 122.321 -3.721 18356 2718 1 3 . 1 1 145 145 ASP HA H 145 4.700 4.700 4.691 0.009 18356 2719 1 3 . 1 1 145 145 ASP C C 145 175.500 175.500 176.757 -1.257 18356 2720 1 3 . 1 1 145 145 ASP CA C 145 53.300 53.300 53.580 -0.280 18356 2721 1 3 . 1 1 145 145 ASP CB C 145 44.100 44.100 42.616 1.484 18356 2722 1 3 . 1 1 145 145 ASP H H 145 7.760 7.760 7.764 -0.004 18356 2723 1 3 . 1 1 146 146 GLU N N 146 119.900 119.900 126.601 -6.701 18356 2724 1 3 . 1 1 146 146 GLU HA H 146 3.780 3.780 4.142 -0.362 18356 2725 1 3 . 1 1 146 146 GLU C C 146 177.800 177.800 177.658 0.142 18356 2726 1 3 . 1 1 146 146 GLU CA C 146 59.700 59.700 59.162 0.538 18356 2727 1 3 . 1 1 146 146 GLU CB C 146 29.800 29.800 29.752 0.048 18356 2728 1 3 . 1 1 146 146 GLU H H 146 8.950 8.950 8.926 0.024 18356 2729 1 3 . 1 1 147 147 SER N N 147 116.700 116.700 114.825 1.875 18356 2730 1 3 . 1 1 147 147 SER HA H 147 4.190 4.190 4.390 -0.200 18356 2731 1 3 . 1 1 147 147 SER C C 147 176.600 176.600 175.543 1.057 18356 2732 1 3 . 1 1 147 147 SER CA C 147 61.500 61.500 60.707 0.793 18356 2733 1 3 . 1 1 147 147 SER CB C 147 60.100 60.100 62.884 -2.784 18356 2734 1 3 . 1 1 147 147 SER H H 147 8.660 8.660 7.864 0.796 18356 2735 1 3 . 1 1 148 148 GLU N N 148 120.300 120.300 119.763 0.537 18356 2736 1 3 . 1 1 148 148 GLU HA H 148 4.160 4.160 4.342 -0.182 18356 2737 1 3 . 1 1 148 148 GLU C C 148 176.200 176.200 176.075 0.125 18356 2738 1 3 . 1 1 148 148 GLU CA C 148 57.600 57.600 56.194 1.406 18356 2739 1 3 . 1 1 148 148 GLU CB C 148 30.900 30.900 29.608 1.292 18356 2740 1 3 . 1 1 148 148 GLU H H 148 7.940 7.940 7.930 0.010 18356 2741 1 3 . 1 1 149 149 MET N N 149 116.000 116.000 120.685 -4.685 18356 2742 1 3 . 1 1 149 149 MET HA H 149 4.530 4.530 4.651 -0.121 18356 2743 1 3 . 1 1 149 149 MET C C 149 173.000 173.000 175.738 -2.738 18356 2744 1 3 . 1 1 149 149 MET CA C 149 53.400 53.400 56.088 -2.688 18356 2745 1 3 . 1 1 149 149 MET CB C 149 32.900 32.900 31.327 1.573 18356 2746 1 3 . 1 1 149 149 MET H H 149 7.500 7.500 7.357 0.143 18356 2747 1 3 . 1 1 150 150 SER N N 150 112.400 112.400 116.101 -3.701 18356 2748 1 3 . 1 1 150 150 SER HA H 150 4.710 4.710 5.526 -0.816 18356 2749 1 3 . 1 1 150 150 SER C C 150 174.100 174.100 174.589 -0.489 18356 2750 1 3 . 1 1 150 150 SER CA C 150 56.900 56.900 56.466 0.434 18356 2751 1 3 . 1 1 150 150 SER CB C 150 65.300 65.300 65.433 -0.133 18356 2752 1 3 . 1 1 150 150 SER H H 150 7.100 7.100 8.161 -1.061 18356 2753 1 3 . 1 1 151 151 HIS N N 151 125.700 125.700 120.511 5.189 18356 2754 1 3 . 1 1 151 151 HIS HA H 151 4.670 4.670 4.334 0.336 18356 2755 1 3 . 1 1 151 151 HIS C C 151 175.900 175.900 176.412 -0.512 18356 2756 1 3 . 1 1 151 151 HIS CA C 151 62.300 62.300 58.677 3.623 18356 2757 1 3 . 1 1 151 151 HIS CB C 151 31.900 31.900 29.691 2.209 18356 2758 1 3 . 1 1 151 151 HIS H H 151 9.510 9.510 8.636 0.874 18356 2759 1 3 . 1 1 152 152 LYS N N 152 115.700 115.700 120.664 -4.964 18356 2760 1 3 . 1 1 152 152 LYS HA H 152 3.690 3.690 3.748 -0.058 18356 2761 1 3 . 1 1 152 152 LYS C C 152 178.700 178.700 178.333 0.367 18356 2762 1 3 . 1 1 152 152 LYS CA C 152 59.200 59.200 59.087 0.114 18356 2763 1 3 . 1 1 152 152 LYS CB C 152 32.700 32.700 31.529 1.171 18356 2764 1 3 . 1 1 152 152 LYS H H 152 8.380 8.380 7.312 1.068 18356 2765 1 3 . 1 1 153 153 GLU N N 153 117.400 117.400 118.650 -1.250 18356 2766 1 3 . 1 1 153 153 GLU HA H 153 4.070 4.070 4.144 -0.074 18356 2767 1 3 . 1 1 153 153 GLU C C 153 179.100 179.100 178.373 0.727 18356 2768 1 3 . 1 1 153 153 GLU CA C 153 58.500 58.500 57.442 1.058 18356 2769 1 3 . 1 1 153 153 GLU CB C 153 29.300 29.300 29.610 -0.310 18356 2770 1 3 . 1 1 153 153 GLU H H 153 7.360 7.360 7.938 -0.578 18356 2771 1 3 . 1 1 154 154 LEU N N 154 121.200 121.200 121.815 -0.615 18356 2772 1 3 . 1 1 154 154 LEU HA H 154 3.530 3.530 3.816 -0.286 18356 2773 1 3 . 1 1 154 154 LEU C C 154 178.300 178.300 177.952 0.348 18356 2774 1 3 . 1 1 154 154 LEU CA C 154 57.300 57.300 57.973 -0.673 18356 2775 1 3 . 1 1 154 154 LEU CB C 154 40.500 40.500 41.703 -1.203 18356 2776 1 3 . 1 1 154 154 LEU H H 154 7.730 7.730 7.337 0.393 18356 2777 1 3 . 1 1 155 155 LEU N N 155 118.500 118.500 112.657 5.843 18356 2778 1 3 . 1 1 155 155 LEU HA H 155 3.410 3.410 3.900 -0.490 18356 2779 1 3 . 1 1 155 155 LEU C C 155 179.900 179.900 177.918 1.982 18356 2780 1 3 . 1 1 155 155 LEU CA C 155 57.600 57.600 56.273 1.327 18356 2781 1 3 . 1 1 155 155 LEU CB C 155 41.200 41.200 40.887 0.313 18356 2782 1 3 . 1 1 155 155 LEU H H 155 8.350 8.350 7.356 0.994 18356 2783 1 3 . 1 1 156 156 ASN N N 156 117.900 117.900 119.125 -1.225 18356 2784 1 3 . 1 1 156 156 ASN HA H 156 4.360 4.360 4.284 0.076 18356 2785 1 3 . 1 1 156 156 ASN C C 156 178.000 178.000 177.174 0.826 18356 2786 1 3 . 1 1 156 156 ASN CA C 156 56.300 56.300 56.812 -0.512 18356 2787 1 3 . 1 1 156 156 ASN CB C 156 38.400 38.400 38.420 -0.020 18356 2788 1 3 . 1 1 156 156 ASN H H 156 7.750 7.750 7.591 0.159 18356 2789 1 3 . 1 1 157 157 LYS N N 157 119.800 119.800 119.431 0.369 18356 2790 1 3 . 1 1 157 157 LYS HA H 157 4.080 4.080 4.007 0.073 18356 2791 1 3 . 1 1 157 157 LYS C C 157 179.800 179.800 178.539 1.261 18356 2792 1 3 . 1 1 157 157 LYS CA C 157 59.100 59.100 58.474 0.626 18356 2793 1 3 . 1 1 157 157 LYS CB C 157 32.500 32.500 31.218 1.282 18356 2794 1 3 . 1 1 157 157 LYS H H 157 7.770 7.770 7.432 0.338 18356 2795 1 3 . 1 1 158 158 LEU N N 158 120.900 120.900 120.548 0.352 18356 2796 1 3 . 1 1 158 158 LEU HA H 158 3.950 3.950 4.115 -0.165 18356 2797 1 3 . 1 1 158 158 LEU C C 158 179.000 179.000 178.004 0.996 18356 2798 1 3 . 1 1 158 158 LEU CA C 158 57.800 57.800 57.330 0.470 18356 2799 1 3 . 1 1 158 158 LEU CB C 158 41.200 41.200 41.589 -0.389 18356 2800 1 3 . 1 1 158 158 LEU H H 158 8.200 8.200 7.612 0.588 18356 2801 1 3 . 1 1 159 159 GLY N N 159 106.500 106.500 104.162 2.338 18356 2802 1 3 . 1 1 159 159 GLY C C 159 176.300 176.300 175.483 0.817 18356 2803 1 3 . 1 1 159 159 GLY CA C 159 46.900 46.900 46.036 0.864 18356 2804 1 3 . 1 1 159 159 GLY H H 159 8.290 8.290 7.707 0.583 18356 2805 1 3 . 1 1 160 160 GLU N N 160 120.700 120.700 121.783 -1.083 18356 2806 1 3 . 1 1 160 160 GLU HA H 160 4.070 4.070 4.027 0.043 18356 2807 1 3 . 1 1 160 160 GLU C C 160 177.800 177.800 177.972 -0.172 18356 2808 1 3 . 1 1 160 160 GLU CA C 160 58.300 58.300 59.191 -0.891 18356 2809 1 3 . 1 1 160 160 GLU CB C 160 30.000 30.000 29.535 0.465 18356 2810 1 3 . 1 1 160 160 GLU H H 160 7.850 7.850 8.184 -0.334 18356 2811 1 3 . 1 1 161 161 LYS N N 161 118.100 118.100 114.746 3.354 18356 2812 1 3 . 1 1 161 161 LYS HA H 161 4.070 4.070 4.288 -0.218 18356 2813 1 3 . 1 1 161 161 LYS C C 161 177.600 177.600 177.258 0.342 18356 2814 1 3 . 1 1 161 161 LYS CA C 161 57.800 57.800 56.051 1.749 18356 2815 1 3 . 1 1 161 161 LYS CB C 161 33.200 33.200 32.488 0.712 18356 2816 1 3 . 1 1 161 161 LYS H H 161 7.660 7.660 8.094 -0.434 18356 2817 1 3 . 1 1 162 162 TYR N N 162 115.400 115.400 116.411 -1.011 18356 2818 1 3 . 1 1 162 162 TYR HA H 162 4.750 4.750 4.691 0.059 18356 2819 1 3 . 1 1 162 162 TYR C C 162 176.000 176.000 176.814 -0.814 18356 2820 1 3 . 1 1 162 162 TYR CA C 162 59.000 59.000 58.261 0.739 18356 2821 1 3 . 1 1 162 162 TYR CB C 162 39.800 39.800 40.542 -0.742 18356 2822 1 3 . 1 1 162 162 TYR H H 162 8.090 8.090 7.577 0.513 18356 2823 1 3 . 1 1 163 163 GLY N N 163 109.000 109.000 108.461 0.539 18356 2824 1 3 . 1 1 163 163 GLY C C 163 173.500 173.500 174.542 -1.042 18356 2825 1 3 . 1 1 163 163 GLY CA C 163 45.500 45.500 44.285 1.214 18356 2826 1 3 . 1 1 163 163 GLY H H 163 8.090 8.090 8.113 -0.023 18356 2827 1 3 . 1 1 164 164 ASP N N 164 120.100 120.100 119.225 0.875 18356 2828 1 3 . 1 1 164 164 ASP HA H 164 4.640 4.640 4.468 0.172 18356 2829 1 3 . 1 1 164 164 ASP C C 164 175.300 175.300 175.870 -0.570 18356 2830 1 3 . 1 1 164 164 ASP CA C 164 54.600 54.600 55.111 -0.511 18356 2831 1 3 . 1 1 164 164 ASP CB C 164 41.700 41.700 41.745 -0.045 18356 2832 1 3 . 1 1 164 164 ASP H H 164 8.320 8.320 8.161 0.159 18356 2833 1 4 . 1 1 2 2 SER N N 2 115.100 115.100 119.086 -3.986 18356 2834 1 4 . 1 1 2 2 SER HA H 2 4.820 4.820 4.210 0.610 18356 2835 1 4 . 1 1 2 2 SER CA C 2 62.300 62.300 61.372 0.928 18356 2836 1 4 . 1 1 2 2 SER CB C 2 67.300 67.300 63.217 4.083 18356 2837 1 4 . 1 1 2 2 SER H H 2 8.350 8.350 8.083 0.267 18356 2838 1 4 . 1 1 3 3 SER HA H 3 3.860 3.860 4.559 -0.699 18356 2839 1 4 . 1 1 3 3 SER CA C 3 55.800 55.800 57.755 -1.955 18356 2840 1 4 . 1 1 3 3 SER CB C 3 61.300 61.300 62.988 -1.688 18356 2841 1 4 . 1 1 4 4 GLY N N 4 110.700 110.700 109.547 1.153 18356 2842 1 4 . 1 1 4 4 GLY C C 4 173.400 173.400 174.185 -0.785 18356 2843 1 4 . 1 1 4 4 GLY CA C 4 45.100 45.100 45.509 -0.409 18356 2844 1 4 . 1 1 4 4 GLY H H 4 8.320 8.320 7.945 0.375 18356 2845 1 4 . 1 1 5 5 VAL N N 5 119.400 119.400 120.282 -0.882 18356 2846 1 4 . 1 1 5 5 VAL HA H 5 4.200 4.200 4.112 0.088 18356 2847 1 4 . 1 1 5 5 VAL C C 5 175.300 175.300 175.288 0.012 18356 2848 1 4 . 1 1 5 5 VAL CA C 5 61.700 61.700 62.905 -1.205 18356 2849 1 4 . 1 1 5 5 VAL CB C 5 33.100 33.100 32.456 0.644 18356 2850 1 4 . 1 1 5 5 VAL H H 5 7.810 7.810 7.577 0.233 18356 2851 1 4 . 1 1 6 6 MET N N 6 124.000 124.000 128.345 -4.345 18356 2852 1 4 . 1 1 6 6 MET HA H 6 4.650 4.650 4.815 -0.165 18356 2853 1 4 . 1 1 6 6 MET C C 6 174.800 174.800 174.652 0.148 18356 2854 1 4 . 1 1 6 6 MET CA C 6 54.200 54.200 54.318 -0.117 18356 2855 1 4 . 1 1 6 6 MET CB C 6 36.000 36.000 36.358 -0.358 18356 2856 1 4 . 1 1 6 6 MET H H 6 8.180 8.180 8.677 -0.497 18356 2857 1 4 . 1 1 7 7 VAL N N 7 122.400 122.400 117.983 4.417 18356 2858 1 4 . 1 1 7 7 VAL HA H 7 4.090 4.090 4.415 -0.325 18356 2859 1 4 . 1 1 7 7 VAL C C 7 175.500 175.500 175.000 0.500 18356 2860 1 4 . 1 1 7 7 VAL CA C 7 62.300 62.300 59.635 2.665 18356 2861 1 4 . 1 1 7 7 VAL CB C 7 32.500 32.500 32.429 0.070 18356 2862 1 4 . 1 1 7 7 VAL H H 7 8.790 8.790 8.018 0.772 18356 2863 1 4 . 1 1 8 8 ASP N N 8 131.400 131.400 126.068 5.332 18356 2864 1 4 . 1 1 8 8 ASP HA H 8 4.710 4.710 4.915 -0.205 18356 2865 1 4 . 1 1 8 8 ASP C C 8 175.800 175.800 175.836 -0.036 18356 2866 1 4 . 1 1 8 8 ASP CA C 8 53.900 53.900 51.273 2.627 18356 2867 1 4 . 1 1 8 8 ASP CB C 8 44.800 44.800 42.401 2.399 18356 2868 1 4 . 1 1 8 8 ASP H H 8 8.800 8.800 8.624 0.176 18356 2869 1 4 . 1 1 9 9 PRO HA H 9 4.480 4.480 4.258 0.222 18356 2870 1 4 . 1 1 9 9 PRO CA C 9 63.000 63.000 64.696 -1.696 18356 2871 1 4 . 1 1 10 10 ASP N N 10 116.700 116.700 117.466 -0.766 18356 2872 1 4 . 1 1 10 10 ASP HA H 10 4.780 4.780 4.492 0.288 18356 2873 1 4 . 1 1 10 10 ASP C C 10 179.100 179.100 178.278 0.822 18356 2874 1 4 . 1 1 10 10 ASP CA C 10 56.200 56.200 56.136 0.064 18356 2875 1 4 . 1 1 10 10 ASP CB C 10 40.700 40.700 40.992 -0.292 18356 2876 1 4 . 1 1 10 10 ASP H H 10 9.060 9.060 9.170 -0.110 18356 2877 1 4 . 1 1 11 11 VAL N N 11 122.600 122.600 119.078 3.522 18356 2878 1 4 . 1 1 11 11 VAL HA H 11 3.630 3.630 3.604 0.026 18356 2879 1 4 . 1 1 11 11 VAL C C 11 176.900 176.900 177.748 -0.848 18356 2880 1 4 . 1 1 11 11 VAL CA C 11 67.400 67.400 66.385 1.015 18356 2881 1 4 . 1 1 11 11 VAL CB C 11 31.100 31.100 31.412 -0.312 18356 2882 1 4 . 1 1 11 11 VAL H H 11 8.510 8.510 7.486 1.024 18356 2883 1 4 . 1 1 12 12 GLN N N 12 117.400 117.400 118.032 -0.632 18356 2884 1 4 . 1 1 12 12 GLN HA H 12 4.030 4.030 4.141 -0.111 18356 2885 1 4 . 1 1 12 12 GLN C C 12 178.800 178.800 178.564 0.236 18356 2886 1 4 . 1 1 12 12 GLN CA C 12 59.800 59.800 59.119 0.681 18356 2887 1 4 . 1 1 12 12 GLN CB C 12 29.000 29.000 28.596 0.404 18356 2888 1 4 . 1 1 12 12 GLN H H 12 7.740 7.740 7.647 0.093 18356 2889 1 4 . 1 1 13 13 THR N N 13 113.600 113.600 116.807 -3.207 18356 2890 1 4 . 1 1 13 13 THR HA H 13 4.020 4.020 3.999 0.021 18356 2891 1 4 . 1 1 13 13 THR C C 13 177.600 177.600 177.001 0.599 18356 2892 1 4 . 1 1 13 13 THR CA C 13 66.100 66.100 66.608 -0.508 18356 2893 1 4 . 1 1 13 13 THR CB C 13 68.400 68.400 68.278 0.122 18356 2894 1 4 . 1 1 13 13 THR H H 13 7.910 7.910 7.820 0.090 18356 2895 1 4 . 1 1 14 14 SER N N 14 118.100 118.100 117.174 0.926 18356 2896 1 4 . 1 1 14 14 SER HA H 14 4.330 4.330 4.360 -0.030 18356 2897 1 4 . 1 1 14 14 SER C C 14 175.900 175.900 176.247 -0.347 18356 2898 1 4 . 1 1 14 14 SER CA C 14 63.400 63.400 61.882 1.518 18356 2899 1 4 . 1 1 14 14 SER CB C 14 62.300 62.300 62.741 -0.441 18356 2900 1 4 . 1 1 14 14 SER H H 14 8.630 8.630 7.955 0.675 18356 2901 1 4 . 1 1 15 15 PHE N N 15 122.400 122.400 120.548 1.852 18356 2902 1 4 . 1 1 15 15 PHE HA H 15 4.260 4.260 4.439 -0.179 18356 2903 1 4 . 1 1 15 15 PHE C C 15 178.900 178.900 177.527 1.373 18356 2904 1 4 . 1 1 15 15 PHE CA C 15 62.200 62.200 60.143 2.057 18356 2905 1 4 . 1 1 15 15 PHE CB C 15 40.000 40.000 38.277 1.723 18356 2906 1 4 . 1 1 15 15 PHE H H 15 8.280 8.280 7.108 1.172 18356 2907 1 4 . 1 1 16 16 GLN N N 16 121.400 121.400 119.517 1.883 18356 2908 1 4 . 1 1 16 16 GLN HA H 16 3.970 3.970 4.147 -0.177 18356 2909 1 4 . 1 1 16 16 GLN C C 16 177.600 177.600 178.512 -0.912 18356 2910 1 4 . 1 1 16 16 GLN CA C 16 59.400 59.400 58.725 0.675 18356 2911 1 4 . 1 1 16 16 GLN CB C 16 28.100 28.100 28.060 0.040 18356 2912 1 4 . 1 1 16 16 GLN H H 16 8.600 8.600 7.881 0.719 18356 2913 1 4 . 1 1 17 17 LYS N N 17 117.000 117.000 118.296 -1.296 18356 2914 1 4 . 1 1 17 17 LYS HA H 17 4.180 4.180 4.237 -0.057 18356 2915 1 4 . 1 1 17 17 LYS C C 17 175.200 175.200 179.425 -4.225 18356 2916 1 4 . 1 1 17 17 LYS CA C 17 58.800 58.800 58.809 -0.009 18356 2917 1 4 . 1 1 17 17 LYS CB C 17 33.300 33.300 32.113 1.187 18356 2918 1 4 . 1 1 17 17 LYS H H 17 7.440 7.440 7.686 -0.246 18356 2919 1 4 . 1 1 18 18 LEU N N 18 118.900 118.900 122.578 -3.678 18356 2920 1 4 . 1 1 18 18 LEU HA H 18 4.440 4.440 4.617 -0.177 18356 2921 1 4 . 1 1 18 18 LEU C C 18 173.600 173.600 178.665 -5.065 18356 2922 1 4 . 1 1 18 18 LEU CA C 18 57.200 57.200 57.252 -0.052 18356 2923 1 4 . 1 1 18 18 LEU CB C 18 44.200 44.200 42.357 1.843 18356 2924 1 4 . 1 1 18 18 LEU H H 18 7.510 7.510 7.840 -0.330 18356 2925 1 4 . 1 1 19 19 SER N N 19 110.200 110.200 113.483 -3.283 18356 2926 1 4 . 1 1 19 19 SER HA H 19 3.980 3.980 4.409 -0.429 18356 2927 1 4 . 1 1 19 19 SER C C 19 174.400 174.400 175.202 -0.802 18356 2928 1 4 . 1 1 19 19 SER CA C 19 59.500 59.500 61.081 -1.581 18356 2929 1 4 . 1 1 19 19 SER CB C 19 65.200 65.200 63.224 1.976 18356 2930 1 4 . 1 1 19 19 SER H H 19 7.860 7.860 8.069 -0.209 18356 2931 1 4 . 1 1 20 20 GLU N N 20 120.500 120.500 118.094 2.406 18356 2932 1 4 . 1 1 20 20 GLU HA H 20 4.530 4.530 4.555 -0.025 18356 2933 1 4 . 1 1 20 20 GLU C C 20 176.100 176.100 176.460 -0.360 18356 2934 1 4 . 1 1 20 20 GLU CA C 20 55.400 55.400 55.350 0.050 18356 2935 1 4 . 1 1 20 20 GLU CB C 20 31.700 31.700 30.817 0.883 18356 2936 1 4 . 1 1 20 20 GLU H H 20 7.990 7.990 7.580 0.410 18356 2937 1 4 . 1 1 21 21 GLY N N 21 107.000 107.000 107.535 -0.535 18356 2938 1 4 . 1 1 21 21 GLY C C 21 175.400 175.400 172.745 2.655 18356 2939 1 4 . 1 1 21 21 GLY CA C 21 46.800 46.800 45.375 1.425 18356 2940 1 4 . 1 1 21 21 GLY H H 21 8.480 8.480 7.379 1.101 18356 2941 1 4 . 1 1 22 22 ARG N N 22 124.100 124.100 119.078 5.022 18356 2942 1 4 . 1 1 22 22 ARG HA H 22 4.130 4.130 4.694 -0.564 18356 2943 1 4 . 1 1 22 22 ARG C C 22 175.900 175.900 176.965 -1.065 18356 2944 1 4 . 1 1 22 22 ARG CA C 22 56.900 56.900 55.619 1.281 18356 2945 1 4 . 1 1 22 22 ARG CB C 22 29.900 29.900 30.954 -1.054 18356 2946 1 4 . 1 1 22 22 ARG H H 22 8.680 8.680 8.729 -0.049 18356 2947 1 4 . 1 1 23 23 LYS N N 23 117.800 117.800 118.900 -1.100 18356 2948 1 4 . 1 1 23 23 LYS HA H 23 3.950 3.950 4.240 -0.290 18356 2949 1 4 . 1 1 23 23 LYS C C 23 176.200 176.200 177.412 -1.212 18356 2950 1 4 . 1 1 23 23 LYS CA C 23 57.200 57.200 58.902 -1.702 18356 2951 1 4 . 1 1 23 23 LYS CB C 23 29.900 29.900 32.079 -2.179 18356 2952 1 4 . 1 1 23 23 LYS H H 23 8.130 8.130 8.289 -0.159 18356 2953 1 4 . 1 1 24 24 GLU N N 24 117.900 117.900 119.278 -1.378 18356 2954 1 4 . 1 1 24 24 GLU HA H 24 3.910 3.910 4.026 -0.116 18356 2955 1 4 . 1 1 24 24 GLU C C 24 177.500 177.500 175.277 2.223 18356 2956 1 4 . 1 1 24 24 GLU CA C 24 58.500 58.500 57.593 0.907 18356 2957 1 4 . 1 1 24 24 GLU CB C 24 30.900 30.900 29.385 1.515 18356 2958 1 4 . 1 1 24 24 GLU H H 24 8.170 8.170 8.870 -0.700 18356 2959 1 4 . 1 1 25 25 TYR N N 25 113.100 113.100 118.266 -5.166 18356 2960 1 4 . 1 1 25 25 TYR HA H 25 4.530 4.530 4.724 -0.194 18356 2961 1 4 . 1 1 25 25 TYR C C 25 173.600 173.600 175.139 -1.539 18356 2962 1 4 . 1 1 25 25 TYR CA C 25 55.300 55.300 57.216 -1.916 18356 2963 1 4 . 1 1 25 25 TYR CB C 25 40.200 40.200 40.032 0.168 18356 2964 1 4 . 1 1 25 25 TYR H H 25 6.950 6.950 7.745 -0.795 18356 2965 1 4 . 1 1 26 26 ARG N N 26 120.500 120.500 123.799 -3.299 18356 2966 1 4 . 1 1 26 26 ARG HA H 26 4.660 4.660 4.343 0.317 18356 2967 1 4 . 1 1 26 26 ARG C C 26 174.600 174.600 176.039 -1.439 18356 2968 1 4 . 1 1 26 26 ARG CA C 26 54.000 54.000 57.165 -3.165 18356 2969 1 4 . 1 1 26 26 ARG CB C 26 31.500 31.500 31.282 0.218 18356 2970 1 4 . 1 1 26 26 ARG H H 26 9.450 9.450 8.712 0.738 18356 2971 1 4 . 1 1 27 27 TYR N N 27 109.700 109.700 112.098 -2.398 18356 2972 1 4 . 1 1 27 27 TYR HA H 27 4.930 4.930 4.952 -0.022 18356 2973 1 4 . 1 1 27 27 TYR C C 27 172.700 172.700 174.044 -1.344 18356 2974 1 4 . 1 1 27 27 TYR CA C 27 56.200 56.200 56.526 -0.326 18356 2975 1 4 . 1 1 27 27 TYR CB C 27 40.800 40.800 40.535 0.265 18356 2976 1 4 . 1 1 27 27 TYR H H 27 7.450 7.450 7.382 0.068 18356 2977 1 4 . 1 1 28 28 ILE N N 28 117.400 117.400 122.300 -4.900 18356 2978 1 4 . 1 1 28 28 ILE HA H 28 4.780 4.780 4.461 0.319 18356 2979 1 4 . 1 1 28 28 ILE C C 28 174.400 174.400 173.568 0.832 18356 2980 1 4 . 1 1 28 28 ILE CA C 28 60.200 60.200 60.238 -0.038 18356 2981 1 4 . 1 1 28 28 ILE CB C 28 43.300 43.300 42.792 0.508 18356 2982 1 4 . 1 1 28 28 ILE H H 28 8.750 8.750 8.610 0.140 18356 2983 1 4 . 1 1 29 29 ILE N N 29 125.100 125.100 127.775 -2.675 18356 2984 1 4 . 1 1 29 29 ILE HA H 29 4.670 4.670 5.444 -0.774 18356 2985 1 4 . 1 1 29 29 ILE C C 29 174.600 174.600 173.386 1.214 18356 2986 1 4 . 1 1 29 29 ILE CA C 29 60.800 60.800 59.441 1.359 18356 2987 1 4 . 1 1 29 29 ILE CB C 29 40.500 40.500 41.410 -0.910 18356 2988 1 4 . 1 1 29 29 ILE H H 29 9.180 9.180 7.991 1.189 18356 2989 1 4 . 1 1 30 30 PHE N N 30 126.100 126.100 128.471 -2.371 18356 2990 1 4 . 1 1 30 30 PHE HA H 30 5.760 5.760 5.835 -0.075 18356 2991 1 4 . 1 1 30 30 PHE C C 30 174.100 174.100 175.035 -0.935 18356 2992 1 4 . 1 1 30 30 PHE CA C 30 55.900 55.900 56.412 -0.512 18356 2993 1 4 . 1 1 30 30 PHE CB C 30 42.300 42.300 42.744 -0.444 18356 2994 1 4 . 1 1 30 30 PHE H H 30 9.650 9.650 9.753 -0.103 18356 2995 1 4 . 1 1 31 31 LYS N N 31 118.900 118.900 121.264 -2.364 18356 2996 1 4 . 1 1 31 31 LYS HA H 31 5.320 5.320 5.615 -0.295 18356 2997 1 4 . 1 1 31 31 LYS C C 31 173.000 173.000 174.500 -1.500 18356 2998 1 4 . 1 1 31 31 LYS CA C 31 53.800 53.800 54.950 -1.150 18356 2999 1 4 . 1 1 31 31 LYS CB C 31 38.100 38.100 37.602 0.498 18356 3000 1 4 . 1 1 31 31 LYS H H 31 8.990 8.990 9.409 -0.419 18356 3001 1 4 . 1 1 32 32 ILE N N 32 120.500 120.500 125.069 -4.569 18356 3002 1 4 . 1 1 32 32 ILE HA H 32 4.780 4.780 5.081 -0.301 18356 3003 1 4 . 1 1 32 32 ILE C C 32 175.200 175.200 173.729 1.471 18356 3004 1 4 . 1 1 32 32 ILE CA C 32 60.700 60.700 59.343 1.357 18356 3005 1 4 . 1 1 32 32 ILE CB C 32 41.300 41.300 40.922 0.378 18356 3006 1 4 . 1 1 32 32 ILE H H 32 8.420 8.420 8.645 -0.225 18356 3007 1 4 . 1 1 33 33 ASP N N 33 130.100 130.100 129.323 0.777 18356 3008 1 4 . 1 1 33 33 ASP HA H 33 4.880 4.880 4.867 0.013 18356 3009 1 4 . 1 1 33 33 ASP C C 33 175.300 175.300 177.555 -2.255 18356 3010 1 4 . 1 1 33 33 ASP CA C 33 53.500 53.500 53.004 0.496 18356 3011 1 4 . 1 1 33 33 ASP CB C 33 44.500 44.500 43.291 1.209 18356 3012 1 4 . 1 1 33 33 ASP H H 33 9.270 9.270 8.355 0.915 18356 3013 1 4 . 1 1 34 34 GLU N N 34 123.600 123.600 124.932 -1.332 18356 3014 1 4 . 1 1 34 34 GLU HA H 34 3.730 3.730 4.107 -0.377 18356 3015 1 4 . 1 1 34 34 GLU C C 34 175.000 175.000 176.893 -1.893 18356 3016 1 4 . 1 1 34 34 GLU CA C 34 58.200 58.200 58.954 -0.754 18356 3017 1 4 . 1 1 34 34 GLU CB C 34 27.500 27.500 29.434 -1.934 18356 3018 1 4 . 1 1 34 34 GLU H H 34 9.040 9.040 8.929 0.111 18356 3019 1 4 . 1 1 35 35 ASN N N 35 114.200 114.200 117.714 -3.514 18356 3020 1 4 . 1 1 35 35 ASN HA H 35 4.380 4.380 4.628 -0.248 18356 3021 1 4 . 1 1 35 35 ASN C C 35 173.500 173.500 175.241 -1.741 18356 3022 1 4 . 1 1 35 35 ASN CA C 35 53.700 53.700 54.584 -0.884 18356 3023 1 4 . 1 1 35 35 ASN CB C 35 38.500 38.500 39.716 -1.216 18356 3024 1 4 . 1 1 35 35 ASN H H 35 8.570 8.570 8.434 0.136 18356 3025 1 4 . 1 1 36 36 LYS N N 36 118.400 118.400 120.600 -2.200 18356 3026 1 4 . 1 1 36 36 LYS HA H 36 5.340 5.340 4.549 0.791 18356 3027 1 4 . 1 1 36 36 LYS C C 36 174.900 174.900 176.880 -1.980 18356 3028 1 4 . 1 1 36 36 LYS CA C 36 54.500 54.500 54.549 -0.049 18356 3029 1 4 . 1 1 36 36 LYS CB C 36 36.100 36.100 32.339 3.761 18356 3030 1 4 . 1 1 36 36 LYS H H 36 7.750 7.750 7.848 -0.098 18356 3031 1 4 . 1 1 37 37 VAL N N 37 122.900 122.900 123.134 -0.234 18356 3032 1 4 . 1 1 37 37 VAL HA H 37 4.550 4.550 4.234 0.316 18356 3033 1 4 . 1 1 37 37 VAL C C 37 174.600 174.600 174.143 0.457 18356 3034 1 4 . 1 1 37 37 VAL CA C 37 62.000 62.000 61.639 0.361 18356 3035 1 4 . 1 1 37 37 VAL CB C 37 32.300 32.300 29.603 2.697 18356 3036 1 4 . 1 1 37 37 VAL H H 37 8.790 8.790 8.889 -0.099 18356 3037 1 4 . 1 1 38 38 ILE N N 38 119.600 119.600 122.150 -2.550 18356 3038 1 4 . 1 1 38 38 ILE HA H 38 4.880 4.880 5.329 -0.449 18356 3039 1 4 . 1 1 38 38 ILE C C 38 176.200 176.200 176.022 0.178 18356 3040 1 4 . 1 1 38 38 ILE CA C 38 59.300 59.300 59.077 0.223 18356 3041 1 4 . 1 1 38 38 ILE CB C 38 42.800 42.800 42.882 -0.082 18356 3042 1 4 . 1 1 38 38 ILE H H 38 9.230 9.230 8.012 1.218 18356 3043 1 4 . 1 1 39 39 VAL N N 39 121.300 121.300 125.349 -4.049 18356 3044 1 4 . 1 1 39 39 VAL HA H 39 3.850 3.850 4.365 -0.515 18356 3045 1 4 . 1 1 39 39 VAL C C 39 175.300 175.300 175.921 -0.621 18356 3046 1 4 . 1 1 39 39 VAL CA C 39 63.900 63.900 62.756 1.144 18356 3047 1 4 . 1 1 39 39 VAL CB C 39 32.100 32.100 30.869 1.231 18356 3048 1 4 . 1 1 39 39 VAL H H 39 9.070 9.070 8.307 0.763 18356 3049 1 4 . 1 1 40 40 GLU N N 40 131.200 131.200 127.226 3.974 18356 3050 1 4 . 1 1 40 40 GLU HA H 40 4.270 4.270 4.685 -0.415 18356 3051 1 4 . 1 1 40 40 GLU C C 40 176.000 176.000 174.807 1.193 18356 3052 1 4 . 1 1 40 40 GLU CA C 40 57.200 57.200 54.520 2.680 18356 3053 1 4 . 1 1 40 40 GLU CB C 40 32.300 32.300 31.924 0.376 18356 3054 1 4 . 1 1 40 40 GLU H H 40 9.230 9.230 8.976 0.254 18356 3055 1 4 . 1 1 41 41 ALA N N 41 118.100 118.100 125.078 -6.978 18356 3056 1 4 . 1 1 41 41 ALA HA H 41 4.440 4.440 3.864 0.576 18356 3057 1 4 . 1 1 41 41 ALA C C 41 173.300 173.300 176.118 -2.818 18356 3058 1 4 . 1 1 41 41 ALA CA C 41 52.000 52.000 50.872 1.128 18356 3059 1 4 . 1 1 41 41 ALA CB C 41 21.800 21.800 18.881 2.919 18356 3060 1 4 . 1 1 41 41 ALA H H 41 7.670 7.670 8.467 -0.797 18356 3061 1 4 . 1 1 42 42 ALA N N 42 127.600 127.600 128.045 -0.445 18356 3062 1 4 . 1 1 42 42 ALA HA H 42 4.520 4.520 4.818 -0.298 18356 3063 1 4 . 1 1 42 42 ALA C C 42 174.900 174.900 175.731 -0.831 18356 3064 1 4 . 1 1 42 42 ALA CA C 42 51.700 51.700 50.545 1.155 18356 3065 1 4 . 1 1 42 42 ALA CB C 42 19.100 19.100 22.311 -3.211 18356 3066 1 4 . 1 1 42 42 ALA H H 42 8.480 8.480 8.672 -0.192 18356 3067 1 4 . 1 1 43 43 VAL N N 43 124.900 124.900 118.651 6.249 18356 3068 1 4 . 1 1 43 43 VAL HA H 43 4.350 4.350 4.358 -0.008 18356 3069 1 4 . 1 1 43 43 VAL C C 43 176.100 176.100 175.402 0.698 18356 3070 1 4 . 1 1 43 43 VAL CA C 43 62.100 62.100 61.046 1.054 18356 3071 1 4 . 1 1 43 43 VAL CB C 43 34.300 34.300 32.184 2.116 18356 3072 1 4 . 1 1 43 43 VAL H H 43 7.820 7.820 8.224 -0.404 18356 3073 1 4 . 1 1 44 44 THR N N 44 119.400 119.400 117.777 1.623 18356 3074 1 4 . 1 1 44 44 THR HA H 44 4.800 4.800 4.481 0.319 18356 3075 1 4 . 1 1 44 44 THR C C 44 174.300 174.300 175.696 -1.396 18356 3076 1 4 . 1 1 44 44 THR CA C 44 60.300 60.300 61.068 -0.768 18356 3077 1 4 . 1 1 44 44 THR CB C 44 71.200 71.200 70.204 0.996 18356 3078 1 4 . 1 1 44 44 THR H H 44 8.670 8.670 8.122 0.548 18356 3079 1 4 . 1 1 45 45 GLN N N 45 119.800 119.800 118.494 1.306 18356 3080 1 4 . 1 1 45 45 GLN HA H 45 4.010 4.010 4.216 -0.206 18356 3081 1 4 . 1 1 45 45 GLN C C 45 179.600 179.600 177.596 2.004 18356 3082 1 4 . 1 1 45 45 GLN CA C 45 59.000 59.000 58.289 0.711 18356 3083 1 4 . 1 1 45 45 GLN CB C 45 27.600 27.600 28.313 -0.713 18356 3084 1 4 . 1 1 45 45 GLN H H 45 8.660 8.660 9.259 -0.599 18356 3085 1 4 . 1 1 46 46 ASP N N 46 117.300 117.300 120.920 -3.620 18356 3086 1 4 . 1 1 46 46 ASP HA H 46 4.390 4.390 4.256 0.134 18356 3087 1 4 . 1 1 46 46 ASP C C 46 178.900 178.900 176.926 1.974 18356 3088 1 4 . 1 1 46 46 ASP CA C 46 57.100 57.100 57.066 0.034 18356 3089 1 4 . 1 1 46 46 ASP CB C 46 40.800 40.800 39.826 0.974 18356 3090 1 4 . 1 1 46 46 ASP H H 46 8.430 8.430 8.259 0.171 18356 3091 1 4 . 1 1 47 47 GLN N N 47 118.900 118.900 117.734 1.166 18356 3092 1 4 . 1 1 47 47 GLN HA H 47 4.030 4.030 4.563 -0.533 18356 3093 1 4 . 1 1 47 47 GLN C C 47 178.000 178.000 178.053 -0.053 18356 3094 1 4 . 1 1 47 47 GLN CA C 47 57.800 57.800 57.805 -0.005 18356 3095 1 4 . 1 1 47 47 GLN CB C 47 29.100 29.100 28.481 0.619 18356 3096 1 4 . 1 1 47 47 GLN H H 47 7.830 7.830 7.642 0.188 18356 3097 1 4 . 1 1 48 48 LEU N N 48 118.100 118.100 120.105 -2.005 18356 3098 1 4 . 1 1 48 48 LEU HA H 48 4.180 4.180 4.247 -0.067 18356 3099 1 4 . 1 1 48 48 LEU C C 48 177.600 177.600 178.788 -1.188 18356 3100 1 4 . 1 1 48 48 LEU CA C 48 56.300 56.300 56.328 -0.028 18356 3101 1 4 . 1 1 48 48 LEU CB C 48 43.100 43.100 41.655 1.445 18356 3102 1 4 . 1 1 48 48 LEU H H 48 7.560 7.560 7.906 -0.346 18356 3103 1 4 . 1 1 49 49 GLY N N 49 105.600 105.600 107.089 -1.489 18356 3104 1 4 . 1 1 49 49 GLY C C 49 174.700 174.700 174.547 0.153 18356 3105 1 4 . 1 1 49 49 GLY CA C 49 47.000 47.000 45.486 1.514 18356 3106 1 4 . 1 1 49 49 GLY H H 49 7.570 7.570 7.530 0.040 18356 3107 1 4 . 1 1 50 50 ILE N N 50 117.700 117.700 122.357 -4.657 18356 3108 1 4 . 1 1 50 50 ILE HA H 50 4.340 4.340 4.415 -0.075 18356 3109 1 4 . 1 1 50 50 ILE C C 50 176.500 176.500 174.411 2.089 18356 3110 1 4 . 1 1 50 50 ILE CA C 50 59.900 59.900 60.351 -0.451 18356 3111 1 4 . 1 1 50 50 ILE CB C 50 38.900 38.900 40.026 -1.126 18356 3112 1 4 . 1 1 50 50 ILE H H 50 7.940 7.940 7.588 0.352 18356 3113 1 4 . 1 1 51 51 THR N N 51 117.500 117.500 124.627 -7.127 18356 3114 1 4 . 1 1 51 51 THR HA H 51 4.420 4.420 4.534 -0.114 18356 3115 1 4 . 1 1 51 51 THR C C 51 174.900 174.900 175.284 -0.384 18356 3116 1 4 . 1 1 51 51 THR CA C 51 61.700 61.700 62.706 -1.006 18356 3117 1 4 . 1 1 51 51 THR CB C 51 69.900 69.900 69.219 0.681 18356 3118 1 4 . 1 1 51 51 THR H H 51 8.480 8.480 8.585 -0.105 18356 3119 1 4 . 1 1 52 52 GLY N N 52 111.200 111.200 116.396 -5.196 18356 3120 1 4 . 1 1 52 52 GLY C C 52 172.700 172.700 172.528 0.172 18356 3121 1 4 . 1 1 52 52 GLY CA C 52 44.600 44.600 44.725 -0.125 18356 3122 1 4 . 1 1 52 52 GLY H H 52 8.080 8.080 8.635 -0.555 18356 3123 1 4 . 1 1 53 53 ASP N N 53 120.800 120.800 119.840 0.960 18356 3124 1 4 . 1 1 53 53 ASP HA H 53 4.660 4.660 4.810 -0.150 18356 3125 1 4 . 1 1 53 53 ASP C C 53 177.800 177.800 175.010 2.790 18356 3126 1 4 . 1 1 53 53 ASP CA C 53 53.900 53.900 52.995 0.905 18356 3127 1 4 . 1 1 53 53 ASP CB C 53 42.700 42.700 43.215 -0.515 18356 3128 1 4 . 1 1 53 53 ASP H H 53 8.490 8.490 8.212 0.278 18356 3129 1 4 . 1 1 54 54 ASP N N 54 124.100 124.100 119.042 5.058 18356 3130 1 4 . 1 1 54 54 ASP HA H 54 4.630 4.630 4.526 0.104 18356 3131 1 4 . 1 1 54 54 ASP C C 54 177.100 177.100 177.186 -0.086 18356 3132 1 4 . 1 1 54 54 ASP CA C 54 56.600 56.600 54.478 2.122 18356 3133 1 4 . 1 1 54 54 ASP CB C 54 42.800 42.800 41.550 1.250 18356 3134 1 4 . 1 1 54 54 ASP H H 54 8.500 8.500 8.460 0.040 18356 3135 1 4 . 1 1 55 55 TYR N N 55 114.900 114.900 118.132 -3.232 18356 3136 1 4 . 1 1 55 55 TYR HA H 55 4.560 4.560 4.505 0.055 18356 3137 1 4 . 1 1 55 55 TYR C C 55 178.900 178.900 177.257 1.643 18356 3138 1 4 . 1 1 55 55 TYR CA C 55 62.400 62.400 60.252 2.148 18356 3139 1 4 . 1 1 55 55 TYR CB C 55 37.300 37.300 37.417 -0.117 18356 3140 1 4 . 1 1 55 55 TYR H H 55 8.350 8.350 8.103 0.247 18356 3141 1 4 . 1 1 56 56 ASP N N 56 119.600 119.600 118.578 1.022 18356 3142 1 4 . 1 1 56 56 ASP HA H 56 4.560 4.560 4.553 0.007 18356 3143 1 4 . 1 1 56 56 ASP C C 56 177.300 177.300 176.590 0.710 18356 3144 1 4 . 1 1 56 56 ASP CA C 56 57.200 57.200 56.227 0.973 18356 3145 1 4 . 1 1 56 56 ASP CB C 56 40.600 40.600 40.534 0.066 18356 3146 1 4 . 1 1 56 56 ASP H H 56 8.320 8.320 7.802 0.518 18356 3147 1 4 . 1 1 57 57 ASP N N 57 116.600 116.600 119.440 -2.840 18356 3148 1 4 . 1 1 57 57 ASP HA H 57 4.940 4.940 4.641 0.299 18356 3149 1 4 . 1 1 57 57 ASP C C 57 178.100 178.100 177.441 0.659 18356 3150 1 4 . 1 1 57 57 ASP CA C 57 52.400 52.400 55.648 -3.248 18356 3151 1 4 . 1 1 57 57 ASP CB C 57 41.100 41.100 42.414 -1.314 18356 3152 1 4 . 1 1 57 57 ASP H H 57 7.740 7.740 8.005 -0.265 18356 3153 1 4 . 1 1 58 58 SER N N 58 117.600 117.600 113.390 4.210 18356 3154 1 4 . 1 1 58 58 SER HA H 58 4.800 4.800 4.760 0.040 18356 3155 1 4 . 1 1 58 58 SER C C 58 174.600 174.600 174.779 -0.179 18356 3156 1 4 . 1 1 58 58 SER CA C 58 60.200 60.200 58.678 1.522 18356 3157 1 4 . 1 1 58 58 SER CB C 58 63.000 63.000 65.564 -2.564 18356 3158 1 4 . 1 1 58 58 SER H H 58 8.130 8.130 8.184 -0.054 18356 3159 1 4 . 1 1 59 59 SER N N 59 105.400 105.400 116.528 -11.128 18356 3160 1 4 . 1 1 59 59 SER HA H 59 4.580 4.580 4.186 0.394 18356 3161 1 4 . 1 1 59 59 SER C C 59 173.200 173.200 175.584 -2.384 18356 3162 1 4 . 1 1 59 59 SER CA C 59 60.500 60.500 61.960 -1.460 18356 3163 1 4 . 1 1 59 59 SER CB C 59 66.100 66.100 61.388 4.712 18356 3164 1 4 . 1 1 59 59 SER H H 59 9.010 9.010 8.597 0.413 18356 3165 1 4 . 1 1 60 60 LYS N N 60 123.100 123.100 123.342 -0.242 18356 3166 1 4 . 1 1 60 60 LYS HA H 60 4.080 4.080 4.020 0.060 18356 3167 1 4 . 1 1 60 60 LYS C C 60 176.500 176.500 178.342 -1.842 18356 3168 1 4 . 1 1 60 60 LYS CA C 60 61.000 61.000 59.180 1.820 18356 3169 1 4 . 1 1 60 60 LYS CB C 60 32.800 32.800 32.500 0.300 18356 3170 1 4 . 1 1 60 60 LYS H H 60 7.450 7.450 8.262 -0.812 18356 3171 1 4 . 1 1 61 61 ALA N N 61 120.700 120.700 119.792 0.908 18356 3172 1 4 . 1 1 61 61 ALA HA H 61 4.130 4.130 4.218 -0.088 18356 3173 1 4 . 1 1 61 61 ALA C C 61 181.800 181.800 179.753 2.047 18356 3174 1 4 . 1 1 61 61 ALA CA C 61 55.500 55.500 54.742 0.758 18356 3175 1 4 . 1 1 61 61 ALA CB C 61 17.900 17.900 18.084 -0.184 18356 3176 1 4 . 1 1 61 61 ALA H H 61 8.800 8.800 7.942 0.858 18356 3177 1 4 . 1 1 62 62 ALA N N 62 119.900 119.900 121.202 -1.302 18356 3178 1 4 . 1 1 62 62 ALA HA H 62 4.040 4.040 4.060 -0.020 18356 3179 1 4 . 1 1 62 62 ALA C C 62 178.600 178.600 178.938 -0.338 18356 3180 1 4 . 1 1 62 62 ALA CA C 62 55.400 55.400 54.418 0.982 18356 3181 1 4 . 1 1 62 62 ALA CB C 62 19.700 19.700 18.707 0.993 18356 3182 1 4 . 1 1 62 62 ALA H H 62 8.760 8.760 7.679 1.081 18356 3183 1 4 . 1 1 63 63 PHE N N 63 120.400 120.400 117.623 2.777 18356 3184 1 4 . 1 1 63 63 PHE HA H 63 3.660 3.660 4.098 -0.438 18356 3185 1 4 . 1 1 63 63 PHE C C 63 177.300 177.300 178.400 -1.100 18356 3186 1 4 . 1 1 63 63 PHE CA C 63 62.200 62.200 62.099 0.101 18356 3187 1 4 . 1 1 63 63 PHE CB C 63 39.600 39.600 39.049 0.551 18356 3188 1 4 . 1 1 63 63 PHE H H 63 9.380 9.380 7.784 1.596 18356 3189 1 4 . 1 1 64 64 ASP N N 64 119.700 119.700 118.047 1.653 18356 3190 1 4 . 1 1 64 64 ASP HA H 64 4.410 4.410 4.594 -0.184 18356 3191 1 4 . 1 1 64 64 ASP C C 64 180.200 180.200 178.311 1.889 18356 3192 1 4 . 1 1 64 64 ASP CA C 64 57.700 57.700 57.434 0.266 18356 3193 1 4 . 1 1 64 64 ASP CB C 64 39.600 39.600 40.452 -0.852 18356 3194 1 4 . 1 1 64 64 ASP H H 64 9.180 9.180 8.432 0.748 18356 3195 1 4 . 1 1 65 65 LYS N N 65 119.800 119.800 119.685 0.115 18356 3196 1 4 . 1 1 65 65 LYS HA H 65 4.080 4.080 4.196 -0.116 18356 3197 1 4 . 1 1 65 65 LYS C C 65 179.100 179.100 177.894 1.206 18356 3198 1 4 . 1 1 65 65 LYS CA C 65 59.600 59.600 58.181 1.419 18356 3199 1 4 . 1 1 65 65 LYS CB C 65 32.500 32.500 31.401 1.099 18356 3200 1 4 . 1 1 65 65 LYS H H 65 7.420 7.420 7.567 -0.147 18356 3201 1 4 . 1 1 66 66 PHE N N 66 123.400 123.400 121.955 1.445 18356 3202 1 4 . 1 1 66 66 PHE HA H 66 4.340 4.340 4.212 0.128 18356 3203 1 4 . 1 1 66 66 PHE C C 66 175.900 175.900 177.028 -1.128 18356 3204 1 4 . 1 1 66 66 PHE CA C 66 59.900 59.900 60.275 -0.375 18356 3205 1 4 . 1 1 66 66 PHE CB C 66 38.300 38.300 39.166 -0.867 18356 3206 1 4 . 1 1 66 66 PHE H H 66 8.000 8.000 7.939 0.061 18356 3207 1 4 . 1 1 67 67 VAL N N 67 120.200 120.200 119.218 0.982 18356 3208 1 4 . 1 1 67 67 VAL HA H 67 2.600 2.600 3.735 -1.135 18356 3209 1 4 . 1 1 67 67 VAL C C 67 177.700 177.700 177.395 0.305 18356 3210 1 4 . 1 1 67 67 VAL CA C 67 67.100 67.100 64.716 2.384 18356 3211 1 4 . 1 1 67 67 VAL CB C 67 31.700 31.700 31.972 -0.272 18356 3212 1 4 . 1 1 67 67 VAL H H 67 8.500 8.500 7.620 0.880 18356 3213 1 4 . 1 1 68 68 GLU N N 68 118.300 118.300 120.892 -2.592 18356 3214 1 4 . 1 1 68 68 GLU HA H 68 3.800 3.800 3.947 -0.147 18356 3215 1 4 . 1 1 68 68 GLU C C 68 178.800 178.800 178.101 0.699 18356 3216 1 4 . 1 1 68 68 GLU CA C 68 59.500 59.500 59.356 0.144 18356 3217 1 4 . 1 1 68 68 GLU CB C 68 29.400 29.400 29.242 0.158 18356 3218 1 4 . 1 1 68 68 GLU H H 68 7.510 7.510 7.845 -0.335 18356 3219 1 4 . 1 1 69 69 ASP N N 69 121.400 121.400 118.628 2.772 18356 3220 1 4 . 1 1 69 69 ASP HA H 69 4.360 4.360 4.498 -0.138 18356 3221 1 4 . 1 1 69 69 ASP C C 69 178.100 178.100 178.184 -0.084 18356 3222 1 4 . 1 1 69 69 ASP CA C 69 56.500 56.500 56.325 0.175 18356 3223 1 4 . 1 1 69 69 ASP CB C 69 40.900 40.900 40.676 0.224 18356 3224 1 4 . 1 1 69 69 ASP H H 69 7.750 7.750 7.494 0.256 18356 3225 1 4 . 1 1 70 70 VAL N N 70 117.600 117.600 119.645 -2.045 18356 3226 1 4 . 1 1 70 70 VAL HA H 70 3.050 3.050 3.468 -0.418 18356 3227 1 4 . 1 1 70 70 VAL C C 70 179.900 179.900 177.117 2.783 18356 3228 1 4 . 1 1 70 70 VAL CA C 70 67.500 67.500 65.491 2.009 18356 3229 1 4 . 1 1 70 70 VAL CB C 70 32.400 32.400 31.544 0.856 18356 3230 1 4 . 1 1 70 70 VAL H H 70 8.230 8.230 7.639 0.591 18356 3231 1 4 . 1 1 71 71 LYS N N 71 120.900 120.900 119.425 1.475 18356 3232 1 4 . 1 1 71 71 LYS HA H 71 3.450 3.450 3.951 -0.501 18356 3233 1 4 . 1 1 71 71 LYS C C 71 177.700 177.700 178.301 -0.601 18356 3234 1 4 . 1 1 71 71 LYS CA C 71 61.900 61.900 58.796 3.104 18356 3235 1 4 . 1 1 71 71 LYS CB C 71 32.400 32.400 30.939 1.461 18356 3236 1 4 . 1 1 71 71 LYS H H 71 8.900 8.900 7.755 1.145 18356 3237 1 4 . 1 1 72 72 SER N N 72 114.200 114.200 116.867 -2.667 18356 3238 1 4 . 1 1 72 72 SER HA H 72 4.340 4.340 4.133 0.207 18356 3239 1 4 . 1 1 72 72 SER C C 72 178.300 178.300 176.538 1.762 18356 3240 1 4 . 1 1 72 72 SER CA C 72 61.500 61.500 61.482 0.018 18356 3241 1 4 . 1 1 72 72 SER CB C 72 63.000 63.000 62.725 0.275 18356 3242 1 4 . 1 1 72 72 SER H H 72 8.000 8.000 8.473 -0.473 18356 3243 1 4 . 1 1 73 73 ARG N N 73 119.700 119.700 120.765 -1.065 18356 3244 1 4 . 1 1 73 73 ARG HA H 73 4.160 4.160 3.960 0.200 18356 3245 1 4 . 1 1 73 73 ARG C C 73 177.000 177.000 177.637 -0.637 18356 3246 1 4 . 1 1 73 73 ARG CA C 73 58.700 58.700 59.622 -0.922 18356 3247 1 4 . 1 1 73 73 ARG CB C 73 30.300 30.300 30.213 0.087 18356 3248 1 4 . 1 1 73 73 ARG H H 73 8.430 8.430 7.885 0.545 18356 3249 1 4 . 1 1 74 74 THR N N 74 103.500 103.500 110.171 -6.671 18356 3250 1 4 . 1 1 74 74 THR HA H 74 4.210 4.210 4.462 -0.252 18356 3251 1 4 . 1 1 74 74 THR C C 74 173.500 173.500 175.631 -2.131 18356 3252 1 4 . 1 1 74 74 THR CA C 74 60.300 60.300 62.620 -2.320 18356 3253 1 4 . 1 1 74 74 THR CB C 74 70.100 70.100 69.432 0.668 18356 3254 1 4 . 1 1 74 74 THR H H 74 7.400 7.400 7.772 -0.372 18356 3255 1 4 . 1 1 75 75 ASP N N 75 121.300 121.300 123.260 -1.960 18356 3256 1 4 . 1 1 75 75 ASP HA H 75 4.280 4.280 4.504 -0.224 18356 3257 1 4 . 1 1 75 75 ASP C C 75 176.500 176.500 177.270 -0.770 18356 3258 1 4 . 1 1 75 75 ASP CA C 75 55.300 55.300 56.165 -0.865 18356 3259 1 4 . 1 1 75 75 ASP CB C 75 38.400 38.400 41.292 -2.892 18356 3260 1 4 . 1 1 75 75 ASP H H 75 7.900 7.900 8.335 -0.435 18356 3261 1 4 . 1 1 76 76 ASN N N 76 116.400 116.400 118.299 -1.899 18356 3262 1 4 . 1 1 76 76 ASN HA H 76 4.000 4.000 4.805 -0.805 18356 3263 1 4 . 1 1 76 76 ASN C C 76 173.600 173.600 175.215 -1.615 18356 3264 1 4 . 1 1 76 76 ASN CA C 76 54.000 54.000 52.696 1.304 18356 3265 1 4 . 1 1 76 76 ASN CB C 76 36.600 36.600 39.005 -2.405 18356 3266 1 4 . 1 1 76 76 ASN H H 76 9.070 9.070 7.906 1.164 18356 3267 1 4 . 1 1 77 77 LEU N N 77 112.300 112.300 115.154 -2.854 18356 3268 1 4 . 1 1 77 77 LEU HA H 77 3.670 3.670 3.842 -0.172 18356 3269 1 4 . 1 1 77 77 LEU C C 77 175.200 175.200 176.189 -0.989 18356 3270 1 4 . 1 1 77 77 LEU CA C 77 55.900 55.900 57.197 -1.297 18356 3271 1 4 . 1 1 77 77 LEU CB C 77 37.900 37.900 40.144 -2.244 18356 3272 1 4 . 1 1 77 77 LEU H H 77 7.840 7.840 7.494 0.346 18356 3273 1 4 . 1 1 78 78 THR N N 78 106.000 106.000 116.233 -10.233 18356 3274 1 4 . 1 1 78 78 THR HA H 78 4.220 4.220 4.601 -0.381 18356 3275 1 4 . 1 1 78 78 THR C C 78 172.200 172.200 172.326 -0.126 18356 3276 1 4 . 1 1 78 78 THR CA C 78 60.600 60.600 61.872 -1.272 18356 3277 1 4 . 1 1 78 78 THR CB C 78 69.300 69.300 70.110 -0.810 18356 3278 1 4 . 1 1 78 78 THR H H 78 8.240 8.240 7.836 0.404 18356 3279 1 4 . 1 1 79 79 ASP N N 79 118.600 118.600 122.983 -4.383 18356 3280 1 4 . 1 1 79 79 ASP HA H 79 4.730 4.730 4.873 -0.143 18356 3281 1 4 . 1 1 79 79 ASP C C 79 173.000 173.000 174.261 -1.261 18356 3282 1 4 . 1 1 79 79 ASP CA C 79 51.500 51.500 52.666 -1.166 18356 3283 1 4 . 1 1 79 79 ASP CB C 79 44.300 44.300 43.310 0.990 18356 3284 1 4 . 1 1 79 79 ASP H H 79 7.490 7.490 7.818 -0.328 18356 3285 1 4 . 1 1 80 80 CYS N N 80 115.900 115.900 118.727 -2.827 18356 3286 1 4 . 1 1 80 80 CYS HA H 80 4.470 4.470 4.411 0.059 18356 3287 1 4 . 1 1 80 80 CYS C C 80 174.000 174.000 173.491 0.509 18356 3288 1 4 . 1 1 80 80 CYS CA C 80 56.300 56.300 58.245 -1.945 18356 3289 1 4 . 1 1 80 80 CYS CB C 80 29.500 29.500 30.480 -0.980 18356 3290 1 4 . 1 1 80 80 CYS H H 80 8.480 8.480 8.271 0.209 18356 3291 1 4 . 1 1 81 81 ARG N N 81 115.600 115.600 122.384 -6.784 18356 3292 1 4 . 1 1 81 81 ARG HA H 81 4.680 4.680 5.223 -0.543 18356 3293 1 4 . 1 1 81 81 ARG C C 81 175.500 175.500 174.428 1.072 18356 3294 1 4 . 1 1 81 81 ARG CA C 81 54.200 54.200 53.901 0.299 18356 3295 1 4 . 1 1 81 81 ARG CB C 81 39.000 39.000 34.135 4.865 18356 3296 1 4 . 1 1 81 81 ARG H H 81 8.380 8.380 8.653 -0.273 18356 3297 1 4 . 1 1 82 82 TYR N N 82 114.200 114.200 121.225 -7.025 18356 3298 1 4 . 1 1 82 82 TYR HA H 82 5.780 5.780 4.882 0.898 18356 3299 1 4 . 1 1 82 82 TYR C C 82 175.200 175.200 174.593 0.607 18356 3300 1 4 . 1 1 82 82 TYR CA C 82 55.200 55.200 56.716 -1.516 18356 3301 1 4 . 1 1 82 82 TYR CB C 82 42.200 42.200 42.413 -0.213 18356 3302 1 4 . 1 1 82 82 TYR H H 82 8.170 8.170 9.307 -1.137 18356 3303 1 4 . 1 1 83 83 ALA N N 83 121.300 121.300 125.859 -4.559 18356 3304 1 4 . 1 1 83 83 ALA HA H 83 5.730 5.730 5.218 0.512 18356 3305 1 4 . 1 1 83 83 ALA C C 83 175.900 175.900 175.368 0.532 18356 3306 1 4 . 1 1 83 83 ALA CA C 83 52.000 52.000 50.626 1.374 18356 3307 1 4 . 1 1 83 83 ALA CB C 83 24.300 24.300 21.680 2.620 18356 3308 1 4 . 1 1 83 83 ALA H H 83 8.780 8.780 9.182 -0.402 18356 3309 1 4 . 1 1 84 84 VAL N N 84 111.700 111.700 124.464 -12.764 18356 3310 1 4 . 1 1 84 84 VAL HA H 84 6.180 6.180 5.338 0.842 18356 3311 1 4 . 1 1 84 84 VAL C C 84 176.900 176.900 174.658 2.242 18356 3312 1 4 . 1 1 84 84 VAL CA C 84 58.800 58.800 61.739 -2.939 18356 3313 1 4 . 1 1 84 84 VAL CB C 84 35.600 35.600 34.945 0.655 18356 3314 1 4 . 1 1 84 84 VAL H H 84 9.150 9.150 8.873 0.277 18356 3315 1 4 . 1 1 85 85 PHE N N 85 121.600 121.600 122.586 -0.986 18356 3316 1 4 . 1 1 85 85 PHE HA H 85 4.710 4.710 5.051 -0.341 18356 3317 1 4 . 1 1 85 85 PHE C C 85 176.500 176.500 172.868 3.632 18356 3318 1 4 . 1 1 85 85 PHE CA C 85 57.200 57.200 56.807 0.393 18356 3319 1 4 . 1 1 85 85 PHE CB C 85 43.900 43.900 41.871 2.029 18356 3320 1 4 . 1 1 85 85 PHE H H 85 8.780 8.780 8.043 0.737 18356 3321 1 4 . 1 1 86 86 ASP N N 86 126.700 126.700 120.587 6.113 18356 3322 1 4 . 1 1 86 86 ASP HA H 86 4.830 4.830 4.772 0.058 18356 3323 1 4 . 1 1 86 86 ASP C C 86 171.800 171.800 174.885 -3.085 18356 3324 1 4 . 1 1 86 86 ASP CA C 86 54.300 54.300 53.314 0.986 18356 3325 1 4 . 1 1 86 86 ASP CB C 86 40.300 40.300 42.890 -2.590 18356 3326 1 4 . 1 1 86 86 ASP H H 86 7.490 7.490 8.825 -1.335 18356 3327 1 4 . 1 1 87 87 PHE N N 87 135.000 135.000 126.906 8.094 18356 3328 1 4 . 1 1 87 87 PHE HA H 87 3.980 3.980 4.740 -0.760 18356 3329 1 4 . 1 1 87 87 PHE C C 87 173.600 173.600 174.120 -0.520 18356 3330 1 4 . 1 1 87 87 PHE CA C 87 59.700 59.700 56.288 3.412 18356 3331 1 4 . 1 1 87 87 PHE CB C 87 42.900 42.900 42.640 0.260 18356 3332 1 4 . 1 1 87 87 PHE H H 87 9.600 9.600 8.502 1.099 18356 3333 1 4 . 1 1 88 88 LYS N N 88 127.700 127.700 128.775 -1.075 18356 3334 1 4 . 1 1 88 88 LYS HA H 88 5.260 5.260 4.529 0.731 18356 3335 1 4 . 1 1 88 88 LYS C C 88 176.200 176.200 174.801 1.399 18356 3336 1 4 . 1 1 88 88 LYS CA C 88 55.500 55.500 56.012 -0.512 18356 3337 1 4 . 1 1 88 88 LYS CB C 88 33.100 33.100 31.853 1.247 18356 3338 1 4 . 1 1 88 88 LYS H H 88 7.550 7.550 8.104 -0.554 18356 3339 1 4 . 1 1 89 89 PHE N N 89 119.700 119.700 122.938 -3.238 18356 3340 1 4 . 1 1 89 89 PHE HA H 89 5.290 5.290 4.684 0.606 18356 3341 1 4 . 1 1 89 89 PHE C C 89 172.100 172.100 173.379 -1.279 18356 3342 1 4 . 1 1 89 89 PHE CA C 89 56.300 56.300 55.363 0.937 18356 3343 1 4 . 1 1 89 89 PHE CB C 89 40.200 40.200 40.782 -0.582 18356 3344 1 4 . 1 1 89 89 PHE H H 89 9.600 9.600 8.748 0.852 18356 3345 1 4 . 1 1 90 90 THR N N 90 111.800 111.800 109.716 2.084 18356 3346 1 4 . 1 1 90 90 THR HA H 90 5.170 5.170 5.221 -0.051 18356 3347 1 4 . 1 1 90 90 THR C C 90 174.100 174.100 174.203 -0.103 18356 3348 1 4 . 1 1 90 90 THR CA C 90 60.500 60.500 59.848 0.652 18356 3349 1 4 . 1 1 90 90 THR CB C 90 71.200 71.200 71.932 -0.732 18356 3350 1 4 . 1 1 90 90 THR H H 90 8.170 8.170 8.109 0.061 18356 3351 1 4 . 1 1 91 91 CYS N N 91 121.300 121.300 118.773 2.527 18356 3352 1 4 . 1 1 91 91 CYS HA H 91 4.880 4.880 4.783 0.097 18356 3353 1 4 . 1 1 91 91 CYS C C 91 173.600 173.600 174.699 -1.099 18356 3354 1 4 . 1 1 91 91 CYS CA C 91 57.200 57.200 57.722 -0.522 18356 3355 1 4 . 1 1 91 91 CYS CB C 91 30.300 30.300 30.608 -0.308 18356 3356 1 4 . 1 1 91 91 CYS H H 91 8.810 8.810 8.220 0.590 18356 3357 1 4 . 1 1 92 92 SER N N 92 120.800 120.800 115.967 4.833 18356 3358 1 4 . 1 1 92 92 SER HA H 92 4.180 4.180 4.472 -0.292 18356 3359 1 4 . 1 1 92 92 SER C C 92 173.600 173.600 174.447 -0.847 18356 3360 1 4 . 1 1 92 92 SER CA C 92 58.300 58.300 58.445 -0.145 18356 3361 1 4 . 1 1 92 92 SER CB C 92 64.000 64.000 63.367 0.633 18356 3362 1 4 . 1 1 92 92 SER H H 92 8.960 8.960 9.368 -0.408 18356 3363 1 4 . 1 1 93 93 ARG N N 93 123.600 123.600 130.154 -6.554 18356 3364 1 4 . 1 1 93 93 ARG HA H 93 4.710 4.710 4.557 0.153 18356 3365 1 4 . 1 1 93 93 ARG C C 93 176.300 176.300 174.970 1.330 18356 3366 1 4 . 1 1 93 93 ARG CA C 93 54.800 54.800 55.131 -0.331 18356 3367 1 4 . 1 1 93 93 ARG CB C 93 32.800 32.800 28.245 4.555 18356 3368 1 4 . 1 1 93 93 ARG H H 93 8.140 8.140 8.769 -0.629 18356 3369 1 4 . 1 1 94 94 VAL N N 94 124.700 124.700 124.534 0.166 18356 3370 1 4 . 1 1 94 94 VAL HA H 94 3.850 3.850 4.346 -0.496 18356 3371 1 4 . 1 1 94 94 VAL C C 94 177.400 177.400 176.144 1.256 18356 3372 1 4 . 1 1 94 94 VAL CA C 94 64.300 64.300 61.205 3.095 18356 3373 1 4 . 1 1 94 94 VAL CB C 94 31.900 31.900 32.662 -0.762 18356 3374 1 4 . 1 1 94 94 VAL H H 94 8.880 8.880 7.979 0.901 18356 3375 1 4 . 1 1 95 95 GLY N N 95 115.100 115.100 117.891 -2.791 18356 3376 1 4 . 1 1 95 95 GLY C C 95 174.100 174.100 173.840 0.260 18356 3377 1 4 . 1 1 95 95 GLY CA C 95 45.800 45.800 45.842 -0.042 18356 3378 1 4 . 1 1 95 95 GLY H H 95 8.900 8.900 9.004 -0.104 18356 3379 1 4 . 1 1 96 96 ALA N N 96 123.000 123.000 125.920 -2.920 18356 3380 1 4 . 1 1 96 96 ALA HA H 96 4.520 4.520 4.630 -0.110 18356 3381 1 4 . 1 1 96 96 ALA C C 96 177.500 177.500 176.695 0.805 18356 3382 1 4 . 1 1 96 96 ALA CA C 96 52.100 52.100 51.120 0.980 18356 3383 1 4 . 1 1 96 96 ALA CB C 96 20.300 20.300 20.565 -0.265 18356 3384 1 4 . 1 1 96 96 ALA H H 96 8.070 8.070 7.914 0.156 18356 3385 1 4 . 1 1 97 97 GLY N N 97 107.800 107.800 105.742 2.058 18356 3386 1 4 . 1 1 97 97 GLY C C 97 174.000 174.000 173.859 0.141 18356 3387 1 4 . 1 1 97 97 GLY CA C 97 45.300 45.300 44.358 0.942 18356 3388 1 4 . 1 1 97 97 GLY H H 97 8.270 8.270 8.432 -0.162 18356 3389 1 4 . 1 1 98 98 THR N N 98 115.600 115.600 119.879 -4.279 18356 3390 1 4 . 1 1 98 98 THR HA H 98 4.720 4.720 4.241 0.479 18356 3391 1 4 . 1 1 98 98 THR C C 98 174.300 174.300 174.037 0.263 18356 3392 1 4 . 1 1 98 98 THR CA C 98 61.900 61.900 62.566 -0.666 18356 3393 1 4 . 1 1 98 98 THR CB C 98 70.400 70.400 69.232 1.168 18356 3394 1 4 . 1 1 98 98 THR H H 98 8.330 8.330 8.426 -0.096 18356 3395 1 4 . 1 1 99 99 SER N N 99 119.900 119.900 121.186 -1.286 18356 3396 1 4 . 1 1 99 99 SER HA H 99 4.660 4.660 4.534 0.126 18356 3397 1 4 . 1 1 99 99 SER C C 99 173.000 173.000 172.888 0.112 18356 3398 1 4 . 1 1 99 99 SER CA C 99 57.700 57.700 58.529 -0.829 18356 3399 1 4 . 1 1 99 99 SER CB C 99 65.300 65.300 64.573 0.727 18356 3400 1 4 . 1 1 99 99 SER H H 99 8.760 8.760 8.540 0.220 18356 3401 1 4 . 1 1 100 100 LYS N N 100 123.800 123.800 121.150 2.650 18356 3402 1 4 . 1 1 100 100 LYS HA H 100 4.260 4.260 4.903 -0.643 18356 3403 1 4 . 1 1 100 100 LYS C C 100 175.600 175.600 174.786 0.814 18356 3404 1 4 . 1 1 100 100 LYS CA C 100 56.900 56.900 55.208 1.692 18356 3405 1 4 . 1 1 100 100 LYS CB C 100 33.000 33.000 33.107 -0.107 18356 3406 1 4 . 1 1 100 100 LYS H H 100 8.280 8.280 8.257 0.023 18356 3407 1 4 . 1 1 101 101 MET N N 101 123.200 123.200 122.417 0.783 18356 3408 1 4 . 1 1 101 101 MET HA H 101 4.510 4.510 4.736 -0.226 18356 3409 1 4 . 1 1 101 101 MET C C 101 172.700 172.700 173.741 -1.041 18356 3410 1 4 . 1 1 101 101 MET CA C 101 54.600 54.600 54.345 0.255 18356 3411 1 4 . 1 1 101 101 MET CB C 101 35.900 35.900 37.968 -2.068 18356 3412 1 4 . 1 1 101 101 MET H H 101 8.910 8.910 8.074 0.836 18356 3413 1 4 . 1 1 102 102 ASP N N 102 119.000 119.000 118.635 0.365 18356 3414 1 4 . 1 1 102 102 ASP HA H 102 5.690 5.690 4.885 0.805 18356 3415 1 4 . 1 1 102 102 ASP C C 102 175.600 175.600 175.078 0.522 18356 3416 1 4 . 1 1 102 102 ASP CA C 102 52.500 52.500 53.273 -0.773 18356 3417 1 4 . 1 1 102 102 ASP CB C 102 42.700 42.700 41.395 1.305 18356 3418 1 4 . 1 1 102 102 ASP H H 102 8.030 8.030 8.370 -0.340 18356 3419 1 4 . 1 1 103 103 LYS N N 103 122.100 122.100 123.871 -1.771 18356 3420 1 4 . 1 1 103 103 LYS HA H 103 4.810 4.810 4.717 0.093 18356 3421 1 4 . 1 1 103 103 LYS C C 103 174.400 174.400 175.549 -1.149 18356 3422 1 4 . 1 1 103 103 LYS CA C 103 53.400 53.400 54.069 -0.669 18356 3423 1 4 . 1 1 103 103 LYS CB C 103 36.500 36.500 34.968 1.532 18356 3424 1 4 . 1 1 103 103 LYS H H 103 9.340 9.340 8.655 0.685 18356 3425 1 4 . 1 1 104 104 ILE N N 104 123.500 123.500 128.345 -4.845 18356 3426 1 4 . 1 1 104 104 ILE HA H 104 3.780 3.780 4.349 -0.569 18356 3427 1 4 . 1 1 104 104 ILE C C 104 175.900 175.900 174.725 1.175 18356 3428 1 4 . 1 1 104 104 ILE CA C 104 61.700 61.700 61.686 0.014 18356 3429 1 4 . 1 1 104 104 ILE CB C 104 37.700 37.700 38.868 -1.169 18356 3430 1 4 . 1 1 104 104 ILE H H 104 8.810 8.810 8.894 -0.084 18356 3431 1 4 . 1 1 105 105 ILE N N 105 119.200 119.200 124.254 -5.054 18356 3432 1 4 . 1 1 105 105 ILE HA H 105 5.310 5.310 4.668 0.642 18356 3433 1 4 . 1 1 105 105 ILE C C 105 174.200 174.200 173.516 0.684 18356 3434 1 4 . 1 1 105 105 ILE CA C 105 59.700 59.700 58.625 1.075 18356 3435 1 4 . 1 1 105 105 ILE CB C 105 39.800 39.800 40.734 -0.934 18356 3436 1 4 . 1 1 105 105 ILE H H 105 8.130 8.130 8.570 -0.440 18356 3437 1 4 . 1 1 106 106 PHE N N 106 125.800 125.800 122.833 2.967 18356 3438 1 4 . 1 1 106 106 PHE HA H 106 5.680 5.680 5.548 0.132 18356 3439 1 4 . 1 1 106 106 PHE C C 106 173.500 173.500 173.261 0.239 18356 3440 1 4 . 1 1 106 106 PHE CA C 106 56.000 56.000 55.773 0.227 18356 3441 1 4 . 1 1 106 106 PHE CB C 106 43.000 43.000 42.636 0.364 18356 3442 1 4 . 1 1 106 106 PHE H H 106 9.570 9.570 8.929 0.641 18356 3443 1 4 . 1 1 107 107 LEU N N 107 125.900 125.900 124.259 1.641 18356 3444 1 4 . 1 1 107 107 LEU HA H 107 5.300 5.300 5.172 0.128 18356 3445 1 4 . 1 1 107 107 LEU C C 107 174.600 174.600 175.016 -0.416 18356 3446 1 4 . 1 1 107 107 LEU CA C 107 53.300 53.300 52.645 0.655 18356 3447 1 4 . 1 1 107 107 LEU CB C 107 44.400 44.400 44.975 -0.575 18356 3448 1 4 . 1 1 107 107 LEU H H 107 9.320 9.320 8.539 0.781 18356 3449 1 4 . 1 1 108 108 GLN N N 108 124.800 124.800 121.807 2.993 18356 3450 1 4 . 1 1 108 108 GLN HA H 108 4.670 4.670 4.384 0.286 18356 3451 1 4 . 1 1 108 108 GLN C C 108 173.900 173.900 174.877 -0.977 18356 3452 1 4 . 1 1 108 108 GLN CA C 108 55.500 55.500 54.656 0.844 18356 3453 1 4 . 1 1 108 108 GLN CB C 108 30.200 30.200 29.520 0.680 18356 3454 1 4 . 1 1 108 108 GLN H H 108 8.620 8.620 8.784 -0.164 18356 3455 1 4 . 1 1 109 109 ILE N N 109 128.400 128.400 126.309 2.091 18356 3456 1 4 . 1 1 109 109 ILE HA H 109 4.340 4.340 4.357 -0.017 18356 3457 1 4 . 1 1 109 109 ILE C C 109 173.800 173.800 174.608 -0.808 18356 3458 1 4 . 1 1 109 109 ILE CA C 109 61.500 61.500 59.397 2.103 18356 3459 1 4 . 1 1 109 109 ILE CB C 109 37.600 37.600 36.185 1.415 18356 3460 1 4 . 1 1 109 109 ILE H H 109 8.550 8.550 8.278 0.272 18356 3461 1 4 . 1 1 110 110 CYS N N 110 125.800 125.800 126.290 -0.490 18356 3462 1 4 . 1 1 110 110 CYS HA H 110 5.340 5.340 4.700 0.640 18356 3463 1 4 . 1 1 110 110 CYS C C 110 171.200 171.200 172.647 -1.447 18356 3464 1 4 . 1 1 110 110 CYS CA C 110 54.400 54.400 55.755 -1.355 18356 3465 1 4 . 1 1 110 110 CYS CB C 110 29.400 29.400 30.116 -0.716 18356 3466 1 4 . 1 1 110 110 CYS H H 110 8.330 8.330 8.546 -0.216 18356 3467 1 4 . 1 1 111 111 PRO HA H 111 4.470 4.470 4.602 -0.132 18356 3468 1 4 . 1 1 111 111 PRO CA C 111 59.500 59.500 62.895 -3.394 18356 3469 1 4 . 1 1 112 112 ASP N N 112 120.600 120.600 125.536 -4.936 18356 3470 1 4 . 1 1 112 112 ASP HA H 112 4.260 4.260 4.450 -0.190 18356 3471 1 4 . 1 1 112 112 ASP C C 112 177.400 177.400 177.747 -0.347 18356 3472 1 4 . 1 1 112 112 ASP CA C 112 57.700 57.700 56.421 1.279 18356 3473 1 4 . 1 1 112 112 ASP CB C 112 41.300 41.300 41.025 0.275 18356 3474 1 4 . 1 1 112 112 ASP H H 112 8.390 8.390 8.812 -0.422 18356 3475 1 4 . 1 1 113 113 GLY N N 113 103.400 103.400 106.706 -3.306 18356 3476 1 4 . 1 1 113 113 GLY C C 113 174.500 174.500 173.896 0.604 18356 3477 1 4 . 1 1 113 113 GLY CA C 113 45.500 45.500 44.518 0.982 18356 3478 1 4 . 1 1 113 113 GLY H H 113 8.520 8.520 8.550 -0.030 18356 3479 1 4 . 1 1 114 114 ALA N N 114 122.000 122.000 123.839 -1.839 18356 3480 1 4 . 1 1 114 114 ALA HA H 114 4.360 4.360 4.439 -0.079 18356 3481 1 4 . 1 1 114 114 ALA C C 114 176.200 176.200 176.638 -0.438 18356 3482 1 4 . 1 1 114 114 ALA CA C 114 51.000 51.000 50.901 0.099 18356 3483 1 4 . 1 1 114 114 ALA CB C 114 20.500 20.500 20.869 -0.369 18356 3484 1 4 . 1 1 114 114 ALA H H 114 7.560 7.560 7.134 0.426 18356 3485 1 4 . 1 1 115 115 SER N N 115 115.900 115.900 115.408 0.492 18356 3486 1 4 . 1 1 115 115 SER HA H 115 4.400 4.400 4.257 0.143 18356 3487 1 4 . 1 1 115 115 SER C C 115 175.600 175.600 175.778 -0.178 18356 3488 1 4 . 1 1 115 115 SER CA C 115 57.700 57.700 59.402 -1.702 18356 3489 1 4 . 1 1 115 115 SER CB C 115 64.400 64.400 63.400 1.000 18356 3490 1 4 . 1 1 115 115 SER H H 115 8.620 8.620 8.622 -0.002 18356 3491 1 4 . 1 1 116 116 ILE N N 116 123.700 123.700 127.290 -3.590 18356 3492 1 4 . 1 1 116 116 ILE HA H 116 4.740 4.740 3.791 0.949 18356 3493 1 4 . 1 1 116 116 ILE C C 116 177.600 177.600 177.223 0.377 18356 3494 1 4 . 1 1 116 116 ILE CA C 116 61.900 61.900 64.087 -2.187 18356 3495 1 4 . 1 1 116 116 ILE CB C 116 37.800 37.800 38.336 -0.536 18356 3496 1 4 . 1 1 116 116 ILE H H 116 8.810 8.810 8.548 0.262 18356 3497 1 4 . 1 1 117 117 LYS N N 117 119.200 119.200 117.817 1.383 18356 3498 1 4 . 1 1 117 117 LYS HA H 117 4.080 4.080 4.094 -0.014 18356 3499 1 4 . 1 1 117 117 LYS C C 117 179.400 179.400 178.717 0.683 18356 3500 1 4 . 1 1 117 117 LYS CA C 117 59.600 59.600 59.099 0.501 18356 3501 1 4 . 1 1 117 117 LYS CB C 117 32.700 32.700 31.258 1.442 18356 3502 1 4 . 1 1 117 117 LYS H H 117 8.140 8.140 8.278 -0.138 18356 3503 1 4 . 1 1 118 118 LYS N N 118 118.700 118.700 119.708 -1.008 18356 3504 1 4 . 1 1 118 118 LYS HA H 118 4.290 4.290 4.205 0.085 18356 3505 1 4 . 1 1 118 118 LYS C C 118 178.700 178.700 179.157 -0.457 18356 3506 1 4 . 1 1 118 118 LYS CA C 118 58.500 58.500 58.674 -0.174 18356 3507 1 4 . 1 1 118 118 LYS CB C 118 32.500 32.500 31.846 0.654 18356 3508 1 4 . 1 1 118 118 LYS H H 118 7.570 7.570 7.892 -0.322 18356 3509 1 4 . 1 1 119 119 LYS N N 119 118.900 118.900 118.088 0.812 18356 3510 1 4 . 1 1 119 119 LYS HA H 119 4.340 4.340 4.570 -0.230 18356 3511 1 4 . 1 1 119 119 LYS C C 119 179.600 179.600 178.594 1.006 18356 3512 1 4 . 1 1 119 119 LYS CA C 119 61.300 61.300 59.109 2.191 18356 3513 1 4 . 1 1 119 119 LYS CB C 119 32.300 32.300 32.310 -0.010 18356 3514 1 4 . 1 1 119 119 LYS H H 119 8.450 8.450 7.548 0.902 18356 3515 1 4 . 1 1 120 120 MET N N 120 117.400 117.400 118.264 -0.864 18356 3516 1 4 . 1 1 120 120 MET HA H 120 4.290 4.290 4.291 -0.001 18356 3517 1 4 . 1 1 120 120 MET C C 120 179.500 179.500 177.917 1.583 18356 3518 1 4 . 1 1 120 120 MET CA C 120 59.100 59.100 58.690 0.410 18356 3519 1 4 . 1 1 120 120 MET CB C 120 32.400 32.400 33.640 -1.240 18356 3520 1 4 . 1 1 120 120 MET H H 120 8.420 8.420 7.618 0.802 18356 3521 1 4 . 1 1 121 121 VAL N N 121 121.800 121.800 119.889 1.911 18356 3522 1 4 . 1 1 121 121 VAL HA H 121 3.980 3.980 3.585 0.395 18356 3523 1 4 . 1 1 121 121 VAL C C 121 179.200 179.200 178.088 1.112 18356 3524 1 4 . 1 1 121 121 VAL CA C 121 66.200 66.200 67.021 -0.821 18356 3525 1 4 . 1 1 121 121 VAL CB C 121 32.300 32.300 31.722 0.578 18356 3526 1 4 . 1 1 121 121 VAL H H 121 8.000 8.000 8.690 -0.690 18356 3527 1 4 . 1 1 122 122 TYR N N 122 121.300 121.300 119.488 1.812 18356 3528 1 4 . 1 1 122 122 TYR HA H 122 4.230 4.230 4.418 -0.188 18356 3529 1 4 . 1 1 122 122 TYR C C 122 180.700 180.700 176.738 3.962 18356 3530 1 4 . 1 1 122 122 TYR CA C 122 61.400 61.400 60.702 0.698 18356 3531 1 4 . 1 1 122 122 TYR CB C 122 38.300 38.300 37.613 0.687 18356 3532 1 4 . 1 1 122 122 TYR H H 122 8.610 8.610 8.600 0.010 18356 3533 1 4 . 1 1 123 123 ALA N N 123 124.000 124.000 121.617 2.383 18356 3534 1 4 . 1 1 123 123 ALA HA H 123 4.360 4.360 3.341 1.019 18356 3535 1 4 . 1 1 123 123 ALA C C 123 180.800 180.800 179.553 1.247 18356 3536 1 4 . 1 1 123 123 ALA CA C 123 55.800 55.800 54.458 1.342 18356 3537 1 4 . 1 1 123 123 ALA CB C 123 18.200 18.200 17.171 1.030 18356 3538 1 4 . 1 1 123 123 ALA H H 123 8.760 8.760 7.584 1.176 18356 3539 1 4 . 1 1 124 124 SER N N 124 113.200 113.200 111.104 2.096 18356 3540 1 4 . 1 1 124 124 SER HA H 124 4.340 4.340 4.254 0.086 18356 3541 1 4 . 1 1 124 124 SER C C 124 176.400 176.400 175.854 0.546 18356 3542 1 4 . 1 1 124 124 SER CA C 124 61.500 61.500 59.956 1.544 18356 3543 1 4 . 1 1 124 124 SER CB C 124 63.300 63.300 63.074 0.226 18356 3544 1 4 . 1 1 124 124 SER H H 124 8.500 8.500 7.774 0.726 18356 3545 1 4 . 1 1 125 125 SER N N 125 115.200 115.200 118.683 -3.483 18356 3546 1 4 . 1 1 125 125 SER HA H 125 4.460 4.460 4.418 0.042 18356 3547 1 4 . 1 1 125 125 SER C C 125 173.100 173.100 175.640 -2.540 18356 3548 1 4 . 1 1 125 125 SER CA C 125 59.400 59.400 61.119 -1.719 18356 3549 1 4 . 1 1 125 125 SER CB C 125 63.400 63.400 63.712 -0.312 18356 3550 1 4 . 1 1 125 125 SER H H 125 7.480 7.480 7.608 -0.128 18356 3551 1 4 . 1 1 126 126 ALA N N 126 122.600 122.600 124.230 -1.630 18356 3552 1 4 . 1 1 126 126 ALA HA H 126 3.780 3.780 4.028 -0.248 18356 3553 1 4 . 1 1 126 126 ALA C C 126 178.600 178.600 178.905 -0.305 18356 3554 1 4 . 1 1 126 126 ALA CA C 126 54.900 54.900 55.261 -0.361 18356 3555 1 4 . 1 1 126 126 ALA CB C 126 18.700 18.700 18.299 0.401 18356 3556 1 4 . 1 1 126 126 ALA H H 126 7.100 7.100 8.699 -1.599 18356 3557 1 4 . 1 1 127 127 ALA N N 127 118.800 118.800 120.549 -1.749 18356 3558 1 4 . 1 1 127 127 ALA HA H 127 3.860 3.860 3.843 0.017 18356 3559 1 4 . 1 1 127 127 ALA C C 127 179.700 179.700 178.545 1.155 18356 3560 1 4 . 1 1 127 127 ALA CA C 127 55.200 55.200 55.191 0.009 18356 3561 1 4 . 1 1 127 127 ALA CB C 127 17.700 17.700 18.248 -0.548 18356 3562 1 4 . 1 1 127 127 ALA H H 127 8.480 8.480 7.787 0.693 18356 3563 1 4 . 1 1 128 128 ALA N N 128 120.700 120.700 120.983 -0.283 18356 3564 1 4 . 1 1 128 128 ALA HA H 128 3.990 3.990 3.992 -0.002 18356 3565 1 4 . 1 1 128 128 ALA C C 128 180.600 180.600 179.151 1.449 18356 3566 1 4 . 1 1 128 128 ALA CA C 128 55.100 55.100 54.700 0.400 18356 3567 1 4 . 1 1 128 128 ALA CB C 128 17.900 17.900 18.446 -0.546 18356 3568 1 4 . 1 1 128 128 ALA H H 128 7.800 7.800 7.656 0.144 18356 3569 1 4 . 1 1 129 129 ILE N N 129 114.900 114.900 119.026 -4.126 18356 3570 1 4 . 1 1 129 129 ILE HA H 129 3.780 3.780 3.777 0.003 18356 3571 1 4 . 1 1 129 129 ILE C C 129 176.100 176.100 177.858 -1.758 18356 3572 1 4 . 1 1 129 129 ILE CA C 129 63.300 63.300 63.022 0.278 18356 3573 1 4 . 1 1 129 129 ILE CB C 129 37.200 37.200 37.293 -0.093 18356 3574 1 4 . 1 1 129 129 ILE H H 129 7.180 7.180 8.060 -0.880 18356 3575 1 4 . 1 1 130 130 LYS N N 130 122.400 122.400 120.799 1.601 18356 3576 1 4 . 1 1 130 130 LYS HA H 130 3.870 3.870 3.545 0.325 18356 3577 1 4 . 1 1 130 130 LYS C C 130 178.400 178.400 178.058 0.342 18356 3578 1 4 . 1 1 130 130 LYS CA C 130 61.100 61.100 59.532 1.568 18356 3579 1 4 . 1 1 130 130 LYS CB C 130 31.500 31.500 32.015 -0.515 18356 3580 1 4 . 1 1 130 130 LYS H H 130 7.870 7.870 8.330 -0.460 18356 3581 1 4 . 1 1 131 131 THR N N 131 113.000 113.000 115.793 -2.793 18356 3582 1 4 . 1 1 131 131 THR HA H 131 3.870 3.870 4.062 -0.192 18356 3583 1 4 . 1 1 131 131 THR C C 131 176.300 176.300 176.625 -0.325 18356 3584 1 4 . 1 1 131 131 THR CA C 131 65.900 65.900 65.578 0.322 18356 3585 1 4 . 1 1 131 131 THR CB C 131 68.700 68.700 68.355 0.345 18356 3586 1 4 . 1 1 131 131 THR H H 131 8.000 8.000 7.622 0.379 18356 3587 1 4 . 1 1 132 132 SER N N 132 117.300 117.300 115.800 1.500 18356 3588 1 4 . 1 1 132 132 SER HA H 132 4.100 4.100 4.281 -0.181 18356 3589 1 4 . 1 1 132 132 SER C C 132 174.900 174.900 174.964 -0.064 18356 3590 1 4 . 1 1 132 132 SER CA C 132 61.900 61.900 60.286 1.614 18356 3591 1 4 . 1 1 132 132 SER CB C 132 63.300 63.300 63.493 -0.193 18356 3592 1 4 . 1 1 132 132 SER H H 132 7.290 7.290 7.658 -0.368 18356 3593 1 4 . 1 1 133 133 LEU N N 133 118.100 118.100 113.466 4.634 18356 3594 1 4 . 1 1 133 133 LEU HA H 133 3.700 3.700 4.573 -0.873 18356 3595 1 4 . 1 1 133 133 LEU C C 133 176.600 176.600 176.737 -0.137 18356 3596 1 4 . 1 1 133 133 LEU CA C 133 56.300 56.300 55.288 1.012 18356 3597 1 4 . 1 1 133 133 LEU CB C 133 40.400 40.400 42.245 -1.845 18356 3598 1 4 . 1 1 133 133 LEU H H 133 7.330 7.330 7.171 0.159 18356 3599 1 4 . 1 1 134 134 GLY N N 134 105.600 105.600 104.455 1.145 18356 3600 1 4 . 1 1 134 134 GLY C C 134 174.800 174.800 175.097 -0.297 18356 3601 1 4 . 1 1 134 134 GLY CA C 134 45.300 45.300 45.750 -0.450 18356 3602 1 4 . 1 1 134 134 GLY H H 134 7.420 7.420 8.271 -0.851 18356 3603 1 4 . 1 1 135 135 THR N N 135 116.600 116.600 114.307 2.293 18356 3604 1 4 . 1 1 135 135 THR HA H 135 3.870 3.870 3.821 0.049 18356 3605 1 4 . 1 1 135 135 THR C C 135 176.000 176.000 174.155 1.845 18356 3606 1 4 . 1 1 135 135 THR CA C 135 63.900 63.900 65.527 -1.627 18356 3607 1 4 . 1 1 135 135 THR CB C 135 68.600 68.600 67.676 0.924 18356 3608 1 4 . 1 1 135 135 THR H H 135 8.450 8.450 8.122 0.328 18356 3609 1 4 . 1 1 136 136 GLY N N 136 109.300 109.300 108.626 0.674 18356 3610 1 4 . 1 1 136 136 GLY C C 136 175.000 175.000 173.860 1.140 18356 3611 1 4 . 1 1 136 136 GLY CA C 136 45.700 45.700 45.284 0.416 18356 3612 1 4 . 1 1 136 136 GLY H H 136 8.720 8.720 8.152 0.568 18356 3613 1 4 . 1 1 137 137 LYS N N 137 118.500 118.500 119.353 -0.853 18356 3614 1 4 . 1 1 137 137 LYS HA H 137 4.500 4.500 4.562 -0.062 18356 3615 1 4 . 1 1 137 137 LYS C C 137 176.200 176.200 175.418 0.782 18356 3616 1 4 . 1 1 137 137 LYS CA C 137 56.300 56.300 56.039 0.261 18356 3617 1 4 . 1 1 137 137 LYS CB C 137 34.100 34.100 33.170 0.929 18356 3618 1 4 . 1 1 137 137 LYS H H 137 8.110 8.110 8.237 -0.127 18356 3619 1 4 . 1 1 138 138 ILE N N 138 111.400 111.400 113.594 -2.194 18356 3620 1 4 . 1 1 138 138 ILE HA H 138 5.050 5.050 4.474 0.576 18356 3621 1 4 . 1 1 138 138 ILE C C 138 174.700 174.700 174.475 0.225 18356 3622 1 4 . 1 1 138 138 ILE CA C 138 59.500 59.500 58.952 0.548 18356 3623 1 4 . 1 1 138 138 ILE CB C 138 41.600 41.600 40.844 0.756 18356 3624 1 4 . 1 1 138 138 ILE H H 138 7.270 7.270 7.219 0.051 18356 3625 1 4 . 1 1 139 139 LEU N N 139 124.600 124.600 123.500 1.100 18356 3626 1 4 . 1 1 139 139 LEU HA H 139 4.690 4.690 4.693 -0.003 18356 3627 1 4 . 1 1 139 139 LEU C C 139 175.600 175.600 175.618 -0.018 18356 3628 1 4 . 1 1 139 139 LEU CA C 139 54.200 54.200 53.992 0.208 18356 3629 1 4 . 1 1 139 139 LEU CB C 139 43.800 43.800 42.144 1.656 18356 3630 1 4 . 1 1 139 139 LEU H H 139 8.450 8.450 8.415 0.035 18356 3631 1 4 . 1 1 140 140 GLN N N 140 123.500 123.500 120.289 3.211 18356 3632 1 4 . 1 1 140 140 GLN HA H 140 5.350 5.350 5.922 -0.572 18356 3633 1 4 . 1 1 140 140 GLN C C 140 174.900 174.900 174.899 0.001 18356 3634 1 4 . 1 1 140 140 GLN CA C 140 55.800 55.800 54.077 1.723 18356 3635 1 4 . 1 1 140 140 GLN CB C 140 30.900 30.900 32.894 -1.994 18356 3636 1 4 . 1 1 140 140 GLN H H 140 8.590 8.590 8.396 0.194 18356 3637 1 4 . 1 1 141 141 PHE N N 141 120.500 120.500 120.859 -0.359 18356 3638 1 4 . 1 1 141 141 PHE HA H 141 4.870 4.870 4.732 0.138 18356 3639 1 4 . 1 1 141 141 PHE C C 141 174.700 174.700 172.992 1.708 18356 3640 1 4 . 1 1 141 141 PHE CA C 141 57.300 57.300 57.643 -0.343 18356 3641 1 4 . 1 1 141 141 PHE CB C 141 42.800 42.800 43.453 -0.653 18356 3642 1 4 . 1 1 141 141 PHE H H 141 9.280 9.280 8.294 0.986 18356 3643 1 4 . 1 1 142 142 GLN N N 142 123.700 123.700 124.819 -1.119 18356 3644 1 4 . 1 1 142 142 GLN HA H 142 4.880 4.880 4.503 0.377 18356 3645 1 4 . 1 1 142 142 GLN C C 142 174.900 174.900 174.338 0.562 18356 3646 1 4 . 1 1 142 142 GLN CA C 142 55.500 55.500 54.635 0.865 18356 3647 1 4 . 1 1 142 142 GLN CB C 142 30.200 30.200 30.185 0.015 18356 3648 1 4 . 1 1 142 142 GLN H H 142 9.080 9.080 7.870 1.210 18356 3649 1 4 . 1 1 143 143 VAL N N 143 120.900 120.900 120.522 0.378 18356 3650 1 4 . 1 1 143 143 VAL HA H 143 4.600 4.600 4.500 0.100 18356 3651 1 4 . 1 1 143 143 VAL C C 143 174.800 174.800 174.973 -0.173 18356 3652 1 4 . 1 1 143 143 VAL CA C 143 60.900 60.900 60.268 0.632 18356 3653 1 4 . 1 1 143 143 VAL CB C 143 35.700 35.700 34.281 1.419 18356 3654 1 4 . 1 1 143 143 VAL H H 143 8.560 8.560 8.847 -0.287 18356 3655 1 4 . 1 1 144 144 SER N N 144 120.500 120.500 118.287 2.213 18356 3656 1 4 . 1 1 144 144 SER HA H 144 4.740 4.740 4.503 0.237 18356 3657 1 4 . 1 1 144 144 SER C C 144 173.200 173.200 174.156 -0.956 18356 3658 1 4 . 1 1 144 144 SER CA C 144 58.200 58.200 58.747 -0.547 18356 3659 1 4 . 1 1 144 144 SER CB C 144 65.600 65.600 64.590 1.010 18356 3660 1 4 . 1 1 144 144 SER H H 144 9.640 9.640 8.789 0.851 18356 3661 1 4 . 1 1 145 145 ASP N N 145 118.600 118.600 121.313 -2.713 18356 3662 1 4 . 1 1 145 145 ASP HA H 145 4.700 4.700 4.753 -0.053 18356 3663 1 4 . 1 1 145 145 ASP C C 145 175.500 175.500 176.747 -1.247 18356 3664 1 4 . 1 1 145 145 ASP CA C 145 53.300 53.300 52.285 1.015 18356 3665 1 4 . 1 1 145 145 ASP CB C 145 44.100 44.100 43.490 0.610 18356 3666 1 4 . 1 1 145 145 ASP H H 145 7.760 7.760 7.593 0.167 18356 3667 1 4 . 1 1 146 146 GLU N N 146 119.900 119.900 123.909 -4.009 18356 3668 1 4 . 1 1 146 146 GLU HA H 146 3.780 3.780 4.055 -0.275 18356 3669 1 4 . 1 1 146 146 GLU C C 146 177.800 177.800 176.987 0.813 18356 3670 1 4 . 1 1 146 146 GLU CA C 146 59.700 59.700 59.128 0.572 18356 3671 1 4 . 1 1 146 146 GLU CB C 146 29.800 29.800 29.718 0.082 18356 3672 1 4 . 1 1 146 146 GLU H H 146 8.950 8.950 8.845 0.105 18356 3673 1 4 . 1 1 147 147 SER N N 147 116.700 116.700 112.803 3.897 18356 3674 1 4 . 1 1 147 147 SER HA H 147 4.190 4.190 4.288 -0.098 18356 3675 1 4 . 1 1 147 147 SER C C 147 176.600 176.600 175.863 0.737 18356 3676 1 4 . 1 1 147 147 SER CA C 147 61.500 61.500 60.899 0.601 18356 3677 1 4 . 1 1 147 147 SER CB C 147 60.100 60.100 63.188 -3.087 18356 3678 1 4 . 1 1 147 147 SER H H 147 8.660 8.660 8.526 0.134 18356 3679 1 4 . 1 1 148 148 GLU N N 148 120.300 120.300 120.639 -0.339 18356 3680 1 4 . 1 1 148 148 GLU HA H 148 4.160 4.160 4.232 -0.072 18356 3681 1 4 . 1 1 148 148 GLU C C 148 176.200 176.200 177.019 -0.819 18356 3682 1 4 . 1 1 148 148 GLU CA C 148 57.600 57.600 58.294 -0.694 18356 3683 1 4 . 1 1 148 148 GLU CB C 148 30.900 30.900 29.886 1.014 18356 3684 1 4 . 1 1 148 148 GLU H H 148 7.940 7.940 7.686 0.254 18356 3685 1 4 . 1 1 149 149 MET N N 149 116.000 116.000 119.041 -3.041 18356 3686 1 4 . 1 1 149 149 MET HA H 149 4.530 4.530 4.734 -0.204 18356 3687 1 4 . 1 1 149 149 MET C C 149 173.000 173.000 175.409 -2.409 18356 3688 1 4 . 1 1 149 149 MET CA C 149 53.400 53.400 54.480 -1.080 18356 3689 1 4 . 1 1 149 149 MET CB C 149 32.900 32.900 30.428 2.472 18356 3690 1 4 . 1 1 149 149 MET H H 149 7.500 7.500 7.712 -0.212 18356 3691 1 4 . 1 1 150 150 SER N N 150 112.400 112.400 117.128 -4.728 18356 3692 1 4 . 1 1 150 150 SER HA H 150 4.710 4.710 4.906 -0.196 18356 3693 1 4 . 1 1 150 150 SER C C 150 174.100 174.100 174.688 -0.588 18356 3694 1 4 . 1 1 150 150 SER CA C 150 56.900 56.900 56.660 0.240 18356 3695 1 4 . 1 1 150 150 SER CB C 150 65.300 65.300 66.453 -1.153 18356 3696 1 4 . 1 1 150 150 SER H H 150 7.100 7.100 7.962 -0.862 18356 3697 1 4 . 1 1 151 151 HIS N N 151 125.700 125.700 121.124 4.576 18356 3698 1 4 . 1 1 151 151 HIS HA H 151 4.670 4.670 4.388 0.282 18356 3699 1 4 . 1 1 151 151 HIS C C 151 175.900 175.900 176.379 -0.479 18356 3700 1 4 . 1 1 151 151 HIS CA C 151 62.300 62.300 59.488 2.812 18356 3701 1 4 . 1 1 151 151 HIS CB C 151 31.900 31.900 29.552 2.348 18356 3702 1 4 . 1 1 151 151 HIS H H 151 9.510 9.510 8.768 0.742 18356 3703 1 4 . 1 1 152 152 LYS N N 152 115.700 115.700 119.415 -3.715 18356 3704 1 4 . 1 1 152 152 LYS HA H 152 3.690 3.690 4.061 -0.371 18356 3705 1 4 . 1 1 152 152 LYS C C 152 178.700 178.700 178.027 0.673 18356 3706 1 4 . 1 1 152 152 LYS CA C 152 59.200 59.200 58.532 0.668 18356 3707 1 4 . 1 1 152 152 LYS CB C 152 32.700 32.700 31.413 1.288 18356 3708 1 4 . 1 1 152 152 LYS H H 152 8.380 8.380 8.092 0.288 18356 3709 1 4 . 1 1 153 153 GLU N N 153 117.400 117.400 119.052 -1.652 18356 3710 1 4 . 1 1 153 153 GLU HA H 153 4.070 4.070 4.235 -0.165 18356 3711 1 4 . 1 1 153 153 GLU C C 153 179.100 179.100 178.281 0.819 18356 3712 1 4 . 1 1 153 153 GLU CA C 153 58.500 58.500 57.633 0.867 18356 3713 1 4 . 1 1 153 153 GLU CB C 153 29.300 29.300 30.621 -1.321 18356 3714 1 4 . 1 1 153 153 GLU H H 153 7.360 7.360 7.501 -0.141 18356 3715 1 4 . 1 1 154 154 LEU N N 154 121.200 121.200 121.320 -0.120 18356 3716 1 4 . 1 1 154 154 LEU HA H 154 3.530 3.530 3.962 -0.432 18356 3717 1 4 . 1 1 154 154 LEU C C 154 178.300 178.300 178.832 -0.532 18356 3718 1 4 . 1 1 154 154 LEU CA C 154 57.300 57.300 58.288 -0.987 18356 3719 1 4 . 1 1 154 154 LEU CB C 154 40.500 40.500 42.101 -1.601 18356 3720 1 4 . 1 1 154 154 LEU H H 154 7.730 7.730 8.004 -0.274 18356 3721 1 4 . 1 1 155 155 LEU N N 155 118.500 118.500 113.455 5.045 18356 3722 1 4 . 1 1 155 155 LEU HA H 155 3.410 3.410 4.259 -0.849 18356 3723 1 4 . 1 1 155 155 LEU C C 155 179.900 179.900 178.554 1.346 18356 3724 1 4 . 1 1 155 155 LEU CA C 155 57.600 57.600 56.897 0.703 18356 3725 1 4 . 1 1 155 155 LEU CB C 155 41.200 41.200 40.823 0.377 18356 3726 1 4 . 1 1 155 155 LEU H H 155 8.350 8.350 7.568 0.782 18356 3727 1 4 . 1 1 156 156 ASN N N 156 117.900 117.900 119.491 -1.591 18356 3728 1 4 . 1 1 156 156 ASN HA H 156 4.360 4.360 4.460 -0.100 18356 3729 1 4 . 1 1 156 156 ASN C C 156 178.000 178.000 177.227 0.773 18356 3730 1 4 . 1 1 156 156 ASN CA C 156 56.300 56.300 56.389 -0.089 18356 3731 1 4 . 1 1 156 156 ASN CB C 156 38.400 38.400 38.430 -0.030 18356 3732 1 4 . 1 1 156 156 ASN H H 156 7.750 7.750 7.947 -0.197 18356 3733 1 4 . 1 1 157 157 LYS N N 157 119.800 119.800 119.886 -0.086 18356 3734 1 4 . 1 1 157 157 LYS HA H 157 4.080 4.080 4.105 -0.025 18356 3735 1 4 . 1 1 157 157 LYS C C 157 179.800 179.800 178.591 1.209 18356 3736 1 4 . 1 1 157 157 LYS CA C 157 59.100 59.100 58.476 0.624 18356 3737 1 4 . 1 1 157 157 LYS CB C 157 32.500 32.500 31.482 1.018 18356 3738 1 4 . 1 1 157 157 LYS H H 157 7.770 7.770 7.649 0.121 18356 3739 1 4 . 1 1 158 158 LEU N N 158 120.900 120.900 121.959 -1.059 18356 3740 1 4 . 1 1 158 158 LEU HA H 158 3.950 3.950 3.938 0.012 18356 3741 1 4 . 1 1 158 158 LEU C C 158 179.000 179.000 178.639 0.361 18356 3742 1 4 . 1 1 158 158 LEU CA C 158 57.800 57.800 57.658 0.141 18356 3743 1 4 . 1 1 158 158 LEU CB C 158 41.200 41.200 41.262 -0.062 18356 3744 1 4 . 1 1 158 158 LEU H H 158 8.200 8.200 7.457 0.743 18356 3745 1 4 . 1 1 159 159 GLY N N 159 106.500 106.500 105.342 1.158 18356 3746 1 4 . 1 1 159 159 GLY C C 159 176.300 176.300 175.548 0.752 18356 3747 1 4 . 1 1 159 159 GLY CA C 159 46.900 46.900 46.640 0.260 18356 3748 1 4 . 1 1 159 159 GLY H H 159 8.290 8.290 7.946 0.344 18356 3749 1 4 . 1 1 160 160 GLU N N 160 120.700 120.700 121.705 -1.005 18356 3750 1 4 . 1 1 160 160 GLU HA H 160 4.070 4.070 4.000 0.070 18356 3751 1 4 . 1 1 160 160 GLU C C 160 177.800 177.800 178.736 -0.936 18356 3752 1 4 . 1 1 160 160 GLU CA C 160 58.300 58.300 59.525 -1.225 18356 3753 1 4 . 1 1 160 160 GLU CB C 160 30.000 30.000 29.742 0.258 18356 3754 1 4 . 1 1 160 160 GLU H H 160 7.850 7.850 7.900 -0.050 18356 3755 1 4 . 1 1 161 161 LYS N N 161 118.100 118.100 116.919 1.181 18356 3756 1 4 . 1 1 161 161 LYS HA H 161 4.070 4.070 4.095 -0.025 18356 3757 1 4 . 1 1 161 161 LYS C C 161 177.600 177.600 178.334 -0.734 18356 3758 1 4 . 1 1 161 161 LYS CA C 161 57.800 57.800 57.503 0.297 18356 3759 1 4 . 1 1 161 161 LYS CB C 161 33.200 33.200 31.834 1.366 18356 3760 1 4 . 1 1 161 161 LYS H H 161 7.660 7.660 7.816 -0.156 18356 3761 1 4 . 1 1 162 162 TYR N N 162 115.400 115.400 119.017 -3.617 18356 3762 1 4 . 1 1 162 162 TYR HA H 162 4.750 4.750 4.305 0.445 18356 3763 1 4 . 1 1 162 162 TYR C C 162 176.000 176.000 176.157 -0.157 18356 3764 1 4 . 1 1 162 162 TYR CA C 162 59.000 59.000 59.321 -0.321 18356 3765 1 4 . 1 1 162 162 TYR CB C 162 39.800 39.800 38.746 1.054 18356 3766 1 4 . 1 1 162 162 TYR H H 162 8.090 8.090 7.603 0.487 18356 3767 1 4 . 1 1 163 163 GLY N N 163 109.000 109.000 106.645 2.355 18356 3768 1 4 . 1 1 163 163 GLY C C 163 173.500 173.500 173.672 -0.172 18356 3769 1 4 . 1 1 163 163 GLY CA C 163 45.500 45.500 44.448 1.052 18356 3770 1 4 . 1 1 163 163 GLY H H 163 8.090 8.090 7.490 0.600 18356 3771 1 4 . 1 1 164 164 ASP N N 164 120.100 120.100 121.280 -1.180 18356 3772 1 4 . 1 1 164 164 ASP HA H 164 4.640 4.640 4.277 0.363 18356 3773 1 4 . 1 1 164 164 ASP C C 164 175.300 175.300 173.764 1.536 18356 3774 1 4 . 1 1 164 164 ASP CA C 164 54.600 54.600 55.369 -0.769 18356 3775 1 4 . 1 1 164 164 ASP CB C 164 41.700 41.700 39.512 2.188 18356 3776 1 4 . 1 1 164 164 ASP H H 164 8.320 8.320 8.047 0.273 18356 3777 1 5 . 1 1 2 2 SER N N 2 115.100 115.100 119.134 -4.034 18356 3778 1 5 . 1 1 2 2 SER HA H 2 4.820 4.820 4.408 0.412 18356 3779 1 5 . 1 1 2 2 SER CA C 2 62.300 62.300 60.511 1.789 18356 3780 1 5 . 1 1 2 2 SER CB C 2 67.300 67.300 63.754 3.546 18356 3781 1 5 . 1 1 2 2 SER H H 2 8.350 8.350 8.985 -0.635 18356 3782 1 5 . 1 1 3 3 SER HA H 3 3.860 3.860 4.536 -0.676 18356 3783 1 5 . 1 1 3 3 SER CA C 3 55.800 55.800 57.798 -1.998 18356 3784 1 5 . 1 1 3 3 SER CB C 3 61.300 61.300 63.525 -2.225 18356 3785 1 5 . 1 1 4 4 GLY N N 4 110.700 110.700 109.886 0.814 18356 3786 1 5 . 1 1 4 4 GLY C C 4 173.400 173.400 174.792 -1.392 18356 3787 1 5 . 1 1 4 4 GLY CA C 4 45.100 45.100 45.796 -0.696 18356 3788 1 5 . 1 1 4 4 GLY H H 4 8.320 8.320 7.630 0.690 18356 3789 1 5 . 1 1 5 5 VAL N N 5 119.400 119.400 119.508 -0.108 18356 3790 1 5 . 1 1 5 5 VAL HA H 5 4.200 4.200 3.994 0.206 18356 3791 1 5 . 1 1 5 5 VAL C C 5 175.300 175.300 175.799 -0.499 18356 3792 1 5 . 1 1 5 5 VAL CA C 5 61.700 61.700 63.707 -2.007 18356 3793 1 5 . 1 1 5 5 VAL CB C 5 33.100 33.100 32.677 0.423 18356 3794 1 5 . 1 1 5 5 VAL H H 5 7.810 7.810 7.681 0.129 18356 3795 1 5 . 1 1 6 6 MET N N 6 124.000 124.000 129.696 -5.696 18356 3796 1 5 . 1 1 6 6 MET HA H 6 4.650 4.650 4.728 -0.078 18356 3797 1 5 . 1 1 6 6 MET C C 6 174.800 174.800 174.757 0.043 18356 3798 1 5 . 1 1 6 6 MET CA C 6 54.200 54.200 54.311 -0.111 18356 3799 1 5 . 1 1 6 6 MET CB C 6 36.000 36.000 34.809 1.191 18356 3800 1 5 . 1 1 6 6 MET H H 6 8.180 8.180 9.168 -0.988 18356 3801 1 5 . 1 1 7 7 VAL N N 7 122.400 122.400 124.551 -2.151 18356 3802 1 5 . 1 1 7 7 VAL HA H 7 4.090 4.090 4.176 -0.086 18356 3803 1 5 . 1 1 7 7 VAL C C 7 175.500 175.500 174.655 0.845 18356 3804 1 5 . 1 1 7 7 VAL CA C 7 62.300 62.300 61.348 0.952 18356 3805 1 5 . 1 1 7 7 VAL CB C 7 32.500 32.500 33.044 -0.544 18356 3806 1 5 . 1 1 7 7 VAL H H 7 8.790 8.790 8.435 0.355 18356 3807 1 5 . 1 1 8 8 ASP N N 8 131.400 131.400 130.399 1.001 18356 3808 1 5 . 1 1 8 8 ASP HA H 8 4.710 4.710 4.842 -0.132 18356 3809 1 5 . 1 1 8 8 ASP C C 8 175.800 175.800 175.596 0.204 18356 3810 1 5 . 1 1 8 8 ASP CA C 8 53.900 53.900 52.259 1.641 18356 3811 1 5 . 1 1 8 8 ASP CB C 8 44.800 44.800 42.105 2.695 18356 3812 1 5 . 1 1 8 8 ASP H H 8 8.800 8.800 8.348 0.452 18356 3813 1 5 . 1 1 9 9 PRO HA H 9 4.480 4.480 4.256 0.224 18356 3814 1 5 . 1 1 9 9 PRO CA C 9 63.000 63.000 64.112 -1.112 18356 3815 1 5 . 1 1 10 10 ASP N N 10 116.700 116.700 119.093 -2.393 18356 3816 1 5 . 1 1 10 10 ASP HA H 10 4.780 4.780 4.513 0.267 18356 3817 1 5 . 1 1 10 10 ASP C C 10 179.100 179.100 178.579 0.521 18356 3818 1 5 . 1 1 10 10 ASP CA C 10 56.200 56.200 57.176 -0.976 18356 3819 1 5 . 1 1 10 10 ASP CB C 10 40.700 40.700 40.992 -0.292 18356 3820 1 5 . 1 1 10 10 ASP H H 10 9.060 9.060 7.929 1.131 18356 3821 1 5 . 1 1 11 11 VAL N N 11 122.600 122.600 119.431 3.169 18356 3822 1 5 . 1 1 11 11 VAL HA H 11 3.630 3.630 3.815 -0.185 18356 3823 1 5 . 1 1 11 11 VAL C C 11 176.900 176.900 178.258 -1.358 18356 3824 1 5 . 1 1 11 11 VAL CA C 11 67.400 67.400 66.489 0.911 18356 3825 1 5 . 1 1 11 11 VAL CB C 11 31.100 31.100 31.508 -0.408 18356 3826 1 5 . 1 1 11 11 VAL H H 11 8.510 8.510 7.808 0.702 18356 3827 1 5 . 1 1 12 12 GLN N N 12 117.400 117.400 117.371 0.029 18356 3828 1 5 . 1 1 12 12 GLN HA H 12 4.030 4.030 4.128 -0.098 18356 3829 1 5 . 1 1 12 12 GLN C C 12 178.800 178.800 178.519 0.281 18356 3830 1 5 . 1 1 12 12 GLN CA C 12 59.800 59.800 58.837 0.963 18356 3831 1 5 . 1 1 12 12 GLN CB C 12 29.000 29.000 28.814 0.186 18356 3832 1 5 . 1 1 12 12 GLN H H 12 7.740 7.740 7.632 0.108 18356 3833 1 5 . 1 1 13 13 THR N N 13 113.600 113.600 112.607 0.993 18356 3834 1 5 . 1 1 13 13 THR HA H 13 4.020 4.020 4.130 -0.110 18356 3835 1 5 . 1 1 13 13 THR C C 13 177.600 177.600 176.886 0.714 18356 3836 1 5 . 1 1 13 13 THR CA C 13 66.100 66.100 66.029 0.071 18356 3837 1 5 . 1 1 13 13 THR CB C 13 68.400 68.400 68.656 -0.256 18356 3838 1 5 . 1 1 13 13 THR H H 13 7.910 7.910 7.897 0.013 18356 3839 1 5 . 1 1 14 14 SER N N 14 118.100 118.100 119.004 -0.904 18356 3840 1 5 . 1 1 14 14 SER HA H 14 4.330 4.330 4.329 0.001 18356 3841 1 5 . 1 1 14 14 SER C C 14 175.900 175.900 176.757 -0.857 18356 3842 1 5 . 1 1 14 14 SER CA C 14 63.400 63.400 61.386 2.014 18356 3843 1 5 . 1 1 14 14 SER CB C 14 62.300 62.300 62.529 -0.229 18356 3844 1 5 . 1 1 14 14 SER H H 14 8.630 8.630 8.117 0.513 18356 3845 1 5 . 1 1 15 15 PHE N N 15 122.400 122.400 121.700 0.700 18356 3846 1 5 . 1 1 15 15 PHE HA H 15 4.260 4.260 4.197 0.063 18356 3847 1 5 . 1 1 15 15 PHE C C 15 178.900 178.900 177.607 1.293 18356 3848 1 5 . 1 1 15 15 PHE CA C 15 62.200 62.200 61.681 0.519 18356 3849 1 5 . 1 1 15 15 PHE CB C 15 40.000 40.000 38.368 1.632 18356 3850 1 5 . 1 1 15 15 PHE H H 15 8.280 8.280 7.601 0.679 18356 3851 1 5 . 1 1 16 16 GLN N N 16 121.400 121.400 117.406 3.994 18356 3852 1 5 . 1 1 16 16 GLN HA H 16 3.970 3.970 4.059 -0.089 18356 3853 1 5 . 1 1 16 16 GLN C C 16 177.600 177.600 177.753 -0.153 18356 3854 1 5 . 1 1 16 16 GLN CA C 16 59.400 59.400 58.958 0.442 18356 3855 1 5 . 1 1 16 16 GLN CB C 16 28.100 28.100 28.742 -0.642 18356 3856 1 5 . 1 1 16 16 GLN H H 16 8.600 8.600 7.840 0.760 18356 3857 1 5 . 1 1 17 17 LYS N N 17 117.000 117.000 117.067 -0.067 18356 3858 1 5 . 1 1 17 17 LYS HA H 17 4.180 4.180 4.344 -0.164 18356 3859 1 5 . 1 1 17 17 LYS C C 17 175.200 175.200 177.752 -2.552 18356 3860 1 5 . 1 1 17 17 LYS CA C 17 58.800 58.800 58.002 0.798 18356 3861 1 5 . 1 1 17 17 LYS CB C 17 33.300 33.300 32.280 1.020 18356 3862 1 5 . 1 1 17 17 LYS H H 17 7.440 7.440 7.749 -0.309 18356 3863 1 5 . 1 1 18 18 LEU N N 18 118.900 118.900 122.649 -3.749 18356 3864 1 5 . 1 1 18 18 LEU HA H 18 4.440 4.440 4.835 -0.395 18356 3865 1 5 . 1 1 18 18 LEU C C 18 173.600 173.600 178.080 -4.480 18356 3866 1 5 . 1 1 18 18 LEU CA C 18 57.200 57.200 56.946 0.254 18356 3867 1 5 . 1 1 18 18 LEU CB C 18 44.200 44.200 42.433 1.767 18356 3868 1 5 . 1 1 18 18 LEU H H 18 7.510 7.510 7.318 0.192 18356 3869 1 5 . 1 1 19 19 SER N N 19 110.200 110.200 114.396 -4.196 18356 3870 1 5 . 1 1 19 19 SER HA H 19 3.980 3.980 4.203 -0.223 18356 3871 1 5 . 1 1 19 19 SER C C 19 174.400 174.400 176.883 -2.483 18356 3872 1 5 . 1 1 19 19 SER CA C 19 59.500 59.500 61.536 -2.036 18356 3873 1 5 . 1 1 19 19 SER CB C 19 65.200 65.200 63.073 2.127 18356 3874 1 5 . 1 1 19 19 SER H H 19 7.860 7.860 8.149 -0.289 18356 3875 1 5 . 1 1 20 20 GLU N N 20 120.500 120.500 120.642 -0.142 18356 3876 1 5 . 1 1 20 20 GLU HA H 20 4.530 4.530 4.393 0.137 18356 3877 1 5 . 1 1 20 20 GLU C C 20 176.100 176.100 177.219 -1.119 18356 3878 1 5 . 1 1 20 20 GLU CA C 20 55.400 55.400 56.461 -1.061 18356 3879 1 5 . 1 1 20 20 GLU CB C 20 31.700 31.700 30.208 1.492 18356 3880 1 5 . 1 1 20 20 GLU H H 20 7.990 7.990 8.209 -0.219 18356 3881 1 5 . 1 1 21 21 GLY N N 21 107.000 107.000 108.610 -1.610 18356 3882 1 5 . 1 1 21 21 GLY C C 21 175.400 175.400 173.702 1.698 18356 3883 1 5 . 1 1 21 21 GLY CA C 21 46.800 46.800 44.853 1.947 18356 3884 1 5 . 1 1 21 21 GLY H H 21 8.480 8.480 7.732 0.748 18356 3885 1 5 . 1 1 22 22 ARG N N 22 124.100 124.100 123.557 0.543 18356 3886 1 5 . 1 1 22 22 ARG HA H 22 4.130 4.130 4.761 -0.631 18356 3887 1 5 . 1 1 22 22 ARG C C 22 175.900 175.900 176.671 -0.771 18356 3888 1 5 . 1 1 22 22 ARG CA C 22 56.900 56.900 55.651 1.249 18356 3889 1 5 . 1 1 22 22 ARG CB C 22 29.900 29.900 29.965 -0.066 18356 3890 1 5 . 1 1 22 22 ARG H H 22 8.680 8.680 8.703 -0.023 18356 3891 1 5 . 1 1 23 23 LYS N N 23 117.800 117.800 118.470 -0.670 18356 3892 1 5 . 1 1 23 23 LYS HA H 23 3.950 3.950 4.208 -0.258 18356 3893 1 5 . 1 1 23 23 LYS C C 23 176.200 176.200 178.244 -2.044 18356 3894 1 5 . 1 1 23 23 LYS CA C 23 57.200 57.200 58.747 -1.547 18356 3895 1 5 . 1 1 23 23 LYS CB C 23 29.900 29.900 31.806 -1.906 18356 3896 1 5 . 1 1 23 23 LYS H H 23 8.130 8.130 8.192 -0.062 18356 3897 1 5 . 1 1 24 24 GLU N N 24 117.900 117.900 118.922 -1.022 18356 3898 1 5 . 1 1 24 24 GLU HA H 24 3.910 3.910 3.941 -0.031 18356 3899 1 5 . 1 1 24 24 GLU C C 24 177.500 177.500 176.479 1.021 18356 3900 1 5 . 1 1 24 24 GLU CA C 24 58.500 58.500 57.871 0.629 18356 3901 1 5 . 1 1 24 24 GLU CB C 24 30.900 30.900 29.344 1.556 18356 3902 1 5 . 1 1 24 24 GLU H H 24 8.170 8.170 8.637 -0.467 18356 3903 1 5 . 1 1 25 25 TYR N N 25 113.100 113.100 118.724 -5.624 18356 3904 1 5 . 1 1 25 25 TYR HA H 25 4.530 4.530 4.778 -0.248 18356 3905 1 5 . 1 1 25 25 TYR C C 25 173.600 173.600 174.944 -1.344 18356 3906 1 5 . 1 1 25 25 TYR CA C 25 55.300 55.300 57.074 -1.774 18356 3907 1 5 . 1 1 25 25 TYR CB C 25 40.200 40.200 39.059 1.141 18356 3908 1 5 . 1 1 25 25 TYR H H 25 6.950 6.950 7.614 -0.664 18356 3909 1 5 . 1 1 26 26 ARG N N 26 120.500 120.500 122.828 -2.328 18356 3910 1 5 . 1 1 26 26 ARG HA H 26 4.660 4.660 4.587 0.073 18356 3911 1 5 . 1 1 26 26 ARG C C 26 174.600 174.600 174.935 -0.335 18356 3912 1 5 . 1 1 26 26 ARG CA C 26 54.000 54.000 56.938 -2.938 18356 3913 1 5 . 1 1 26 26 ARG CB C 26 31.500 31.500 32.339 -0.839 18356 3914 1 5 . 1 1 26 26 ARG H H 26 9.450 9.450 8.920 0.530 18356 3915 1 5 . 1 1 27 27 TYR N N 27 109.700 109.700 114.214 -4.514 18356 3916 1 5 . 1 1 27 27 TYR HA H 27 4.930 4.930 5.343 -0.413 18356 3917 1 5 . 1 1 27 27 TYR C C 27 172.700 172.700 173.797 -1.097 18356 3918 1 5 . 1 1 27 27 TYR CA C 27 56.200 56.200 56.300 -0.100 18356 3919 1 5 . 1 1 27 27 TYR CB C 27 40.800 40.800 40.631 0.169 18356 3920 1 5 . 1 1 27 27 TYR H H 27 7.450 7.450 7.441 0.009 18356 3921 1 5 . 1 1 28 28 ILE N N 28 117.400 117.400 123.457 -6.057 18356 3922 1 5 . 1 1 28 28 ILE HA H 28 4.780 4.780 4.462 0.318 18356 3923 1 5 . 1 1 28 28 ILE C C 28 174.400 174.400 173.805 0.595 18356 3924 1 5 . 1 1 28 28 ILE CA C 28 60.200 60.200 59.819 0.381 18356 3925 1 5 . 1 1 28 28 ILE CB C 28 43.300 43.300 42.786 0.514 18356 3926 1 5 . 1 1 28 28 ILE H H 28 8.750 8.750 8.270 0.480 18356 3927 1 5 . 1 1 29 29 ILE N N 29 125.100 125.100 121.304 3.796 18356 3928 1 5 . 1 1 29 29 ILE HA H 29 4.670 4.670 5.310 -0.640 18356 3929 1 5 . 1 1 29 29 ILE C C 29 174.600 174.600 173.567 1.033 18356 3930 1 5 . 1 1 29 29 ILE CA C 29 60.800 60.800 59.579 1.221 18356 3931 1 5 . 1 1 29 29 ILE CB C 29 40.500 40.500 41.420 -0.920 18356 3932 1 5 . 1 1 29 29 ILE H H 29 9.180 9.180 8.139 1.041 18356 3933 1 5 . 1 1 30 30 PHE N N 30 126.100 126.100 122.776 3.324 18356 3934 1 5 . 1 1 30 30 PHE HA H 30 5.760 5.760 5.541 0.219 18356 3935 1 5 . 1 1 30 30 PHE C C 30 174.100 174.100 174.456 -0.356 18356 3936 1 5 . 1 1 30 30 PHE CA C 30 55.900 55.900 56.653 -0.753 18356 3937 1 5 . 1 1 30 30 PHE CB C 30 42.300 42.300 43.998 -1.698 18356 3938 1 5 . 1 1 30 30 PHE H H 30 9.650 9.650 9.252 0.398 18356 3939 1 5 . 1 1 31 31 LYS N N 31 118.900 118.900 119.355 -0.455 18356 3940 1 5 . 1 1 31 31 LYS HA H 31 5.320 5.320 5.468 -0.148 18356 3941 1 5 . 1 1 31 31 LYS C C 31 173.000 173.000 174.424 -1.424 18356 3942 1 5 . 1 1 31 31 LYS CA C 31 53.800 53.800 54.910 -1.110 18356 3943 1 5 . 1 1 31 31 LYS CB C 31 38.100 38.100 37.522 0.578 18356 3944 1 5 . 1 1 31 31 LYS H H 31 8.990 8.990 9.655 -0.665 18356 3945 1 5 . 1 1 32 32 ILE N N 32 120.500 120.500 122.262 -1.762 18356 3946 1 5 . 1 1 32 32 ILE HA H 32 4.780 4.780 4.723 0.057 18356 3947 1 5 . 1 1 32 32 ILE C C 32 175.200 175.200 173.688 1.512 18356 3948 1 5 . 1 1 32 32 ILE CA C 32 60.700 60.700 59.874 0.826 18356 3949 1 5 . 1 1 32 32 ILE CB C 32 41.300 41.300 40.526 0.773 18356 3950 1 5 . 1 1 32 32 ILE H H 32 8.420 8.420 8.554 -0.134 18356 3951 1 5 . 1 1 33 33 ASP N N 33 130.100 130.100 129.748 0.352 18356 3952 1 5 . 1 1 33 33 ASP HA H 33 4.880 4.880 4.862 0.018 18356 3953 1 5 . 1 1 33 33 ASP C C 33 175.300 175.300 176.590 -1.290 18356 3954 1 5 . 1 1 33 33 ASP CA C 33 53.500 53.500 52.979 0.521 18356 3955 1 5 . 1 1 33 33 ASP CB C 33 44.500 44.500 43.281 1.220 18356 3956 1 5 . 1 1 33 33 ASP H H 33 9.270 9.270 8.939 0.331 18356 3957 1 5 . 1 1 34 34 GLU N N 34 123.600 123.600 126.313 -2.713 18356 3958 1 5 . 1 1 34 34 GLU HA H 34 3.730 3.730 4.143 -0.413 18356 3959 1 5 . 1 1 34 34 GLU C C 34 175.000 175.000 177.131 -2.131 18356 3960 1 5 . 1 1 34 34 GLU CA C 34 58.200 58.200 57.965 0.235 18356 3961 1 5 . 1 1 34 34 GLU CB C 34 27.500 27.500 29.558 -2.058 18356 3962 1 5 . 1 1 34 34 GLU H H 34 9.040 9.040 8.823 0.217 18356 3963 1 5 . 1 1 35 35 ASN N N 35 114.200 114.200 117.255 -3.055 18356 3964 1 5 . 1 1 35 35 ASN HA H 35 4.380 4.380 4.638 -0.258 18356 3965 1 5 . 1 1 35 35 ASN C C 35 173.500 173.500 174.829 -1.329 18356 3966 1 5 . 1 1 35 35 ASN CA C 35 53.700 53.700 54.642 -0.943 18356 3967 1 5 . 1 1 35 35 ASN CB C 35 38.500 38.500 39.443 -0.943 18356 3968 1 5 . 1 1 35 35 ASN H H 35 8.570 8.570 8.299 0.271 18356 3969 1 5 . 1 1 36 36 LYS N N 36 118.400 118.400 118.815 -0.415 18356 3970 1 5 . 1 1 36 36 LYS HA H 36 5.340 5.340 4.592 0.748 18356 3971 1 5 . 1 1 36 36 LYS C C 36 174.900 174.900 174.664 0.236 18356 3972 1 5 . 1 1 36 36 LYS CA C 36 54.500 54.500 54.768 -0.268 18356 3973 1 5 . 1 1 36 36 LYS CB C 36 36.100 36.100 35.329 0.771 18356 3974 1 5 . 1 1 36 36 LYS H H 36 7.750 7.750 7.960 -0.210 18356 3975 1 5 . 1 1 37 37 VAL N N 37 122.900 122.900 117.532 5.368 18356 3976 1 5 . 1 1 37 37 VAL HA H 37 4.550 4.550 4.447 0.103 18356 3977 1 5 . 1 1 37 37 VAL C C 37 174.600 174.600 174.856 -0.256 18356 3978 1 5 . 1 1 37 37 VAL CA C 37 62.000 62.000 61.388 0.612 18356 3979 1 5 . 1 1 37 37 VAL CB C 37 32.300 32.300 31.890 0.410 18356 3980 1 5 . 1 1 37 37 VAL H H 37 8.790 8.790 8.370 0.420 18356 3981 1 5 . 1 1 38 38 ILE N N 38 119.600 119.600 121.116 -1.516 18356 3982 1 5 . 1 1 38 38 ILE HA H 38 4.880 4.880 5.300 -0.420 18356 3983 1 5 . 1 1 38 38 ILE C C 38 176.200 176.200 175.919 0.281 18356 3984 1 5 . 1 1 38 38 ILE CA C 38 59.300 59.300 59.110 0.190 18356 3985 1 5 . 1 1 38 38 ILE CB C 38 42.800 42.800 40.879 1.921 18356 3986 1 5 . 1 1 38 38 ILE H H 38 9.230 9.230 7.590 1.640 18356 3987 1 5 . 1 1 39 39 VAL N N 39 121.300 121.300 126.299 -4.999 18356 3988 1 5 . 1 1 39 39 VAL HA H 39 3.850 3.850 4.434 -0.584 18356 3989 1 5 . 1 1 39 39 VAL C C 39 175.300 175.300 175.947 -0.647 18356 3990 1 5 . 1 1 39 39 VAL CA C 39 63.900 63.900 62.134 1.766 18356 3991 1 5 . 1 1 39 39 VAL CB C 39 32.100 32.100 30.304 1.796 18356 3992 1 5 . 1 1 39 39 VAL H H 39 9.070 9.070 8.099 0.971 18356 3993 1 5 . 1 1 40 40 GLU N N 40 131.200 131.200 127.430 3.770 18356 3994 1 5 . 1 1 40 40 GLU HA H 40 4.270 4.270 4.945 -0.675 18356 3995 1 5 . 1 1 40 40 GLU C C 40 176.000 176.000 174.601 1.399 18356 3996 1 5 . 1 1 40 40 GLU CA C 40 57.200 57.200 53.844 3.356 18356 3997 1 5 . 1 1 40 40 GLU CB C 40 32.300 32.300 32.714 -0.414 18356 3998 1 5 . 1 1 40 40 GLU H H 40 9.230 9.230 8.548 0.682 18356 3999 1 5 . 1 1 41 41 ALA N N 41 118.100 118.100 123.514 -5.414 18356 4000 1 5 . 1 1 41 41 ALA HA H 41 4.440 4.440 4.503 -0.063 18356 4001 1 5 . 1 1 41 41 ALA C C 41 173.300 173.300 176.307 -3.007 18356 4002 1 5 . 1 1 41 41 ALA CA C 41 52.000 52.000 50.713 1.287 18356 4003 1 5 . 1 1 41 41 ALA CB C 41 21.800 21.800 19.819 1.981 18356 4004 1 5 . 1 1 41 41 ALA H H 41 7.670 7.670 8.552 -0.882 18356 4005 1 5 . 1 1 42 42 ALA N N 42 127.600 127.600 122.268 5.332 18356 4006 1 5 . 1 1 42 42 ALA HA H 42 4.520 4.520 4.665 -0.145 18356 4007 1 5 . 1 1 42 42 ALA C C 42 174.900 174.900 175.153 -0.253 18356 4008 1 5 . 1 1 42 42 ALA CA C 42 51.700 51.700 51.209 0.491 18356 4009 1 5 . 1 1 42 42 ALA CB C 42 19.100 19.100 21.301 -2.201 18356 4010 1 5 . 1 1 42 42 ALA H H 42 8.480 8.480 8.111 0.369 18356 4011 1 5 . 1 1 43 43 VAL N N 43 124.900 124.900 117.456 7.444 18356 4012 1 5 . 1 1 43 43 VAL HA H 43 4.350 4.350 4.465 -0.115 18356 4013 1 5 . 1 1 43 43 VAL C C 43 176.100 176.100 175.819 0.281 18356 4014 1 5 . 1 1 43 43 VAL CA C 43 62.100 62.100 61.452 0.648 18356 4015 1 5 . 1 1 43 43 VAL CB C 43 34.300 34.300 33.229 1.071 18356 4016 1 5 . 1 1 43 43 VAL H H 43 7.820 7.820 8.239 -0.419 18356 4017 1 5 . 1 1 44 44 THR N N 44 119.400 119.400 114.855 4.545 18356 4018 1 5 . 1 1 44 44 THR HA H 44 4.800 4.800 4.544 0.256 18356 4019 1 5 . 1 1 44 44 THR C C 44 174.300 174.300 175.846 -1.546 18356 4020 1 5 . 1 1 44 44 THR CA C 44 60.300 60.300 60.617 -0.317 18356 4021 1 5 . 1 1 44 44 THR CB C 44 71.200 71.200 70.516 0.684 18356 4022 1 5 . 1 1 44 44 THR H H 44 8.670 8.670 8.062 0.608 18356 4023 1 5 . 1 1 45 45 GLN N N 45 119.800 119.800 120.146 -0.346 18356 4024 1 5 . 1 1 45 45 GLN HA H 45 4.010 4.010 4.170 -0.160 18356 4025 1 5 . 1 1 45 45 GLN C C 45 179.600 179.600 177.046 2.554 18356 4026 1 5 . 1 1 45 45 GLN CA C 45 59.000 59.000 58.216 0.784 18356 4027 1 5 . 1 1 45 45 GLN CB C 45 27.600 27.600 28.828 -1.228 18356 4028 1 5 . 1 1 45 45 GLN H H 45 8.660 8.660 8.462 0.198 18356 4029 1 5 . 1 1 46 46 ASP N N 46 117.300 117.300 118.742 -1.442 18356 4030 1 5 . 1 1 46 46 ASP HA H 46 4.390 4.390 4.347 0.043 18356 4031 1 5 . 1 1 46 46 ASP C C 46 178.900 178.900 177.176 1.724 18356 4032 1 5 . 1 1 46 46 ASP CA C 46 57.100 57.100 56.405 0.695 18356 4033 1 5 . 1 1 46 46 ASP CB C 46 40.800 40.800 39.915 0.885 18356 4034 1 5 . 1 1 46 46 ASP H H 46 8.430 8.430 8.787 -0.357 18356 4035 1 5 . 1 1 47 47 GLN N N 47 118.900 118.900 118.080 0.820 18356 4036 1 5 . 1 1 47 47 GLN HA H 47 4.030 4.030 4.402 -0.372 18356 4037 1 5 . 1 1 47 47 GLN C C 47 178.000 178.000 177.678 0.322 18356 4038 1 5 . 1 1 47 47 GLN CA C 47 57.800 57.800 57.727 0.073 18356 4039 1 5 . 1 1 47 47 GLN CB C 47 29.100 29.100 28.165 0.935 18356 4040 1 5 . 1 1 47 47 GLN H H 47 7.830 7.830 7.755 0.075 18356 4041 1 5 . 1 1 48 48 LEU N N 48 118.100 118.100 114.663 3.437 18356 4042 1 5 . 1 1 48 48 LEU HA H 48 4.180 4.180 4.519 -0.339 18356 4043 1 5 . 1 1 48 48 LEU C C 48 177.600 177.600 177.666 -0.066 18356 4044 1 5 . 1 1 48 48 LEU CA C 48 56.300 56.300 55.821 0.479 18356 4045 1 5 . 1 1 48 48 LEU CB C 48 43.100 43.100 41.423 1.677 18356 4046 1 5 . 1 1 48 48 LEU H H 48 7.560 7.560 7.440 0.120 18356 4047 1 5 . 1 1 49 49 GLY N N 49 105.600 105.600 107.064 -1.464 18356 4048 1 5 . 1 1 49 49 GLY C C 49 174.700 174.700 173.989 0.711 18356 4049 1 5 . 1 1 49 49 GLY CA C 49 47.000 47.000 45.517 1.484 18356 4050 1 5 . 1 1 49 49 GLY H H 49 7.570 7.570 8.026 -0.456 18356 4051 1 5 . 1 1 50 50 ILE N N 50 117.700 117.700 122.571 -4.871 18356 4052 1 5 . 1 1 50 50 ILE HA H 50 4.340 4.340 4.380 -0.040 18356 4053 1 5 . 1 1 50 50 ILE C C 50 176.500 176.500 175.156 1.344 18356 4054 1 5 . 1 1 50 50 ILE CA C 50 59.900 59.900 60.403 -0.503 18356 4055 1 5 . 1 1 50 50 ILE CB C 50 38.900 38.900 39.937 -1.037 18356 4056 1 5 . 1 1 50 50 ILE H H 50 7.940 7.940 8.351 -0.411 18356 4057 1 5 . 1 1 51 51 THR N N 51 117.500 117.500 120.958 -3.458 18356 4058 1 5 . 1 1 51 51 THR HA H 51 4.420 4.420 4.472 -0.052 18356 4059 1 5 . 1 1 51 51 THR C C 51 174.900 174.900 175.220 -0.320 18356 4060 1 5 . 1 1 51 51 THR CA C 51 61.700 61.700 63.735 -2.035 18356 4061 1 5 . 1 1 51 51 THR CB C 51 69.900 69.900 69.163 0.737 18356 4062 1 5 . 1 1 51 51 THR H H 51 8.480 8.480 8.865 -0.385 18356 4063 1 5 . 1 1 52 52 GLY N N 52 111.200 111.200 109.086 2.114 18356 4064 1 5 . 1 1 52 52 GLY C C 52 172.700 172.700 173.200 -0.500 18356 4065 1 5 . 1 1 52 52 GLY CA C 52 44.600 44.600 44.831 -0.231 18356 4066 1 5 . 1 1 52 52 GLY H H 52 8.080 8.080 8.273 -0.193 18356 4067 1 5 . 1 1 53 53 ASP N N 53 120.800 120.800 123.149 -2.349 18356 4068 1 5 . 1 1 53 53 ASP HA H 53 4.660 4.660 4.580 0.080 18356 4069 1 5 . 1 1 53 53 ASP C C 53 177.800 177.800 174.592 3.208 18356 4070 1 5 . 1 1 53 53 ASP CA C 53 53.900 53.900 53.969 -0.069 18356 4071 1 5 . 1 1 53 53 ASP CB C 53 42.700 42.700 39.618 3.082 18356 4072 1 5 . 1 1 53 53 ASP H H 53 8.490 8.490 7.914 0.576 18356 4073 1 5 . 1 1 54 54 ASP N N 54 124.100 124.100 122.061 2.039 18356 4074 1 5 . 1 1 54 54 ASP HA H 54 4.630 4.630 4.561 0.069 18356 4075 1 5 . 1 1 54 54 ASP C C 54 177.100 177.100 176.545 0.555 18356 4076 1 5 . 1 1 54 54 ASP CA C 54 56.600 56.600 54.578 2.022 18356 4077 1 5 . 1 1 54 54 ASP CB C 54 42.800 42.800 42.861 -0.062 18356 4078 1 5 . 1 1 54 54 ASP H H 54 8.500 8.500 7.970 0.530 18356 4079 1 5 . 1 1 55 55 TYR N N 55 114.900 114.900 118.557 -3.657 18356 4080 1 5 . 1 1 55 55 TYR HA H 55 4.560 4.560 4.166 0.394 18356 4081 1 5 . 1 1 55 55 TYR C C 55 178.900 178.900 176.751 2.149 18356 4082 1 5 . 1 1 55 55 TYR CA C 55 62.400 62.400 59.556 2.845 18356 4083 1 5 . 1 1 55 55 TYR CB C 55 37.300 37.300 37.038 0.262 18356 4084 1 5 . 1 1 55 55 TYR H H 55 8.350 8.350 8.172 0.178 18356 4085 1 5 . 1 1 56 56 ASP N N 56 119.600 119.600 118.774 0.826 18356 4086 1 5 . 1 1 56 56 ASP HA H 56 4.560 4.560 4.487 0.073 18356 4087 1 5 . 1 1 56 56 ASP C C 56 177.300 177.300 177.031 0.269 18356 4088 1 5 . 1 1 56 56 ASP CA C 56 57.200 57.200 55.991 1.209 18356 4089 1 5 . 1 1 56 56 ASP CB C 56 40.600 40.600 40.566 0.034 18356 4090 1 5 . 1 1 56 56 ASP H H 56 8.320 8.320 7.979 0.341 18356 4091 1 5 . 1 1 57 57 ASP N N 57 116.600 116.600 118.896 -2.296 18356 4092 1 5 . 1 1 57 57 ASP HA H 57 4.940 4.940 4.603 0.337 18356 4093 1 5 . 1 1 57 57 ASP C C 57 178.100 178.100 177.600 0.500 18356 4094 1 5 . 1 1 57 57 ASP CA C 57 52.400 52.400 55.623 -3.223 18356 4095 1 5 . 1 1 57 57 ASP CB C 57 41.100 41.100 41.933 -0.833 18356 4096 1 5 . 1 1 57 57 ASP H H 57 7.740 7.740 7.707 0.033 18356 4097 1 5 . 1 1 58 58 SER N N 58 117.600 117.600 112.722 4.878 18356 4098 1 5 . 1 1 58 58 SER HA H 58 4.800 4.800 4.569 0.231 18356 4099 1 5 . 1 1 58 58 SER C C 58 174.600 174.600 175.678 -1.078 18356 4100 1 5 . 1 1 58 58 SER CA C 58 60.200 60.200 59.477 0.723 18356 4101 1 5 . 1 1 58 58 SER CB C 58 63.000 63.000 64.355 -1.355 18356 4102 1 5 . 1 1 58 58 SER H H 58 8.130 8.130 7.930 0.200 18356 4103 1 5 . 1 1 59 59 SER N N 59 105.400 105.400 114.746 -9.346 18356 4104 1 5 . 1 1 59 59 SER HA H 59 4.580 4.580 4.130 0.450 18356 4105 1 5 . 1 1 59 59 SER C C 59 173.200 173.200 174.768 -1.568 18356 4106 1 5 . 1 1 59 59 SER CA C 59 60.500 60.500 61.707 -1.207 18356 4107 1 5 . 1 1 59 59 SER CB C 59 66.100 66.100 61.460 4.640 18356 4108 1 5 . 1 1 59 59 SER H H 59 9.010 9.010 8.170 0.840 18356 4109 1 5 . 1 1 60 60 LYS N N 60 123.100 123.100 121.853 1.247 18356 4110 1 5 . 1 1 60 60 LYS HA H 60 4.080 4.080 4.551 -0.471 18356 4111 1 5 . 1 1 60 60 LYS C C 60 176.500 176.500 178.252 -1.752 18356 4112 1 5 . 1 1 60 60 LYS CA C 60 61.000 61.000 58.192 2.808 18356 4113 1 5 . 1 1 60 60 LYS CB C 60 32.800 32.800 32.795 0.005 18356 4114 1 5 . 1 1 60 60 LYS H H 60 7.450 7.450 8.266 -0.816 18356 4115 1 5 . 1 1 61 61 ALA N N 61 120.700 120.700 121.572 -0.872 18356 4116 1 5 . 1 1 61 61 ALA HA H 61 4.130 4.130 4.140 -0.010 18356 4117 1 5 . 1 1 61 61 ALA C C 61 181.800 181.800 179.028 2.772 18356 4118 1 5 . 1 1 61 61 ALA CA C 61 55.500 55.500 54.565 0.935 18356 4119 1 5 . 1 1 61 61 ALA CB C 61 17.900 17.900 17.845 0.055 18356 4120 1 5 . 1 1 61 61 ALA H H 61 8.800 8.800 7.862 0.938 18356 4121 1 5 . 1 1 62 62 ALA N N 62 119.900 119.900 121.018 -1.118 18356 4122 1 5 . 1 1 62 62 ALA HA H 62 4.040 4.040 3.727 0.313 18356 4123 1 5 . 1 1 62 62 ALA C C 62 178.600 178.600 178.750 -0.150 18356 4124 1 5 . 1 1 62 62 ALA CA C 62 55.400 55.400 54.313 1.087 18356 4125 1 5 . 1 1 62 62 ALA CB C 62 19.700 19.700 18.068 1.632 18356 4126 1 5 . 1 1 62 62 ALA H H 62 8.760 8.760 8.157 0.603 18356 4127 1 5 . 1 1 63 63 PHE N N 63 120.400 120.400 116.141 4.259 18356 4128 1 5 . 1 1 63 63 PHE HA H 63 3.660 3.660 4.399 -0.739 18356 4129 1 5 . 1 1 63 63 PHE C C 63 177.300 177.300 177.735 -0.435 18356 4130 1 5 . 1 1 63 63 PHE CA C 63 62.200 62.200 60.946 1.254 18356 4131 1 5 . 1 1 63 63 PHE CB C 63 39.600 39.600 38.775 0.825 18356 4132 1 5 . 1 1 63 63 PHE H H 63 9.380 9.380 7.646 1.734 18356 4133 1 5 . 1 1 64 64 ASP N N 64 119.700 119.700 119.428 0.272 18356 4134 1 5 . 1 1 64 64 ASP HA H 64 4.410 4.410 4.408 0.002 18356 4135 1 5 . 1 1 64 64 ASP C C 64 180.200 180.200 178.150 2.050 18356 4136 1 5 . 1 1 64 64 ASP CA C 64 57.700 57.700 57.301 0.399 18356 4137 1 5 . 1 1 64 64 ASP CB C 64 39.600 39.600 40.221 -0.621 18356 4138 1 5 . 1 1 64 64 ASP H H 64 9.180 9.180 7.713 1.467 18356 4139 1 5 . 1 1 65 65 LYS N N 65 119.800 119.800 120.701 -0.901 18356 4140 1 5 . 1 1 65 65 LYS HA H 65 4.080 4.080 3.932 0.148 18356 4141 1 5 . 1 1 65 65 LYS C C 65 179.100 179.100 178.286 0.814 18356 4142 1 5 . 1 1 65 65 LYS CA C 65 59.600 59.600 58.572 1.028 18356 4143 1 5 . 1 1 65 65 LYS CB C 65 32.500 32.500 31.601 0.899 18356 4144 1 5 . 1 1 65 65 LYS H H 65 7.420 7.420 7.683 -0.263 18356 4145 1 5 . 1 1 66 66 PHE N N 66 123.400 123.400 116.608 6.792 18356 4146 1 5 . 1 1 66 66 PHE HA H 66 4.340 4.340 4.601 -0.261 18356 4147 1 5 . 1 1 66 66 PHE C C 66 175.900 175.900 178.838 -2.938 18356 4148 1 5 . 1 1 66 66 PHE CA C 66 59.900 59.900 59.544 0.356 18356 4149 1 5 . 1 1 66 66 PHE CB C 66 38.300 38.300 38.264 0.036 18356 4150 1 5 . 1 1 66 66 PHE H H 66 8.000 8.000 6.907 1.093 18356 4151 1 5 . 1 1 67 67 VAL N N 67 120.200 120.200 119.023 1.177 18356 4152 1 5 . 1 1 67 67 VAL HA H 67 2.600 2.600 3.826 -1.226 18356 4153 1 5 . 1 1 67 67 VAL C C 67 177.700 177.700 176.716 0.984 18356 4154 1 5 . 1 1 67 67 VAL CA C 67 67.100 67.100 64.935 2.165 18356 4155 1 5 . 1 1 67 67 VAL CB C 67 31.700 31.700 31.882 -0.182 18356 4156 1 5 . 1 1 67 67 VAL H H 67 8.500 8.500 7.663 0.837 18356 4157 1 5 . 1 1 68 68 GLU N N 68 118.300 118.300 117.806 0.494 18356 4158 1 5 . 1 1 68 68 GLU HA H 68 3.800 3.800 4.121 -0.321 18356 4159 1 5 . 1 1 68 68 GLU C C 68 178.800 178.800 177.725 1.075 18356 4160 1 5 . 1 1 68 68 GLU CA C 68 59.500 59.500 58.633 0.867 18356 4161 1 5 . 1 1 68 68 GLU CB C 68 29.400 29.400 29.048 0.352 18356 4162 1 5 . 1 1 68 68 GLU H H 68 7.510 7.510 7.612 -0.102 18356 4163 1 5 . 1 1 69 69 ASP N N 69 121.400 121.400 119.776 1.624 18356 4164 1 5 . 1 1 69 69 ASP HA H 69 4.360 4.360 4.541 -0.181 18356 4165 1 5 . 1 1 69 69 ASP C C 69 178.100 178.100 178.218 -0.118 18356 4166 1 5 . 1 1 69 69 ASP CA C 69 56.500 56.500 57.160 -0.660 18356 4167 1 5 . 1 1 69 69 ASP CB C 69 40.900 40.900 40.694 0.206 18356 4168 1 5 . 1 1 69 69 ASP H H 69 7.750 7.750 7.754 -0.004 18356 4169 1 5 . 1 1 70 70 VAL N N 70 117.600 117.600 118.691 -1.091 18356 4170 1 5 . 1 1 70 70 VAL HA H 70 3.050 3.050 3.673 -0.623 18356 4171 1 5 . 1 1 70 70 VAL C C 70 179.900 179.900 177.709 2.191 18356 4172 1 5 . 1 1 70 70 VAL CA C 70 67.500 67.500 66.777 0.723 18356 4173 1 5 . 1 1 70 70 VAL CB C 70 32.400 32.400 31.270 1.130 18356 4174 1 5 . 1 1 70 70 VAL H H 70 8.230 8.230 7.175 1.055 18356 4175 1 5 . 1 1 71 71 LYS N N 71 120.900 120.900 117.132 3.768 18356 4176 1 5 . 1 1 71 71 LYS HA H 71 3.450 3.450 4.089 -0.639 18356 4177 1 5 . 1 1 71 71 LYS C C 71 177.700 177.700 177.881 -0.181 18356 4178 1 5 . 1 1 71 71 LYS CA C 71 61.900 61.900 58.870 3.030 18356 4179 1 5 . 1 1 71 71 LYS CB C 71 32.400 32.400 31.444 0.956 18356 4180 1 5 . 1 1 71 71 LYS H H 71 8.900 8.900 8.277 0.623 18356 4181 1 5 . 1 1 72 72 SER N N 72 114.200 114.200 114.679 -0.479 18356 4182 1 5 . 1 1 72 72 SER HA H 72 4.340 4.340 4.528 -0.188 18356 4183 1 5 . 1 1 72 72 SER C C 72 178.300 178.300 177.441 0.859 18356 4184 1 5 . 1 1 72 72 SER CA C 72 61.500 61.500 59.773 1.727 18356 4185 1 5 . 1 1 72 72 SER CB C 72 63.000 63.000 62.943 0.057 18356 4186 1 5 . 1 1 72 72 SER H H 72 8.000 8.000 7.651 0.349 18356 4187 1 5 . 1 1 73 73 ARG N N 73 119.700 119.700 121.392 -1.692 18356 4188 1 5 . 1 1 73 73 ARG HA H 73 4.160 4.160 4.145 0.015 18356 4189 1 5 . 1 1 73 73 ARG C C 73 177.000 177.000 177.688 -0.688 18356 4190 1 5 . 1 1 73 73 ARG CA C 73 58.700 58.700 59.256 -0.556 18356 4191 1 5 . 1 1 73 73 ARG CB C 73 30.300 30.300 30.679 -0.379 18356 4192 1 5 . 1 1 73 73 ARG H H 73 8.430 8.430 7.917 0.513 18356 4193 1 5 . 1 1 74 74 THR N N 74 103.500 103.500 111.252 -7.752 18356 4194 1 5 . 1 1 74 74 THR HA H 74 4.210 4.210 4.501 -0.291 18356 4195 1 5 . 1 1 74 74 THR C C 74 173.500 173.500 173.574 -0.074 18356 4196 1 5 . 1 1 74 74 THR CA C 74 60.300 60.300 61.839 -1.539 18356 4197 1 5 . 1 1 74 74 THR CB C 74 70.100 70.100 68.377 1.723 18356 4198 1 5 . 1 1 74 74 THR H H 74 7.400 7.400 7.573 -0.173 18356 4199 1 5 . 1 1 75 75 ASP N N 75 121.300 121.300 120.960 0.340 18356 4200 1 5 . 1 1 75 75 ASP HA H 75 4.280 4.280 4.530 -0.250 18356 4201 1 5 . 1 1 75 75 ASP C C 75 176.500 176.500 176.279 0.221 18356 4202 1 5 . 1 1 75 75 ASP CA C 75 55.300 55.300 55.554 -0.254 18356 4203 1 5 . 1 1 75 75 ASP CB C 75 38.400 38.400 41.634 -3.234 18356 4204 1 5 . 1 1 75 75 ASP H H 75 7.900 7.900 7.974 -0.074 18356 4205 1 5 . 1 1 76 76 ASN N N 76 116.400 116.400 117.859 -1.459 18356 4206 1 5 . 1 1 76 76 ASN HA H 76 4.000 4.000 4.758 -0.758 18356 4207 1 5 . 1 1 76 76 ASN C C 76 173.600 173.600 175.554 -1.954 18356 4208 1 5 . 1 1 76 76 ASN CA C 76 54.000 54.000 52.772 1.228 18356 4209 1 5 . 1 1 76 76 ASN CB C 76 36.600 36.600 39.578 -2.978 18356 4210 1 5 . 1 1 76 76 ASN H H 76 9.070 9.070 8.122 0.948 18356 4211 1 5 . 1 1 77 77 LEU N N 77 112.300 112.300 119.879 -7.579 18356 4212 1 5 . 1 1 77 77 LEU HA H 77 3.670 3.670 4.486 -0.816 18356 4213 1 5 . 1 1 77 77 LEU C C 77 175.200 175.200 176.946 -1.746 18356 4214 1 5 . 1 1 77 77 LEU CA C 77 55.900 55.900 55.321 0.579 18356 4215 1 5 . 1 1 77 77 LEU CB C 77 37.900 37.900 42.258 -4.358 18356 4216 1 5 . 1 1 77 77 LEU H H 77 7.840 7.840 8.350 -0.510 18356 4217 1 5 . 1 1 78 78 THR N N 78 106.000 106.000 113.962 -7.962 18356 4218 1 5 . 1 1 78 78 THR HA H 78 4.220 4.220 4.491 -0.271 18356 4219 1 5 . 1 1 78 78 THR C C 78 172.200 172.200 172.805 -0.605 18356 4220 1 5 . 1 1 78 78 THR CA C 78 60.600 60.600 61.903 -1.303 18356 4221 1 5 . 1 1 78 78 THR CB C 78 69.300 69.300 68.780 0.520 18356 4222 1 5 . 1 1 78 78 THR H H 78 8.240 8.240 7.573 0.667 18356 4223 1 5 . 1 1 79 79 ASP N N 79 118.600 118.600 124.283 -5.683 18356 4224 1 5 . 1 1 79 79 ASP HA H 79 4.730 4.730 4.843 -0.113 18356 4225 1 5 . 1 1 79 79 ASP C C 79 173.000 173.000 173.959 -0.959 18356 4226 1 5 . 1 1 79 79 ASP CA C 79 51.500 51.500 52.793 -1.293 18356 4227 1 5 . 1 1 79 79 ASP CB C 79 44.300 44.300 43.302 0.998 18356 4228 1 5 . 1 1 79 79 ASP H H 79 7.490 7.490 7.994 -0.504 18356 4229 1 5 . 1 1 80 80 CYS N N 80 115.900 115.900 119.434 -3.534 18356 4230 1 5 . 1 1 80 80 CYS HA H 80 4.470 4.470 4.366 0.104 18356 4231 1 5 . 1 1 80 80 CYS C C 80 174.000 174.000 173.887 0.113 18356 4232 1 5 . 1 1 80 80 CYS CA C 80 56.300 56.300 58.192 -1.892 18356 4233 1 5 . 1 1 80 80 CYS CB C 80 29.500 29.500 28.017 1.483 18356 4234 1 5 . 1 1 80 80 CYS H H 80 8.480 8.480 8.454 0.026 18356 4235 1 5 . 1 1 81 81 ARG N N 81 115.600 115.600 124.157 -8.557 18356 4236 1 5 . 1 1 81 81 ARG HA H 81 4.680 4.680 4.901 -0.221 18356 4237 1 5 . 1 1 81 81 ARG C C 81 175.500 175.500 174.229 1.271 18356 4238 1 5 . 1 1 81 81 ARG CA C 81 54.200 54.200 54.309 -0.109 18356 4239 1 5 . 1 1 81 81 ARG CB C 81 39.000 39.000 34.282 4.718 18356 4240 1 5 . 1 1 81 81 ARG H H 81 8.380 8.380 7.900 0.480 18356 4241 1 5 . 1 1 82 82 TYR N N 82 114.200 114.200 122.388 -8.188 18356 4242 1 5 . 1 1 82 82 TYR HA H 82 5.780 5.780 4.765 1.015 18356 4243 1 5 . 1 1 82 82 TYR C C 82 175.200 175.200 174.255 0.945 18356 4244 1 5 . 1 1 82 82 TYR CA C 82 55.200 55.200 56.766 -1.566 18356 4245 1 5 . 1 1 82 82 TYR CB C 82 42.200 42.200 42.197 0.003 18356 4246 1 5 . 1 1 82 82 TYR H H 82 8.170 8.170 9.431 -1.261 18356 4247 1 5 . 1 1 83 83 ALA N N 83 121.300 121.300 125.194 -3.894 18356 4248 1 5 . 1 1 83 83 ALA HA H 83 5.730 5.730 5.034 0.696 18356 4249 1 5 . 1 1 83 83 ALA C C 83 175.900 175.900 174.626 1.274 18356 4250 1 5 . 1 1 83 83 ALA CA C 83 52.000 52.000 50.137 1.863 18356 4251 1 5 . 1 1 83 83 ALA CB C 83 24.300 24.300 22.942 1.357 18356 4252 1 5 . 1 1 83 83 ALA H H 83 8.780 8.780 8.895 -0.115 18356 4253 1 5 . 1 1 84 84 VAL N N 84 111.700 111.700 122.610 -10.910 18356 4254 1 5 . 1 1 84 84 VAL HA H 84 6.180 6.180 5.228 0.952 18356 4255 1 5 . 1 1 84 84 VAL C C 84 176.900 176.900 173.641 3.259 18356 4256 1 5 . 1 1 84 84 VAL CA C 84 58.800 58.800 60.541 -1.740 18356 4257 1 5 . 1 1 84 84 VAL CB C 84 35.600 35.600 35.467 0.133 18356 4258 1 5 . 1 1 84 84 VAL H H 84 9.150 9.150 8.138 1.012 18356 4259 1 5 . 1 1 85 85 PHE N N 85 121.600 121.600 123.410 -1.810 18356 4260 1 5 . 1 1 85 85 PHE HA H 85 4.710 4.710 5.220 -0.510 18356 4261 1 5 . 1 1 85 85 PHE C C 85 176.500 176.500 172.482 4.018 18356 4262 1 5 . 1 1 85 85 PHE CA C 85 57.200 57.200 56.513 0.688 18356 4263 1 5 . 1 1 85 85 PHE CB C 85 43.900 43.900 41.184 2.716 18356 4264 1 5 . 1 1 85 85 PHE H H 85 8.780 8.780 8.277 0.503 18356 4265 1 5 . 1 1 86 86 ASP N N 86 126.700 126.700 120.625 6.075 18356 4266 1 5 . 1 1 86 86 ASP HA H 86 4.830 4.830 4.999 -0.169 18356 4267 1 5 . 1 1 86 86 ASP C C 86 171.800 171.800 174.934 -3.134 18356 4268 1 5 . 1 1 86 86 ASP CA C 86 54.300 54.300 53.194 1.106 18356 4269 1 5 . 1 1 86 86 ASP CB C 86 40.300 40.300 43.232 -2.932 18356 4270 1 5 . 1 1 86 86 ASP H H 86 7.490 7.490 8.852 -1.362 18356 4271 1 5 . 1 1 87 87 PHE N N 87 135.000 135.000 127.440 7.560 18356 4272 1 5 . 1 1 87 87 PHE HA H 87 3.980 3.980 4.818 -0.838 18356 4273 1 5 . 1 1 87 87 PHE C C 87 173.600 173.600 173.970 -0.370 18356 4274 1 5 . 1 1 87 87 PHE CA C 87 59.700 59.700 56.550 3.150 18356 4275 1 5 . 1 1 87 87 PHE CB C 87 42.900 42.900 42.538 0.362 18356 4276 1 5 . 1 1 87 87 PHE H H 87 9.600 9.600 8.067 1.533 18356 4277 1 5 . 1 1 88 88 LYS N N 88 127.700 127.700 126.779 0.921 18356 4278 1 5 . 1 1 88 88 LYS HA H 88 5.260 5.260 4.556 0.704 18356 4279 1 5 . 1 1 88 88 LYS C C 88 176.200 176.200 175.100 1.100 18356 4280 1 5 . 1 1 88 88 LYS CA C 88 55.500 55.500 55.401 0.099 18356 4281 1 5 . 1 1 88 88 LYS CB C 88 33.100 33.100 32.802 0.298 18356 4282 1 5 . 1 1 88 88 LYS H H 88 7.550 7.550 7.729 -0.179 18356 4283 1 5 . 1 1 89 89 PHE N N 89 119.700 119.700 123.066 -3.366 18356 4284 1 5 . 1 1 89 89 PHE HA H 89 5.290 5.290 4.955 0.335 18356 4285 1 5 . 1 1 89 89 PHE C C 89 172.100 172.100 173.513 -1.413 18356 4286 1 5 . 1 1 89 89 PHE CA C 89 56.300 56.300 55.453 0.847 18356 4287 1 5 . 1 1 89 89 PHE CB C 89 40.200 40.200 41.405 -1.205 18356 4288 1 5 . 1 1 89 89 PHE H H 89 9.600 9.600 8.915 0.685 18356 4289 1 5 . 1 1 90 90 THR N N 90 111.800 111.800 112.293 -0.493 18356 4290 1 5 . 1 1 90 90 THR HA H 90 5.170 5.170 4.457 0.713 18356 4291 1 5 . 1 1 90 90 THR C C 90 174.100 174.100 173.395 0.705 18356 4292 1 5 . 1 1 90 90 THR CA C 90 60.500 60.500 60.950 -0.450 18356 4293 1 5 . 1 1 90 90 THR CB C 90 71.200 71.200 70.901 0.299 18356 4294 1 5 . 1 1 90 90 THR H H 90 8.170 8.170 8.439 -0.269 18356 4295 1 5 . 1 1 91 91 CYS N N 91 121.300 121.300 122.171 -0.871 18356 4296 1 5 . 1 1 91 91 CYS HA H 91 4.880 4.880 4.679 0.201 18356 4297 1 5 . 1 1 91 91 CYS C C 91 173.600 173.600 174.377 -0.777 18356 4298 1 5 . 1 1 91 91 CYS CA C 91 57.200 57.200 57.649 -0.449 18356 4299 1 5 . 1 1 91 91 CYS CB C 91 30.300 30.300 31.921 -1.621 18356 4300 1 5 . 1 1 91 91 CYS H H 91 8.810 8.810 8.335 0.475 18356 4301 1 5 . 1 1 92 92 SER N N 92 120.800 120.800 118.913 1.887 18356 4302 1 5 . 1 1 92 92 SER HA H 92 4.180 4.180 4.475 -0.295 18356 4303 1 5 . 1 1 92 92 SER C C 92 173.600 173.600 174.178 -0.578 18356 4304 1 5 . 1 1 92 92 SER CA C 92 58.300 58.300 58.073 0.227 18356 4305 1 5 . 1 1 92 92 SER CB C 92 64.000 64.000 63.310 0.690 18356 4306 1 5 . 1 1 92 92 SER H H 92 8.960 8.960 8.533 0.427 18356 4307 1 5 . 1 1 93 93 ARG N N 93 123.600 123.600 128.373 -4.773 18356 4308 1 5 . 1 1 93 93 ARG HA H 93 4.710 4.710 4.309 0.401 18356 4309 1 5 . 1 1 93 93 ARG C C 93 176.300 176.300 174.847 1.453 18356 4310 1 5 . 1 1 93 93 ARG CA C 93 54.800 54.800 55.966 -1.166 18356 4311 1 5 . 1 1 93 93 ARG CB C 93 32.800 32.800 28.914 3.886 18356 4312 1 5 . 1 1 93 93 ARG H H 93 8.140 8.140 8.761 -0.621 18356 4313 1 5 . 1 1 94 94 VAL N N 94 124.700 124.700 125.907 -1.207 18356 4314 1 5 . 1 1 94 94 VAL HA H 94 3.850 3.850 4.319 -0.469 18356 4315 1 5 . 1 1 94 94 VAL C C 94 177.400 177.400 175.273 2.127 18356 4316 1 5 . 1 1 94 94 VAL CA C 94 64.300 64.300 61.907 2.393 18356 4317 1 5 . 1 1 94 94 VAL CB C 94 31.900 31.900 33.545 -1.645 18356 4318 1 5 . 1 1 94 94 VAL H H 94 8.880 8.880 7.999 0.881 18356 4319 1 5 . 1 1 95 95 GLY N N 95 115.100 115.100 116.569 -1.469 18356 4320 1 5 . 1 1 95 95 GLY C C 95 174.100 174.100 173.414 0.686 18356 4321 1 5 . 1 1 95 95 GLY CA C 95 45.800 45.800 45.362 0.438 18356 4322 1 5 . 1 1 95 95 GLY H H 95 8.900 8.900 8.560 0.340 18356 4323 1 5 . 1 1 96 96 ALA N N 96 123.000 123.000 128.083 -5.083 18356 4324 1 5 . 1 1 96 96 ALA HA H 96 4.520 4.520 4.650 -0.130 18356 4325 1 5 . 1 1 96 96 ALA C C 96 177.500 177.500 176.284 1.216 18356 4326 1 5 . 1 1 96 96 ALA CA C 96 52.100 52.100 51.408 0.692 18356 4327 1 5 . 1 1 96 96 ALA CB C 96 20.300 20.300 19.305 0.995 18356 4328 1 5 . 1 1 96 96 ALA H H 96 8.070 8.070 8.343 -0.273 18356 4329 1 5 . 1 1 97 97 GLY N N 97 107.800 107.800 109.717 -1.917 18356 4330 1 5 . 1 1 97 97 GLY C C 97 174.000 174.000 172.502 1.498 18356 4331 1 5 . 1 1 97 97 GLY CA C 97 45.300 45.300 45.054 0.246 18356 4332 1 5 . 1 1 97 97 GLY H H 97 8.270 8.270 8.001 0.269 18356 4333 1 5 . 1 1 98 98 THR N N 98 115.600 115.600 113.349 2.251 18356 4334 1 5 . 1 1 98 98 THR HA H 98 4.720 4.720 4.307 0.413 18356 4335 1 5 . 1 1 98 98 THR C C 98 174.300 174.300 174.055 0.245 18356 4336 1 5 . 1 1 98 98 THR CA C 98 61.900 61.900 60.502 1.399 18356 4337 1 5 . 1 1 98 98 THR CB C 98 70.400 70.400 69.811 0.589 18356 4338 1 5 . 1 1 98 98 THR H H 98 8.330 8.330 8.234 0.096 18356 4339 1 5 . 1 1 99 99 SER N N 99 119.900 119.900 116.140 3.760 18356 4340 1 5 . 1 1 99 99 SER HA H 99 4.660 4.660 4.922 -0.262 18356 4341 1 5 . 1 1 99 99 SER C C 99 173.000 173.000 173.965 -0.965 18356 4342 1 5 . 1 1 99 99 SER CA C 99 57.700 57.700 56.523 1.177 18356 4343 1 5 . 1 1 99 99 SER CB C 99 65.300 65.300 65.257 0.043 18356 4344 1 5 . 1 1 99 99 SER H H 99 8.760 8.760 8.472 0.288 18356 4345 1 5 . 1 1 100 100 LYS N N 100 123.800 123.800 119.241 4.559 18356 4346 1 5 . 1 1 100 100 LYS HA H 100 4.260 4.260 4.099 0.161 18356 4347 1 5 . 1 1 100 100 LYS C C 100 175.600 175.600 175.531 0.069 18356 4348 1 5 . 1 1 100 100 LYS CA C 100 56.900 56.900 56.877 0.023 18356 4349 1 5 . 1 1 100 100 LYS CB C 100 33.000 33.000 31.535 1.465 18356 4350 1 5 . 1 1 100 100 LYS H H 100 8.280 8.280 8.286 -0.006 18356 4351 1 5 . 1 1 101 101 MET N N 101 123.200 123.200 123.674 -0.474 18356 4352 1 5 . 1 1 101 101 MET HA H 101 4.510 4.510 4.638 -0.128 18356 4353 1 5 . 1 1 101 101 MET C C 101 172.700 172.700 173.556 -0.856 18356 4354 1 5 . 1 1 101 101 MET CA C 101 54.600 54.600 54.130 0.470 18356 4355 1 5 . 1 1 101 101 MET CB C 101 35.900 35.900 38.116 -2.216 18356 4356 1 5 . 1 1 101 101 MET H H 101 8.910 8.910 7.551 1.359 18356 4357 1 5 . 1 1 102 102 ASP N N 102 119.000 119.000 119.153 -0.153 18356 4358 1 5 . 1 1 102 102 ASP HA H 102 5.690 5.690 5.359 0.331 18356 4359 1 5 . 1 1 102 102 ASP C C 102 175.600 175.600 175.381 0.219 18356 4360 1 5 . 1 1 102 102 ASP CA C 102 52.500 52.500 52.621 -0.121 18356 4361 1 5 . 1 1 102 102 ASP CB C 102 42.700 42.700 43.329 -0.629 18356 4362 1 5 . 1 1 102 102 ASP H H 102 8.030 8.030 8.381 -0.351 18356 4363 1 5 . 1 1 103 103 LYS N N 103 122.100 122.100 121.363 0.737 18356 4364 1 5 . 1 1 103 103 LYS HA H 103 4.810 4.810 4.601 0.209 18356 4365 1 5 . 1 1 103 103 LYS C C 103 174.400 174.400 175.512 -1.112 18356 4366 1 5 . 1 1 103 103 LYS CA C 103 53.400 53.400 54.526 -1.126 18356 4367 1 5 . 1 1 103 103 LYS CB C 103 36.500 36.500 35.566 0.934 18356 4368 1 5 . 1 1 103 103 LYS H H 103 9.340 9.340 8.454 0.886 18356 4369 1 5 . 1 1 104 104 ILE N N 104 123.500 123.500 128.162 -4.662 18356 4370 1 5 . 1 1 104 104 ILE HA H 104 3.780 3.780 4.364 -0.584 18356 4371 1 5 . 1 1 104 104 ILE C C 104 175.900 175.900 175.079 0.821 18356 4372 1 5 . 1 1 104 104 ILE CA C 104 61.700 61.700 61.716 -0.016 18356 4373 1 5 . 1 1 104 104 ILE CB C 104 37.700 37.700 38.644 -0.944 18356 4374 1 5 . 1 1 104 104 ILE H H 104 8.810 8.810 8.713 0.097 18356 4375 1 5 . 1 1 105 105 ILE N N 105 119.200 119.200 123.814 -4.614 18356 4376 1 5 . 1 1 105 105 ILE HA H 105 5.310 5.310 4.919 0.391 18356 4377 1 5 . 1 1 105 105 ILE C C 105 174.200 174.200 173.477 0.723 18356 4378 1 5 . 1 1 105 105 ILE CA C 105 59.700 59.700 58.549 1.151 18356 4379 1 5 . 1 1 105 105 ILE CB C 105 39.800 39.800 41.068 -1.268 18356 4380 1 5 . 1 1 105 105 ILE H H 105 8.130 8.130 8.604 -0.474 18356 4381 1 5 . 1 1 106 106 PHE N N 106 125.800 125.800 123.162 2.638 18356 4382 1 5 . 1 1 106 106 PHE HA H 106 5.680 5.680 5.234 0.446 18356 4383 1 5 . 1 1 106 106 PHE C C 106 173.500 173.500 173.730 -0.230 18356 4384 1 5 . 1 1 106 106 PHE CA C 106 56.000 56.000 55.841 0.159 18356 4385 1 5 . 1 1 106 106 PHE CB C 106 43.000 43.000 42.840 0.160 18356 4386 1 5 . 1 1 106 106 PHE H H 106 9.570 9.570 8.080 1.490 18356 4387 1 5 . 1 1 107 107 LEU N N 107 125.900 125.900 123.671 2.229 18356 4388 1 5 . 1 1 107 107 LEU HA H 107 5.300 5.300 5.516 -0.216 18356 4389 1 5 . 1 1 107 107 LEU C C 107 174.600 174.600 175.181 -0.581 18356 4390 1 5 . 1 1 107 107 LEU CA C 107 53.300 53.300 52.788 0.512 18356 4391 1 5 . 1 1 107 107 LEU CB C 107 44.400 44.400 44.780 -0.380 18356 4392 1 5 . 1 1 107 107 LEU H H 107 9.320 9.320 8.730 0.590 18356 4393 1 5 . 1 1 108 108 GLN N N 108 124.800 124.800 122.322 2.478 18356 4394 1 5 . 1 1 108 108 GLN HA H 108 4.670 4.670 4.429 0.241 18356 4395 1 5 . 1 1 108 108 GLN C C 108 173.900 173.900 175.103 -1.203 18356 4396 1 5 . 1 1 108 108 GLN CA C 108 55.500 55.500 55.593 -0.093 18356 4397 1 5 . 1 1 108 108 GLN CB C 108 30.200 30.200 30.432 -0.232 18356 4398 1 5 . 1 1 108 108 GLN H H 108 8.620 8.620 8.922 -0.302 18356 4399 1 5 . 1 1 109 109 ILE N N 109 128.400 128.400 125.413 2.987 18356 4400 1 5 . 1 1 109 109 ILE HA H 109 4.340 4.340 4.512 -0.172 18356 4401 1 5 . 1 1 109 109 ILE C C 109 173.800 173.800 174.581 -0.781 18356 4402 1 5 . 1 1 109 109 ILE CA C 109 61.500 61.500 58.839 2.661 18356 4403 1 5 . 1 1 109 109 ILE CB C 109 37.600 37.600 36.435 1.165 18356 4404 1 5 . 1 1 109 109 ILE H H 109 8.550 8.550 8.387 0.163 18356 4405 1 5 . 1 1 110 110 CYS N N 110 125.800 125.800 125.817 -0.017 18356 4406 1 5 . 1 1 110 110 CYS HA H 110 5.340 5.340 4.780 0.560 18356 4407 1 5 . 1 1 110 110 CYS C C 110 171.200 171.200 172.323 -1.123 18356 4408 1 5 . 1 1 110 110 CYS CA C 110 54.400 54.400 56.035 -1.635 18356 4409 1 5 . 1 1 110 110 CYS CB C 110 29.400 29.400 31.020 -1.620 18356 4410 1 5 . 1 1 110 110 CYS H H 110 8.330 8.330 8.188 0.141 18356 4411 1 5 . 1 1 111 111 PRO HA H 111 4.470 4.470 4.365 0.105 18356 4412 1 5 . 1 1 111 111 PRO CA C 111 59.500 59.500 62.836 -3.336 18356 4413 1 5 . 1 1 112 112 ASP N N 112 120.600 120.600 121.831 -1.231 18356 4414 1 5 . 1 1 112 112 ASP HA H 112 4.260 4.260 4.390 -0.130 18356 4415 1 5 . 1 1 112 112 ASP C C 112 177.400 177.400 178.118 -0.718 18356 4416 1 5 . 1 1 112 112 ASP CA C 112 57.700 57.700 56.750 0.950 18356 4417 1 5 . 1 1 112 112 ASP CB C 112 41.300 41.300 40.941 0.359 18356 4418 1 5 . 1 1 112 112 ASP H H 112 8.390 8.390 8.682 -0.292 18356 4419 1 5 . 1 1 113 113 GLY N N 113 103.400 103.400 106.023 -2.623 18356 4420 1 5 . 1 1 113 113 GLY C C 113 174.500 174.500 174.020 0.480 18356 4421 1 5 . 1 1 113 113 GLY CA C 113 45.500 45.500 44.175 1.325 18356 4422 1 5 . 1 1 113 113 GLY H H 113 8.520 8.520 8.277 0.243 18356 4423 1 5 . 1 1 114 114 ALA N N 114 122.000 122.000 123.709 -1.709 18356 4424 1 5 . 1 1 114 114 ALA HA H 114 4.360 4.360 4.458 -0.098 18356 4425 1 5 . 1 1 114 114 ALA C C 114 176.200 176.200 176.264 -0.064 18356 4426 1 5 . 1 1 114 114 ALA CA C 114 51.000 51.000 51.023 -0.023 18356 4427 1 5 . 1 1 114 114 ALA CB C 114 20.500 20.500 20.859 -0.359 18356 4428 1 5 . 1 1 114 114 ALA H H 114 7.560 7.560 7.155 0.405 18356 4429 1 5 . 1 1 115 115 SER N N 115 115.900 115.900 115.434 0.466 18356 4430 1 5 . 1 1 115 115 SER HA H 115 4.400 4.400 4.299 0.101 18356 4431 1 5 . 1 1 115 115 SER C C 115 175.600 175.600 176.006 -0.406 18356 4432 1 5 . 1 1 115 115 SER CA C 115 57.700 57.700 58.382 -0.682 18356 4433 1 5 . 1 1 115 115 SER CB C 115 64.400 64.400 63.916 0.484 18356 4434 1 5 . 1 1 115 115 SER H H 115 8.620 8.620 8.409 0.211 18356 4435 1 5 . 1 1 116 116 ILE N N 116 123.700 123.700 126.951 -3.251 18356 4436 1 5 . 1 1 116 116 ILE HA H 116 4.740 4.740 3.790 0.950 18356 4437 1 5 . 1 1 116 116 ILE C C 116 177.600 177.600 176.961 0.639 18356 4438 1 5 . 1 1 116 116 ILE CA C 116 61.900 61.900 64.492 -2.591 18356 4439 1 5 . 1 1 116 116 ILE CB C 116 37.800 37.800 38.053 -0.253 18356 4440 1 5 . 1 1 116 116 ILE H H 116 8.810 8.810 8.808 0.002 18356 4441 1 5 . 1 1 117 117 LYS N N 117 119.200 119.200 118.085 1.115 18356 4442 1 5 . 1 1 117 117 LYS HA H 117 4.080 4.080 4.079 0.001 18356 4443 1 5 . 1 1 117 117 LYS C C 117 179.400 179.400 178.727 0.673 18356 4444 1 5 . 1 1 117 117 LYS CA C 117 59.600 59.600 59.016 0.584 18356 4445 1 5 . 1 1 117 117 LYS CB C 117 32.700 32.700 31.216 1.484 18356 4446 1 5 . 1 1 117 117 LYS H H 117 8.140 8.140 8.424 -0.284 18356 4447 1 5 . 1 1 118 118 LYS N N 118 118.700 118.700 119.650 -0.950 18356 4448 1 5 . 1 1 118 118 LYS HA H 118 4.290 4.290 4.117 0.173 18356 4449 1 5 . 1 1 118 118 LYS C C 118 178.700 178.700 179.051 -0.351 18356 4450 1 5 . 1 1 118 118 LYS CA C 118 58.500 58.500 59.539 -1.039 18356 4451 1 5 . 1 1 118 118 LYS CB C 118 32.500 32.500 31.940 0.560 18356 4452 1 5 . 1 1 118 118 LYS H H 118 7.570 7.570 7.869 -0.299 18356 4453 1 5 . 1 1 119 119 LYS N N 119 118.900 118.900 117.879 1.021 18356 4454 1 5 . 1 1 119 119 LYS HA H 119 4.340 4.340 4.653 -0.313 18356 4455 1 5 . 1 1 119 119 LYS C C 119 179.600 179.600 178.885 0.715 18356 4456 1 5 . 1 1 119 119 LYS CA C 119 61.300 61.300 59.249 2.050 18356 4457 1 5 . 1 1 119 119 LYS CB C 119 32.300 32.300 32.095 0.205 18356 4458 1 5 . 1 1 119 119 LYS H H 119 8.450 8.450 7.796 0.654 18356 4459 1 5 . 1 1 120 120 MET N N 120 117.400 117.400 117.646 -0.246 18356 4460 1 5 . 1 1 120 120 MET HA H 120 4.290 4.290 4.335 -0.045 18356 4461 1 5 . 1 1 120 120 MET C C 120 179.500 179.500 178.002 1.498 18356 4462 1 5 . 1 1 120 120 MET CA C 120 59.100 59.100 58.935 0.165 18356 4463 1 5 . 1 1 120 120 MET CB C 120 32.400 32.400 33.509 -1.109 18356 4464 1 5 . 1 1 120 120 MET H H 120 8.420 8.420 7.617 0.803 18356 4465 1 5 . 1 1 121 121 VAL N N 121 121.800 121.800 119.361 2.439 18356 4466 1 5 . 1 1 121 121 VAL HA H 121 3.980 3.980 3.737 0.243 18356 4467 1 5 . 1 1 121 121 VAL C C 121 179.200 179.200 178.545 0.655 18356 4468 1 5 . 1 1 121 121 VAL CA C 121 66.200 66.200 66.722 -0.521 18356 4469 1 5 . 1 1 121 121 VAL CB C 121 32.300 32.300 31.317 0.983 18356 4470 1 5 . 1 1 121 121 VAL H H 121 8.000 8.000 8.483 -0.483 18356 4471 1 5 . 1 1 122 122 TYR N N 122 121.300 121.300 119.362 1.938 18356 4472 1 5 . 1 1 122 122 TYR HA H 122 4.230 4.230 4.450 -0.220 18356 4473 1 5 . 1 1 122 122 TYR C C 122 180.700 180.700 176.669 4.031 18356 4474 1 5 . 1 1 122 122 TYR CA C 122 61.400 61.400 60.000 1.400 18356 4475 1 5 . 1 1 122 122 TYR CB C 122 38.300 38.300 36.997 1.303 18356 4476 1 5 . 1 1 122 122 TYR H H 122 8.610 8.610 8.938 -0.328 18356 4477 1 5 . 1 1 123 123 ALA N N 123 124.000 124.000 123.164 0.836 18356 4478 1 5 . 1 1 123 123 ALA HA H 123 4.360 4.360 3.522 0.838 18356 4479 1 5 . 1 1 123 123 ALA C C 123 180.800 180.800 179.465 1.335 18356 4480 1 5 . 1 1 123 123 ALA CA C 123 55.800 55.800 54.855 0.945 18356 4481 1 5 . 1 1 123 123 ALA CB C 123 18.200 18.200 17.613 0.587 18356 4482 1 5 . 1 1 123 123 ALA H H 123 8.760 8.760 7.297 1.463 18356 4483 1 5 . 1 1 124 124 SER N N 124 113.200 113.200 112.368 0.832 18356 4484 1 5 . 1 1 124 124 SER HA H 124 4.340 4.340 4.142 0.198 18356 4485 1 5 . 1 1 124 124 SER C C 124 176.400 176.400 176.900 -0.500 18356 4486 1 5 . 1 1 124 124 SER CA C 124 61.500 61.500 60.916 0.584 18356 4487 1 5 . 1 1 124 124 SER CB C 124 63.300 63.300 63.067 0.233 18356 4488 1 5 . 1 1 124 124 SER H H 124 8.500 8.500 7.825 0.675 18356 4489 1 5 . 1 1 125 125 SER N N 125 115.200 115.200 118.778 -3.578 18356 4490 1 5 . 1 1 125 125 SER HA H 125 4.460 4.460 4.258 0.202 18356 4491 1 5 . 1 1 125 125 SER C C 125 173.100 173.100 175.799 -2.699 18356 4492 1 5 . 1 1 125 125 SER CA C 125 59.400 59.400 61.898 -2.498 18356 4493 1 5 . 1 1 125 125 SER CB C 125 63.400 63.400 63.318 0.082 18356 4494 1 5 . 1 1 125 125 SER H H 125 7.480 7.480 7.537 -0.057 18356 4495 1 5 . 1 1 126 126 ALA N N 126 122.600 122.600 123.783 -1.183 18356 4496 1 5 . 1 1 126 126 ALA HA H 126 3.780 3.780 4.049 -0.269 18356 4497 1 5 . 1 1 126 126 ALA C C 126 178.600 178.600 178.915 -0.315 18356 4498 1 5 . 1 1 126 126 ALA CA C 126 54.900 54.900 54.575 0.325 18356 4499 1 5 . 1 1 126 126 ALA CB C 126 18.700 18.700 18.113 0.587 18356 4500 1 5 . 1 1 126 126 ALA H H 126 7.100 7.100 8.339 -1.239 18356 4501 1 5 . 1 1 127 127 ALA N N 127 118.800 118.800 120.381 -1.581 18356 4502 1 5 . 1 1 127 127 ALA HA H 127 3.860 3.860 3.830 0.030 18356 4503 1 5 . 1 1 127 127 ALA C C 127 179.700 179.700 178.514 1.186 18356 4504 1 5 . 1 1 127 127 ALA CA C 127 55.200 55.200 55.128 0.072 18356 4505 1 5 . 1 1 127 127 ALA CB C 127 17.700 17.700 18.211 -0.511 18356 4506 1 5 . 1 1 127 127 ALA H H 127 8.480 8.480 7.882 0.598 18356 4507 1 5 . 1 1 128 128 ALA N N 128 120.700 120.700 120.630 0.070 18356 4508 1 5 . 1 1 128 128 ALA HA H 128 3.990 3.990 4.006 -0.016 18356 4509 1 5 . 1 1 128 128 ALA C C 128 180.600 180.600 178.994 1.606 18356 4510 1 5 . 1 1 128 128 ALA CA C 128 55.100 55.100 54.685 0.415 18356 4511 1 5 . 1 1 128 128 ALA CB C 128 17.900 17.900 18.686 -0.785 18356 4512 1 5 . 1 1 128 128 ALA H H 128 7.800 7.800 7.363 0.437 18356 4513 1 5 . 1 1 129 129 ILE N N 129 114.900 114.900 119.691 -4.791 18356 4514 1 5 . 1 1 129 129 ILE HA H 129 3.780 3.780 3.581 0.199 18356 4515 1 5 . 1 1 129 129 ILE C C 129 176.100 176.100 176.905 -0.805 18356 4516 1 5 . 1 1 129 129 ILE CA C 129 63.300 63.300 63.435 -0.135 18356 4517 1 5 . 1 1 129 129 ILE CB C 129 37.200 37.200 37.317 -0.117 18356 4518 1 5 . 1 1 129 129 ILE H H 129 7.180 7.180 7.350 -0.170 18356 4519 1 5 . 1 1 130 130 LYS N N 130 122.400 122.400 119.139 3.261 18356 4520 1 5 . 1 1 130 130 LYS HA H 130 3.870 3.870 3.511 0.359 18356 4521 1 5 . 1 1 130 130 LYS C C 130 178.400 178.400 178.381 0.019 18356 4522 1 5 . 1 1 130 130 LYS CA C 130 61.100 61.100 59.542 1.558 18356 4523 1 5 . 1 1 130 130 LYS CB C 130 31.500 31.500 31.909 -0.409 18356 4524 1 5 . 1 1 130 130 LYS H H 130 7.870 7.870 8.214 -0.344 18356 4525 1 5 . 1 1 131 131 THR N N 131 113.000 113.000 116.010 -3.010 18356 4526 1 5 . 1 1 131 131 THR HA H 131 3.870 3.870 4.022 -0.152 18356 4527 1 5 . 1 1 131 131 THR C C 131 176.300 176.300 176.928 -0.628 18356 4528 1 5 . 1 1 131 131 THR CA C 131 65.900 65.900 66.398 -0.498 18356 4529 1 5 . 1 1 131 131 THR CB C 131 68.700 68.700 67.984 0.716 18356 4530 1 5 . 1 1 131 131 THR H H 131 8.000 8.000 7.489 0.511 18356 4531 1 5 . 1 1 132 132 SER N N 132 117.300 117.300 116.123 1.177 18356 4532 1 5 . 1 1 132 132 SER HA H 132 4.100 4.100 4.212 -0.112 18356 4533 1 5 . 1 1 132 132 SER C C 132 174.900 174.900 175.192 -0.292 18356 4534 1 5 . 1 1 132 132 SER CA C 132 61.900 61.900 61.591 0.309 18356 4535 1 5 . 1 1 132 132 SER CB C 132 63.300 63.300 63.054 0.246 18356 4536 1 5 . 1 1 132 132 SER H H 132 7.290 7.290 7.599 -0.309 18356 4537 1 5 . 1 1 133 133 LEU N N 133 118.100 118.100 115.674 2.426 18356 4538 1 5 . 1 1 133 133 LEU HA H 133 3.700 3.700 4.443 -0.743 18356 4539 1 5 . 1 1 133 133 LEU C C 133 176.600 176.600 177.327 -0.727 18356 4540 1 5 . 1 1 133 133 LEU CA C 133 56.300 56.300 55.762 0.538 18356 4541 1 5 . 1 1 133 133 LEU CB C 133 40.400 40.400 41.873 -1.473 18356 4542 1 5 . 1 1 133 133 LEU H H 133 7.330 7.330 7.111 0.219 18356 4543 1 5 . 1 1 134 134 GLY N N 134 105.600 105.600 103.018 2.582 18356 4544 1 5 . 1 1 134 134 GLY C C 134 174.800 174.800 174.016 0.784 18356 4545 1 5 . 1 1 134 134 GLY CA C 134 45.300 45.300 45.293 0.007 18356 4546 1 5 . 1 1 134 134 GLY H H 134 7.420 7.420 8.232 -0.812 18356 4547 1 5 . 1 1 135 135 THR N N 135 116.600 116.600 115.021 1.579 18356 4548 1 5 . 1 1 135 135 THR HA H 135 3.870 3.870 3.619 0.251 18356 4549 1 5 . 1 1 135 135 THR C C 135 176.000 176.000 173.582 2.418 18356 4550 1 5 . 1 1 135 135 THR CA C 135 63.900 63.900 65.388 -1.488 18356 4551 1 5 . 1 1 135 135 THR CB C 135 68.600 68.600 67.911 0.689 18356 4552 1 5 . 1 1 135 135 THR H H 135 8.450 8.450 7.983 0.467 18356 4553 1 5 . 1 1 136 136 GLY N N 136 109.300 109.300 106.937 2.363 18356 4554 1 5 . 1 1 136 136 GLY C C 136 175.000 175.000 174.194 0.806 18356 4555 1 5 . 1 1 136 136 GLY CA C 136 45.700 45.700 45.049 0.651 18356 4556 1 5 . 1 1 136 136 GLY H H 136 8.720 8.720 7.990 0.730 18356 4557 1 5 . 1 1 137 137 LYS N N 137 118.500 118.500 119.821 -1.321 18356 4558 1 5 . 1 1 137 137 LYS HA H 137 4.500 4.500 4.332 0.168 18356 4559 1 5 . 1 1 137 137 LYS C C 137 176.200 176.200 176.247 -0.047 18356 4560 1 5 . 1 1 137 137 LYS CA C 137 56.300 56.300 57.174 -0.874 18356 4561 1 5 . 1 1 137 137 LYS CB C 137 34.100 34.100 32.647 1.453 18356 4562 1 5 . 1 1 137 137 LYS H H 137 8.110 8.110 8.232 -0.122 18356 4563 1 5 . 1 1 138 138 ILE N N 138 111.400 111.400 113.998 -2.598 18356 4564 1 5 . 1 1 138 138 ILE HA H 138 5.050 5.050 4.461 0.589 18356 4565 1 5 . 1 1 138 138 ILE C C 138 174.700 174.700 174.618 0.082 18356 4566 1 5 . 1 1 138 138 ILE CA C 138 59.500 59.500 58.962 0.538 18356 4567 1 5 . 1 1 138 138 ILE CB C 138 41.600 41.600 40.695 0.905 18356 4568 1 5 . 1 1 138 138 ILE H H 138 7.270 7.270 7.113 0.157 18356 4569 1 5 . 1 1 139 139 LEU N N 139 124.600 124.600 124.051 0.549 18356 4570 1 5 . 1 1 139 139 LEU HA H 139 4.690 4.690 4.664 0.026 18356 4571 1 5 . 1 1 139 139 LEU C C 139 175.600 175.600 175.782 -0.182 18356 4572 1 5 . 1 1 139 139 LEU CA C 139 54.200 54.200 53.799 0.401 18356 4573 1 5 . 1 1 139 139 LEU CB C 139 43.800 43.800 41.356 2.444 18356 4574 1 5 . 1 1 139 139 LEU H H 139 8.450 8.450 8.606 -0.156 18356 4575 1 5 . 1 1 140 140 GLN N N 140 123.500 123.500 124.651 -1.151 18356 4576 1 5 . 1 1 140 140 GLN HA H 140 5.350 5.350 5.417 -0.067 18356 4577 1 5 . 1 1 140 140 GLN C C 140 174.900 174.900 174.777 0.123 18356 4578 1 5 . 1 1 140 140 GLN CA C 140 55.800 55.800 54.602 1.198 18356 4579 1 5 . 1 1 140 140 GLN CB C 140 30.900 30.900 30.602 0.298 18356 4580 1 5 . 1 1 140 140 GLN H H 140 8.590 8.590 8.197 0.393 18356 4581 1 5 . 1 1 141 141 PHE N N 141 120.500 120.500 121.544 -1.044 18356 4582 1 5 . 1 1 141 141 PHE HA H 141 4.870 4.870 4.732 0.138 18356 4583 1 5 . 1 1 141 141 PHE C C 141 174.700 174.700 173.760 0.940 18356 4584 1 5 . 1 1 141 141 PHE CA C 141 57.300 57.300 57.645 -0.345 18356 4585 1 5 . 1 1 141 141 PHE CB C 141 42.800 42.800 44.168 -1.368 18356 4586 1 5 . 1 1 141 141 PHE H H 141 9.280 9.280 8.610 0.670 18356 4587 1 5 . 1 1 142 142 GLN N N 142 123.700 123.700 123.510 0.190 18356 4588 1 5 . 1 1 142 142 GLN HA H 142 4.880 4.880 4.819 0.061 18356 4589 1 5 . 1 1 142 142 GLN C C 142 174.900 174.900 175.107 -0.207 18356 4590 1 5 . 1 1 142 142 GLN CA C 142 55.500 55.500 55.084 0.416 18356 4591 1 5 . 1 1 142 142 GLN CB C 142 30.200 30.200 30.244 -0.044 18356 4592 1 5 . 1 1 142 142 GLN H H 142 9.080 9.080 8.738 0.342 18356 4593 1 5 . 1 1 143 143 VAL N N 143 120.900 120.900 122.788 -1.888 18356 4594 1 5 . 1 1 143 143 VAL HA H 143 4.600 4.600 4.576 0.024 18356 4595 1 5 . 1 1 143 143 VAL C C 143 174.800 174.800 174.669 0.131 18356 4596 1 5 . 1 1 143 143 VAL CA C 143 60.900 60.900 60.503 0.397 18356 4597 1 5 . 1 1 143 143 VAL CB C 143 35.700 35.700 33.459 2.241 18356 4598 1 5 . 1 1 143 143 VAL H H 143 8.560 8.560 8.893 -0.333 18356 4599 1 5 . 1 1 144 144 SER N N 144 120.500 120.500 120.699 -0.199 18356 4600 1 5 . 1 1 144 144 SER HA H 144 4.740 4.740 4.639 0.101 18356 4601 1 5 . 1 1 144 144 SER C C 144 173.200 173.200 175.026 -1.826 18356 4602 1 5 . 1 1 144 144 SER CA C 144 58.200 58.200 59.524 -1.324 18356 4603 1 5 . 1 1 144 144 SER CB C 144 65.600 65.600 64.194 1.406 18356 4604 1 5 . 1 1 144 144 SER H H 144 9.640 9.640 8.733 0.907 18356 4605 1 5 . 1 1 145 145 ASP N N 145 118.600 118.600 121.858 -3.258 18356 4606 1 5 . 1 1 145 145 ASP HA H 145 4.700 4.700 4.640 0.060 18356 4607 1 5 . 1 1 145 145 ASP C C 145 175.500 175.500 177.036 -1.536 18356 4608 1 5 . 1 1 145 145 ASP CA C 145 53.300 53.300 53.643 -0.343 18356 4609 1 5 . 1 1 145 145 ASP CB C 145 44.100 44.100 42.386 1.714 18356 4610 1 5 . 1 1 145 145 ASP H H 145 7.760 7.760 7.902 -0.142 18356 4611 1 5 . 1 1 146 146 GLU N N 146 119.900 119.900 122.932 -3.032 18356 4612 1 5 . 1 1 146 146 GLU HA H 146 3.780 3.780 4.054 -0.274 18356 4613 1 5 . 1 1 146 146 GLU C C 146 177.800 177.800 178.263 -0.463 18356 4614 1 5 . 1 1 146 146 GLU CA C 146 59.700 59.700 59.141 0.559 18356 4615 1 5 . 1 1 146 146 GLU CB C 146 29.800 29.800 29.778 0.022 18356 4616 1 5 . 1 1 146 146 GLU H H 146 8.950 8.950 8.850 0.100 18356 4617 1 5 . 1 1 147 147 SER N N 147 116.700 116.700 115.464 1.236 18356 4618 1 5 . 1 1 147 147 SER HA H 147 4.190 4.190 4.273 -0.083 18356 4619 1 5 . 1 1 147 147 SER C C 147 176.600 176.600 176.285 0.315 18356 4620 1 5 . 1 1 147 147 SER CA C 147 61.500 61.500 61.215 0.284 18356 4621 1 5 . 1 1 147 147 SER CB C 147 60.100 60.100 62.885 -2.785 18356 4622 1 5 . 1 1 147 147 SER H H 147 8.660 8.660 9.098 -0.438 18356 4623 1 5 . 1 1 148 148 GLU N N 148 120.300 120.300 121.053 -0.753 18356 4624 1 5 . 1 1 148 148 GLU HA H 148 4.160 4.160 4.112 0.048 18356 4625 1 5 . 1 1 148 148 GLU C C 148 176.200 176.200 176.585 -0.385 18356 4626 1 5 . 1 1 148 148 GLU CA C 148 57.600 57.600 57.428 0.172 18356 4627 1 5 . 1 1 148 148 GLU CB C 148 30.900 30.900 28.811 2.089 18356 4628 1 5 . 1 1 148 148 GLU H H 148 7.940 7.940 7.535 0.405 18356 4629 1 5 . 1 1 149 149 MET N N 149 116.000 116.000 116.183 -0.183 18356 4630 1 5 . 1 1 149 149 MET HA H 149 4.530 4.530 4.523 0.007 18356 4631 1 5 . 1 1 149 149 MET C C 149 173.000 173.000 175.880 -2.880 18356 4632 1 5 . 1 1 149 149 MET CA C 149 53.400 53.400 55.166 -1.766 18356 4633 1 5 . 1 1 149 149 MET CB C 149 32.900 32.900 33.092 -0.192 18356 4634 1 5 . 1 1 149 149 MET H H 149 7.500 7.500 7.333 0.167 18356 4635 1 5 . 1 1 150 150 SER N N 150 112.400 112.400 114.637 -2.237 18356 4636 1 5 . 1 1 150 150 SER HA H 150 4.710 4.710 4.478 0.232 18356 4637 1 5 . 1 1 150 150 SER C C 150 174.100 174.100 175.741 -1.641 18356 4638 1 5 . 1 1 150 150 SER CA C 150 56.900 56.900 56.387 0.513 18356 4639 1 5 . 1 1 150 150 SER CB C 150 65.300 65.300 65.248 0.052 18356 4640 1 5 . 1 1 150 150 SER H H 150 7.100 7.100 7.548 -0.448 18356 4641 1 5 . 1 1 151 151 HIS N N 151 125.700 125.700 123.649 2.051 18356 4642 1 5 . 1 1 151 151 HIS HA H 151 4.670 4.670 4.084 0.586 18356 4643 1 5 . 1 1 151 151 HIS C C 151 175.900 175.900 176.514 -0.614 18356 4644 1 5 . 1 1 151 151 HIS CA C 151 62.300 62.300 58.311 3.989 18356 4645 1 5 . 1 1 151 151 HIS CB C 151 31.900 31.900 28.679 3.221 18356 4646 1 5 . 1 1 151 151 HIS H H 151 9.510 9.510 8.721 0.789 18356 4647 1 5 . 1 1 152 152 LYS N N 152 115.700 115.700 120.627 -4.927 18356 4648 1 5 . 1 1 152 152 LYS HA H 152 3.690 3.690 3.680 0.010 18356 4649 1 5 . 1 1 152 152 LYS C C 152 178.700 178.700 178.762 -0.062 18356 4650 1 5 . 1 1 152 152 LYS CA C 152 59.200 59.200 59.024 0.176 18356 4651 1 5 . 1 1 152 152 LYS CB C 152 32.700 32.700 31.485 1.215 18356 4652 1 5 . 1 1 152 152 LYS H H 152 8.380 8.380 7.241 1.139 18356 4653 1 5 . 1 1 153 153 GLU N N 153 117.400 117.400 119.110 -1.710 18356 4654 1 5 . 1 1 153 153 GLU HA H 153 4.070 4.070 4.166 -0.096 18356 4655 1 5 . 1 1 153 153 GLU C C 153 179.100 179.100 178.579 0.521 18356 4656 1 5 . 1 1 153 153 GLU CA C 153 58.500 58.500 57.270 1.230 18356 4657 1 5 . 1 1 153 153 GLU CB C 153 29.300 29.300 29.513 -0.213 18356 4658 1 5 . 1 1 153 153 GLU H H 153 7.360 7.360 8.058 -0.698 18356 4659 1 5 . 1 1 154 154 LEU N N 154 121.200 121.200 122.243 -1.043 18356 4660 1 5 . 1 1 154 154 LEU HA H 154 3.530 3.530 3.909 -0.379 18356 4661 1 5 . 1 1 154 154 LEU C C 154 178.300 178.300 177.960 0.340 18356 4662 1 5 . 1 1 154 154 LEU CA C 154 57.300 57.300 58.203 -0.903 18356 4663 1 5 . 1 1 154 154 LEU CB C 154 40.500 40.500 41.941 -1.440 18356 4664 1 5 . 1 1 154 154 LEU H H 154 7.730 7.730 7.279 0.451 18356 4665 1 5 . 1 1 155 155 LEU N N 155 118.500 118.500 113.374 5.126 18356 4666 1 5 . 1 1 155 155 LEU HA H 155 3.410 3.410 4.202 -0.792 18356 4667 1 5 . 1 1 155 155 LEU C C 155 179.900 179.900 178.198 1.702 18356 4668 1 5 . 1 1 155 155 LEU CA C 155 57.600 57.600 56.898 0.702 18356 4669 1 5 . 1 1 155 155 LEU CB C 155 41.200 41.200 41.108 0.092 18356 4670 1 5 . 1 1 155 155 LEU H H 155 8.350 8.350 7.536 0.814 18356 4671 1 5 . 1 1 156 156 ASN N N 156 117.900 117.900 119.278 -1.378 18356 4672 1 5 . 1 1 156 156 ASN HA H 156 4.360 4.360 4.239 0.121 18356 4673 1 5 . 1 1 156 156 ASN C C 156 178.000 178.000 177.200 0.800 18356 4674 1 5 . 1 1 156 156 ASN CA C 156 56.300 56.300 56.839 -0.539 18356 4675 1 5 . 1 1 156 156 ASN CB C 156 38.400 38.400 38.551 -0.151 18356 4676 1 5 . 1 1 156 156 ASN H H 156 7.750 7.750 7.665 0.085 18356 4677 1 5 . 1 1 157 157 LYS N N 157 119.800 119.800 118.735 1.065 18356 4678 1 5 . 1 1 157 157 LYS HA H 157 4.080 4.080 4.160 -0.080 18356 4679 1 5 . 1 1 157 157 LYS C C 157 179.800 179.800 178.281 1.519 18356 4680 1 5 . 1 1 157 157 LYS CA C 157 59.100 59.100 58.746 0.354 18356 4681 1 5 . 1 1 157 157 LYS CB C 157 32.500 32.500 31.873 0.627 18356 4682 1 5 . 1 1 157 157 LYS H H 157 7.770 7.770 7.940 -0.170 18356 4683 1 5 . 1 1 158 158 LEU N N 158 120.900 120.900 121.374 -0.474 18356 4684 1 5 . 1 1 158 158 LEU HA H 158 3.950 3.950 4.260 -0.310 18356 4685 1 5 . 1 1 158 158 LEU C C 158 179.000 179.000 178.453 0.547 18356 4686 1 5 . 1 1 158 158 LEU CA C 158 57.800 57.800 57.012 0.788 18356 4687 1 5 . 1 1 158 158 LEU CB C 158 41.200 41.200 41.746 -0.546 18356 4688 1 5 . 1 1 158 158 LEU H H 158 8.200 8.200 7.309 0.891 18356 4689 1 5 . 1 1 159 159 GLY N N 159 106.500 106.500 106.223 0.277 18356 4690 1 5 . 1 1 159 159 GLY C C 159 176.300 176.300 176.324 -0.024 18356 4691 1 5 . 1 1 159 159 GLY CA C 159 46.900 46.900 47.365 -0.465 18356 4692 1 5 . 1 1 159 159 GLY H H 159 8.290 8.290 8.472 -0.182 18356 4693 1 5 . 1 1 160 160 GLU N N 160 120.700 120.700 119.780 0.920 18356 4694 1 5 . 1 1 160 160 GLU HA H 160 4.070 4.070 4.143 -0.073 18356 4695 1 5 . 1 1 160 160 GLU C C 160 177.800 177.800 177.631 0.169 18356 4696 1 5 . 1 1 160 160 GLU CA C 160 58.300 58.300 58.744 -0.444 18356 4697 1 5 . 1 1 160 160 GLU CB C 160 30.000 30.000 29.892 0.107 18356 4698 1 5 . 1 1 160 160 GLU H H 160 7.850 7.850 7.861 -0.011 18356 4699 1 5 . 1 1 161 161 LYS N N 161 118.100 118.100 117.653 0.447 18356 4700 1 5 . 1 1 161 161 LYS HA H 161 4.070 4.070 4.190 -0.120 18356 4701 1 5 . 1 1 161 161 LYS C C 161 177.600 177.600 179.448 -1.848 18356 4702 1 5 . 1 1 161 161 LYS CA C 161 57.800 57.800 57.902 -0.102 18356 4703 1 5 . 1 1 161 161 LYS CB C 161 33.200 33.200 32.357 0.843 18356 4704 1 5 . 1 1 161 161 LYS H H 161 7.660 7.660 7.688 -0.028 18356 4705 1 5 . 1 1 162 162 TYR N N 162 115.400 115.400 120.909 -5.509 18356 4706 1 5 . 1 1 162 162 TYR HA H 162 4.750 4.750 4.267 0.483 18356 4707 1 5 . 1 1 162 162 TYR C C 162 176.000 176.000 176.646 -0.646 18356 4708 1 5 . 1 1 162 162 TYR CA C 162 59.000 59.000 59.922 -0.922 18356 4709 1 5 . 1 1 162 162 TYR CB C 162 39.800 39.800 38.986 0.814 18356 4710 1 5 . 1 1 162 162 TYR H H 162 8.090 8.090 8.198 -0.108 18356 4711 1 5 . 1 1 163 163 GLY N N 163 109.000 109.000 105.647 3.353 18356 4712 1 5 . 1 1 163 163 GLY C C 163 173.500 173.500 173.869 -0.369 18356 4713 1 5 . 1 1 163 163 GLY CA C 163 45.500 45.500 44.331 1.169 18356 4714 1 5 . 1 1 163 163 GLY H H 163 8.090 8.090 7.801 0.289 18356 4715 1 5 . 1 1 164 164 ASP N N 164 120.100 120.100 120.819 -0.719 18356 4716 1 5 . 1 1 164 164 ASP HA H 164 4.640 4.640 4.567 0.073 18356 4717 1 5 . 1 1 164 164 ASP C C 164 175.300 175.300 175.791 -0.491 18356 4718 1 5 . 1 1 164 164 ASP CA C 164 54.600 54.600 55.042 -0.442 18356 4719 1 5 . 1 1 164 164 ASP CB C 164 41.700 41.700 42.054 -0.354 18356 4720 1 5 . 1 1 164 164 ASP H H 164 8.320 8.320 7.543 0.777 18356 4721 1 6 . 1 1 2 2 SER N N 2 115.100 115.100 117.781 -2.681 18356 4722 1 6 . 1 1 2 2 SER HA H 2 4.820 4.820 4.506 0.314 18356 4723 1 6 . 1 1 2 2 SER CA C 2 62.300 62.300 60.158 2.142 18356 4724 1 6 . 1 1 2 2 SER CB C 2 67.300 67.300 63.960 3.340 18356 4725 1 6 . 1 1 2 2 SER H H 2 8.350 8.350 9.062 -0.712 18356 4726 1 6 . 1 1 3 3 SER HA H 3 3.860 3.860 4.562 -0.702 18356 4727 1 6 . 1 1 3 3 SER CA C 3 55.800 55.800 59.054 -3.255 18356 4728 1 6 . 1 1 3 3 SER CB C 3 61.300 61.300 63.532 -2.232 18356 4729 1 6 . 1 1 4 4 GLY N N 4 110.700 110.700 108.590 2.110 18356 4730 1 6 . 1 1 4 4 GLY C C 4 173.400 173.400 174.487 -1.087 18356 4731 1 6 . 1 1 4 4 GLY CA C 4 45.100 45.100 45.507 -0.407 18356 4732 1 6 . 1 1 4 4 GLY H H 4 8.320 8.320 8.184 0.136 18356 4733 1 6 . 1 1 5 5 VAL N N 5 119.400 119.400 119.374 0.026 18356 4734 1 6 . 1 1 5 5 VAL HA H 5 4.200 4.200 3.972 0.228 18356 4735 1 6 . 1 1 5 5 VAL C C 5 175.300 175.300 175.629 -0.329 18356 4736 1 6 . 1 1 5 5 VAL CA C 5 61.700 61.700 62.611 -0.911 18356 4737 1 6 . 1 1 5 5 VAL CB C 5 33.100 33.100 32.498 0.602 18356 4738 1 6 . 1 1 5 5 VAL H H 5 7.810 7.810 7.644 0.166 18356 4739 1 6 . 1 1 6 6 MET N N 6 124.000 124.000 129.295 -5.295 18356 4740 1 6 . 1 1 6 6 MET HA H 6 4.650 4.650 4.648 0.002 18356 4741 1 6 . 1 1 6 6 MET C C 6 174.800 174.800 174.977 -0.177 18356 4742 1 6 . 1 1 6 6 MET CA C 6 54.200 54.200 54.655 -0.455 18356 4743 1 6 . 1 1 6 6 MET CB C 6 36.000 36.000 33.331 2.670 18356 4744 1 6 . 1 1 6 6 MET H H 6 8.180 8.180 8.853 -0.673 18356 4745 1 6 . 1 1 7 7 VAL N N 7 122.400 122.400 124.156 -1.756 18356 4746 1 6 . 1 1 7 7 VAL HA H 7 4.090 4.090 4.114 -0.024 18356 4747 1 6 . 1 1 7 7 VAL C C 7 175.500 175.500 174.705 0.795 18356 4748 1 6 . 1 1 7 7 VAL CA C 7 62.300 62.300 61.628 0.672 18356 4749 1 6 . 1 1 7 7 VAL CB C 7 32.500 32.500 33.212 -0.712 18356 4750 1 6 . 1 1 7 7 VAL H H 7 8.790 8.790 8.500 0.290 18356 4751 1 6 . 1 1 8 8 ASP N N 8 131.400 131.400 129.652 1.748 18356 4752 1 6 . 1 1 8 8 ASP HA H 8 4.710 4.710 4.760 -0.050 18356 4753 1 6 . 1 1 8 8 ASP C C 8 175.800 175.800 176.642 -0.842 18356 4754 1 6 . 1 1 8 8 ASP CA C 8 53.900 53.900 52.163 1.738 18356 4755 1 6 . 1 1 8 8 ASP CB C 8 44.800 44.800 42.354 2.446 18356 4756 1 6 . 1 1 8 8 ASP H H 8 8.800 8.800 8.505 0.295 18356 4757 1 6 . 1 1 9 9 PRO HA H 9 4.480 4.480 4.270 0.210 18356 4758 1 6 . 1 1 9 9 PRO CA C 9 63.000 63.000 64.031 -1.031 18356 4759 1 6 . 1 1 10 10 ASP N N 10 116.700 116.700 120.098 -3.398 18356 4760 1 6 . 1 1 10 10 ASP HA H 10 4.780 4.780 4.361 0.419 18356 4761 1 6 . 1 1 10 10 ASP C C 10 179.100 179.100 178.198 0.902 18356 4762 1 6 . 1 1 10 10 ASP CA C 10 56.200 56.200 57.511 -1.311 18356 4763 1 6 . 1 1 10 10 ASP CB C 10 40.700 40.700 40.852 -0.152 18356 4764 1 6 . 1 1 10 10 ASP H H 10 9.060 9.060 8.184 0.876 18356 4765 1 6 . 1 1 11 11 VAL N N 11 122.600 122.600 119.309 3.291 18356 4766 1 6 . 1 1 11 11 VAL HA H 11 3.630 3.630 3.118 0.512 18356 4767 1 6 . 1 1 11 11 VAL C C 11 176.900 176.900 177.601 -0.701 18356 4768 1 6 . 1 1 11 11 VAL CA C 11 67.400 67.400 66.946 0.454 18356 4769 1 6 . 1 1 11 11 VAL CB C 11 31.100 31.100 31.343 -0.243 18356 4770 1 6 . 1 1 11 11 VAL H H 11 8.510 8.510 7.388 1.122 18356 4771 1 6 . 1 1 12 12 GLN N N 12 117.400 117.400 117.270 0.130 18356 4772 1 6 . 1 1 12 12 GLN HA H 12 4.030 4.030 4.149 -0.119 18356 4773 1 6 . 1 1 12 12 GLN C C 12 178.800 178.800 178.725 0.075 18356 4774 1 6 . 1 1 12 12 GLN CA C 12 59.800 59.800 58.842 0.958 18356 4775 1 6 . 1 1 12 12 GLN CB C 12 29.000 29.000 28.431 0.569 18356 4776 1 6 . 1 1 12 12 GLN H H 12 7.740 7.740 7.659 0.081 18356 4777 1 6 . 1 1 13 13 THR N N 13 113.600 113.600 116.627 -3.027 18356 4778 1 6 . 1 1 13 13 THR HA H 13 4.020 4.020 4.024 -0.004 18356 4779 1 6 . 1 1 13 13 THR C C 13 177.600 177.600 176.983 0.617 18356 4780 1 6 . 1 1 13 13 THR CA C 13 66.100 66.100 66.562 -0.462 18356 4781 1 6 . 1 1 13 13 THR CB C 13 68.400 68.400 68.345 0.055 18356 4782 1 6 . 1 1 13 13 THR H H 13 7.910 7.910 7.649 0.261 18356 4783 1 6 . 1 1 14 14 SER N N 14 118.100 118.100 117.766 0.334 18356 4784 1 6 . 1 1 14 14 SER HA H 14 4.330 4.330 4.135 0.195 18356 4785 1 6 . 1 1 14 14 SER C C 14 175.900 175.900 176.444 -0.544 18356 4786 1 6 . 1 1 14 14 SER CA C 14 63.400 63.400 61.696 1.704 18356 4787 1 6 . 1 1 14 14 SER CB C 14 62.300 62.300 62.507 -0.207 18356 4788 1 6 . 1 1 14 14 SER H H 14 8.630 8.630 7.865 0.765 18356 4789 1 6 . 1 1 15 15 PHE N N 15 122.400 122.400 120.256 2.144 18356 4790 1 6 . 1 1 15 15 PHE HA H 15 4.260 4.260 4.411 -0.151 18356 4791 1 6 . 1 1 15 15 PHE C C 15 178.900 178.900 177.538 1.362 18356 4792 1 6 . 1 1 15 15 PHE CA C 15 62.200 62.200 60.887 1.313 18356 4793 1 6 . 1 1 15 15 PHE CB C 15 40.000 40.000 38.456 1.544 18356 4794 1 6 . 1 1 15 15 PHE H H 15 8.280 8.280 7.343 0.937 18356 4795 1 6 . 1 1 16 16 GLN N N 16 121.400 121.400 119.707 1.693 18356 4796 1 6 . 1 1 16 16 GLN HA H 16 3.970 3.970 4.065 -0.095 18356 4797 1 6 . 1 1 16 16 GLN C C 16 177.600 177.600 178.601 -1.001 18356 4798 1 6 . 1 1 16 16 GLN CA C 16 59.400 59.400 59.389 0.011 18356 4799 1 6 . 1 1 16 16 GLN CB C 16 28.100 28.100 28.659 -0.558 18356 4800 1 6 . 1 1 16 16 GLN H H 16 8.600 8.600 7.914 0.686 18356 4801 1 6 . 1 1 17 17 LYS N N 17 117.000 117.000 117.434 -0.434 18356 4802 1 6 . 1 1 17 17 LYS HA H 17 4.180 4.180 4.208 -0.028 18356 4803 1 6 . 1 1 17 17 LYS C C 17 175.200 175.200 177.499 -2.299 18356 4804 1 6 . 1 1 17 17 LYS CA C 17 58.800 58.800 58.722 0.078 18356 4805 1 6 . 1 1 17 17 LYS CB C 17 33.300 33.300 32.195 1.105 18356 4806 1 6 . 1 1 17 17 LYS H H 17 7.440 7.440 7.495 -0.055 18356 4807 1 6 . 1 1 18 18 LEU N N 18 118.900 118.900 121.025 -2.125 18356 4808 1 6 . 1 1 18 18 LEU HA H 18 4.440 4.440 4.802 -0.362 18356 4809 1 6 . 1 1 18 18 LEU C C 18 173.600 173.600 178.813 -5.213 18356 4810 1 6 . 1 1 18 18 LEU CA C 18 57.200 57.200 57.051 0.149 18356 4811 1 6 . 1 1 18 18 LEU CB C 18 44.200 44.200 42.838 1.362 18356 4812 1 6 . 1 1 18 18 LEU H H 18 7.510 7.510 7.622 -0.112 18356 4813 1 6 . 1 1 19 19 SER N N 19 110.200 110.200 114.338 -4.138 18356 4814 1 6 . 1 1 19 19 SER HA H 19 3.980 3.980 4.287 -0.307 18356 4815 1 6 . 1 1 19 19 SER C C 19 174.400 174.400 176.483 -2.083 18356 4816 1 6 . 1 1 19 19 SER CA C 19 59.500 59.500 61.433 -1.933 18356 4817 1 6 . 1 1 19 19 SER CB C 19 65.200 65.200 62.887 2.313 18356 4818 1 6 . 1 1 19 19 SER H H 19 7.860 7.860 8.620 -0.760 18356 4819 1 6 . 1 1 20 20 GLU N N 20 120.500 120.500 119.010 1.490 18356 4820 1 6 . 1 1 20 20 GLU HA H 20 4.530 4.530 4.536 -0.006 18356 4821 1 6 . 1 1 20 20 GLU C C 20 176.100 176.100 176.234 -0.134 18356 4822 1 6 . 1 1 20 20 GLU CA C 20 55.400 55.400 55.732 -0.332 18356 4823 1 6 . 1 1 20 20 GLU CB C 20 31.700 31.700 30.471 1.229 18356 4824 1 6 . 1 1 20 20 GLU H H 20 7.990 7.990 7.879 0.111 18356 4825 1 6 . 1 1 21 21 GLY N N 21 107.000 107.000 107.720 -0.720 18356 4826 1 6 . 1 1 21 21 GLY C C 21 175.400 175.400 172.924 2.476 18356 4827 1 6 . 1 1 21 21 GLY CA C 21 46.800 46.800 45.386 1.414 18356 4828 1 6 . 1 1 21 21 GLY H H 21 8.480 8.480 7.554 0.926 18356 4829 1 6 . 1 1 22 22 ARG N N 22 124.100 124.100 122.529 1.571 18356 4830 1 6 . 1 1 22 22 ARG HA H 22 4.130 4.130 4.946 -0.816 18356 4831 1 6 . 1 1 22 22 ARG C C 22 175.900 175.900 176.972 -1.072 18356 4832 1 6 . 1 1 22 22 ARG CA C 22 56.900 56.900 54.657 2.243 18356 4833 1 6 . 1 1 22 22 ARG CB C 22 29.900 29.900 30.058 -0.158 18356 4834 1 6 . 1 1 22 22 ARG H H 22 8.680 8.680 8.706 -0.026 18356 4835 1 6 . 1 1 23 23 LYS N N 23 117.800 117.800 119.076 -1.276 18356 4836 1 6 . 1 1 23 23 LYS HA H 23 3.950 3.950 4.132 -0.182 18356 4837 1 6 . 1 1 23 23 LYS C C 23 176.200 176.200 177.782 -1.582 18356 4838 1 6 . 1 1 23 23 LYS CA C 23 57.200 57.200 59.006 -1.806 18356 4839 1 6 . 1 1 23 23 LYS CB C 23 29.900 29.900 32.010 -2.110 18356 4840 1 6 . 1 1 23 23 LYS H H 23 8.130 8.130 8.270 -0.140 18356 4841 1 6 . 1 1 24 24 GLU N N 24 117.900 117.900 118.798 -0.898 18356 4842 1 6 . 1 1 24 24 GLU HA H 24 3.910 3.910 4.023 -0.113 18356 4843 1 6 . 1 1 24 24 GLU C C 24 177.500 177.500 176.734 0.766 18356 4844 1 6 . 1 1 24 24 GLU CA C 24 58.500 58.500 57.433 1.067 18356 4845 1 6 . 1 1 24 24 GLU CB C 24 30.900 30.900 29.411 1.489 18356 4846 1 6 . 1 1 24 24 GLU H H 24 8.170 8.170 8.591 -0.421 18356 4847 1 6 . 1 1 25 25 TYR N N 25 113.100 113.100 120.507 -7.407 18356 4848 1 6 . 1 1 25 25 TYR HA H 25 4.530 4.530 4.802 -0.272 18356 4849 1 6 . 1 1 25 25 TYR C C 25 173.600 173.600 175.662 -2.062 18356 4850 1 6 . 1 1 25 25 TYR CA C 25 55.300 55.300 56.610 -1.310 18356 4851 1 6 . 1 1 25 25 TYR CB C 25 40.200 40.200 38.201 1.999 18356 4852 1 6 . 1 1 25 25 TYR H H 25 6.950 6.950 7.844 -0.894 18356 4853 1 6 . 1 1 26 26 ARG N N 26 120.500 120.500 124.168 -3.668 18356 4854 1 6 . 1 1 26 26 ARG HA H 26 4.660 4.660 4.380 0.280 18356 4855 1 6 . 1 1 26 26 ARG C C 26 174.600 174.600 175.201 -0.601 18356 4856 1 6 . 1 1 26 26 ARG CA C 26 54.000 54.000 57.476 -3.476 18356 4857 1 6 . 1 1 26 26 ARG CB C 26 31.500 31.500 31.246 0.254 18356 4858 1 6 . 1 1 26 26 ARG H H 26 9.450 9.450 8.839 0.611 18356 4859 1 6 . 1 1 27 27 TYR N N 27 109.700 109.700 114.180 -4.480 18356 4860 1 6 . 1 1 27 27 TYR HA H 27 4.930 4.930 5.242 -0.312 18356 4861 1 6 . 1 1 27 27 TYR C C 27 172.700 172.700 173.210 -0.510 18356 4862 1 6 . 1 1 27 27 TYR CA C 27 56.200 56.200 55.807 0.393 18356 4863 1 6 . 1 1 27 27 TYR CB C 27 40.800 40.800 40.599 0.201 18356 4864 1 6 . 1 1 27 27 TYR H H 27 7.450 7.450 7.412 0.038 18356 4865 1 6 . 1 1 28 28 ILE N N 28 117.400 117.400 123.325 -5.925 18356 4866 1 6 . 1 1 28 28 ILE HA H 28 4.780 4.780 4.394 0.386 18356 4867 1 6 . 1 1 28 28 ILE C C 28 174.400 174.400 173.622 0.778 18356 4868 1 6 . 1 1 28 28 ILE CA C 28 60.200 60.200 59.244 0.956 18356 4869 1 6 . 1 1 28 28 ILE CB C 28 43.300 43.300 41.986 1.313 18356 4870 1 6 . 1 1 28 28 ILE H H 28 8.750 8.750 8.725 0.025 18356 4871 1 6 . 1 1 29 29 ILE N N 29 125.100 125.100 123.317 1.783 18356 4872 1 6 . 1 1 29 29 ILE HA H 29 4.670 4.670 5.053 -0.383 18356 4873 1 6 . 1 1 29 29 ILE C C 29 174.600 174.600 173.486 1.114 18356 4874 1 6 . 1 1 29 29 ILE CA C 29 60.800 60.800 59.834 0.966 18356 4875 1 6 . 1 1 29 29 ILE CB C 29 40.500 40.500 41.696 -1.196 18356 4876 1 6 . 1 1 29 29 ILE H H 29 9.180 9.180 7.848 1.332 18356 4877 1 6 . 1 1 30 30 PHE N N 30 126.100 126.100 122.209 3.891 18356 4878 1 6 . 1 1 30 30 PHE HA H 30 5.760 5.760 5.451 0.309 18356 4879 1 6 . 1 1 30 30 PHE C C 30 174.100 174.100 174.270 -0.170 18356 4880 1 6 . 1 1 30 30 PHE CA C 30 55.900 55.900 56.586 -0.685 18356 4881 1 6 . 1 1 30 30 PHE CB C 30 42.300 42.300 44.073 -1.773 18356 4882 1 6 . 1 1 30 30 PHE H H 30 9.650 9.650 8.775 0.875 18356 4883 1 6 . 1 1 31 31 LYS N N 31 118.900 118.900 119.608 -0.708 18356 4884 1 6 . 1 1 31 31 LYS HA H 31 5.320 5.320 5.117 0.203 18356 4885 1 6 . 1 1 31 31 LYS C C 31 173.000 173.000 174.826 -1.826 18356 4886 1 6 . 1 1 31 31 LYS CA C 31 53.800 53.800 54.606 -0.806 18356 4887 1 6 . 1 1 31 31 LYS CB C 31 38.100 38.100 35.756 2.344 18356 4888 1 6 . 1 1 31 31 LYS H H 31 8.990 8.990 9.355 -0.365 18356 4889 1 6 . 1 1 32 32 ILE N N 32 120.500 120.500 121.767 -1.267 18356 4890 1 6 . 1 1 32 32 ILE HA H 32 4.780 4.780 4.458 0.322 18356 4891 1 6 . 1 1 32 32 ILE C C 32 175.200 175.200 175.443 -0.243 18356 4892 1 6 . 1 1 32 32 ILE CA C 32 60.700 60.700 60.846 -0.146 18356 4893 1 6 . 1 1 32 32 ILE CB C 32 41.300 41.300 39.356 1.944 18356 4894 1 6 . 1 1 32 32 ILE H H 32 8.420 8.420 8.660 -0.240 18356 4895 1 6 . 1 1 33 33 ASP N N 33 130.100 130.100 127.452 2.648 18356 4896 1 6 . 1 1 33 33 ASP HA H 33 4.880 4.880 4.721 0.159 18356 4897 1 6 . 1 1 33 33 ASP C C 33 175.300 175.300 176.322 -1.022 18356 4898 1 6 . 1 1 33 33 ASP CA C 33 53.500 53.500 53.623 -0.123 18356 4899 1 6 . 1 1 33 33 ASP CB C 33 44.500 44.500 43.099 1.401 18356 4900 1 6 . 1 1 33 33 ASP H H 33 9.270 9.270 7.939 1.331 18356 4901 1 6 . 1 1 34 34 GLU N N 34 123.600 123.600 123.467 0.133 18356 4902 1 6 . 1 1 34 34 GLU HA H 34 3.730 3.730 4.205 -0.475 18356 4903 1 6 . 1 1 34 34 GLU C C 34 175.000 175.000 177.361 -2.361 18356 4904 1 6 . 1 1 34 34 GLU CA C 34 58.200 58.200 58.441 -0.241 18356 4905 1 6 . 1 1 34 34 GLU CB C 34 27.500 27.500 29.690 -2.190 18356 4906 1 6 . 1 1 34 34 GLU H H 34 9.040 9.040 8.715 0.325 18356 4907 1 6 . 1 1 35 35 ASN N N 35 114.200 114.200 117.813 -3.613 18356 4908 1 6 . 1 1 35 35 ASN HA H 35 4.380 4.380 4.623 -0.243 18356 4909 1 6 . 1 1 35 35 ASN C C 35 173.500 173.500 175.478 -1.978 18356 4910 1 6 . 1 1 35 35 ASN CA C 35 53.700 53.700 54.578 -0.878 18356 4911 1 6 . 1 1 35 35 ASN CB C 35 38.500 38.500 39.899 -1.399 18356 4912 1 6 . 1 1 35 35 ASN H H 35 8.570 8.570 8.699 -0.129 18356 4913 1 6 . 1 1 36 36 LYS N N 36 118.400 118.400 119.587 -1.187 18356 4914 1 6 . 1 1 36 36 LYS HA H 36 5.340 5.340 4.577 0.763 18356 4915 1 6 . 1 1 36 36 LYS C C 36 174.900 174.900 176.179 -1.279 18356 4916 1 6 . 1 1 36 36 LYS CA C 36 54.500 54.500 54.488 0.012 18356 4917 1 6 . 1 1 36 36 LYS CB C 36 36.100 36.100 34.625 1.475 18356 4918 1 6 . 1 1 36 36 LYS H H 36 7.750 7.750 8.081 -0.331 18356 4919 1 6 . 1 1 37 37 VAL N N 37 122.900 122.900 120.028 2.872 18356 4920 1 6 . 1 1 37 37 VAL HA H 37 4.550 4.550 4.286 0.264 18356 4921 1 6 . 1 1 37 37 VAL C C 37 174.600 174.600 174.411 0.189 18356 4922 1 6 . 1 1 37 37 VAL CA C 37 62.000 62.000 61.936 0.064 18356 4923 1 6 . 1 1 37 37 VAL CB C 37 32.300 32.300 30.409 1.891 18356 4924 1 6 . 1 1 37 37 VAL H H 37 8.790 8.790 8.768 0.022 18356 4925 1 6 . 1 1 38 38 ILE N N 38 119.600 119.600 123.946 -4.346 18356 4926 1 6 . 1 1 38 38 ILE HA H 38 4.880 4.880 5.118 -0.238 18356 4927 1 6 . 1 1 38 38 ILE C C 38 176.200 176.200 175.591 0.609 18356 4928 1 6 . 1 1 38 38 ILE CA C 38 59.300 59.300 58.162 1.138 18356 4929 1 6 . 1 1 38 38 ILE CB C 38 42.800 42.800 42.487 0.313 18356 4930 1 6 . 1 1 38 38 ILE H H 38 9.230 9.230 8.275 0.955 18356 4931 1 6 . 1 1 39 39 VAL N N 39 121.300 121.300 126.743 -5.443 18356 4932 1 6 . 1 1 39 39 VAL HA H 39 3.850 3.850 4.697 -0.847 18356 4933 1 6 . 1 1 39 39 VAL C C 39 175.300 175.300 175.733 -0.433 18356 4934 1 6 . 1 1 39 39 VAL CA C 39 63.900 63.900 62.096 1.804 18356 4935 1 6 . 1 1 39 39 VAL CB C 39 32.100 32.100 31.596 0.504 18356 4936 1 6 . 1 1 39 39 VAL H H 39 9.070 9.070 8.138 0.932 18356 4937 1 6 . 1 1 40 40 GLU N N 40 131.200 131.200 126.796 4.404 18356 4938 1 6 . 1 1 40 40 GLU HA H 40 4.270 4.270 4.866 -0.596 18356 4939 1 6 . 1 1 40 40 GLU C C 40 176.000 176.000 174.479 1.521 18356 4940 1 6 . 1 1 40 40 GLU CA C 40 57.200 57.200 54.062 3.138 18356 4941 1 6 . 1 1 40 40 GLU CB C 40 32.300 32.300 33.224 -0.924 18356 4942 1 6 . 1 1 40 40 GLU H H 40 9.230 9.230 8.408 0.822 18356 4943 1 6 . 1 1 41 41 ALA N N 41 118.100 118.100 124.503 -6.403 18356 4944 1 6 . 1 1 41 41 ALA HA H 41 4.440 4.440 4.492 -0.052 18356 4945 1 6 . 1 1 41 41 ALA C C 41 173.300 173.300 176.351 -3.051 18356 4946 1 6 . 1 1 41 41 ALA CA C 41 52.000 52.000 50.857 1.143 18356 4947 1 6 . 1 1 41 41 ALA CB C 41 21.800 21.800 19.086 2.714 18356 4948 1 6 . 1 1 41 41 ALA H H 41 7.670 7.670 8.351 -0.681 18356 4949 1 6 . 1 1 42 42 ALA N N 42 127.600 127.600 127.378 0.222 18356 4950 1 6 . 1 1 42 42 ALA HA H 42 4.520 4.520 4.671 -0.151 18356 4951 1 6 . 1 1 42 42 ALA C C 42 174.900 174.900 176.204 -1.304 18356 4952 1 6 . 1 1 42 42 ALA CA C 42 51.700 51.700 50.676 1.024 18356 4953 1 6 . 1 1 42 42 ALA CB C 42 19.100 19.100 21.180 -2.080 18356 4954 1 6 . 1 1 42 42 ALA H H 42 8.480 8.480 8.181 0.299 18356 4955 1 6 . 1 1 43 43 VAL N N 43 124.900 124.900 117.852 7.048 18356 4956 1 6 . 1 1 43 43 VAL HA H 43 4.350 4.350 4.281 0.069 18356 4957 1 6 . 1 1 43 43 VAL C C 43 176.100 176.100 175.554 0.546 18356 4958 1 6 . 1 1 43 43 VAL CA C 43 62.100 62.100 61.127 0.973 18356 4959 1 6 . 1 1 43 43 VAL CB C 43 34.300 34.300 32.148 2.152 18356 4960 1 6 . 1 1 43 43 VAL H H 43 7.820 7.820 8.197 -0.377 18356 4961 1 6 . 1 1 44 44 THR N N 44 119.400 119.400 116.108 3.292 18356 4962 1 6 . 1 1 44 44 THR HA H 44 4.800 4.800 4.773 0.027 18356 4963 1 6 . 1 1 44 44 THR C C 44 174.300 174.300 176.024 -1.724 18356 4964 1 6 . 1 1 44 44 THR CA C 44 60.300 60.300 61.178 -0.878 18356 4965 1 6 . 1 1 44 44 THR CB C 44 71.200 71.200 71.229 -0.029 18356 4966 1 6 . 1 1 44 44 THR H H 44 8.670 8.670 8.131 0.539 18356 4967 1 6 . 1 1 45 45 GLN N N 45 119.800 119.800 120.727 -0.927 18356 4968 1 6 . 1 1 45 45 GLN HA H 45 4.010 4.010 4.185 -0.175 18356 4969 1 6 . 1 1 45 45 GLN C C 45 179.600 179.600 177.121 2.479 18356 4970 1 6 . 1 1 45 45 GLN CA C 45 59.000 59.000 58.784 0.216 18356 4971 1 6 . 1 1 45 45 GLN CB C 45 27.600 27.600 28.522 -0.922 18356 4972 1 6 . 1 1 45 45 GLN H H 45 8.660 8.660 8.955 -0.295 18356 4973 1 6 . 1 1 46 46 ASP N N 46 117.300 117.300 118.890 -1.590 18356 4974 1 6 . 1 1 46 46 ASP HA H 46 4.390 4.390 4.327 0.063 18356 4975 1 6 . 1 1 46 46 ASP C C 46 178.900 178.900 177.277 1.623 18356 4976 1 6 . 1 1 46 46 ASP CA C 46 57.100 57.100 56.670 0.430 18356 4977 1 6 . 1 1 46 46 ASP CB C 46 40.800 40.800 40.035 0.765 18356 4978 1 6 . 1 1 46 46 ASP H H 46 8.430 8.430 8.632 -0.202 18356 4979 1 6 . 1 1 47 47 GLN N N 47 118.900 118.900 117.919 0.981 18356 4980 1 6 . 1 1 47 47 GLN HA H 47 4.030 4.030 4.247 -0.217 18356 4981 1 6 . 1 1 47 47 GLN C C 47 178.000 178.000 177.695 0.305 18356 4982 1 6 . 1 1 47 47 GLN CA C 47 57.800 57.800 58.317 -0.517 18356 4983 1 6 . 1 1 47 47 GLN CB C 47 29.100 29.100 28.679 0.421 18356 4984 1 6 . 1 1 47 47 GLN H H 47 7.830 7.830 7.796 0.034 18356 4985 1 6 . 1 1 48 48 LEU N N 48 118.100 118.100 113.328 4.772 18356 4986 1 6 . 1 1 48 48 LEU HA H 48 4.180 4.180 4.699 -0.519 18356 4987 1 6 . 1 1 48 48 LEU C C 48 177.600 177.600 177.966 -0.366 18356 4988 1 6 . 1 1 48 48 LEU CA C 48 56.300 56.300 55.173 1.127 18356 4989 1 6 . 1 1 48 48 LEU CB C 48 43.100 43.100 41.750 1.350 18356 4990 1 6 . 1 1 48 48 LEU H H 48 7.560 7.560 7.446 0.114 18356 4991 1 6 . 1 1 49 49 GLY N N 49 105.600 105.600 109.297 -3.697 18356 4992 1 6 . 1 1 49 49 GLY C C 49 174.700 174.700 174.488 0.212 18356 4993 1 6 . 1 1 49 49 GLY CA C 49 47.000 47.000 45.921 1.079 18356 4994 1 6 . 1 1 49 49 GLY H H 49 7.570 7.570 7.872 -0.302 18356 4995 1 6 . 1 1 50 50 ILE N N 50 117.700 117.700 120.111 -2.411 18356 4996 1 6 . 1 1 50 50 ILE HA H 50 4.340 4.340 4.411 -0.071 18356 4997 1 6 . 1 1 50 50 ILE C C 50 176.500 176.500 175.253 1.247 18356 4998 1 6 . 1 1 50 50 ILE CA C 50 59.900 59.900 59.273 0.628 18356 4999 1 6 . 1 1 50 50 ILE CB C 50 38.900 38.900 41.189 -2.289 18356 5000 1 6 . 1 1 50 50 ILE H H 50 7.940 7.940 8.119 -0.179 18356 5001 1 6 . 1 1 51 51 THR N N 51 117.500 117.500 113.086 4.414 18356 5002 1 6 . 1 1 51 51 THR HA H 51 4.420 4.420 4.255 0.165 18356 5003 1 6 . 1 1 51 51 THR C C 51 174.900 174.900 176.192 -1.292 18356 5004 1 6 . 1 1 51 51 THR CA C 51 61.700 61.700 63.105 -1.405 18356 5005 1 6 . 1 1 51 51 THR CB C 51 69.900 69.900 68.979 0.921 18356 5006 1 6 . 1 1 51 51 THR H H 51 8.480 8.480 8.635 -0.155 18356 5007 1 6 . 1 1 52 52 GLY N N 52 111.200 111.200 109.809 1.391 18356 5008 1 6 . 1 1 52 52 GLY C C 52 172.700 172.700 173.153 -0.453 18356 5009 1 6 . 1 1 52 52 GLY CA C 52 44.600 44.600 45.629 -1.029 18356 5010 1 6 . 1 1 52 52 GLY H H 52 8.080 8.080 8.234 -0.154 18356 5011 1 6 . 1 1 53 53 ASP N N 53 120.800 120.800 124.405 -3.605 18356 5012 1 6 . 1 1 53 53 ASP HA H 53 4.660 4.660 4.778 -0.118 18356 5013 1 6 . 1 1 53 53 ASP C C 53 177.800 177.800 175.024 2.776 18356 5014 1 6 . 1 1 53 53 ASP CA C 53 53.900 53.900 54.012 -0.112 18356 5015 1 6 . 1 1 53 53 ASP CB C 53 42.700 42.700 40.259 2.441 18356 5016 1 6 . 1 1 53 53 ASP H H 53 8.490 8.490 7.947 0.543 18356 5017 1 6 . 1 1 54 54 ASP N N 54 124.100 124.100 121.950 2.150 18356 5018 1 6 . 1 1 54 54 ASP HA H 54 4.630 4.630 4.565 0.065 18356 5019 1 6 . 1 1 54 54 ASP C C 54 177.100 177.100 176.858 0.242 18356 5020 1 6 . 1 1 54 54 ASP CA C 54 56.600 56.600 54.658 1.942 18356 5021 1 6 . 1 1 54 54 ASP CB C 54 42.800 42.800 41.939 0.861 18356 5022 1 6 . 1 1 54 54 ASP H H 54 8.500 8.500 8.072 0.428 18356 5023 1 6 . 1 1 55 55 TYR N N 55 114.900 114.900 118.954 -4.054 18356 5024 1 6 . 1 1 55 55 TYR HA H 55 4.560 4.560 4.267 0.293 18356 5025 1 6 . 1 1 55 55 TYR C C 55 178.900 178.900 176.747 2.153 18356 5026 1 6 . 1 1 55 55 TYR CA C 55 62.400 62.400 59.208 3.192 18356 5027 1 6 . 1 1 55 55 TYR CB C 55 37.300 37.300 37.245 0.055 18356 5028 1 6 . 1 1 55 55 TYR H H 55 8.350 8.350 8.462 -0.112 18356 5029 1 6 . 1 1 56 56 ASP N N 56 119.600 119.600 117.997 1.603 18356 5030 1 6 . 1 1 56 56 ASP HA H 56 4.560 4.560 4.285 0.275 18356 5031 1 6 . 1 1 56 56 ASP C C 56 177.300 177.300 176.713 0.587 18356 5032 1 6 . 1 1 56 56 ASP CA C 56 57.200 57.200 55.511 1.689 18356 5033 1 6 . 1 1 56 56 ASP CB C 56 40.600 40.600 40.247 0.353 18356 5034 1 6 . 1 1 56 56 ASP H H 56 8.320 8.320 7.952 0.368 18356 5035 1 6 . 1 1 57 57 ASP N N 57 116.600 116.600 118.834 -2.234 18356 5036 1 6 . 1 1 57 57 ASP HA H 57 4.940 4.940 4.583 0.357 18356 5037 1 6 . 1 1 57 57 ASP C C 57 178.100 178.100 177.572 0.528 18356 5038 1 6 . 1 1 57 57 ASP CA C 57 52.400 52.400 55.332 -2.932 18356 5039 1 6 . 1 1 57 57 ASP CB C 57 41.100 41.100 41.919 -0.819 18356 5040 1 6 . 1 1 57 57 ASP H H 57 7.740 7.740 7.420 0.320 18356 5041 1 6 . 1 1 58 58 SER N N 58 117.600 117.600 112.637 4.963 18356 5042 1 6 . 1 1 58 58 SER HA H 58 4.800 4.800 4.570 0.230 18356 5043 1 6 . 1 1 58 58 SER C C 58 174.600 174.600 175.700 -1.100 18356 5044 1 6 . 1 1 58 58 SER CA C 58 60.200 60.200 58.644 1.556 18356 5045 1 6 . 1 1 58 58 SER CB C 58 63.000 63.000 64.394 -1.395 18356 5046 1 6 . 1 1 58 58 SER H H 58 8.130 8.130 7.872 0.258 18356 5047 1 6 . 1 1 59 59 SER N N 59 105.400 105.400 115.836 -10.436 18356 5048 1 6 . 1 1 59 59 SER HA H 59 4.580 4.580 4.151 0.429 18356 5049 1 6 . 1 1 59 59 SER C C 59 173.200 173.200 175.660 -2.460 18356 5050 1 6 . 1 1 59 59 SER CA C 59 60.500 60.500 61.693 -1.193 18356 5051 1 6 . 1 1 59 59 SER CB C 59 66.100 66.100 61.169 4.931 18356 5052 1 6 . 1 1 59 59 SER H H 59 9.010 9.010 8.587 0.423 18356 5053 1 6 . 1 1 60 60 LYS N N 60 123.100 123.100 122.824 0.276 18356 5054 1 6 . 1 1 60 60 LYS HA H 60 4.080 4.080 4.211 -0.131 18356 5055 1 6 . 1 1 60 60 LYS C C 60 176.500 176.500 177.900 -1.400 18356 5056 1 6 . 1 1 60 60 LYS CA C 60 61.000 61.000 58.804 2.196 18356 5057 1 6 . 1 1 60 60 LYS CB C 60 32.800 32.800 32.346 0.454 18356 5058 1 6 . 1 1 60 60 LYS H H 60 7.450 7.450 8.519 -1.069 18356 5059 1 6 . 1 1 61 61 ALA N N 61 120.700 120.700 120.279 0.421 18356 5060 1 6 . 1 1 61 61 ALA HA H 61 4.130 4.130 4.074 0.056 18356 5061 1 6 . 1 1 61 61 ALA C C 61 181.800 181.800 178.622 3.178 18356 5062 1 6 . 1 1 61 61 ALA CA C 61 55.500 55.500 54.331 1.169 18356 5063 1 6 . 1 1 61 61 ALA CB C 61 17.900 17.900 17.788 0.112 18356 5064 1 6 . 1 1 61 61 ALA H H 61 8.800 8.800 8.417 0.383 18356 5065 1 6 . 1 1 62 62 ALA N N 62 119.900 119.900 121.401 -1.501 18356 5066 1 6 . 1 1 62 62 ALA HA H 62 4.040 4.040 3.952 0.088 18356 5067 1 6 . 1 1 62 62 ALA C C 62 178.600 178.600 178.918 -0.318 18356 5068 1 6 . 1 1 62 62 ALA CA C 62 55.400 55.400 54.149 1.251 18356 5069 1 6 . 1 1 62 62 ALA CB C 62 19.700 19.700 17.804 1.896 18356 5070 1 6 . 1 1 62 62 ALA H H 62 8.760 8.760 7.186 1.574 18356 5071 1 6 . 1 1 63 63 PHE N N 63 120.400 120.400 116.589 3.811 18356 5072 1 6 . 1 1 63 63 PHE HA H 63 3.660 3.660 4.266 -0.606 18356 5073 1 6 . 1 1 63 63 PHE C C 63 177.300 177.300 178.081 -0.781 18356 5074 1 6 . 1 1 63 63 PHE CA C 63 62.200 62.200 60.713 1.487 18356 5075 1 6 . 1 1 63 63 PHE CB C 63 39.600 39.600 38.106 1.494 18356 5076 1 6 . 1 1 63 63 PHE H H 63 9.380 9.380 7.237 2.143 18356 5077 1 6 . 1 1 64 64 ASP N N 64 119.700 119.700 119.167 0.533 18356 5078 1 6 . 1 1 64 64 ASP HA H 64 4.410 4.410 4.367 0.043 18356 5079 1 6 . 1 1 64 64 ASP C C 64 180.200 180.200 178.594 1.606 18356 5080 1 6 . 1 1 64 64 ASP CA C 64 57.700 57.700 57.871 -0.171 18356 5081 1 6 . 1 1 64 64 ASP CB C 64 39.600 39.600 40.321 -0.721 18356 5082 1 6 . 1 1 64 64 ASP H H 64 9.180 9.180 7.758 1.422 18356 5083 1 6 . 1 1 65 65 LYS N N 65 119.800 119.800 119.774 0.026 18356 5084 1 6 . 1 1 65 65 LYS HA H 65 4.080 4.080 4.030 0.050 18356 5085 1 6 . 1 1 65 65 LYS C C 65 179.100 179.100 178.621 0.479 18356 5086 1 6 . 1 1 65 65 LYS CA C 65 59.600 59.600 58.640 0.960 18356 5087 1 6 . 1 1 65 65 LYS CB C 65 32.500 32.500 31.971 0.529 18356 5088 1 6 . 1 1 65 65 LYS H H 65 7.420 7.420 7.428 -0.008 18356 5089 1 6 . 1 1 66 66 PHE N N 66 123.400 123.400 118.003 5.397 18356 5090 1 6 . 1 1 66 66 PHE HA H 66 4.340 4.340 4.126 0.214 18356 5091 1 6 . 1 1 66 66 PHE C C 66 175.900 175.900 178.314 -2.414 18356 5092 1 6 . 1 1 66 66 PHE CA C 66 59.900 59.900 60.023 -0.123 18356 5093 1 6 . 1 1 66 66 PHE CB C 66 38.300 38.300 38.202 0.098 18356 5094 1 6 . 1 1 66 66 PHE H H 66 8.000 8.000 7.883 0.117 18356 5095 1 6 . 1 1 67 67 VAL N N 67 120.200 120.200 118.360 1.840 18356 5096 1 6 . 1 1 67 67 VAL HA H 67 2.600 2.600 3.831 -1.231 18356 5097 1 6 . 1 1 67 67 VAL C C 67 177.700 177.700 176.908 0.792 18356 5098 1 6 . 1 1 67 67 VAL CA C 67 67.100 67.100 64.809 2.291 18356 5099 1 6 . 1 1 67 67 VAL CB C 67 31.700 31.700 31.907 -0.207 18356 5100 1 6 . 1 1 67 67 VAL H H 67 8.500 8.500 8.239 0.261 18356 5101 1 6 . 1 1 68 68 GLU N N 68 118.300 118.300 120.149 -1.849 18356 5102 1 6 . 1 1 68 68 GLU HA H 68 3.800 3.800 3.965 -0.165 18356 5103 1 6 . 1 1 68 68 GLU C C 68 178.800 178.800 178.422 0.378 18356 5104 1 6 . 1 1 68 68 GLU CA C 68 59.500 59.500 59.136 0.364 18356 5105 1 6 . 1 1 68 68 GLU CB C 68 29.400 29.400 29.223 0.177 18356 5106 1 6 . 1 1 68 68 GLU H H 68 7.510 7.510 7.592 -0.082 18356 5107 1 6 . 1 1 69 69 ASP N N 69 121.400 121.400 118.164 3.236 18356 5108 1 6 . 1 1 69 69 ASP HA H 69 4.360 4.360 4.497 -0.137 18356 5109 1 6 . 1 1 69 69 ASP C C 69 178.100 178.100 178.629 -0.529 18356 5110 1 6 . 1 1 69 69 ASP CA C 69 56.500 56.500 56.896 -0.396 18356 5111 1 6 . 1 1 69 69 ASP CB C 69 40.900 40.900 40.893 0.007 18356 5112 1 6 . 1 1 69 69 ASP H H 69 7.750 7.750 7.582 0.168 18356 5113 1 6 . 1 1 70 70 VAL N N 70 117.600 117.600 120.079 -2.479 18356 5114 1 6 . 1 1 70 70 VAL HA H 70 3.050 3.050 3.652 -0.602 18356 5115 1 6 . 1 1 70 70 VAL C C 70 179.900 179.900 178.189 1.711 18356 5116 1 6 . 1 1 70 70 VAL CA C 70 67.500 67.500 66.026 1.474 18356 5117 1 6 . 1 1 70 70 VAL CB C 70 32.400 32.400 31.151 1.249 18356 5118 1 6 . 1 1 70 70 VAL H H 70 8.230 8.230 7.388 0.842 18356 5119 1 6 . 1 1 71 71 LYS N N 71 120.900 120.900 118.596 2.304 18356 5120 1 6 . 1 1 71 71 LYS HA H 71 3.450 3.450 4.031 -0.581 18356 5121 1 6 . 1 1 71 71 LYS C C 71 177.700 177.700 178.361 -0.661 18356 5122 1 6 . 1 1 71 71 LYS CA C 71 61.900 61.900 58.679 3.221 18356 5123 1 6 . 1 1 71 71 LYS CB C 71 32.400 32.400 31.027 1.373 18356 5124 1 6 . 1 1 71 71 LYS H H 71 8.900 8.900 8.022 0.878 18356 5125 1 6 . 1 1 72 72 SER N N 72 114.200 114.200 116.361 -2.161 18356 5126 1 6 . 1 1 72 72 SER HA H 72 4.340 4.340 4.247 0.093 18356 5127 1 6 . 1 1 72 72 SER C C 72 178.300 178.300 176.331 1.969 18356 5128 1 6 . 1 1 72 72 SER CA C 72 61.500 61.500 60.541 0.959 18356 5129 1 6 . 1 1 72 72 SER CB C 72 63.000 63.000 62.530 0.470 18356 5130 1 6 . 1 1 72 72 SER H H 72 8.000 8.000 7.706 0.294 18356 5131 1 6 . 1 1 73 73 ARG N N 73 119.700 119.700 118.514 1.186 18356 5132 1 6 . 1 1 73 73 ARG HA H 73 4.160 4.160 4.167 -0.007 18356 5133 1 6 . 1 1 73 73 ARG C C 73 177.000 177.000 177.474 -0.474 18356 5134 1 6 . 1 1 73 73 ARG CA C 73 58.700 58.700 57.949 0.751 18356 5135 1 6 . 1 1 73 73 ARG CB C 73 30.300 30.300 30.032 0.268 18356 5136 1 6 . 1 1 73 73 ARG H H 73 8.430 8.430 7.823 0.607 18356 5137 1 6 . 1 1 74 74 THR N N 74 103.500 103.500 107.822 -4.322 18356 5138 1 6 . 1 1 74 74 THR HA H 74 4.210 4.210 4.402 -0.192 18356 5139 1 6 . 1 1 74 74 THR C C 74 173.500 173.500 174.460 -0.960 18356 5140 1 6 . 1 1 74 74 THR CA C 74 60.300 60.300 62.431 -2.131 18356 5141 1 6 . 1 1 74 74 THR CB C 74 70.100 70.100 69.002 1.098 18356 5142 1 6 . 1 1 74 74 THR H H 74 7.400 7.400 7.635 -0.235 18356 5143 1 6 . 1 1 75 75 ASP N N 75 121.300 121.300 121.815 -0.515 18356 5144 1 6 . 1 1 75 75 ASP HA H 75 4.280 4.280 4.612 -0.332 18356 5145 1 6 . 1 1 75 75 ASP C C 75 176.500 176.500 176.690 -0.190 18356 5146 1 6 . 1 1 75 75 ASP CA C 75 55.300 55.300 54.944 0.356 18356 5147 1 6 . 1 1 75 75 ASP CB C 75 38.400 38.400 41.847 -3.447 18356 5148 1 6 . 1 1 75 75 ASP H H 75 7.900 7.900 7.702 0.198 18356 5149 1 6 . 1 1 76 76 ASN N N 76 116.400 116.400 118.380 -1.980 18356 5150 1 6 . 1 1 76 76 ASN HA H 76 4.000 4.000 4.773 -0.773 18356 5151 1 6 . 1 1 76 76 ASN C C 76 173.600 173.600 175.989 -2.389 18356 5152 1 6 . 1 1 76 76 ASN CA C 76 54.000 54.000 53.044 0.956 18356 5153 1 6 . 1 1 76 76 ASN CB C 76 36.600 36.600 39.438 -2.838 18356 5154 1 6 . 1 1 76 76 ASN H H 76 9.070 9.070 7.924 1.146 18356 5155 1 6 . 1 1 77 77 LEU N N 77 112.300 112.300 116.266 -3.966 18356 5156 1 6 . 1 1 77 77 LEU HA H 77 3.670 3.670 4.437 -0.767 18356 5157 1 6 . 1 1 77 77 LEU C C 77 175.200 175.200 177.006 -1.806 18356 5158 1 6 . 1 1 77 77 LEU CA C 77 55.900 55.900 55.935 -0.035 18356 5159 1 6 . 1 1 77 77 LEU CB C 77 37.900 37.900 42.430 -4.530 18356 5160 1 6 . 1 1 77 77 LEU H H 77 7.840 7.840 8.359 -0.519 18356 5161 1 6 . 1 1 78 78 THR N N 78 106.000 106.000 114.269 -8.269 18356 5162 1 6 . 1 1 78 78 THR HA H 78 4.220 4.220 4.421 -0.201 18356 5163 1 6 . 1 1 78 78 THR C C 78 172.200 172.200 172.694 -0.494 18356 5164 1 6 . 1 1 78 78 THR CA C 78 60.600 60.600 62.268 -1.668 18356 5165 1 6 . 1 1 78 78 THR CB C 78 69.300 69.300 69.355 -0.055 18356 5166 1 6 . 1 1 78 78 THR H H 78 8.240 8.240 7.693 0.547 18356 5167 1 6 . 1 1 79 79 ASP N N 79 118.600 118.600 124.189 -5.589 18356 5168 1 6 . 1 1 79 79 ASP HA H 79 4.730 4.730 4.778 -0.048 18356 5169 1 6 . 1 1 79 79 ASP C C 79 173.000 173.000 174.463 -1.463 18356 5170 1 6 . 1 1 79 79 ASP CA C 79 51.500 51.500 53.528 -2.028 18356 5171 1 6 . 1 1 79 79 ASP CB C 79 44.300 44.300 43.398 0.902 18356 5172 1 6 . 1 1 79 79 ASP H H 79 7.490 7.490 8.089 -0.599 18356 5173 1 6 . 1 1 80 80 CYS N N 80 115.900 115.900 119.463 -3.563 18356 5174 1 6 . 1 1 80 80 CYS HA H 80 4.470 4.470 4.331 0.139 18356 5175 1 6 . 1 1 80 80 CYS C C 80 174.000 174.000 173.807 0.193 18356 5176 1 6 . 1 1 80 80 CYS CA C 80 56.300 56.300 57.898 -1.598 18356 5177 1 6 . 1 1 80 80 CYS CB C 80 29.500 29.500 28.385 1.115 18356 5178 1 6 . 1 1 80 80 CYS H H 80 8.480 8.480 8.491 -0.011 18356 5179 1 6 . 1 1 81 81 ARG N N 81 115.600 115.600 124.204 -8.604 18356 5180 1 6 . 1 1 81 81 ARG HA H 81 4.680 4.680 4.744 -0.064 18356 5181 1 6 . 1 1 81 81 ARG C C 81 175.500 175.500 174.252 1.248 18356 5182 1 6 . 1 1 81 81 ARG CA C 81 54.200 54.200 55.200 -1.000 18356 5183 1 6 . 1 1 81 81 ARG CB C 81 39.000 39.000 34.331 4.669 18356 5184 1 6 . 1 1 81 81 ARG H H 81 8.380 8.380 8.107 0.273 18356 5185 1 6 . 1 1 82 82 TYR N N 82 114.200 114.200 124.602 -10.402 18356 5186 1 6 . 1 1 82 82 TYR HA H 82 5.780 5.780 4.762 1.018 18356 5187 1 6 . 1 1 82 82 TYR C C 82 175.200 175.200 173.939 1.261 18356 5188 1 6 . 1 1 82 82 TYR CA C 82 55.200 55.200 56.711 -1.511 18356 5189 1 6 . 1 1 82 82 TYR CB C 82 42.200 42.200 42.610 -0.410 18356 5190 1 6 . 1 1 82 82 TYR H H 82 8.170 8.170 9.272 -1.102 18356 5191 1 6 . 1 1 83 83 ALA N N 83 121.300 121.300 123.894 -2.594 18356 5192 1 6 . 1 1 83 83 ALA HA H 83 5.730 5.730 4.901 0.829 18356 5193 1 6 . 1 1 83 83 ALA C C 83 175.900 175.900 175.210 0.690 18356 5194 1 6 . 1 1 83 83 ALA CA C 83 52.000 52.000 50.859 1.141 18356 5195 1 6 . 1 1 83 83 ALA CB C 83 24.300 24.300 21.102 3.198 18356 5196 1 6 . 1 1 83 83 ALA H H 83 8.780 8.780 8.865 -0.085 18356 5197 1 6 . 1 1 84 84 VAL N N 84 111.700 111.700 123.451 -11.751 18356 5198 1 6 . 1 1 84 84 VAL HA H 84 6.180 6.180 5.162 1.018 18356 5199 1 6 . 1 1 84 84 VAL C C 84 176.900 176.900 175.014 1.886 18356 5200 1 6 . 1 1 84 84 VAL CA C 84 58.800 58.800 60.797 -1.997 18356 5201 1 6 . 1 1 84 84 VAL CB C 84 35.600 35.600 33.801 1.799 18356 5202 1 6 . 1 1 84 84 VAL H H 84 9.150 9.150 8.729 0.421 18356 5203 1 6 . 1 1 85 85 PHE N N 85 121.600 121.600 121.176 0.424 18356 5204 1 6 . 1 1 85 85 PHE HA H 85 4.710 4.710 5.173 -0.463 18356 5205 1 6 . 1 1 85 85 PHE C C 85 176.500 176.500 172.797 3.703 18356 5206 1 6 . 1 1 85 85 PHE CA C 85 57.200 57.200 56.888 0.312 18356 5207 1 6 . 1 1 85 85 PHE CB C 85 43.900 43.900 41.190 2.711 18356 5208 1 6 . 1 1 85 85 PHE H H 85 8.780 8.780 7.988 0.792 18356 5209 1 6 . 1 1 86 86 ASP N N 86 126.700 126.700 119.286 7.414 18356 5210 1 6 . 1 1 86 86 ASP HA H 86 4.830 4.830 5.149 -0.319 18356 5211 1 6 . 1 1 86 86 ASP C C 86 171.800 171.800 174.682 -2.882 18356 5212 1 6 . 1 1 86 86 ASP CA C 86 54.300 54.300 52.913 1.387 18356 5213 1 6 . 1 1 86 86 ASP CB C 86 40.300 40.300 43.599 -3.299 18356 5214 1 6 . 1 1 86 86 ASP H H 86 7.490 7.490 8.782 -1.292 18356 5215 1 6 . 1 1 87 87 PHE N N 87 135.000 135.000 121.644 13.356 18356 5216 1 6 . 1 1 87 87 PHE HA H 87 3.980 3.980 4.523 -0.543 18356 5217 1 6 . 1 1 87 87 PHE C C 87 173.600 173.600 173.995 -0.395 18356 5218 1 6 . 1 1 87 87 PHE CA C 87 59.700 59.700 57.025 2.675 18356 5219 1 6 . 1 1 87 87 PHE CB C 87 42.900 42.900 42.485 0.415 18356 5220 1 6 . 1 1 87 87 PHE H H 87 9.600 9.600 7.958 1.642 18356 5221 1 6 . 1 1 88 88 LYS N N 88 127.700 127.700 128.395 -0.695 18356 5222 1 6 . 1 1 88 88 LYS HA H 88 5.260 5.260 4.639 0.621 18356 5223 1 6 . 1 1 88 88 LYS C C 88 176.200 176.200 175.531 0.669 18356 5224 1 6 . 1 1 88 88 LYS CA C 88 55.500 55.500 55.701 -0.201 18356 5225 1 6 . 1 1 88 88 LYS CB C 88 33.100 33.100 31.660 1.440 18356 5226 1 6 . 1 1 88 88 LYS H H 88 7.550 7.550 8.029 -0.479 18356 5227 1 6 . 1 1 89 89 PHE N N 89 119.700 119.700 124.417 -4.717 18356 5228 1 6 . 1 1 89 89 PHE HA H 89 5.290 5.290 4.676 0.614 18356 5229 1 6 . 1 1 89 89 PHE C C 89 172.100 172.100 174.032 -1.932 18356 5230 1 6 . 1 1 89 89 PHE CA C 89 56.300 56.300 54.897 1.403 18356 5231 1 6 . 1 1 89 89 PHE CB C 89 40.200 40.200 40.597 -0.397 18356 5232 1 6 . 1 1 89 89 PHE H H 89 9.600 9.600 8.512 1.088 18356 5233 1 6 . 1 1 90 90 THR N N 90 111.800 111.800 114.302 -2.502 18356 5234 1 6 . 1 1 90 90 THR HA H 90 5.170 5.170 4.368 0.802 18356 5235 1 6 . 1 1 90 90 THR C C 90 174.100 174.100 173.046 1.054 18356 5236 1 6 . 1 1 90 90 THR CA C 90 60.500 60.500 60.857 -0.357 18356 5237 1 6 . 1 1 90 90 THR CB C 90 71.200 71.200 69.533 1.667 18356 5238 1 6 . 1 1 90 90 THR H H 90 8.170 8.170 8.421 -0.252 18356 5239 1 6 . 1 1 91 91 CYS N N 91 121.300 121.300 124.044 -2.744 18356 5240 1 6 . 1 1 91 91 CYS HA H 91 4.880 4.880 4.647 0.233 18356 5241 1 6 . 1 1 91 91 CYS C C 91 173.600 173.600 174.018 -0.418 18356 5242 1 6 . 1 1 91 91 CYS CA C 91 57.200 57.200 57.584 -0.384 18356 5243 1 6 . 1 1 91 91 CYS CB C 91 30.300 30.300 31.317 -1.017 18356 5244 1 6 . 1 1 91 91 CYS H H 91 8.810 8.810 8.367 0.443 18356 5245 1 6 . 1 1 92 92 SER N N 92 120.800 120.800 117.588 3.212 18356 5246 1 6 . 1 1 92 92 SER HA H 92 4.180 4.180 4.484 -0.304 18356 5247 1 6 . 1 1 92 92 SER C C 92 173.600 173.600 174.273 -0.673 18356 5248 1 6 . 1 1 92 92 SER CA C 92 58.300 58.300 58.221 0.079 18356 5249 1 6 . 1 1 92 92 SER CB C 92 64.000 64.000 63.881 0.119 18356 5250 1 6 . 1 1 92 92 SER H H 92 8.960 8.960 8.564 0.396 18356 5251 1 6 . 1 1 93 93 ARG N N 93 123.600 123.600 123.138 0.462 18356 5252 1 6 . 1 1 93 93 ARG HA H 93 4.710 4.710 4.294 0.416 18356 5253 1 6 . 1 1 93 93 ARG C C 93 176.300 176.300 175.735 0.565 18356 5254 1 6 . 1 1 93 93 ARG CA C 93 54.800 54.800 56.390 -1.590 18356 5255 1 6 . 1 1 93 93 ARG CB C 93 32.800 32.800 29.573 3.227 18356 5256 1 6 . 1 1 93 93 ARG H H 93 8.140 8.140 8.565 -0.425 18356 5257 1 6 . 1 1 94 94 VAL N N 94 124.700 124.700 125.963 -1.263 18356 5258 1 6 . 1 1 94 94 VAL HA H 94 3.850 3.850 4.348 -0.498 18356 5259 1 6 . 1 1 94 94 VAL C C 94 177.400 177.400 176.627 0.773 18356 5260 1 6 . 1 1 94 94 VAL CA C 94 64.300 64.300 61.709 2.591 18356 5261 1 6 . 1 1 94 94 VAL CB C 94 31.900 31.900 33.596 -1.696 18356 5262 1 6 . 1 1 94 94 VAL H H 94 8.880 8.880 8.038 0.842 18356 5263 1 6 . 1 1 95 95 GLY N N 95 115.100 115.100 118.510 -3.410 18356 5264 1 6 . 1 1 95 95 GLY C C 95 174.100 174.100 173.468 0.632 18356 5265 1 6 . 1 1 95 95 GLY CA C 95 45.800 45.800 45.634 0.166 18356 5266 1 6 . 1 1 95 95 GLY H H 95 8.900 8.900 8.746 0.154 18356 5267 1 6 . 1 1 96 96 ALA N N 96 123.000 123.000 123.729 -0.729 18356 5268 1 6 . 1 1 96 96 ALA HA H 96 4.520 4.520 4.735 -0.215 18356 5269 1 6 . 1 1 96 96 ALA C C 96 177.500 177.500 177.974 -0.474 18356 5270 1 6 . 1 1 96 96 ALA CA C 96 52.100 52.100 50.548 1.552 18356 5271 1 6 . 1 1 96 96 ALA CB C 96 20.300 20.300 21.102 -0.802 18356 5272 1 6 . 1 1 96 96 ALA H H 96 8.070 8.070 7.554 0.516 18356 5273 1 6 . 1 1 97 97 GLY N N 97 107.800 107.800 107.969 -0.169 18356 5274 1 6 . 1 1 97 97 GLY C C 97 174.000 174.000 173.985 0.015 18356 5275 1 6 . 1 1 97 97 GLY CA C 97 45.300 45.300 44.944 0.356 18356 5276 1 6 . 1 1 97 97 GLY H H 97 8.270 8.270 8.499 -0.229 18356 5277 1 6 . 1 1 98 98 THR N N 98 115.600 115.600 118.677 -3.077 18356 5278 1 6 . 1 1 98 98 THR HA H 98 4.720 4.720 4.072 0.648 18356 5279 1 6 . 1 1 98 98 THR C C 98 174.300 174.300 173.442 0.858 18356 5280 1 6 . 1 1 98 98 THR CA C 98 61.900 61.900 64.198 -2.298 18356 5281 1 6 . 1 1 98 98 THR CB C 98 70.400 70.400 69.311 1.089 18356 5282 1 6 . 1 1 98 98 THR H H 98 8.330 8.330 7.598 0.732 18356 5283 1 6 . 1 1 99 99 SER N N 99 119.900 119.900 119.388 0.512 18356 5284 1 6 . 1 1 99 99 SER HA H 99 4.660 4.660 5.118 -0.458 18356 5285 1 6 . 1 1 99 99 SER C C 99 173.000 173.000 173.450 -0.450 18356 5286 1 6 . 1 1 99 99 SER CA C 99 57.700 57.700 56.578 1.122 18356 5287 1 6 . 1 1 99 99 SER CB C 99 65.300 65.300 67.253 -1.953 18356 5288 1 6 . 1 1 99 99 SER H H 99 8.760 8.760 9.085 -0.325 18356 5289 1 6 . 1 1 100 100 LYS N N 100 123.800 123.800 122.374 1.426 18356 5290 1 6 . 1 1 100 100 LYS HA H 100 4.260 4.260 4.184 0.076 18356 5291 1 6 . 1 1 100 100 LYS C C 100 175.600 175.600 176.019 -0.419 18356 5292 1 6 . 1 1 100 100 LYS CA C 100 56.900 56.900 56.755 0.145 18356 5293 1 6 . 1 1 100 100 LYS CB C 100 33.000 33.000 32.532 0.468 18356 5294 1 6 . 1 1 100 100 LYS H H 100 8.280 8.280 8.475 -0.195 18356 5295 1 6 . 1 1 101 101 MET N N 101 123.200 123.200 124.669 -1.469 18356 5296 1 6 . 1 1 101 101 MET HA H 101 4.510 4.510 4.639 -0.129 18356 5297 1 6 . 1 1 101 101 MET C C 101 172.700 172.700 173.642 -0.942 18356 5298 1 6 . 1 1 101 101 MET CA C 101 54.600 54.600 54.660 -0.060 18356 5299 1 6 . 1 1 101 101 MET CB C 101 35.900 35.900 37.106 -1.206 18356 5300 1 6 . 1 1 101 101 MET H H 101 8.910 8.910 8.223 0.687 18356 5301 1 6 . 1 1 102 102 ASP N N 102 119.000 119.000 120.729 -1.729 18356 5302 1 6 . 1 1 102 102 ASP HA H 102 5.690 5.690 4.773 0.917 18356 5303 1 6 . 1 1 102 102 ASP C C 102 175.600 175.600 175.196 0.404 18356 5304 1 6 . 1 1 102 102 ASP CA C 102 52.500 52.500 53.363 -0.863 18356 5305 1 6 . 1 1 102 102 ASP CB C 102 42.700 42.700 41.574 1.126 18356 5306 1 6 . 1 1 102 102 ASP H H 102 8.030 8.030 8.383 -0.353 18356 5307 1 6 . 1 1 103 103 LYS N N 103 122.100 122.100 123.265 -1.165 18356 5308 1 6 . 1 1 103 103 LYS HA H 103 4.810 4.810 4.639 0.171 18356 5309 1 6 . 1 1 103 103 LYS C C 103 174.400 174.400 175.317 -0.917 18356 5310 1 6 . 1 1 103 103 LYS CA C 103 53.400 53.400 54.529 -1.129 18356 5311 1 6 . 1 1 103 103 LYS CB C 103 36.500 36.500 35.128 1.372 18356 5312 1 6 . 1 1 103 103 LYS H H 103 9.340 9.340 8.199 1.141 18356 5313 1 6 . 1 1 104 104 ILE N N 104 123.500 123.500 127.684 -4.184 18356 5314 1 6 . 1 1 104 104 ILE HA H 104 3.780 3.780 4.208 -0.428 18356 5315 1 6 . 1 1 104 104 ILE C C 104 175.900 175.900 174.679 1.221 18356 5316 1 6 . 1 1 104 104 ILE CA C 104 61.700 61.700 61.739 -0.039 18356 5317 1 6 . 1 1 104 104 ILE CB C 104 37.700 37.700 38.798 -1.098 18356 5318 1 6 . 1 1 104 104 ILE H H 104 8.810 8.810 8.831 -0.021 18356 5319 1 6 . 1 1 105 105 ILE N N 105 119.200 119.200 124.579 -5.379 18356 5320 1 6 . 1 1 105 105 ILE HA H 105 5.310 5.310 5.142 0.168 18356 5321 1 6 . 1 1 105 105 ILE C C 105 174.200 174.200 173.840 0.360 18356 5322 1 6 . 1 1 105 105 ILE CA C 105 59.700 59.700 58.635 1.065 18356 5323 1 6 . 1 1 105 105 ILE CB C 105 39.800 39.800 40.575 -0.775 18356 5324 1 6 . 1 1 105 105 ILE H H 105 8.130 8.130 8.714 -0.584 18356 5325 1 6 . 1 1 106 106 PHE N N 106 125.800 125.800 124.579 1.221 18356 5326 1 6 . 1 1 106 106 PHE HA H 106 5.680 5.680 4.885 0.795 18356 5327 1 6 . 1 1 106 106 PHE C C 106 173.500 173.500 173.227 0.273 18356 5328 1 6 . 1 1 106 106 PHE CA C 106 56.000 56.000 55.932 0.068 18356 5329 1 6 . 1 1 106 106 PHE CB C 106 43.000 43.000 42.200 0.800 18356 5330 1 6 . 1 1 106 106 PHE H H 106 9.570 9.570 8.694 0.876 18356 5331 1 6 . 1 1 107 107 LEU N N 107 125.900 125.900 124.061 1.839 18356 5332 1 6 . 1 1 107 107 LEU HA H 107 5.300 5.300 4.811 0.489 18356 5333 1 6 . 1 1 107 107 LEU C C 107 174.600 174.600 175.976 -1.376 18356 5334 1 6 . 1 1 107 107 LEU CA C 107 53.300 53.300 51.930 1.370 18356 5335 1 6 . 1 1 107 107 LEU CB C 107 44.400 44.400 42.677 1.723 18356 5336 1 6 . 1 1 107 107 LEU H H 107 9.320 9.320 7.290 2.030 18356 5337 1 6 . 1 1 108 108 GLN N N 108 124.800 124.800 119.733 5.067 18356 5338 1 6 . 1 1 108 108 GLN HA H 108 4.670 4.670 4.778 -0.108 18356 5339 1 6 . 1 1 108 108 GLN C C 108 173.900 173.900 174.716 -0.816 18356 5340 1 6 . 1 1 108 108 GLN CA C 108 55.500 55.500 55.122 0.378 18356 5341 1 6 . 1 1 108 108 GLN CB C 108 30.200 30.200 29.816 0.384 18356 5342 1 6 . 1 1 108 108 GLN H H 108 8.620 8.620 7.899 0.721 18356 5343 1 6 . 1 1 109 109 ILE N N 109 128.400 128.400 125.913 2.487 18356 5344 1 6 . 1 1 109 109 ILE HA H 109 4.340 4.340 4.295 0.045 18356 5345 1 6 . 1 1 109 109 ILE C C 109 173.800 173.800 174.801 -1.001 18356 5346 1 6 . 1 1 109 109 ILE CA C 109 61.500 61.500 59.487 2.013 18356 5347 1 6 . 1 1 109 109 ILE CB C 109 37.600 37.600 37.056 0.544 18356 5348 1 6 . 1 1 109 109 ILE H H 109 8.550 8.550 8.014 0.536 18356 5349 1 6 . 1 1 110 110 CYS N N 110 125.800 125.800 126.912 -1.112 18356 5350 1 6 . 1 1 110 110 CYS HA H 110 5.340 5.340 4.676 0.664 18356 5351 1 6 . 1 1 110 110 CYS C C 110 171.200 171.200 172.042 -0.842 18356 5352 1 6 . 1 1 110 110 CYS CA C 110 54.400 54.400 55.806 -1.406 18356 5353 1 6 . 1 1 110 110 CYS CB C 110 29.400 29.400 29.727 -0.327 18356 5354 1 6 . 1 1 110 110 CYS H H 110 8.330 8.330 8.101 0.229 18356 5355 1 6 . 1 1 111 111 PRO HA H 111 4.470 4.470 4.766 -0.296 18356 5356 1 6 . 1 1 111 111 PRO CA C 111 59.500 59.500 62.289 -2.789 18356 5357 1 6 . 1 1 112 112 ASP N N 112 120.600 120.600 122.640 -2.040 18356 5358 1 6 . 1 1 112 112 ASP HA H 112 4.260 4.260 4.351 -0.091 18356 5359 1 6 . 1 1 112 112 ASP C C 112 177.400 177.400 177.608 -0.208 18356 5360 1 6 . 1 1 112 112 ASP CA C 112 57.700 57.700 56.479 1.221 18356 5361 1 6 . 1 1 112 112 ASP CB C 112 41.300 41.300 40.697 0.603 18356 5362 1 6 . 1 1 112 112 ASP H H 112 8.390 8.390 8.448 -0.058 18356 5363 1 6 . 1 1 113 113 GLY N N 113 103.400 103.400 106.720 -3.320 18356 5364 1 6 . 1 1 113 113 GLY C C 113 174.500 174.500 174.118 0.382 18356 5365 1 6 . 1 1 113 113 GLY CA C 113 45.500 45.500 44.943 0.557 18356 5366 1 6 . 1 1 113 113 GLY H H 113 8.520 8.520 8.319 0.201 18356 5367 1 6 . 1 1 114 114 ALA N N 114 122.000 122.000 123.732 -1.732 18356 5368 1 6 . 1 1 114 114 ALA HA H 114 4.360 4.360 4.457 -0.097 18356 5369 1 6 . 1 1 114 114 ALA C C 114 176.200 176.200 177.107 -0.907 18356 5370 1 6 . 1 1 114 114 ALA CA C 114 51.000 51.000 50.741 0.259 18356 5371 1 6 . 1 1 114 114 ALA CB C 114 20.500 20.500 20.567 -0.067 18356 5372 1 6 . 1 1 114 114 ALA H H 114 7.560 7.560 7.371 0.189 18356 5373 1 6 . 1 1 115 115 SER N N 115 115.900 115.900 114.873 1.027 18356 5374 1 6 . 1 1 115 115 SER HA H 115 4.400 4.400 4.286 0.114 18356 5375 1 6 . 1 1 115 115 SER C C 115 175.600 175.600 175.715 -0.115 18356 5376 1 6 . 1 1 115 115 SER CA C 115 57.700 57.700 59.285 -1.585 18356 5377 1 6 . 1 1 115 115 SER CB C 115 64.400 64.400 63.601 0.799 18356 5378 1 6 . 1 1 115 115 SER H H 115 8.620 8.620 8.684 -0.064 18356 5379 1 6 . 1 1 116 116 ILE N N 116 123.700 123.700 126.508 -2.808 18356 5380 1 6 . 1 1 116 116 ILE HA H 116 4.740 4.740 3.951 0.789 18356 5381 1 6 . 1 1 116 116 ILE C C 116 177.600 177.600 176.670 0.930 18356 5382 1 6 . 1 1 116 116 ILE CA C 116 61.900 61.900 63.785 -1.885 18356 5383 1 6 . 1 1 116 116 ILE CB C 116 37.800 37.800 38.067 -0.267 18356 5384 1 6 . 1 1 116 116 ILE H H 116 8.810 8.810 8.764 0.046 18356 5385 1 6 . 1 1 117 117 LYS N N 117 119.200 119.200 118.973 0.227 18356 5386 1 6 . 1 1 117 117 LYS HA H 117 4.080 4.080 4.101 -0.021 18356 5387 1 6 . 1 1 117 117 LYS C C 117 179.400 179.400 178.623 0.777 18356 5388 1 6 . 1 1 117 117 LYS CA C 117 59.600 59.600 58.932 0.668 18356 5389 1 6 . 1 1 117 117 LYS CB C 117 32.700 32.700 31.047 1.653 18356 5390 1 6 . 1 1 117 117 LYS H H 117 8.140 8.140 8.511 -0.371 18356 5391 1 6 . 1 1 118 118 LYS N N 118 118.700 118.700 118.940 -0.240 18356 5392 1 6 . 1 1 118 118 LYS HA H 118 4.290 4.290 4.165 0.125 18356 5393 1 6 . 1 1 118 118 LYS C C 118 178.700 178.700 178.543 0.157 18356 5394 1 6 . 1 1 118 118 LYS CA C 118 58.500 58.500 58.915 -0.415 18356 5395 1 6 . 1 1 118 118 LYS CB C 118 32.500 32.500 31.848 0.652 18356 5396 1 6 . 1 1 118 118 LYS H H 118 7.570 7.570 7.609 -0.039 18356 5397 1 6 . 1 1 119 119 LYS N N 119 118.900 118.900 120.021 -1.121 18356 5398 1 6 . 1 1 119 119 LYS HA H 119 4.340 4.340 4.572 -0.232 18356 5399 1 6 . 1 1 119 119 LYS C C 119 179.600 179.600 179.497 0.103 18356 5400 1 6 . 1 1 119 119 LYS CA C 119 61.300 61.300 59.019 2.281 18356 5401 1 6 . 1 1 119 119 LYS CB C 119 32.300 32.300 32.177 0.123 18356 5402 1 6 . 1 1 119 119 LYS H H 119 8.450 8.450 7.758 0.692 18356 5403 1 6 . 1 1 120 120 MET N N 120 117.400 117.400 117.592 -0.192 18356 5404 1 6 . 1 1 120 120 MET HA H 120 4.290 4.290 4.311 -0.021 18356 5405 1 6 . 1 1 120 120 MET C C 120 179.500 179.500 178.665 0.835 18356 5406 1 6 . 1 1 120 120 MET CA C 120 59.100 59.100 56.793 2.307 18356 5407 1 6 . 1 1 120 120 MET CB C 120 32.400 32.400 31.802 0.598 18356 5408 1 6 . 1 1 120 120 MET H H 120 8.420 8.420 7.526 0.894 18356 5409 1 6 . 1 1 121 121 VAL N N 121 121.800 121.800 119.568 2.232 18356 5410 1 6 . 1 1 121 121 VAL HA H 121 3.980 3.980 3.730 0.250 18356 5411 1 6 . 1 1 121 121 VAL C C 121 179.200 179.200 178.687 0.513 18356 5412 1 6 . 1 1 121 121 VAL CA C 121 66.200 66.200 66.584 -0.384 18356 5413 1 6 . 1 1 121 121 VAL CB C 121 32.300 32.300 32.039 0.261 18356 5414 1 6 . 1 1 121 121 VAL H H 121 8.000 8.000 7.940 0.060 18356 5415 1 6 . 1 1 122 122 TYR N N 122 121.300 121.300 119.585 1.715 18356 5416 1 6 . 1 1 122 122 TYR HA H 122 4.230 4.230 4.424 -0.194 18356 5417 1 6 . 1 1 122 122 TYR C C 122 180.700 180.700 176.769 3.931 18356 5418 1 6 . 1 1 122 122 TYR CA C 122 61.400 61.400 59.631 1.769 18356 5419 1 6 . 1 1 122 122 TYR CB C 122 38.300 38.300 36.770 1.530 18356 5420 1 6 . 1 1 122 122 TYR H H 122 8.610 8.610 8.973 -0.363 18356 5421 1 6 . 1 1 123 123 ALA N N 123 124.000 124.000 123.225 0.775 18356 5422 1 6 . 1 1 123 123 ALA HA H 123 4.360 4.360 3.532 0.828 18356 5423 1 6 . 1 1 123 123 ALA C C 123 180.800 180.800 179.540 1.260 18356 5424 1 6 . 1 1 123 123 ALA CA C 123 55.800 55.800 54.957 0.843 18356 5425 1 6 . 1 1 123 123 ALA CB C 123 18.200 18.200 17.642 0.558 18356 5426 1 6 . 1 1 123 123 ALA H H 123 8.760 8.760 7.603 1.157 18356 5427 1 6 . 1 1 124 124 SER N N 124 113.200 113.200 112.966 0.234 18356 5428 1 6 . 1 1 124 124 SER HA H 124 4.340 4.340 4.419 -0.079 18356 5429 1 6 . 1 1 124 124 SER C C 124 176.400 176.400 176.403 -0.003 18356 5430 1 6 . 1 1 124 124 SER CA C 124 61.500 61.500 60.396 1.104 18356 5431 1 6 . 1 1 124 124 SER CB C 124 63.300 63.300 63.095 0.205 18356 5432 1 6 . 1 1 124 124 SER H H 124 8.500 8.500 7.975 0.525 18356 5433 1 6 . 1 1 125 125 SER N N 125 115.200 115.200 119.245 -4.045 18356 5434 1 6 . 1 1 125 125 SER HA H 125 4.460 4.460 4.384 0.076 18356 5435 1 6 . 1 1 125 125 SER C C 125 173.100 173.100 175.209 -2.109 18356 5436 1 6 . 1 1 125 125 SER CA C 125 59.400 59.400 61.446 -2.046 18356 5437 1 6 . 1 1 125 125 SER CB C 125 63.400 63.400 63.244 0.156 18356 5438 1 6 . 1 1 125 125 SER H H 125 7.480 7.480 7.737 -0.257 18356 5439 1 6 . 1 1 126 126 ALA N N 126 122.600 122.600 123.441 -0.841 18356 5440 1 6 . 1 1 126 126 ALA HA H 126 3.780 3.780 4.101 -0.321 18356 5441 1 6 . 1 1 126 126 ALA C C 126 178.600 178.600 178.866 -0.266 18356 5442 1 6 . 1 1 126 126 ALA CA C 126 54.900 54.900 54.679 0.221 18356 5443 1 6 . 1 1 126 126 ALA CB C 126 18.700 18.700 18.185 0.515 18356 5444 1 6 . 1 1 126 126 ALA H H 126 7.100 7.100 8.377 -1.277 18356 5445 1 6 . 1 1 127 127 ALA N N 127 118.800 118.800 120.355 -1.555 18356 5446 1 6 . 1 1 127 127 ALA HA H 127 3.860 3.860 3.857 0.003 18356 5447 1 6 . 1 1 127 127 ALA C C 127 179.700 179.700 178.590 1.110 18356 5448 1 6 . 1 1 127 127 ALA CA C 127 55.200 55.200 54.884 0.316 18356 5449 1 6 . 1 1 127 127 ALA CB C 127 17.700 17.700 18.255 -0.555 18356 5450 1 6 . 1 1 127 127 ALA H H 127 8.480 8.480 8.049 0.431 18356 5451 1 6 . 1 1 128 128 ALA N N 128 120.700 120.700 122.057 -1.357 18356 5452 1 6 . 1 1 128 128 ALA HA H 128 3.990 3.990 3.972 0.018 18356 5453 1 6 . 1 1 128 128 ALA C C 128 180.600 180.600 178.948 1.652 18356 5454 1 6 . 1 1 128 128 ALA CA C 128 55.100 55.100 54.638 0.462 18356 5455 1 6 . 1 1 128 128 ALA CB C 128 17.900 17.900 18.431 -0.531 18356 5456 1 6 . 1 1 128 128 ALA H H 128 7.800 7.800 7.322 0.478 18356 5457 1 6 . 1 1 129 129 ILE N N 129 114.900 114.900 118.530 -3.630 18356 5458 1 6 . 1 1 129 129 ILE HA H 129 3.780 3.780 3.705 0.075 18356 5459 1 6 . 1 1 129 129 ILE C C 129 176.100 176.100 177.914 -1.814 18356 5460 1 6 . 1 1 129 129 ILE CA C 129 63.300 63.300 63.096 0.204 18356 5461 1 6 . 1 1 129 129 ILE CB C 129 37.200 37.200 37.117 0.083 18356 5462 1 6 . 1 1 129 129 ILE H H 129 7.180 7.180 7.387 -0.207 18356 5463 1 6 . 1 1 130 130 LYS N N 130 122.400 122.400 120.632 1.768 18356 5464 1 6 . 1 1 130 130 LYS HA H 130 3.870 3.870 3.158 0.712 18356 5465 1 6 . 1 1 130 130 LYS C C 130 178.400 178.400 178.066 0.334 18356 5466 1 6 . 1 1 130 130 LYS CA C 130 61.100 61.100 59.317 1.783 18356 5467 1 6 . 1 1 130 130 LYS CB C 130 31.500 31.500 31.883 -0.383 18356 5468 1 6 . 1 1 130 130 LYS H H 130 7.870 7.870 8.117 -0.247 18356 5469 1 6 . 1 1 131 131 THR N N 131 113.000 113.000 113.304 -0.304 18356 5470 1 6 . 1 1 131 131 THR HA H 131 3.870 3.870 4.023 -0.153 18356 5471 1 6 . 1 1 131 131 THR C C 131 176.300 176.300 175.716 0.584 18356 5472 1 6 . 1 1 131 131 THR CA C 131 65.900 65.900 65.466 0.435 18356 5473 1 6 . 1 1 131 131 THR CB C 131 68.700 68.700 68.199 0.501 18356 5474 1 6 . 1 1 131 131 THR H H 131 8.000 8.000 7.630 0.370 18356 5475 1 6 . 1 1 132 132 SER N N 132 117.300 117.300 114.863 2.437 18356 5476 1 6 . 1 1 132 132 SER HA H 132 4.100 4.100 4.202 -0.102 18356 5477 1 6 . 1 1 132 132 SER C C 132 174.900 174.900 175.018 -0.118 18356 5478 1 6 . 1 1 132 132 SER CA C 132 61.900 61.900 60.509 1.391 18356 5479 1 6 . 1 1 132 132 SER CB C 132 63.300 63.300 63.249 0.050 18356 5480 1 6 . 1 1 132 132 SER H H 132 7.290 7.290 7.603 -0.313 18356 5481 1 6 . 1 1 133 133 LEU N N 133 118.100 118.100 113.235 4.865 18356 5482 1 6 . 1 1 133 133 LEU HA H 133 3.700 3.700 4.569 -0.869 18356 5483 1 6 . 1 1 133 133 LEU C C 133 176.600 176.600 176.016 0.584 18356 5484 1 6 . 1 1 133 133 LEU CA C 133 56.300 56.300 54.201 2.099 18356 5485 1 6 . 1 1 133 133 LEU CB C 133 40.400 40.400 43.117 -2.716 18356 5486 1 6 . 1 1 133 133 LEU H H 133 7.330 7.330 7.189 0.141 18356 5487 1 6 . 1 1 134 134 GLY N N 134 105.600 105.600 105.970 -0.370 18356 5488 1 6 . 1 1 134 134 GLY C C 134 174.800 174.800 173.730 1.070 18356 5489 1 6 . 1 1 134 134 GLY CA C 134 45.300 45.300 45.352 -0.052 18356 5490 1 6 . 1 1 134 134 GLY H H 134 7.420 7.420 7.672 -0.252 18356 5491 1 6 . 1 1 135 135 THR N N 135 116.600 116.600 115.927 0.673 18356 5492 1 6 . 1 1 135 135 THR HA H 135 3.870 3.870 3.974 -0.104 18356 5493 1 6 . 1 1 135 135 THR C C 135 176.000 176.000 174.677 1.323 18356 5494 1 6 . 1 1 135 135 THR CA C 135 63.900 63.900 64.583 -0.683 18356 5495 1 6 . 1 1 135 135 THR CB C 135 68.600 68.600 69.080 -0.480 18356 5496 1 6 . 1 1 135 135 THR H H 135 8.450 8.450 8.420 0.030 18356 5497 1 6 . 1 1 136 136 GLY N N 136 109.300 109.300 105.305 3.995 18356 5498 1 6 . 1 1 136 136 GLY C C 136 175.000 175.000 174.087 0.913 18356 5499 1 6 . 1 1 136 136 GLY CA C 136 45.700 45.700 45.123 0.577 18356 5500 1 6 . 1 1 136 136 GLY H H 136 8.720 8.720 7.853 0.867 18356 5501 1 6 . 1 1 137 137 LYS N N 137 118.500 118.500 119.075 -0.575 18356 5502 1 6 . 1 1 137 137 LYS HA H 137 4.500 4.500 4.377 0.123 18356 5503 1 6 . 1 1 137 137 LYS C C 137 176.200 176.200 175.647 0.553 18356 5504 1 6 . 1 1 137 137 LYS CA C 137 56.300 56.300 56.574 -0.274 18356 5505 1 6 . 1 1 137 137 LYS CB C 137 34.100 34.100 31.797 2.303 18356 5506 1 6 . 1 1 137 137 LYS H H 137 8.110 8.110 8.325 -0.215 18356 5507 1 6 . 1 1 138 138 ILE N N 138 111.400 111.400 112.343 -0.943 18356 5508 1 6 . 1 1 138 138 ILE HA H 138 5.050 5.050 4.301 0.749 18356 5509 1 6 . 1 1 138 138 ILE C C 138 174.700 174.700 174.109 0.591 18356 5510 1 6 . 1 1 138 138 ILE CA C 138 59.500 59.500 58.499 1.001 18356 5511 1 6 . 1 1 138 138 ILE CB C 138 41.600 41.600 40.728 0.872 18356 5512 1 6 . 1 1 138 138 ILE H H 138 7.270 7.270 7.098 0.172 18356 5513 1 6 . 1 1 139 139 LEU N N 139 124.600 124.600 123.726 0.874 18356 5514 1 6 . 1 1 139 139 LEU HA H 139 4.690 4.690 4.734 -0.044 18356 5515 1 6 . 1 1 139 139 LEU C C 139 175.600 175.600 175.281 0.319 18356 5516 1 6 . 1 1 139 139 LEU CA C 139 54.200 54.200 53.629 0.571 18356 5517 1 6 . 1 1 139 139 LEU CB C 139 43.800 43.800 41.596 2.204 18356 5518 1 6 . 1 1 139 139 LEU H H 139 8.450 8.450 8.670 -0.220 18356 5519 1 6 . 1 1 140 140 GLN N N 140 123.500 123.500 124.806 -1.306 18356 5520 1 6 . 1 1 140 140 GLN HA H 140 5.350 5.350 5.266 0.084 18356 5521 1 6 . 1 1 140 140 GLN C C 140 174.900 174.900 175.322 -0.422 18356 5522 1 6 . 1 1 140 140 GLN CA C 140 55.800 55.800 53.906 1.894 18356 5523 1 6 . 1 1 140 140 GLN CB C 140 30.900 30.900 30.226 0.674 18356 5524 1 6 . 1 1 140 140 GLN H H 140 8.590 8.590 8.368 0.222 18356 5525 1 6 . 1 1 141 141 PHE N N 141 120.500 120.500 119.584 0.916 18356 5526 1 6 . 1 1 141 141 PHE HA H 141 4.870 4.870 4.875 -0.005 18356 5527 1 6 . 1 1 141 141 PHE C C 141 174.700 174.700 173.051 1.649 18356 5528 1 6 . 1 1 141 141 PHE CA C 141 57.300 57.300 56.475 0.825 18356 5529 1 6 . 1 1 141 141 PHE CB C 141 42.800 42.800 41.203 1.597 18356 5530 1 6 . 1 1 141 141 PHE H H 141 9.280 9.280 8.187 1.093 18356 5531 1 6 . 1 1 142 142 GLN N N 142 123.700 123.700 124.968 -1.268 18356 5532 1 6 . 1 1 142 142 GLN HA H 142 4.880 4.880 4.741 0.139 18356 5533 1 6 . 1 1 142 142 GLN C C 142 174.900 174.900 174.438 0.462 18356 5534 1 6 . 1 1 142 142 GLN CA C 142 55.500 55.500 54.723 0.777 18356 5535 1 6 . 1 1 142 142 GLN CB C 142 30.200 30.200 30.745 -0.545 18356 5536 1 6 . 1 1 142 142 GLN H H 142 9.080 9.080 8.611 0.469 18356 5537 1 6 . 1 1 143 143 VAL N N 143 120.900 120.900 121.391 -0.491 18356 5538 1 6 . 1 1 143 143 VAL HA H 143 4.600 4.600 4.714 -0.114 18356 5539 1 6 . 1 1 143 143 VAL C C 143 174.800 174.800 174.378 0.422 18356 5540 1 6 . 1 1 143 143 VAL CA C 143 60.900 60.900 60.107 0.793 18356 5541 1 6 . 1 1 143 143 VAL CB C 143 35.700 35.700 35.275 0.425 18356 5542 1 6 . 1 1 143 143 VAL H H 143 8.560 8.560 8.026 0.534 18356 5543 1 6 . 1 1 144 144 SER N N 144 120.500 120.500 115.178 5.322 18356 5544 1 6 . 1 1 144 144 SER HA H 144 4.740 4.740 4.824 -0.084 18356 5545 1 6 . 1 1 144 144 SER C C 144 173.200 173.200 173.153 0.047 18356 5546 1 6 . 1 1 144 144 SER CA C 144 58.200 58.200 58.227 -0.027 18356 5547 1 6 . 1 1 144 144 SER CB C 144 65.600 65.600 64.142 1.458 18356 5548 1 6 . 1 1 144 144 SER H H 144 9.640 9.640 8.740 0.900 18356 5549 1 6 . 1 1 145 145 ASP N N 145 118.600 118.600 119.247 -0.647 18356 5550 1 6 . 1 1 145 145 ASP HA H 145 4.700 4.700 4.749 -0.049 18356 5551 1 6 . 1 1 145 145 ASP C C 145 175.500 175.500 176.088 -0.588 18356 5552 1 6 . 1 1 145 145 ASP CA C 145 53.300 53.300 52.978 0.322 18356 5553 1 6 . 1 1 145 145 ASP CB C 145 44.100 44.100 42.988 1.112 18356 5554 1 6 . 1 1 145 145 ASP H H 145 7.760 7.760 7.850 -0.090 18356 5555 1 6 . 1 1 146 146 GLU N N 146 119.900 119.900 123.805 -3.905 18356 5556 1 6 . 1 1 146 146 GLU HA H 146 3.780 3.780 4.072 -0.292 18356 5557 1 6 . 1 1 146 146 GLU C C 146 177.800 177.800 177.669 0.131 18356 5558 1 6 . 1 1 146 146 GLU CA C 146 59.700 59.700 59.767 -0.068 18356 5559 1 6 . 1 1 146 146 GLU CB C 146 29.800 29.800 29.626 0.174 18356 5560 1 6 . 1 1 146 146 GLU H H 146 8.950 8.950 8.890 0.060 18356 5561 1 6 . 1 1 147 147 SER N N 147 116.700 116.700 114.511 2.189 18356 5562 1 6 . 1 1 147 147 SER HA H 147 4.190 4.190 4.260 -0.070 18356 5563 1 6 . 1 1 147 147 SER C C 147 176.600 176.600 176.421 0.179 18356 5564 1 6 . 1 1 147 147 SER CA C 147 61.500 61.500 61.152 0.348 18356 5565 1 6 . 1 1 147 147 SER CB C 147 60.100 60.100 63.060 -2.960 18356 5566 1 6 . 1 1 147 147 SER H H 147 8.660 8.660 8.496 0.164 18356 5567 1 6 . 1 1 148 148 GLU N N 148 120.300 120.300 121.088 -0.788 18356 5568 1 6 . 1 1 148 148 GLU HA H 148 4.160 4.160 4.145 0.015 18356 5569 1 6 . 1 1 148 148 GLU C C 148 176.200 176.200 176.706 -0.506 18356 5570 1 6 . 1 1 148 148 GLU CA C 148 57.600 57.600 57.625 -0.025 18356 5571 1 6 . 1 1 148 148 GLU CB C 148 30.900 30.900 29.192 1.708 18356 5572 1 6 . 1 1 148 148 GLU H H 148 7.940 7.940 7.583 0.357 18356 5573 1 6 . 1 1 149 149 MET N N 149 116.000 116.000 116.821 -0.821 18356 5574 1 6 . 1 1 149 149 MET HA H 149 4.530 4.530 4.551 -0.021 18356 5575 1 6 . 1 1 149 149 MET C C 149 173.000 173.000 175.840 -2.840 18356 5576 1 6 . 1 1 149 149 MET CA C 149 53.400 53.400 55.396 -1.996 18356 5577 1 6 . 1 1 149 149 MET CB C 149 32.900 32.900 33.272 -0.372 18356 5578 1 6 . 1 1 149 149 MET H H 149 7.500 7.500 7.511 -0.011 18356 5579 1 6 . 1 1 150 150 SER N N 150 112.400 112.400 115.661 -3.261 18356 5580 1 6 . 1 1 150 150 SER HA H 150 4.710 4.710 4.535 0.175 18356 5581 1 6 . 1 1 150 150 SER C C 150 174.100 174.100 175.115 -1.015 18356 5582 1 6 . 1 1 150 150 SER CA C 150 56.900 56.900 56.559 0.341 18356 5583 1 6 . 1 1 150 150 SER CB C 150 65.300 65.300 64.320 0.980 18356 5584 1 6 . 1 1 150 150 SER H H 150 7.100 7.100 7.550 -0.450 18356 5585 1 6 . 1 1 151 151 HIS N N 151 125.700 125.700 121.764 3.936 18356 5586 1 6 . 1 1 151 151 HIS HA H 151 4.670 4.670 3.993 0.677 18356 5587 1 6 . 1 1 151 151 HIS C C 151 175.900 175.900 176.965 -1.065 18356 5588 1 6 . 1 1 151 151 HIS CA C 151 62.300 62.300 58.454 3.846 18356 5589 1 6 . 1 1 151 151 HIS CB C 151 31.900 31.900 28.876 3.024 18356 5590 1 6 . 1 1 151 151 HIS H H 151 9.510 9.510 8.578 0.932 18356 5591 1 6 . 1 1 152 152 LYS N N 152 115.700 115.700 121.228 -5.528 18356 5592 1 6 . 1 1 152 152 LYS HA H 152 3.690 3.690 3.813 -0.123 18356 5593 1 6 . 1 1 152 152 LYS C C 152 178.700 178.700 178.677 0.023 18356 5594 1 6 . 1 1 152 152 LYS CA C 152 59.200 59.200 59.225 -0.025 18356 5595 1 6 . 1 1 152 152 LYS CB C 152 32.700 32.700 31.329 1.371 18356 5596 1 6 . 1 1 152 152 LYS H H 152 8.380 8.380 7.882 0.498 18356 5597 1 6 . 1 1 153 153 GLU N N 153 117.400 117.400 119.147 -1.747 18356 5598 1 6 . 1 1 153 153 GLU HA H 153 4.070 4.070 4.199 -0.129 18356 5599 1 6 . 1 1 153 153 GLU C C 153 179.100 179.100 178.558 0.542 18356 5600 1 6 . 1 1 153 153 GLU CA C 153 58.500 58.500 57.346 1.154 18356 5601 1 6 . 1 1 153 153 GLU CB C 153 29.300 29.300 29.790 -0.490 18356 5602 1 6 . 1 1 153 153 GLU H H 153 7.360 7.360 7.909 -0.549 18356 5603 1 6 . 1 1 154 154 LEU N N 154 121.200 121.200 122.430 -1.230 18356 5604 1 6 . 1 1 154 154 LEU HA H 154 3.530 3.530 3.835 -0.305 18356 5605 1 6 . 1 1 154 154 LEU C C 154 178.300 178.300 177.811 0.489 18356 5606 1 6 . 1 1 154 154 LEU CA C 154 57.300 57.300 58.414 -1.114 18356 5607 1 6 . 1 1 154 154 LEU CB C 154 40.500 40.500 41.901 -1.401 18356 5608 1 6 . 1 1 154 154 LEU H H 154 7.730 7.730 7.623 0.107 18356 5609 1 6 . 1 1 155 155 LEU N N 155 118.500 118.500 115.362 3.138 18356 5610 1 6 . 1 1 155 155 LEU HA H 155 3.410 3.410 4.226 -0.816 18356 5611 1 6 . 1 1 155 155 LEU C C 155 179.900 179.900 178.420 1.480 18356 5612 1 6 . 1 1 155 155 LEU CA C 155 57.600 57.600 57.782 -0.182 18356 5613 1 6 . 1 1 155 155 LEU CB C 155 41.200 41.200 40.914 0.286 18356 5614 1 6 . 1 1 155 155 LEU H H 155 8.350 8.350 7.554 0.796 18356 5615 1 6 . 1 1 156 156 ASN N N 156 117.900 117.900 118.964 -1.064 18356 5616 1 6 . 1 1 156 156 ASN HA H 156 4.360 4.360 4.345 0.015 18356 5617 1 6 . 1 1 156 156 ASN C C 156 178.000 178.000 177.119 0.881 18356 5618 1 6 . 1 1 156 156 ASN CA C 156 56.300 56.300 56.279 0.021 18356 5619 1 6 . 1 1 156 156 ASN CB C 156 38.400 38.400 38.406 -0.006 18356 5620 1 6 . 1 1 156 156 ASN H H 156 7.750 7.750 7.669 0.081 18356 5621 1 6 . 1 1 157 157 LYS N N 157 119.800 119.800 119.828 -0.028 18356 5622 1 6 . 1 1 157 157 LYS HA H 157 4.080 4.080 3.986 0.094 18356 5623 1 6 . 1 1 157 157 LYS C C 157 179.800 179.800 178.652 1.148 18356 5624 1 6 . 1 1 157 157 LYS CA C 157 59.100 59.100 58.938 0.162 18356 5625 1 6 . 1 1 157 157 LYS CB C 157 32.500 32.500 31.456 1.044 18356 5626 1 6 . 1 1 157 157 LYS H H 157 7.770 7.770 7.980 -0.210 18356 5627 1 6 . 1 1 158 158 LEU N N 158 120.900 120.900 120.557 0.343 18356 5628 1 6 . 1 1 158 158 LEU HA H 158 3.950 3.950 3.970 -0.020 18356 5629 1 6 . 1 1 158 158 LEU C C 158 179.000 179.000 178.064 0.936 18356 5630 1 6 . 1 1 158 158 LEU CA C 158 57.800 57.800 57.234 0.566 18356 5631 1 6 . 1 1 158 158 LEU CB C 158 41.200 41.200 41.467 -0.267 18356 5632 1 6 . 1 1 158 158 LEU H H 158 8.200 8.200 7.380 0.820 18356 5633 1 6 . 1 1 159 159 GLY N N 159 106.500 106.500 104.687 1.813 18356 5634 1 6 . 1 1 159 159 GLY C C 159 176.300 176.300 175.639 0.661 18356 5635 1 6 . 1 1 159 159 GLY CA C 159 46.900 46.900 46.114 0.787 18356 5636 1 6 . 1 1 159 159 GLY H H 159 8.290 8.290 7.374 0.916 18356 5637 1 6 . 1 1 160 160 GLU N N 160 120.700 120.700 121.539 -0.839 18356 5638 1 6 . 1 1 160 160 GLU HA H 160 4.070 4.070 4.043 0.027 18356 5639 1 6 . 1 1 160 160 GLU C C 160 177.800 177.800 178.599 -0.799 18356 5640 1 6 . 1 1 160 160 GLU CA C 160 58.300 58.300 58.613 -0.313 18356 5641 1 6 . 1 1 160 160 GLU CB C 160 30.000 30.000 29.512 0.489 18356 5642 1 6 . 1 1 160 160 GLU H H 160 7.850 7.850 8.102 -0.252 18356 5643 1 6 . 1 1 161 161 LYS N N 161 118.100 118.100 117.323 0.777 18356 5644 1 6 . 1 1 161 161 LYS HA H 161 4.070 4.070 4.152 -0.082 18356 5645 1 6 . 1 1 161 161 LYS C C 161 177.600 177.600 177.813 -0.213 18356 5646 1 6 . 1 1 161 161 LYS CA C 161 57.800 57.800 58.080 -0.280 18356 5647 1 6 . 1 1 161 161 LYS CB C 161 33.200 33.200 32.525 0.675 18356 5648 1 6 . 1 1 161 161 LYS H H 161 7.660 7.660 7.800 -0.140 18356 5649 1 6 . 1 1 162 162 TYR N N 162 115.400 115.400 113.949 1.451 18356 5650 1 6 . 1 1 162 162 TYR HA H 162 4.750 4.750 4.701 0.049 18356 5651 1 6 . 1 1 162 162 TYR C C 162 176.000 176.000 175.793 0.207 18356 5652 1 6 . 1 1 162 162 TYR CA C 162 59.000 59.000 56.334 2.667 18356 5653 1 6 . 1 1 162 162 TYR CB C 162 39.800 39.800 39.046 0.754 18356 5654 1 6 . 1 1 162 162 TYR H H 162 8.090 8.090 7.608 0.482 18356 5655 1 6 . 1 1 163 163 GLY N N 163 109.000 109.000 108.235 0.765 18356 5656 1 6 . 1 1 163 163 GLY C C 163 173.500 173.500 174.662 -1.162 18356 5657 1 6 . 1 1 163 163 GLY CA C 163 45.500 45.500 44.107 1.393 18356 5658 1 6 . 1 1 163 163 GLY H H 163 8.090 8.090 7.053 1.037 18356 5659 1 6 . 1 1 164 164 ASP N N 164 120.100 120.100 119.626 0.474 18356 5660 1 6 . 1 1 164 164 ASP HA H 164 4.640 4.640 4.641 -0.001 18356 5661 1 6 . 1 1 164 164 ASP C C 164 175.300 175.300 175.726 -0.426 18356 5662 1 6 . 1 1 164 164 ASP CA C 164 54.600 54.600 55.312 -0.712 18356 5663 1 6 . 1 1 164 164 ASP CB C 164 41.700 41.700 40.992 0.708 18356 5664 1 6 . 1 1 164 164 ASP H H 164 8.320 8.320 8.362 -0.042 18356 5665 1 7 . 1 1 2 2 SER N N 2 115.100 115.100 118.348 -3.248 18356 5666 1 7 . 1 1 2 2 SER HA H 2 4.820 4.820 4.531 0.289 18356 5667 1 7 . 1 1 2 2 SER CA C 2 62.300 62.300 59.690 2.610 18356 5668 1 7 . 1 1 2 2 SER CB C 2 67.300 67.300 64.533 2.767 18356 5669 1 7 . 1 1 2 2 SER H H 2 8.350 8.350 8.942 -0.592 18356 5670 1 7 . 1 1 3 3 SER HA H 3 3.860 3.860 4.561 -0.701 18356 5671 1 7 . 1 1 3 3 SER CA C 3 55.800 55.800 58.643 -2.843 18356 5672 1 7 . 1 1 3 3 SER CB C 3 61.300 61.300 63.614 -2.314 18356 5673 1 7 . 1 1 4 4 GLY N N 4 110.700 110.700 109.064 1.636 18356 5674 1 7 . 1 1 4 4 GLY C C 4 173.400 173.400 174.619 -1.219 18356 5675 1 7 . 1 1 4 4 GLY CA C 4 45.100 45.100 45.482 -0.382 18356 5676 1 7 . 1 1 4 4 GLY H H 4 8.320 8.320 8.116 0.204 18356 5677 1 7 . 1 1 5 5 VAL N N 5 119.400 119.400 119.791 -0.391 18356 5678 1 7 . 1 1 5 5 VAL HA H 5 4.200 4.200 4.056 0.144 18356 5679 1 7 . 1 1 5 5 VAL C C 5 175.300 175.300 175.572 -0.272 18356 5680 1 7 . 1 1 5 5 VAL CA C 5 61.700 61.700 63.169 -1.469 18356 5681 1 7 . 1 1 5 5 VAL CB C 5 33.100 33.100 32.421 0.679 18356 5682 1 7 . 1 1 5 5 VAL H H 5 7.810 7.810 7.753 0.057 18356 5683 1 7 . 1 1 6 6 MET N N 6 124.000 124.000 128.139 -4.139 18356 5684 1 7 . 1 1 6 6 MET HA H 6 4.650 4.650 4.827 -0.177 18356 5685 1 7 . 1 1 6 6 MET C C 6 174.800 174.800 175.008 -0.208 18356 5686 1 7 . 1 1 6 6 MET CA C 6 54.200 54.200 54.449 -0.249 18356 5687 1 7 . 1 1 6 6 MET CB C 6 36.000 36.000 35.354 0.646 18356 5688 1 7 . 1 1 6 6 MET H H 6 8.180 8.180 8.973 -0.793 18356 5689 1 7 . 1 1 7 7 VAL N N 7 122.400 122.400 116.992 5.408 18356 5690 1 7 . 1 1 7 7 VAL HA H 7 4.090 4.090 4.448 -0.358 18356 5691 1 7 . 1 1 7 7 VAL C C 7 175.500 175.500 174.972 0.528 18356 5692 1 7 . 1 1 7 7 VAL CA C 7 62.300 62.300 60.139 2.161 18356 5693 1 7 . 1 1 7 7 VAL CB C 7 32.500 32.500 32.760 -0.260 18356 5694 1 7 . 1 1 7 7 VAL H H 7 8.790 8.790 8.221 0.569 18356 5695 1 7 . 1 1 8 8 ASP N N 8 131.400 131.400 126.929 4.471 18356 5696 1 7 . 1 1 8 8 ASP HA H 8 4.710 4.710 4.834 -0.124 18356 5697 1 7 . 1 1 8 8 ASP C C 8 175.800 175.800 177.196 -1.396 18356 5698 1 7 . 1 1 8 8 ASP CA C 8 53.900 53.900 52.432 1.468 18356 5699 1 7 . 1 1 8 8 ASP CB C 8 44.800 44.800 42.756 2.044 18356 5700 1 7 . 1 1 8 8 ASP H H 8 8.800 8.800 8.718 0.082 18356 5701 1 7 . 1 1 9 9 PRO HA H 9 4.480 4.480 4.215 0.265 18356 5702 1 7 . 1 1 9 9 PRO CA C 9 63.000 63.000 64.824 -1.824 18356 5703 1 7 . 1 1 10 10 ASP N N 10 116.700 116.700 118.770 -2.070 18356 5704 1 7 . 1 1 10 10 ASP HA H 10 4.780 4.780 4.406 0.374 18356 5705 1 7 . 1 1 10 10 ASP C C 10 179.100 179.100 178.614 0.486 18356 5706 1 7 . 1 1 10 10 ASP CA C 10 56.200 56.200 56.963 -0.763 18356 5707 1 7 . 1 1 10 10 ASP CB C 10 40.700 40.700 40.936 -0.236 18356 5708 1 7 . 1 1 10 10 ASP H H 10 9.060 9.060 8.232 0.828 18356 5709 1 7 . 1 1 11 11 VAL N N 11 122.600 122.600 120.474 2.126 18356 5710 1 7 . 1 1 11 11 VAL HA H 11 3.630 3.630 3.748 -0.118 18356 5711 1 7 . 1 1 11 11 VAL C C 11 176.900 176.900 178.219 -1.319 18356 5712 1 7 . 1 1 11 11 VAL CA C 11 67.400 67.400 66.156 1.244 18356 5713 1 7 . 1 1 11 11 VAL CB C 11 31.100 31.100 31.821 -0.721 18356 5714 1 7 . 1 1 11 11 VAL H H 11 8.510 8.510 7.608 0.902 18356 5715 1 7 . 1 1 12 12 GLN N N 12 117.400 117.400 117.690 -0.290 18356 5716 1 7 . 1 1 12 12 GLN HA H 12 4.030 4.030 4.220 -0.190 18356 5717 1 7 . 1 1 12 12 GLN C C 12 178.800 178.800 178.638 0.162 18356 5718 1 7 . 1 1 12 12 GLN CA C 12 59.800 59.800 58.725 1.075 18356 5719 1 7 . 1 1 12 12 GLN CB C 12 29.000 29.000 28.798 0.202 18356 5720 1 7 . 1 1 12 12 GLN H H 12 7.740 7.740 7.674 0.066 18356 5721 1 7 . 1 1 13 13 THR N N 13 113.600 113.600 116.404 -2.804 18356 5722 1 7 . 1 1 13 13 THR HA H 13 4.020 4.020 4.088 -0.068 18356 5723 1 7 . 1 1 13 13 THR C C 13 177.600 177.600 176.622 0.978 18356 5724 1 7 . 1 1 13 13 THR CA C 13 66.100 66.100 66.184 -0.084 18356 5725 1 7 . 1 1 13 13 THR CB C 13 68.400 68.400 68.851 -0.451 18356 5726 1 7 . 1 1 13 13 THR H H 13 7.910 7.910 7.433 0.477 18356 5727 1 7 . 1 1 14 14 SER N N 14 118.100 118.100 118.595 -0.495 18356 5728 1 7 . 1 1 14 14 SER HA H 14 4.330 4.330 4.050 0.280 18356 5729 1 7 . 1 1 14 14 SER C C 14 175.900 175.900 176.549 -0.649 18356 5730 1 7 . 1 1 14 14 SER CA C 14 63.400 63.400 61.630 1.770 18356 5731 1 7 . 1 1 14 14 SER CB C 14 62.300 62.300 62.622 -0.322 18356 5732 1 7 . 1 1 14 14 SER H H 14 8.630 8.630 8.394 0.236 18356 5733 1 7 . 1 1 15 15 PHE N N 15 122.400 122.400 120.573 1.827 18356 5734 1 7 . 1 1 15 15 PHE HA H 15 4.260 4.260 4.470 -0.210 18356 5735 1 7 . 1 1 15 15 PHE C C 15 178.900 178.900 177.556 1.344 18356 5736 1 7 . 1 1 15 15 PHE CA C 15 62.200 62.200 60.439 1.761 18356 5737 1 7 . 1 1 15 15 PHE CB C 15 40.000 40.000 38.175 1.825 18356 5738 1 7 . 1 1 15 15 PHE H H 15 8.280 8.280 7.850 0.430 18356 5739 1 7 . 1 1 16 16 GLN N N 16 121.400 121.400 119.432 1.968 18356 5740 1 7 . 1 1 16 16 GLN HA H 16 3.970 3.970 4.161 -0.191 18356 5741 1 7 . 1 1 16 16 GLN C C 16 177.600 177.600 178.276 -0.676 18356 5742 1 7 . 1 1 16 16 GLN CA C 16 59.400 59.400 58.830 0.570 18356 5743 1 7 . 1 1 16 16 GLN CB C 16 28.100 28.100 28.336 -0.236 18356 5744 1 7 . 1 1 16 16 GLN H H 16 8.600 8.600 7.652 0.948 18356 5745 1 7 . 1 1 17 17 LYS N N 17 117.000 117.000 118.594 -1.594 18356 5746 1 7 . 1 1 17 17 LYS HA H 17 4.180 4.180 4.202 -0.022 18356 5747 1 7 . 1 1 17 17 LYS C C 17 175.200 175.200 178.917 -3.717 18356 5748 1 7 . 1 1 17 17 LYS CA C 17 58.800 58.800 58.707 0.093 18356 5749 1 7 . 1 1 17 17 LYS CB C 17 33.300 33.300 31.974 1.326 18356 5750 1 7 . 1 1 17 17 LYS H H 17 7.440 7.440 7.561 -0.121 18356 5751 1 7 . 1 1 18 18 LEU N N 18 118.900 118.900 122.561 -3.661 18356 5752 1 7 . 1 1 18 18 LEU HA H 18 4.440 4.440 4.824 -0.384 18356 5753 1 7 . 1 1 18 18 LEU C C 18 173.600 173.600 178.614 -5.014 18356 5754 1 7 . 1 1 18 18 LEU CA C 18 57.200 57.200 57.356 -0.156 18356 5755 1 7 . 1 1 18 18 LEU CB C 18 44.200 44.200 42.370 1.830 18356 5756 1 7 . 1 1 18 18 LEU H H 18 7.510 7.510 7.669 -0.159 18356 5757 1 7 . 1 1 19 19 SER N N 19 110.200 110.200 115.088 -4.888 18356 5758 1 7 . 1 1 19 19 SER HA H 19 3.980 3.980 4.203 -0.223 18356 5759 1 7 . 1 1 19 19 SER C C 19 174.400 174.400 176.426 -2.026 18356 5760 1 7 . 1 1 19 19 SER CA C 19 59.500 59.500 62.350 -2.850 18356 5761 1 7 . 1 1 19 19 SER CB C 19 65.200 65.200 62.897 2.304 18356 5762 1 7 . 1 1 19 19 SER H H 19 7.860 7.860 8.375 -0.515 18356 5763 1 7 . 1 1 20 20 GLU N N 20 120.500 120.500 118.175 2.325 18356 5764 1 7 . 1 1 20 20 GLU HA H 20 4.530 4.530 4.455 0.075 18356 5765 1 7 . 1 1 20 20 GLU C C 20 176.100 176.100 177.175 -1.075 18356 5766 1 7 . 1 1 20 20 GLU CA C 20 55.400 55.400 56.414 -1.014 18356 5767 1 7 . 1 1 20 20 GLU CB C 20 31.700 31.700 30.681 1.019 18356 5768 1 7 . 1 1 20 20 GLU H H 20 7.990 7.990 7.606 0.384 18356 5769 1 7 . 1 1 21 21 GLY N N 21 107.000 107.000 108.849 -1.849 18356 5770 1 7 . 1 1 21 21 GLY C C 21 175.400 175.400 173.713 1.687 18356 5771 1 7 . 1 1 21 21 GLY CA C 21 46.800 46.800 45.306 1.494 18356 5772 1 7 . 1 1 21 21 GLY H H 21 8.480 8.480 7.751 0.729 18356 5773 1 7 . 1 1 22 22 ARG N N 22 124.100 124.100 125.332 -1.232 18356 5774 1 7 . 1 1 22 22 ARG HA H 22 4.130 4.130 4.748 -0.618 18356 5775 1 7 . 1 1 22 22 ARG C C 22 175.900 175.900 176.849 -0.949 18356 5776 1 7 . 1 1 22 22 ARG CA C 22 56.900 56.900 55.617 1.283 18356 5777 1 7 . 1 1 22 22 ARG CB C 22 29.900 29.900 29.690 0.210 18356 5778 1 7 . 1 1 22 22 ARG H H 22 8.680 8.680 8.613 0.067 18356 5779 1 7 . 1 1 23 23 LYS N N 23 117.800 117.800 118.873 -1.073 18356 5780 1 7 . 1 1 23 23 LYS HA H 23 3.950 3.950 4.251 -0.301 18356 5781 1 7 . 1 1 23 23 LYS C C 23 176.200 176.200 177.056 -0.856 18356 5782 1 7 . 1 1 23 23 LYS CA C 23 57.200 57.200 58.471 -1.271 18356 5783 1 7 . 1 1 23 23 LYS CB C 23 29.900 29.900 31.629 -1.729 18356 5784 1 7 . 1 1 23 23 LYS H H 23 8.130 8.130 8.137 -0.007 18356 5785 1 7 . 1 1 24 24 GLU N N 24 117.900 117.900 117.845 0.055 18356 5786 1 7 . 1 1 24 24 GLU HA H 24 3.910 3.910 4.241 -0.331 18356 5787 1 7 . 1 1 24 24 GLU C C 24 177.500 177.500 175.448 2.052 18356 5788 1 7 . 1 1 24 24 GLU CA C 24 58.500 58.500 56.533 1.967 18356 5789 1 7 . 1 1 24 24 GLU CB C 24 30.900 30.900 29.783 1.117 18356 5790 1 7 . 1 1 24 24 GLU H H 24 8.170 8.170 8.516 -0.346 18356 5791 1 7 . 1 1 25 25 TYR N N 25 113.100 113.100 120.445 -7.345 18356 5792 1 7 . 1 1 25 25 TYR HA H 25 4.530 4.530 4.635 -0.105 18356 5793 1 7 . 1 1 25 25 TYR C C 25 173.600 173.600 173.921 -0.321 18356 5794 1 7 . 1 1 25 25 TYR CA C 25 55.300 55.300 56.440 -1.140 18356 5795 1 7 . 1 1 25 25 TYR CB C 25 40.200 40.200 40.206 -0.006 18356 5796 1 7 . 1 1 25 25 TYR H H 25 6.950 6.950 7.582 -0.632 18356 5797 1 7 . 1 1 26 26 ARG N N 26 120.500 120.500 127.188 -6.688 18356 5798 1 7 . 1 1 26 26 ARG HA H 26 4.660 4.660 4.371 0.289 18356 5799 1 7 . 1 1 26 26 ARG C C 26 174.600 174.600 174.539 0.061 18356 5800 1 7 . 1 1 26 26 ARG CA C 26 54.000 54.000 55.009 -1.009 18356 5801 1 7 . 1 1 26 26 ARG CB C 26 31.500 31.500 31.700 -0.199 18356 5802 1 7 . 1 1 26 26 ARG H H 26 9.450 9.450 8.009 1.440 18356 5803 1 7 . 1 1 27 27 TYR N N 27 109.700 109.700 116.862 -7.162 18356 5804 1 7 . 1 1 27 27 TYR HA H 27 4.930 4.930 4.637 0.293 18356 5805 1 7 . 1 1 27 27 TYR C C 27 172.700 172.700 174.013 -1.313 18356 5806 1 7 . 1 1 27 27 TYR CA C 27 56.200 56.200 56.775 -0.575 18356 5807 1 7 . 1 1 27 27 TYR CB C 27 40.800 40.800 39.585 1.215 18356 5808 1 7 . 1 1 27 27 TYR H H 27 7.450 7.450 8.297 -0.847 18356 5809 1 7 . 1 1 28 28 ILE N N 28 117.400 117.400 120.694 -3.294 18356 5810 1 7 . 1 1 28 28 ILE HA H 28 4.780 4.780 4.300 0.480 18356 5811 1 7 . 1 1 28 28 ILE C C 28 174.400 174.400 174.227 0.173 18356 5812 1 7 . 1 1 28 28 ILE CA C 28 60.200 60.200 59.266 0.934 18356 5813 1 7 . 1 1 28 28 ILE CB C 28 43.300 43.300 42.970 0.330 18356 5814 1 7 . 1 1 28 28 ILE H H 28 8.750 8.750 8.369 0.381 18356 5815 1 7 . 1 1 29 29 ILE N N 29 125.100 125.100 120.534 4.566 18356 5816 1 7 . 1 1 29 29 ILE HA H 29 4.670 4.670 5.331 -0.661 18356 5817 1 7 . 1 1 29 29 ILE C C 29 174.600 174.600 174.115 0.485 18356 5818 1 7 . 1 1 29 29 ILE CA C 29 60.800 60.800 59.561 1.239 18356 5819 1 7 . 1 1 29 29 ILE CB C 29 40.500 40.500 39.119 1.381 18356 5820 1 7 . 1 1 29 29 ILE H H 29 9.180 9.180 7.793 1.387 18356 5821 1 7 . 1 1 30 30 PHE N N 30 126.100 126.100 127.233 -1.133 18356 5822 1 7 . 1 1 30 30 PHE HA H 30 5.760 5.760 5.677 0.083 18356 5823 1 7 . 1 1 30 30 PHE C C 30 174.100 174.100 175.155 -1.055 18356 5824 1 7 . 1 1 30 30 PHE CA C 30 55.900 55.900 56.926 -1.026 18356 5825 1 7 . 1 1 30 30 PHE CB C 30 42.300 42.300 42.312 -0.012 18356 5826 1 7 . 1 1 30 30 PHE H H 30 9.650 9.650 9.497 0.153 18356 5827 1 7 . 1 1 31 31 LYS N N 31 118.900 118.900 119.338 -0.438 18356 5828 1 7 . 1 1 31 31 LYS HA H 31 5.320 5.320 5.068 0.252 18356 5829 1 7 . 1 1 31 31 LYS C C 31 173.000 173.000 174.885 -1.885 18356 5830 1 7 . 1 1 31 31 LYS CA C 31 53.800 53.800 54.194 -0.394 18356 5831 1 7 . 1 1 31 31 LYS CB C 31 38.100 38.100 35.988 2.112 18356 5832 1 7 . 1 1 31 31 LYS H H 31 8.990 8.990 9.197 -0.207 18356 5833 1 7 . 1 1 32 32 ILE N N 32 120.500 120.500 120.852 -0.352 18356 5834 1 7 . 1 1 32 32 ILE HA H 32 4.780 4.780 4.377 0.403 18356 5835 1 7 . 1 1 32 32 ILE C C 32 175.200 175.200 174.569 0.631 18356 5836 1 7 . 1 1 32 32 ILE CA C 32 60.700 60.700 60.917 -0.217 18356 5837 1 7 . 1 1 32 32 ILE CB C 32 41.300 41.300 40.034 1.266 18356 5838 1 7 . 1 1 32 32 ILE H H 32 8.420 8.420 8.012 0.408 18356 5839 1 7 . 1 1 33 33 ASP N N 33 130.100 130.100 125.851 4.249 18356 5840 1 7 . 1 1 33 33 ASP HA H 33 4.880 4.880 4.919 -0.039 18356 5841 1 7 . 1 1 33 33 ASP C C 33 175.300 175.300 176.200 -0.900 18356 5842 1 7 . 1 1 33 33 ASP CA C 33 53.500 53.500 52.597 0.903 18356 5843 1 7 . 1 1 33 33 ASP CB C 33 44.500 44.500 44.327 0.173 18356 5844 1 7 . 1 1 33 33 ASP H H 33 9.270 9.270 8.563 0.707 18356 5845 1 7 . 1 1 34 34 GLU N N 34 123.600 123.600 122.930 0.670 18356 5846 1 7 . 1 1 34 34 GLU HA H 34 3.730 3.730 4.328 -0.598 18356 5847 1 7 . 1 1 34 34 GLU C C 34 175.000 175.000 177.506 -2.506 18356 5848 1 7 . 1 1 34 34 GLU CA C 34 58.200 58.200 57.756 0.444 18356 5849 1 7 . 1 1 34 34 GLU CB C 34 27.500 27.500 29.995 -2.495 18356 5850 1 7 . 1 1 34 34 GLU H H 34 9.040 9.040 8.729 0.311 18356 5851 1 7 . 1 1 35 35 ASN N N 35 114.200 114.200 118.080 -3.880 18356 5852 1 7 . 1 1 35 35 ASN HA H 35 4.380 4.380 4.617 -0.237 18356 5853 1 7 . 1 1 35 35 ASN C C 35 173.500 173.500 174.423 -0.923 18356 5854 1 7 . 1 1 35 35 ASN CA C 35 53.700 53.700 54.770 -1.070 18356 5855 1 7 . 1 1 35 35 ASN CB C 35 38.500 38.500 39.407 -0.907 18356 5856 1 7 . 1 1 35 35 ASN H H 35 8.570 8.570 9.063 -0.493 18356 5857 1 7 . 1 1 36 36 LYS N N 36 118.400 118.400 118.873 -0.473 18356 5858 1 7 . 1 1 36 36 LYS HA H 36 5.340 5.340 4.548 0.792 18356 5859 1 7 . 1 1 36 36 LYS C C 36 174.900 174.900 175.512 -0.612 18356 5860 1 7 . 1 1 36 36 LYS CA C 36 54.500 54.500 54.540 -0.040 18356 5861 1 7 . 1 1 36 36 LYS CB C 36 36.100 36.100 35.260 0.840 18356 5862 1 7 . 1 1 36 36 LYS H H 36 7.750 7.750 7.774 -0.024 18356 5863 1 7 . 1 1 37 37 VAL N N 37 122.900 122.900 121.542 1.358 18356 5864 1 7 . 1 1 37 37 VAL HA H 37 4.550 4.550 4.315 0.235 18356 5865 1 7 . 1 1 37 37 VAL C C 37 174.600 174.600 174.190 0.410 18356 5866 1 7 . 1 1 37 37 VAL CA C 37 62.000 62.000 62.120 -0.120 18356 5867 1 7 . 1 1 37 37 VAL CB C 37 32.300 32.300 30.509 1.791 18356 5868 1 7 . 1 1 37 37 VAL H H 37 8.790 8.790 8.824 -0.034 18356 5869 1 7 . 1 1 38 38 ILE N N 38 119.600 119.600 122.273 -2.673 18356 5870 1 7 . 1 1 38 38 ILE HA H 38 4.880 4.880 5.268 -0.388 18356 5871 1 7 . 1 1 38 38 ILE C C 38 176.200 176.200 175.474 0.726 18356 5872 1 7 . 1 1 38 38 ILE CA C 38 59.300 59.300 58.726 0.574 18356 5873 1 7 . 1 1 38 38 ILE CB C 38 42.800 42.800 42.628 0.172 18356 5874 1 7 . 1 1 38 38 ILE H H 38 9.230 9.230 8.134 1.096 18356 5875 1 7 . 1 1 39 39 VAL N N 39 121.300 121.300 126.666 -5.366 18356 5876 1 7 . 1 1 39 39 VAL HA H 39 3.850 3.850 4.542 -0.692 18356 5877 1 7 . 1 1 39 39 VAL C C 39 175.300 175.300 175.093 0.207 18356 5878 1 7 . 1 1 39 39 VAL CA C 39 63.900 63.900 61.514 2.386 18356 5879 1 7 . 1 1 39 39 VAL CB C 39 32.100 32.100 32.813 -0.713 18356 5880 1 7 . 1 1 39 39 VAL H H 39 9.070 9.070 8.223 0.847 18356 5881 1 7 . 1 1 40 40 GLU N N 40 131.200 131.200 127.721 3.479 18356 5882 1 7 . 1 1 40 40 GLU HA H 40 4.270 4.270 4.845 -0.575 18356 5883 1 7 . 1 1 40 40 GLU C C 40 176.000 176.000 174.256 1.744 18356 5884 1 7 . 1 1 40 40 GLU CA C 40 57.200 57.200 53.582 3.618 18356 5885 1 7 . 1 1 40 40 GLU CB C 40 32.300 32.300 33.141 -0.841 18356 5886 1 7 . 1 1 40 40 GLU H H 40 9.230 9.230 8.437 0.793 18356 5887 1 7 . 1 1 41 41 ALA N N 41 118.100 118.100 123.222 -5.122 18356 5888 1 7 . 1 1 41 41 ALA HA H 41 4.440 4.440 4.172 0.268 18356 5889 1 7 . 1 1 41 41 ALA C C 41 173.300 173.300 176.399 -3.099 18356 5890 1 7 . 1 1 41 41 ALA CA C 41 52.000 52.000 50.795 1.204 18356 5891 1 7 . 1 1 41 41 ALA CB C 41 21.800 21.800 18.961 2.839 18356 5892 1 7 . 1 1 41 41 ALA H H 41 7.670 7.670 8.371 -0.701 18356 5893 1 7 . 1 1 42 42 ALA N N 42 127.600 127.600 128.099 -0.499 18356 5894 1 7 . 1 1 42 42 ALA HA H 42 4.520 4.520 4.751 -0.231 18356 5895 1 7 . 1 1 42 42 ALA C C 42 174.900 174.900 175.800 -0.900 18356 5896 1 7 . 1 1 42 42 ALA CA C 42 51.700 51.700 50.394 1.306 18356 5897 1 7 . 1 1 42 42 ALA CB C 42 19.100 19.100 21.567 -2.467 18356 5898 1 7 . 1 1 42 42 ALA H H 42 8.480 8.480 8.748 -0.268 18356 5899 1 7 . 1 1 43 43 VAL N N 43 124.900 124.900 117.940 6.960 18356 5900 1 7 . 1 1 43 43 VAL HA H 43 4.350 4.350 4.321 0.029 18356 5901 1 7 . 1 1 43 43 VAL C C 43 176.100 176.100 175.538 0.562 18356 5902 1 7 . 1 1 43 43 VAL CA C 43 62.100 62.100 60.931 1.169 18356 5903 1 7 . 1 1 43 43 VAL CB C 43 34.300 34.300 32.886 1.414 18356 5904 1 7 . 1 1 43 43 VAL H H 43 7.820 7.820 8.102 -0.282 18356 5905 1 7 . 1 1 44 44 THR N N 44 119.400 119.400 115.514 3.886 18356 5906 1 7 . 1 1 44 44 THR HA H 44 4.800 4.800 4.442 0.358 18356 5907 1 7 . 1 1 44 44 THR C C 44 174.300 174.300 175.584 -1.284 18356 5908 1 7 . 1 1 44 44 THR CA C 44 60.300 60.300 60.674 -0.374 18356 5909 1 7 . 1 1 44 44 THR CB C 44 71.200 71.200 70.360 0.840 18356 5910 1 7 . 1 1 44 44 THR H H 44 8.670 8.670 7.912 0.758 18356 5911 1 7 . 1 1 45 45 GLN N N 45 119.800 119.800 118.823 0.977 18356 5912 1 7 . 1 1 45 45 GLN HA H 45 4.010 4.010 4.191 -0.181 18356 5913 1 7 . 1 1 45 45 GLN C C 45 179.600 179.600 177.843 1.757 18356 5914 1 7 . 1 1 45 45 GLN CA C 45 59.000 59.000 57.855 1.145 18356 5915 1 7 . 1 1 45 45 GLN CB C 45 27.600 27.600 28.674 -1.075 18356 5916 1 7 . 1 1 45 45 GLN H H 45 8.660 8.660 8.894 -0.234 18356 5917 1 7 . 1 1 46 46 ASP N N 46 117.300 117.300 120.474 -3.174 18356 5918 1 7 . 1 1 46 46 ASP HA H 46 4.390 4.390 4.246 0.144 18356 5919 1 7 . 1 1 46 46 ASP C C 46 178.900 178.900 177.654 1.246 18356 5920 1 7 . 1 1 46 46 ASP CA C 46 57.100 57.100 57.400 -0.300 18356 5921 1 7 . 1 1 46 46 ASP CB C 46 40.800 40.800 39.689 1.111 18356 5922 1 7 . 1 1 46 46 ASP H H 46 8.430 8.430 8.183 0.247 18356 5923 1 7 . 1 1 47 47 GLN N N 47 118.900 118.900 117.576 1.324 18356 5924 1 7 . 1 1 47 47 GLN HA H 47 4.030 4.030 4.100 -0.070 18356 5925 1 7 . 1 1 47 47 GLN C C 47 178.000 178.000 177.204 0.796 18356 5926 1 7 . 1 1 47 47 GLN CA C 47 57.800 57.800 57.634 0.166 18356 5927 1 7 . 1 1 47 47 GLN CB C 47 29.100 29.100 28.085 1.015 18356 5928 1 7 . 1 1 47 47 GLN H H 47 7.830 7.830 7.980 -0.150 18356 5929 1 7 . 1 1 48 48 LEU N N 48 118.100 118.100 118.611 -0.511 18356 5930 1 7 . 1 1 48 48 LEU HA H 48 4.180 4.180 4.352 -0.172 18356 5931 1 7 . 1 1 48 48 LEU C C 48 177.600 177.600 177.154 0.446 18356 5932 1 7 . 1 1 48 48 LEU CA C 48 56.300 56.300 54.908 1.392 18356 5933 1 7 . 1 1 48 48 LEU CB C 48 43.100 43.100 42.129 0.971 18356 5934 1 7 . 1 1 48 48 LEU H H 48 7.560 7.560 7.884 -0.324 18356 5935 1 7 . 1 1 49 49 GLY N N 49 105.600 105.600 108.054 -2.454 18356 5936 1 7 . 1 1 49 49 GLY C C 49 174.700 174.700 173.614 1.086 18356 5937 1 7 . 1 1 49 49 GLY CA C 49 47.000 47.000 45.852 1.148 18356 5938 1 7 . 1 1 49 49 GLY H H 49 7.570 7.570 7.958 -0.388 18356 5939 1 7 . 1 1 50 50 ILE N N 50 117.700 117.700 123.800 -6.100 18356 5940 1 7 . 1 1 50 50 ILE HA H 50 4.340 4.340 4.360 -0.020 18356 5941 1 7 . 1 1 50 50 ILE C C 50 176.500 176.500 175.592 0.908 18356 5942 1 7 . 1 1 50 50 ILE CA C 50 59.900 59.900 60.191 -0.291 18356 5943 1 7 . 1 1 50 50 ILE CB C 50 38.900 38.900 37.988 0.912 18356 5944 1 7 . 1 1 50 50 ILE H H 50 7.940 7.940 7.909 0.031 18356 5945 1 7 . 1 1 51 51 THR N N 51 117.500 117.500 122.155 -4.655 18356 5946 1 7 . 1 1 51 51 THR HA H 51 4.420 4.420 4.019 0.401 18356 5947 1 7 . 1 1 51 51 THR C C 51 174.900 174.900 175.594 -0.694 18356 5948 1 7 . 1 1 51 51 THR CA C 51 61.700 61.700 66.149 -4.449 18356 5949 1 7 . 1 1 51 51 THR CB C 51 69.900 69.900 69.075 0.825 18356 5950 1 7 . 1 1 51 51 THR H H 51 8.480 8.480 8.769 -0.289 18356 5951 1 7 . 1 1 52 52 GLY N N 52 111.200 111.200 107.329 3.871 18356 5952 1 7 . 1 1 52 52 GLY C C 52 172.700 172.700 172.580 0.120 18356 5953 1 7 . 1 1 52 52 GLY CA C 52 44.600 44.600 45.304 -0.704 18356 5954 1 7 . 1 1 52 52 GLY H H 52 8.080 8.080 7.870 0.210 18356 5955 1 7 . 1 1 53 53 ASP N N 53 120.800 120.800 121.795 -0.995 18356 5956 1 7 . 1 1 53 53 ASP HA H 53 4.660 4.660 4.265 0.395 18356 5957 1 7 . 1 1 53 53 ASP C C 53 177.800 177.800 174.909 2.891 18356 5958 1 7 . 1 1 53 53 ASP CA C 53 53.900 53.900 54.667 -0.767 18356 5959 1 7 . 1 1 53 53 ASP CB C 53 42.700 42.700 39.907 2.793 18356 5960 1 7 . 1 1 53 53 ASP H H 53 8.490 8.490 8.383 0.107 18356 5961 1 7 . 1 1 54 54 ASP N N 54 124.100 124.100 120.904 3.196 18356 5962 1 7 . 1 1 54 54 ASP HA H 54 4.630 4.630 4.522 0.108 18356 5963 1 7 . 1 1 54 54 ASP C C 54 177.100 177.100 176.289 0.811 18356 5964 1 7 . 1 1 54 54 ASP CA C 54 56.600 56.600 55.064 1.536 18356 5965 1 7 . 1 1 54 54 ASP CB C 54 42.800 42.800 43.015 -0.215 18356 5966 1 7 . 1 1 54 54 ASP H H 54 8.500 8.500 8.013 0.487 18356 5967 1 7 . 1 1 55 55 TYR N N 55 114.900 114.900 118.493 -3.593 18356 5968 1 7 . 1 1 55 55 TYR HA H 55 4.560 4.560 4.396 0.164 18356 5969 1 7 . 1 1 55 55 TYR C C 55 178.900 178.900 177.098 1.802 18356 5970 1 7 . 1 1 55 55 TYR CA C 55 62.400 62.400 59.655 2.745 18356 5971 1 7 . 1 1 55 55 TYR CB C 55 37.300 37.300 36.902 0.398 18356 5972 1 7 . 1 1 55 55 TYR H H 55 8.350 8.350 7.958 0.392 18356 5973 1 7 . 1 1 56 56 ASP N N 56 119.600 119.600 119.881 -0.281 18356 5974 1 7 . 1 1 56 56 ASP HA H 56 4.560 4.560 4.280 0.280 18356 5975 1 7 . 1 1 56 56 ASP C C 56 177.300 177.300 176.706 0.594 18356 5976 1 7 . 1 1 56 56 ASP CA C 56 57.200 57.200 56.739 0.461 18356 5977 1 7 . 1 1 56 56 ASP CB C 56 40.600 40.600 40.148 0.452 18356 5978 1 7 . 1 1 56 56 ASP H H 56 8.320 8.320 7.990 0.330 18356 5979 1 7 . 1 1 57 57 ASP N N 57 116.600 116.600 118.405 -1.805 18356 5980 1 7 . 1 1 57 57 ASP HA H 57 4.940 4.940 4.627 0.313 18356 5981 1 7 . 1 1 57 57 ASP C C 57 178.100 178.100 177.406 0.694 18356 5982 1 7 . 1 1 57 57 ASP CA C 57 52.400 52.400 55.381 -2.981 18356 5983 1 7 . 1 1 57 57 ASP CB C 57 41.100 41.100 41.999 -0.899 18356 5984 1 7 . 1 1 57 57 ASP H H 57 7.740 7.740 7.362 0.378 18356 5985 1 7 . 1 1 58 58 SER N N 58 117.600 117.600 114.272 3.328 18356 5986 1 7 . 1 1 58 58 SER HA H 58 4.800 4.800 4.693 0.107 18356 5987 1 7 . 1 1 58 58 SER C C 58 174.600 174.600 174.974 -0.374 18356 5988 1 7 . 1 1 58 58 SER CA C 58 60.200 60.200 58.277 1.923 18356 5989 1 7 . 1 1 58 58 SER CB C 58 63.000 63.000 64.328 -1.327 18356 5990 1 7 . 1 1 58 58 SER H H 58 8.130 8.130 7.832 0.298 18356 5991 1 7 . 1 1 59 59 SER N N 59 105.400 105.400 117.424 -12.024 18356 5992 1 7 . 1 1 59 59 SER HA H 59 4.580 4.580 4.008 0.572 18356 5993 1 7 . 1 1 59 59 SER C C 59 173.200 173.200 175.620 -2.420 18356 5994 1 7 . 1 1 59 59 SER CA C 59 60.500 60.500 61.092 -0.592 18356 5995 1 7 . 1 1 59 59 SER CB C 59 66.100 66.100 61.873 4.227 18356 5996 1 7 . 1 1 59 59 SER H H 59 9.010 9.010 7.956 1.054 18356 5997 1 7 . 1 1 60 60 LYS N N 60 123.100 123.100 122.004 1.096 18356 5998 1 7 . 1 1 60 60 LYS HA H 60 4.080 4.080 4.407 -0.327 18356 5999 1 7 . 1 1 60 60 LYS C C 60 176.500 176.500 177.837 -1.337 18356 6000 1 7 . 1 1 60 60 LYS CA C 60 61.000 61.000 58.636 2.364 18356 6001 1 7 . 1 1 60 60 LYS CB C 60 32.800 32.800 32.219 0.581 18356 6002 1 7 . 1 1 60 60 LYS H H 60 7.450 7.450 8.432 -0.982 18356 6003 1 7 . 1 1 61 61 ALA N N 61 120.700 120.700 120.763 -0.063 18356 6004 1 7 . 1 1 61 61 ALA HA H 61 4.130 4.130 4.133 -0.003 18356 6005 1 7 . 1 1 61 61 ALA C C 61 181.800 181.800 179.118 2.682 18356 6006 1 7 . 1 1 61 61 ALA CA C 61 55.500 55.500 54.869 0.631 18356 6007 1 7 . 1 1 61 61 ALA CB C 61 17.900 17.900 17.731 0.169 18356 6008 1 7 . 1 1 61 61 ALA H H 61 8.800 8.800 8.461 0.339 18356 6009 1 7 . 1 1 62 62 ALA N N 62 119.900 119.900 120.280 -0.380 18356 6010 1 7 . 1 1 62 62 ALA HA H 62 4.040 4.040 3.716 0.324 18356 6011 1 7 . 1 1 62 62 ALA C C 62 178.600 178.600 178.854 -0.254 18356 6012 1 7 . 1 1 62 62 ALA CA C 62 55.400 55.400 54.052 1.348 18356 6013 1 7 . 1 1 62 62 ALA CB C 62 19.700 19.700 18.076 1.624 18356 6014 1 7 . 1 1 62 62 ALA H H 62 8.760 8.760 7.329 1.431 18356 6015 1 7 . 1 1 63 63 PHE N N 63 120.400 120.400 117.059 3.341 18356 6016 1 7 . 1 1 63 63 PHE HA H 63 3.660 3.660 4.480 -0.820 18356 6017 1 7 . 1 1 63 63 PHE C C 63 177.300 177.300 177.832 -0.532 18356 6018 1 7 . 1 1 63 63 PHE CA C 63 62.200 62.200 60.069 2.131 18356 6019 1 7 . 1 1 63 63 PHE CB C 63 39.600 39.600 38.323 1.277 18356 6020 1 7 . 1 1 63 63 PHE H H 63 9.380 9.380 7.303 2.077 18356 6021 1 7 . 1 1 64 64 ASP N N 64 119.700 119.700 120.142 -0.442 18356 6022 1 7 . 1 1 64 64 ASP HA H 64 4.410 4.410 4.446 -0.036 18356 6023 1 7 . 1 1 64 64 ASP C C 64 180.200 180.200 178.703 1.497 18356 6024 1 7 . 1 1 64 64 ASP CA C 64 57.700 57.700 57.802 -0.102 18356 6025 1 7 . 1 1 64 64 ASP CB C 64 39.600 39.600 40.567 -0.967 18356 6026 1 7 . 1 1 64 64 ASP H H 64 9.180 9.180 8.724 0.456 18356 6027 1 7 . 1 1 65 65 LYS N N 65 119.800 119.800 119.632 0.168 18356 6028 1 7 . 1 1 65 65 LYS HA H 65 4.080 4.080 4.223 -0.143 18356 6029 1 7 . 1 1 65 65 LYS C C 65 179.100 179.100 178.711 0.389 18356 6030 1 7 . 1 1 65 65 LYS CA C 65 59.600 59.600 58.297 1.302 18356 6031 1 7 . 1 1 65 65 LYS CB C 65 32.500 32.500 31.610 0.890 18356 6032 1 7 . 1 1 65 65 LYS H H 65 7.420 7.420 7.674 -0.254 18356 6033 1 7 . 1 1 66 66 PHE N N 66 123.400 123.400 120.527 2.873 18356 6034 1 7 . 1 1 66 66 PHE HA H 66 4.340 4.340 4.419 -0.079 18356 6035 1 7 . 1 1 66 66 PHE C C 66 175.900 175.900 178.082 -2.182 18356 6036 1 7 . 1 1 66 66 PHE CA C 66 59.900 59.900 59.981 -0.081 18356 6037 1 7 . 1 1 66 66 PHE CB C 66 38.300 38.300 38.348 -0.048 18356 6038 1 7 . 1 1 66 66 PHE H H 66 8.000 8.000 7.686 0.314 18356 6039 1 7 . 1 1 67 67 VAL N N 67 120.200 120.200 117.685 2.515 18356 6040 1 7 . 1 1 67 67 VAL HA H 67 2.600 2.600 3.872 -1.272 18356 6041 1 7 . 1 1 67 67 VAL C C 67 177.700 177.700 177.099 0.601 18356 6042 1 7 . 1 1 67 67 VAL CA C 67 67.100 67.100 64.482 2.618 18356 6043 1 7 . 1 1 67 67 VAL CB C 67 31.700 31.700 32.180 -0.480 18356 6044 1 7 . 1 1 67 67 VAL H H 67 8.500 8.500 7.857 0.643 18356 6045 1 7 . 1 1 68 68 GLU N N 68 118.300 118.300 119.719 -1.419 18356 6046 1 7 . 1 1 68 68 GLU HA H 68 3.800 3.800 4.074 -0.274 18356 6047 1 7 . 1 1 68 68 GLU C C 68 178.800 178.800 178.563 0.237 18356 6048 1 7 . 1 1 68 68 GLU CA C 68 59.500 59.500 59.013 0.487 18356 6049 1 7 . 1 1 68 68 GLU CB C 68 29.400 29.400 29.294 0.106 18356 6050 1 7 . 1 1 68 68 GLU H H 68 7.510 7.510 7.621 -0.111 18356 6051 1 7 . 1 1 69 69 ASP N N 69 121.400 121.400 119.454 1.946 18356 6052 1 7 . 1 1 69 69 ASP HA H 69 4.360 4.360 4.464 -0.104 18356 6053 1 7 . 1 1 69 69 ASP C C 69 178.100 178.100 178.764 -0.664 18356 6054 1 7 . 1 1 69 69 ASP CA C 69 56.500 56.500 56.948 -0.448 18356 6055 1 7 . 1 1 69 69 ASP CB C 69 40.900 40.900 40.211 0.689 18356 6056 1 7 . 1 1 69 69 ASP H H 69 7.750 7.750 8.289 -0.539 18356 6057 1 7 . 1 1 70 70 VAL N N 70 117.600 117.600 119.552 -1.952 18356 6058 1 7 . 1 1 70 70 VAL HA H 70 3.050 3.050 3.604 -0.554 18356 6059 1 7 . 1 1 70 70 VAL C C 70 179.900 179.900 177.955 1.945 18356 6060 1 7 . 1 1 70 70 VAL CA C 70 67.500 67.500 66.187 1.313 18356 6061 1 7 . 1 1 70 70 VAL CB C 70 32.400 32.400 31.369 1.031 18356 6062 1 7 . 1 1 70 70 VAL H H 70 8.230 8.230 7.546 0.684 18356 6063 1 7 . 1 1 71 71 LYS N N 71 120.900 120.900 119.282 1.618 18356 6064 1 7 . 1 1 71 71 LYS HA H 71 3.450 3.450 4.007 -0.557 18356 6065 1 7 . 1 1 71 71 LYS C C 71 177.700 177.700 178.542 -0.842 18356 6066 1 7 . 1 1 71 71 LYS CA C 71 61.900 61.900 59.224 2.676 18356 6067 1 7 . 1 1 71 71 LYS CB C 71 32.400 32.400 31.363 1.036 18356 6068 1 7 . 1 1 71 71 LYS H H 71 8.900 8.900 7.764 1.136 18356 6069 1 7 . 1 1 72 72 SER N N 72 114.200 114.200 116.492 -2.292 18356 6070 1 7 . 1 1 72 72 SER HA H 72 4.340 4.340 4.326 0.014 18356 6071 1 7 . 1 1 72 72 SER C C 72 178.300 178.300 176.762 1.538 18356 6072 1 7 . 1 1 72 72 SER CA C 72 61.500 61.500 60.899 0.601 18356 6073 1 7 . 1 1 72 72 SER CB C 72 63.000 63.000 62.771 0.229 18356 6074 1 7 . 1 1 72 72 SER H H 72 8.000 8.000 8.394 -0.394 18356 6075 1 7 . 1 1 73 73 ARG N N 73 119.700 119.700 121.073 -1.373 18356 6076 1 7 . 1 1 73 73 ARG HA H 73 4.160 4.160 4.056 0.104 18356 6077 1 7 . 1 1 73 73 ARG C C 73 177.000 177.000 176.582 0.418 18356 6078 1 7 . 1 1 73 73 ARG CA C 73 58.700 58.700 59.476 -0.776 18356 6079 1 7 . 1 1 73 73 ARG CB C 73 30.300 30.300 30.560 -0.260 18356 6080 1 7 . 1 1 73 73 ARG H H 73 8.430 8.430 7.547 0.883 18356 6081 1 7 . 1 1 74 74 THR N N 74 103.500 103.500 109.036 -5.536 18356 6082 1 7 . 1 1 74 74 THR HA H 74 4.210 4.210 4.554 -0.344 18356 6083 1 7 . 1 1 74 74 THR C C 74 173.500 173.500 173.631 -0.131 18356 6084 1 7 . 1 1 74 74 THR CA C 74 60.300 60.300 61.748 -1.448 18356 6085 1 7 . 1 1 74 74 THR CB C 74 70.100 70.100 68.855 1.245 18356 6086 1 7 . 1 1 74 74 THR H H 74 7.400 7.400 7.529 -0.129 18356 6087 1 7 . 1 1 75 75 ASP N N 75 121.300 121.300 122.808 -1.508 18356 6088 1 7 . 1 1 75 75 ASP HA H 75 4.280 4.280 4.468 -0.188 18356 6089 1 7 . 1 1 75 75 ASP C C 75 176.500 176.500 176.884 -0.384 18356 6090 1 7 . 1 1 75 75 ASP CA C 75 55.300 55.300 56.681 -1.381 18356 6091 1 7 . 1 1 75 75 ASP CB C 75 38.400 38.400 41.501 -3.100 18356 6092 1 7 . 1 1 75 75 ASP H H 75 7.900 7.900 7.729 0.171 18356 6093 1 7 . 1 1 76 76 ASN N N 76 116.400 116.400 117.236 -0.836 18356 6094 1 7 . 1 1 76 76 ASN HA H 76 4.000 4.000 4.712 -0.712 18356 6095 1 7 . 1 1 76 76 ASN C C 76 173.600 173.600 175.354 -1.754 18356 6096 1 7 . 1 1 76 76 ASN CA C 76 54.000 54.000 54.723 -0.723 18356 6097 1 7 . 1 1 76 76 ASN CB C 76 36.600 36.600 39.351 -2.751 18356 6098 1 7 . 1 1 76 76 ASN H H 76 9.070 9.070 8.760 0.310 18356 6099 1 7 . 1 1 77 77 LEU N N 77 112.300 112.300 112.997 -0.697 18356 6100 1 7 . 1 1 77 77 LEU HA H 77 3.670 3.670 4.760 -1.090 18356 6101 1 7 . 1 1 77 77 LEU C C 77 175.200 175.200 175.021 0.179 18356 6102 1 7 . 1 1 77 77 LEU CA C 77 55.900 55.900 54.211 1.690 18356 6103 1 7 . 1 1 77 77 LEU CB C 77 37.900 37.900 43.123 -5.223 18356 6104 1 7 . 1 1 77 77 LEU H H 77 7.840 7.840 7.509 0.331 18356 6105 1 7 . 1 1 78 78 THR N N 78 106.000 106.000 117.630 -11.630 18356 6106 1 7 . 1 1 78 78 THR HA H 78 4.220 4.220 4.476 -0.256 18356 6107 1 7 . 1 1 78 78 THR C C 78 172.200 172.200 174.148 -1.948 18356 6108 1 7 . 1 1 78 78 THR CA C 78 60.600 60.600 61.465 -0.865 18356 6109 1 7 . 1 1 78 78 THR CB C 78 69.300 69.300 67.733 1.567 18356 6110 1 7 . 1 1 78 78 THR H H 78 8.240 8.240 8.324 -0.084 18356 6111 1 7 . 1 1 79 79 ASP N N 79 118.600 118.600 124.350 -5.750 18356 6112 1 7 . 1 1 79 79 ASP HA H 79 4.730 4.730 4.946 -0.216 18356 6113 1 7 . 1 1 79 79 ASP C C 79 173.000 173.000 175.224 -2.224 18356 6114 1 7 . 1 1 79 79 ASP CA C 79 51.500 51.500 51.763 -0.263 18356 6115 1 7 . 1 1 79 79 ASP CB C 79 44.300 44.300 43.736 0.564 18356 6116 1 7 . 1 1 79 79 ASP H H 79 7.490 7.490 7.722 -0.232 18356 6117 1 7 . 1 1 80 80 CYS N N 80 115.900 115.900 116.662 -0.762 18356 6118 1 7 . 1 1 80 80 CYS HA H 80 4.470 4.470 4.997 -0.527 18356 6119 1 7 . 1 1 80 80 CYS C C 80 174.000 174.000 174.054 -0.054 18356 6120 1 7 . 1 1 80 80 CYS CA C 80 56.300 56.300 57.348 -1.048 18356 6121 1 7 . 1 1 80 80 CYS CB C 80 29.500 29.500 29.038 0.462 18356 6122 1 7 . 1 1 80 80 CYS H H 80 8.480 8.480 8.225 0.255 18356 6123 1 7 . 1 1 81 81 ARG N N 81 115.600 115.600 122.434 -6.834 18356 6124 1 7 . 1 1 81 81 ARG HA H 81 4.680 4.680 5.062 -0.382 18356 6125 1 7 . 1 1 81 81 ARG C C 81 175.500 175.500 174.631 0.869 18356 6126 1 7 . 1 1 81 81 ARG CA C 81 54.200 54.200 54.191 0.009 18356 6127 1 7 . 1 1 81 81 ARG CB C 81 39.000 39.000 33.859 5.141 18356 6128 1 7 . 1 1 81 81 ARG H H 81 8.380 8.380 8.337 0.043 18356 6129 1 7 . 1 1 82 82 TYR N N 82 114.200 114.200 121.172 -6.972 18356 6130 1 7 . 1 1 82 82 TYR HA H 82 5.780 5.780 5.405 0.375 18356 6131 1 7 . 1 1 82 82 TYR C C 82 175.200 175.200 174.595 0.605 18356 6132 1 7 . 1 1 82 82 TYR CA C 82 55.200 55.200 55.344 -0.144 18356 6133 1 7 . 1 1 82 82 TYR CB C 82 42.200 42.200 41.367 0.833 18356 6134 1 7 . 1 1 82 82 TYR H H 82 8.170 8.170 9.220 -1.050 18356 6135 1 7 . 1 1 83 83 ALA N N 83 121.300 121.300 125.210 -3.910 18356 6136 1 7 . 1 1 83 83 ALA HA H 83 5.730 5.730 5.418 0.312 18356 6137 1 7 . 1 1 83 83 ALA C C 83 175.900 175.900 175.488 0.412 18356 6138 1 7 . 1 1 83 83 ALA CA C 83 52.000 52.000 50.191 1.810 18356 6139 1 7 . 1 1 83 83 ALA CB C 83 24.300 24.300 21.843 2.457 18356 6140 1 7 . 1 1 83 83 ALA H H 83 8.780 8.780 8.204 0.576 18356 6141 1 7 . 1 1 84 84 VAL N N 84 111.700 111.700 124.203 -12.503 18356 6142 1 7 . 1 1 84 84 VAL HA H 84 6.180 6.180 5.182 0.998 18356 6143 1 7 . 1 1 84 84 VAL C C 84 176.900 176.900 174.994 1.906 18356 6144 1 7 . 1 1 84 84 VAL CA C 84 58.800 58.800 61.501 -2.701 18356 6145 1 7 . 1 1 84 84 VAL CB C 84 35.600 35.600 33.650 1.950 18356 6146 1 7 . 1 1 84 84 VAL H H 84 9.150 9.150 8.048 1.102 18356 6147 1 7 . 1 1 85 85 PHE N N 85 121.600 121.600 120.896 0.704 18356 6148 1 7 . 1 1 85 85 PHE HA H 85 4.710 4.710 5.008 -0.298 18356 6149 1 7 . 1 1 85 85 PHE C C 85 176.500 176.500 172.947 3.553 18356 6150 1 7 . 1 1 85 85 PHE CA C 85 57.200 57.200 57.132 0.068 18356 6151 1 7 . 1 1 85 85 PHE CB C 85 43.900 43.900 41.465 2.436 18356 6152 1 7 . 1 1 85 85 PHE H H 85 8.780 8.780 7.840 0.940 18356 6153 1 7 . 1 1 86 86 ASP N N 86 126.700 126.700 120.269 6.431 18356 6154 1 7 . 1 1 86 86 ASP HA H 86 4.830 4.830 4.972 -0.142 18356 6155 1 7 . 1 1 86 86 ASP C C 86 171.800 171.800 175.324 -3.524 18356 6156 1 7 . 1 1 86 86 ASP CA C 86 54.300 54.300 53.386 0.914 18356 6157 1 7 . 1 1 86 86 ASP CB C 86 40.300 40.300 40.270 0.030 18356 6158 1 7 . 1 1 86 86 ASP H H 86 7.490 7.490 8.635 -1.145 18356 6159 1 7 . 1 1 87 87 PHE N N 87 135.000 135.000 124.529 10.471 18356 6160 1 7 . 1 1 87 87 PHE HA H 87 3.980 3.980 4.690 -0.710 18356 6161 1 7 . 1 1 87 87 PHE C C 87 173.600 173.600 174.793 -1.193 18356 6162 1 7 . 1 1 87 87 PHE CA C 87 59.700 59.700 57.056 2.644 18356 6163 1 7 . 1 1 87 87 PHE CB C 87 42.900 42.900 39.932 2.968 18356 6164 1 7 . 1 1 87 87 PHE H H 87 9.600 9.600 8.165 1.435 18356 6165 1 7 . 1 1 88 88 LYS N N 88 127.700 127.700 128.911 -1.211 18356 6166 1 7 . 1 1 88 88 LYS HA H 88 5.260 5.260 4.283 0.977 18356 6167 1 7 . 1 1 88 88 LYS C C 88 176.200 176.200 175.314 0.886 18356 6168 1 7 . 1 1 88 88 LYS CA C 88 55.500 55.500 56.218 -0.718 18356 6169 1 7 . 1 1 88 88 LYS CB C 88 33.100 33.100 31.931 1.169 18356 6170 1 7 . 1 1 88 88 LYS H H 88 7.550 7.550 8.249 -0.699 18356 6171 1 7 . 1 1 89 89 PHE N N 89 119.700 119.700 123.465 -3.765 18356 6172 1 7 . 1 1 89 89 PHE HA H 89 5.290 5.290 4.774 0.516 18356 6173 1 7 . 1 1 89 89 PHE C C 89 172.100 172.100 173.568 -1.468 18356 6174 1 7 . 1 1 89 89 PHE CA C 89 56.300 56.300 54.580 1.720 18356 6175 1 7 . 1 1 89 89 PHE CB C 89 40.200 40.200 40.775 -0.575 18356 6176 1 7 . 1 1 89 89 PHE H H 89 9.600 9.600 8.249 1.351 18356 6177 1 7 . 1 1 90 90 THR N N 90 111.800 111.800 112.079 -0.279 18356 6178 1 7 . 1 1 90 90 THR HA H 90 5.170 5.170 4.426 0.744 18356 6179 1 7 . 1 1 90 90 THR C C 90 174.100 174.100 173.820 0.280 18356 6180 1 7 . 1 1 90 90 THR CA C 90 60.500 60.500 60.819 -0.319 18356 6181 1 7 . 1 1 90 90 THR CB C 90 71.200 71.200 69.911 1.289 18356 6182 1 7 . 1 1 90 90 THR H H 90 8.170 8.170 8.193 -0.023 18356 6183 1 7 . 1 1 91 91 CYS N N 91 121.300 121.300 123.597 -2.297 18356 6184 1 7 . 1 1 91 91 CYS HA H 91 4.880 4.880 4.580 0.300 18356 6185 1 7 . 1 1 91 91 CYS C C 91 173.600 173.600 175.104 -1.504 18356 6186 1 7 . 1 1 91 91 CYS CA C 91 57.200 57.200 58.038 -0.838 18356 6187 1 7 . 1 1 91 91 CYS CB C 91 30.300 30.300 30.946 -0.646 18356 6188 1 7 . 1 1 91 91 CYS H H 91 8.810 8.810 8.487 0.323 18356 6189 1 7 . 1 1 92 92 SER N N 92 120.800 120.800 118.792 2.008 18356 6190 1 7 . 1 1 92 92 SER HA H 92 4.180 4.180 4.461 -0.281 18356 6191 1 7 . 1 1 92 92 SER C C 92 173.600 173.600 173.503 0.097 18356 6192 1 7 . 1 1 92 92 SER CA C 92 58.300 58.300 58.609 -0.309 18356 6193 1 7 . 1 1 92 92 SER CB C 92 64.000 64.000 62.877 1.123 18356 6194 1 7 . 1 1 92 92 SER H H 92 8.960 8.960 8.879 0.081 18356 6195 1 7 . 1 1 93 93 ARG N N 93 123.600 123.600 128.483 -4.883 18356 6196 1 7 . 1 1 93 93 ARG HA H 93 4.710 4.710 4.315 0.395 18356 6197 1 7 . 1 1 93 93 ARG C C 93 176.300 176.300 174.910 1.390 18356 6198 1 7 . 1 1 93 93 ARG CA C 93 54.800 54.800 55.902 -1.102 18356 6199 1 7 . 1 1 93 93 ARG CB C 93 32.800 32.800 29.130 3.670 18356 6200 1 7 . 1 1 93 93 ARG H H 93 8.140 8.140 8.401 -0.261 18356 6201 1 7 . 1 1 94 94 VAL N N 94 124.700 124.700 126.255 -1.555 18356 6202 1 7 . 1 1 94 94 VAL HA H 94 3.850 3.850 4.319 -0.469 18356 6203 1 7 . 1 1 94 94 VAL C C 94 177.400 177.400 176.045 1.355 18356 6204 1 7 . 1 1 94 94 VAL CA C 94 64.300 64.300 62.190 2.110 18356 6205 1 7 . 1 1 94 94 VAL CB C 94 31.900 31.900 33.074 -1.174 18356 6206 1 7 . 1 1 94 94 VAL H H 94 8.880 8.880 8.067 0.813 18356 6207 1 7 . 1 1 95 95 GLY N N 95 115.100 115.100 118.417 -3.317 18356 6208 1 7 . 1 1 95 95 GLY C C 95 174.100 174.100 173.893 0.207 18356 6209 1 7 . 1 1 95 95 GLY CA C 95 45.800 45.800 45.429 0.371 18356 6210 1 7 . 1 1 95 95 GLY H H 95 8.900 8.900 8.737 0.163 18356 6211 1 7 . 1 1 96 96 ALA N N 96 123.000 123.000 126.571 -3.571 18356 6212 1 7 . 1 1 96 96 ALA HA H 96 4.520 4.520 4.512 0.008 18356 6213 1 7 . 1 1 96 96 ALA C C 96 177.500 177.500 178.084 -0.584 18356 6214 1 7 . 1 1 96 96 ALA CA C 96 52.100 52.100 51.673 0.427 18356 6215 1 7 . 1 1 96 96 ALA CB C 96 20.300 20.300 19.862 0.438 18356 6216 1 7 . 1 1 96 96 ALA H H 96 8.070 8.070 7.832 0.238 18356 6217 1 7 . 1 1 97 97 GLY N N 97 107.800 107.800 111.294 -3.494 18356 6218 1 7 . 1 1 97 97 GLY C C 97 174.000 174.000 173.868 0.132 18356 6219 1 7 . 1 1 97 97 GLY CA C 97 45.300 45.300 44.877 0.423 18356 6220 1 7 . 1 1 97 97 GLY H H 97 8.270 8.270 8.737 -0.467 18356 6221 1 7 . 1 1 98 98 THR N N 98 115.600 115.600 117.551 -1.951 18356 6222 1 7 . 1 1 98 98 THR HA H 98 4.720 4.720 4.834 -0.114 18356 6223 1 7 . 1 1 98 98 THR C C 98 174.300 174.300 173.528 0.772 18356 6224 1 7 . 1 1 98 98 THR CA C 98 61.900 61.900 61.109 0.791 18356 6225 1 7 . 1 1 98 98 THR CB C 98 70.400 70.400 71.269 -0.869 18356 6226 1 7 . 1 1 98 98 THR H H 98 8.330 8.330 7.777 0.553 18356 6227 1 7 . 1 1 99 99 SER N N 99 119.900 119.900 121.090 -1.190 18356 6228 1 7 . 1 1 99 99 SER HA H 99 4.660 4.660 4.805 -0.145 18356 6229 1 7 . 1 1 99 99 SER C C 99 173.000 173.000 173.086 -0.086 18356 6230 1 7 . 1 1 99 99 SER CA C 99 57.700 57.700 57.049 0.651 18356 6231 1 7 . 1 1 99 99 SER CB C 99 65.300 65.300 66.704 -1.404 18356 6232 1 7 . 1 1 99 99 SER H H 99 8.760 8.760 8.109 0.651 18356 6233 1 7 . 1 1 100 100 LYS N N 100 123.800 123.800 121.152 2.648 18356 6234 1 7 . 1 1 100 100 LYS HA H 100 4.260 4.260 4.020 0.240 18356 6235 1 7 . 1 1 100 100 LYS C C 100 175.600 175.600 175.714 -0.114 18356 6236 1 7 . 1 1 100 100 LYS CA C 100 56.900 56.900 56.760 0.140 18356 6237 1 7 . 1 1 100 100 LYS CB C 100 33.000 33.000 32.499 0.501 18356 6238 1 7 . 1 1 100 100 LYS H H 100 8.280 8.280 8.320 -0.040 18356 6239 1 7 . 1 1 101 101 MET N N 101 123.200 123.200 124.171 -0.971 18356 6240 1 7 . 1 1 101 101 MET HA H 101 4.510 4.510 4.629 -0.119 18356 6241 1 7 . 1 1 101 101 MET C C 101 172.700 172.700 173.591 -0.891 18356 6242 1 7 . 1 1 101 101 MET CA C 101 54.600 54.600 54.606 -0.006 18356 6243 1 7 . 1 1 101 101 MET CB C 101 35.900 35.900 37.067 -1.167 18356 6244 1 7 . 1 1 101 101 MET H H 101 8.910 8.910 7.969 0.941 18356 6245 1 7 . 1 1 102 102 ASP N N 102 119.000 119.000 121.838 -2.838 18356 6246 1 7 . 1 1 102 102 ASP HA H 102 5.690 5.690 5.127 0.563 18356 6247 1 7 . 1 1 102 102 ASP C C 102 175.600 175.600 175.733 -0.133 18356 6248 1 7 . 1 1 102 102 ASP CA C 102 52.500 52.500 53.051 -0.551 18356 6249 1 7 . 1 1 102 102 ASP CB C 102 42.700 42.700 41.778 0.922 18356 6250 1 7 . 1 1 102 102 ASP H H 102 8.030 8.030 8.439 -0.409 18356 6251 1 7 . 1 1 103 103 LYS N N 103 122.100 122.100 121.740 0.360 18356 6252 1 7 . 1 1 103 103 LYS HA H 103 4.810 4.810 4.739 0.071 18356 6253 1 7 . 1 1 103 103 LYS C C 103 174.400 174.400 175.359 -0.959 18356 6254 1 7 . 1 1 103 103 LYS CA C 103 53.400 53.400 53.676 -0.276 18356 6255 1 7 . 1 1 103 103 LYS CB C 103 36.500 36.500 35.374 1.126 18356 6256 1 7 . 1 1 103 103 LYS H H 103 9.340 9.340 8.132 1.208 18356 6257 1 7 . 1 1 104 104 ILE N N 104 123.500 123.500 125.386 -1.886 18356 6258 1 7 . 1 1 104 104 ILE HA H 104 3.780 3.780 4.304 -0.524 18356 6259 1 7 . 1 1 104 104 ILE C C 104 175.900 175.900 175.370 0.530 18356 6260 1 7 . 1 1 104 104 ILE CA C 104 61.700 61.700 61.488 0.212 18356 6261 1 7 . 1 1 104 104 ILE CB C 104 37.700 37.700 38.309 -0.608 18356 6262 1 7 . 1 1 104 104 ILE H H 104 8.810 8.810 8.783 0.027 18356 6263 1 7 . 1 1 105 105 ILE N N 105 119.200 119.200 125.114 -5.914 18356 6264 1 7 . 1 1 105 105 ILE HA H 105 5.310 5.310 4.812 0.498 18356 6265 1 7 . 1 1 105 105 ILE C C 105 174.200 174.200 173.626 0.574 18356 6266 1 7 . 1 1 105 105 ILE CA C 105 59.700 59.700 58.522 1.178 18356 6267 1 7 . 1 1 105 105 ILE CB C 105 39.800 39.800 39.932 -0.132 18356 6268 1 7 . 1 1 105 105 ILE H H 105 8.130 8.130 8.609 -0.479 18356 6269 1 7 . 1 1 106 106 PHE N N 106 125.800 125.800 122.523 3.277 18356 6270 1 7 . 1 1 106 106 PHE HA H 106 5.680 5.680 5.336 0.344 18356 6271 1 7 . 1 1 106 106 PHE C C 106 173.500 173.500 173.706 -0.206 18356 6272 1 7 . 1 1 106 106 PHE CA C 106 56.000 56.000 55.909 0.091 18356 6273 1 7 . 1 1 106 106 PHE CB C 106 43.000 43.000 43.425 -0.425 18356 6274 1 7 . 1 1 106 106 PHE H H 106 9.570 9.570 8.413 1.157 18356 6275 1 7 . 1 1 107 107 LEU N N 107 125.900 125.900 123.385 2.515 18356 6276 1 7 . 1 1 107 107 LEU HA H 107 5.300 5.300 5.186 0.114 18356 6277 1 7 . 1 1 107 107 LEU C C 107 174.600 174.600 174.919 -0.319 18356 6278 1 7 . 1 1 107 107 LEU CA C 107 53.300 53.300 53.195 0.105 18356 6279 1 7 . 1 1 107 107 LEU CB C 107 44.400 44.400 45.112 -0.712 18356 6280 1 7 . 1 1 107 107 LEU H H 107 9.320 9.320 7.671 1.649 18356 6281 1 7 . 1 1 108 108 GLN N N 108 124.800 124.800 120.892 3.908 18356 6282 1 7 . 1 1 108 108 GLN HA H 108 4.670 4.670 4.816 -0.146 18356 6283 1 7 . 1 1 108 108 GLN C C 108 173.900 173.900 175.353 -1.453 18356 6284 1 7 . 1 1 108 108 GLN CA C 108 55.500 55.500 55.124 0.376 18356 6285 1 7 . 1 1 108 108 GLN CB C 108 30.200 30.200 29.421 0.779 18356 6286 1 7 . 1 1 108 108 GLN H H 108 8.620 8.620 8.156 0.464 18356 6287 1 7 . 1 1 109 109 ILE N N 109 128.400 128.400 127.345 1.055 18356 6288 1 7 . 1 1 109 109 ILE HA H 109 4.340 4.340 4.560 -0.220 18356 6289 1 7 . 1 1 109 109 ILE C C 109 173.800 173.800 175.008 -1.208 18356 6290 1 7 . 1 1 109 109 ILE CA C 109 61.500 61.500 58.919 2.581 18356 6291 1 7 . 1 1 109 109 ILE CB C 109 37.600 37.600 36.534 1.066 18356 6292 1 7 . 1 1 109 109 ILE H H 109 8.550 8.550 8.839 -0.289 18356 6293 1 7 . 1 1 110 110 CYS N N 110 125.800 125.800 125.384 0.416 18356 6294 1 7 . 1 1 110 110 CYS HA H 110 5.340 5.340 4.844 0.496 18356 6295 1 7 . 1 1 110 110 CYS C C 110 171.200 171.200 172.524 -1.324 18356 6296 1 7 . 1 1 110 110 CYS CA C 110 54.400 54.400 54.922 -0.522 18356 6297 1 7 . 1 1 110 110 CYS CB C 110 29.400 29.400 29.489 -0.089 18356 6298 1 7 . 1 1 110 110 CYS H H 110 8.330 8.330 8.062 0.268 18356 6299 1 7 . 1 1 111 111 PRO HA H 111 4.470 4.470 4.572 -0.102 18356 6300 1 7 . 1 1 111 111 PRO CA C 111 59.500 59.500 62.316 -2.816 18356 6301 1 7 . 1 1 112 112 ASP N N 112 120.600 120.600 119.311 1.289 18356 6302 1 7 . 1 1 112 112 ASP HA H 112 4.260 4.260 4.462 -0.202 18356 6303 1 7 . 1 1 112 112 ASP C C 112 177.400 177.400 177.799 -0.399 18356 6304 1 7 . 1 1 112 112 ASP CA C 112 57.700 57.700 56.134 1.566 18356 6305 1 7 . 1 1 112 112 ASP CB C 112 41.300 41.300 40.755 0.544 18356 6306 1 7 . 1 1 112 112 ASP H H 112 8.390 8.390 8.644 -0.254 18356 6307 1 7 . 1 1 113 113 GLY N N 113 103.400 103.400 108.274 -4.874 18356 6308 1 7 . 1 1 113 113 GLY C C 113 174.500 174.500 172.897 1.603 18356 6309 1 7 . 1 1 113 113 GLY CA C 113 45.500 45.500 44.846 0.654 18356 6310 1 7 . 1 1 113 113 GLY H H 113 8.520 8.520 8.278 0.242 18356 6311 1 7 . 1 1 114 114 ALA N N 114 122.000 122.000 123.881 -1.881 18356 6312 1 7 . 1 1 114 114 ALA HA H 114 4.360 4.360 4.666 -0.306 18356 6313 1 7 . 1 1 114 114 ALA C C 114 176.200 176.200 175.841 0.359 18356 6314 1 7 . 1 1 114 114 ALA CA C 114 51.000 51.000 51.510 -0.510 18356 6315 1 7 . 1 1 114 114 ALA CB C 114 20.500 20.500 21.283 -0.783 18356 6316 1 7 . 1 1 114 114 ALA H H 114 7.560 7.560 7.995 -0.435 18356 6317 1 7 . 1 1 115 115 SER N N 115 115.900 115.900 116.665 -0.765 18356 6318 1 7 . 1 1 115 115 SER HA H 115 4.400 4.400 4.309 0.091 18356 6319 1 7 . 1 1 115 115 SER C C 115 175.600 175.600 175.949 -0.349 18356 6320 1 7 . 1 1 115 115 SER CA C 115 57.700 57.700 58.548 -0.848 18356 6321 1 7 . 1 1 115 115 SER CB C 115 64.400 64.400 63.776 0.624 18356 6322 1 7 . 1 1 115 115 SER H H 115 8.620 8.620 8.710 -0.090 18356 6323 1 7 . 1 1 116 116 ILE N N 116 123.700 123.700 126.436 -2.736 18356 6324 1 7 . 1 1 116 116 ILE HA H 116 4.740 4.740 3.826 0.914 18356 6325 1 7 . 1 1 116 116 ILE C C 116 177.600 177.600 176.885 0.715 18356 6326 1 7 . 1 1 116 116 ILE CA C 116 61.900 61.900 64.512 -2.612 18356 6327 1 7 . 1 1 116 116 ILE CB C 116 37.800 37.800 38.039 -0.239 18356 6328 1 7 . 1 1 116 116 ILE H H 116 8.810 8.810 8.707 0.103 18356 6329 1 7 . 1 1 117 117 LYS N N 117 119.200 119.200 117.308 1.892 18356 6330 1 7 . 1 1 117 117 LYS HA H 117 4.080 4.080 4.055 0.025 18356 6331 1 7 . 1 1 117 117 LYS C C 117 179.400 179.400 178.538 0.862 18356 6332 1 7 . 1 1 117 117 LYS CA C 117 59.600 59.600 58.874 0.726 18356 6333 1 7 . 1 1 117 117 LYS CB C 117 32.700 32.700 31.064 1.636 18356 6334 1 7 . 1 1 117 117 LYS H H 117 8.140 8.140 8.438 -0.298 18356 6335 1 7 . 1 1 118 118 LYS N N 118 118.700 118.700 118.688 0.012 18356 6336 1 7 . 1 1 118 118 LYS HA H 118 4.290 4.290 3.901 0.389 18356 6337 1 7 . 1 1 118 118 LYS C C 118 178.700 178.700 178.062 0.638 18356 6338 1 7 . 1 1 118 118 LYS CA C 118 58.500 58.500 58.152 0.348 18356 6339 1 7 . 1 1 118 118 LYS CB C 118 32.500 32.500 31.737 0.763 18356 6340 1 7 . 1 1 118 118 LYS H H 118 7.570 7.570 7.559 0.011 18356 6341 1 7 . 1 1 119 119 LYS N N 119 118.900 118.900 120.146 -1.246 18356 6342 1 7 . 1 1 119 119 LYS HA H 119 4.340 4.340 4.193 0.147 18356 6343 1 7 . 1 1 119 119 LYS C C 119 179.600 179.600 178.951 0.649 18356 6344 1 7 . 1 1 119 119 LYS CA C 119 61.300 61.300 58.783 2.517 18356 6345 1 7 . 1 1 119 119 LYS CB C 119 32.300 32.300 31.761 0.539 18356 6346 1 7 . 1 1 119 119 LYS H H 119 8.450 8.450 7.595 0.855 18356 6347 1 7 . 1 1 120 120 MET N N 120 117.400 117.400 118.640 -1.240 18356 6348 1 7 . 1 1 120 120 MET HA H 120 4.290 4.290 4.129 0.161 18356 6349 1 7 . 1 1 120 120 MET C C 120 179.500 179.500 178.411 1.089 18356 6350 1 7 . 1 1 120 120 MET CA C 120 59.100 59.100 59.548 -0.448 18356 6351 1 7 . 1 1 120 120 MET CB C 120 32.400 32.400 32.456 -0.056 18356 6352 1 7 . 1 1 120 120 MET H H 120 8.420 8.420 7.513 0.907 18356 6353 1 7 . 1 1 121 121 VAL N N 121 121.800 121.800 120.567 1.233 18356 6354 1 7 . 1 1 121 121 VAL HA H 121 3.980 3.980 3.714 0.266 18356 6355 1 7 . 1 1 121 121 VAL C C 121 179.200 179.200 178.768 0.432 18356 6356 1 7 . 1 1 121 121 VAL CA C 121 66.200 66.200 66.570 -0.370 18356 6357 1 7 . 1 1 121 121 VAL CB C 121 32.300 32.300 31.066 1.234 18356 6358 1 7 . 1 1 121 121 VAL H H 121 8.000 8.000 7.523 0.477 18356 6359 1 7 . 1 1 122 122 TYR N N 122 121.300 121.300 119.393 1.907 18356 6360 1 7 . 1 1 122 122 TYR HA H 122 4.230 4.230 4.241 -0.011 18356 6361 1 7 . 1 1 122 122 TYR C C 122 180.700 180.700 178.362 2.338 18356 6362 1 7 . 1 1 122 122 TYR CA C 122 61.400 61.400 60.394 1.006 18356 6363 1 7 . 1 1 122 122 TYR CB C 122 38.300 38.300 36.838 1.462 18356 6364 1 7 . 1 1 122 122 TYR H H 122 8.610 8.610 8.327 0.283 18356 6365 1 7 . 1 1 123 123 ALA N N 123 124.000 124.000 122.035 1.965 18356 6366 1 7 . 1 1 123 123 ALA HA H 123 4.360 4.360 3.998 0.362 18356 6367 1 7 . 1 1 123 123 ALA C C 123 180.800 180.800 179.576 1.224 18356 6368 1 7 . 1 1 123 123 ALA CA C 123 55.800 55.800 55.394 0.406 18356 6369 1 7 . 1 1 123 123 ALA CB C 123 18.200 18.200 18.242 -0.042 18356 6370 1 7 . 1 1 123 123 ALA H H 123 8.760 8.760 8.716 0.044 18356 6371 1 7 . 1 1 124 124 SER N N 124 113.200 113.200 113.155 0.045 18356 6372 1 7 . 1 1 124 124 SER HA H 124 4.340 4.340 4.276 0.064 18356 6373 1 7 . 1 1 124 124 SER C C 124 176.400 176.400 176.589 -0.189 18356 6374 1 7 . 1 1 124 124 SER CA C 124 61.500 61.500 60.898 0.602 18356 6375 1 7 . 1 1 124 124 SER CB C 124 63.300 63.300 62.566 0.734 18356 6376 1 7 . 1 1 124 124 SER H H 124 8.500 8.500 8.218 0.282 18356 6377 1 7 . 1 1 125 125 SER N N 125 115.200 115.200 118.104 -2.904 18356 6378 1 7 . 1 1 125 125 SER HA H 125 4.460 4.460 4.402 0.058 18356 6379 1 7 . 1 1 125 125 SER C C 125 173.100 173.100 175.585 -2.485 18356 6380 1 7 . 1 1 125 125 SER CA C 125 59.400 59.400 61.334 -1.934 18356 6381 1 7 . 1 1 125 125 SER CB C 125 63.400 63.400 63.334 0.066 18356 6382 1 7 . 1 1 125 125 SER H H 125 7.480 7.480 7.724 -0.244 18356 6383 1 7 . 1 1 126 126 ALA N N 126 122.600 122.600 124.106 -1.506 18356 6384 1 7 . 1 1 126 126 ALA HA H 126 3.780 3.780 4.065 -0.285 18356 6385 1 7 . 1 1 126 126 ALA C C 126 178.600 178.600 178.772 -0.172 18356 6386 1 7 . 1 1 126 126 ALA CA C 126 54.900 54.900 54.507 0.393 18356 6387 1 7 . 1 1 126 126 ALA CB C 126 18.700 18.700 17.941 0.759 18356 6388 1 7 . 1 1 126 126 ALA H H 126 7.100 7.100 8.296 -1.196 18356 6389 1 7 . 1 1 127 127 ALA N N 127 118.800 118.800 119.675 -0.875 18356 6390 1 7 . 1 1 127 127 ALA HA H 127 3.860 3.860 3.866 -0.006 18356 6391 1 7 . 1 1 127 127 ALA C C 127 179.700 179.700 178.561 1.139 18356 6392 1 7 . 1 1 127 127 ALA CA C 127 55.200 55.200 54.518 0.682 18356 6393 1 7 . 1 1 127 127 ALA CB C 127 17.700 17.700 18.413 -0.713 18356 6394 1 7 . 1 1 127 127 ALA H H 127 8.480 8.480 7.906 0.574 18356 6395 1 7 . 1 1 128 128 ALA N N 128 120.700 120.700 120.135 0.565 18356 6396 1 7 . 1 1 128 128 ALA HA H 128 3.990 3.990 4.152 -0.162 18356 6397 1 7 . 1 1 128 128 ALA C C 128 180.600 180.600 178.355 2.245 18356 6398 1 7 . 1 1 128 128 ALA CA C 128 55.100 55.100 53.906 1.194 18356 6399 1 7 . 1 1 128 128 ALA CB C 128 17.900 17.900 18.894 -0.994 18356 6400 1 7 . 1 1 128 128 ALA H H 128 7.800 7.800 7.219 0.581 18356 6401 1 7 . 1 1 129 129 ILE N N 129 114.900 114.900 118.508 -3.608 18356 6402 1 7 . 1 1 129 129 ILE HA H 129 3.780 3.780 3.925 -0.145 18356 6403 1 7 . 1 1 129 129 ILE C C 129 176.100 176.100 178.184 -2.084 18356 6404 1 7 . 1 1 129 129 ILE CA C 129 63.300 63.300 62.520 0.780 18356 6405 1 7 . 1 1 129 129 ILE CB C 129 37.200 37.200 38.063 -0.863 18356 6406 1 7 . 1 1 129 129 ILE H H 129 7.180 7.180 7.372 -0.192 18356 6407 1 7 . 1 1 130 130 LYS N N 130 122.400 122.400 119.951 2.449 18356 6408 1 7 . 1 1 130 130 LYS HA H 130 3.870 3.870 3.621 0.249 18356 6409 1 7 . 1 1 130 130 LYS C C 130 178.400 178.400 177.902 0.498 18356 6410 1 7 . 1 1 130 130 LYS CA C 130 61.100 61.100 59.578 1.522 18356 6411 1 7 . 1 1 130 130 LYS CB C 130 31.500 31.500 31.189 0.311 18356 6412 1 7 . 1 1 130 130 LYS H H 130 7.870 7.870 8.186 -0.316 18356 6413 1 7 . 1 1 131 131 THR N N 131 113.000 113.000 114.113 -1.113 18356 6414 1 7 . 1 1 131 131 THR HA H 131 3.870 3.870 4.024 -0.154 18356 6415 1 7 . 1 1 131 131 THR C C 131 176.300 176.300 175.273 1.027 18356 6416 1 7 . 1 1 131 131 THR CA C 131 65.900 65.900 64.904 0.995 18356 6417 1 7 . 1 1 131 131 THR CB C 131 68.700 68.700 68.250 0.450 18356 6418 1 7 . 1 1 131 131 THR H H 131 8.000 8.000 7.829 0.171 18356 6419 1 7 . 1 1 132 132 SER N N 132 117.300 117.300 114.750 2.550 18356 6420 1 7 . 1 1 132 132 SER HA H 132 4.100 4.100 4.217 -0.117 18356 6421 1 7 . 1 1 132 132 SER C C 132 174.900 174.900 174.583 0.317 18356 6422 1 7 . 1 1 132 132 SER CA C 132 61.900 61.900 61.088 0.812 18356 6423 1 7 . 1 1 132 132 SER CB C 132 63.300 63.300 63.465 -0.166 18356 6424 1 7 . 1 1 132 132 SER H H 132 7.290 7.290 7.562 -0.272 18356 6425 1 7 . 1 1 133 133 LEU N N 133 118.100 118.100 112.994 5.106 18356 6426 1 7 . 1 1 133 133 LEU HA H 133 3.700 3.700 4.681 -0.981 18356 6427 1 7 . 1 1 133 133 LEU C C 133 176.600 176.600 175.276 1.324 18356 6428 1 7 . 1 1 133 133 LEU CA C 133 56.300 56.300 55.095 1.205 18356 6429 1 7 . 1 1 133 133 LEU CB C 133 40.400 40.400 43.739 -3.339 18356 6430 1 7 . 1 1 133 133 LEU H H 133 7.330 7.330 7.528 -0.198 18356 6431 1 7 . 1 1 134 134 GLY N N 134 105.600 105.600 106.633 -1.033 18356 6432 1 7 . 1 1 134 134 GLY C C 134 174.800 174.800 173.982 0.818 18356 6433 1 7 . 1 1 134 134 GLY CA C 134 45.300 45.300 45.070 0.230 18356 6434 1 7 . 1 1 134 134 GLY H H 134 7.420 7.420 7.912 -0.492 18356 6435 1 7 . 1 1 135 135 THR N N 135 116.600 116.600 117.804 -1.204 18356 6436 1 7 . 1 1 135 135 THR HA H 135 3.870 3.870 4.061 -0.191 18356 6437 1 7 . 1 1 135 135 THR C C 135 176.000 176.000 174.806 1.194 18356 6438 1 7 . 1 1 135 135 THR CA C 135 63.900 63.900 65.123 -1.223 18356 6439 1 7 . 1 1 135 135 THR CB C 135 68.600 68.600 69.179 -0.579 18356 6440 1 7 . 1 1 135 135 THR H H 135 8.450 8.450 8.156 0.294 18356 6441 1 7 . 1 1 136 136 GLY N N 136 109.300 109.300 105.374 3.926 18356 6442 1 7 . 1 1 136 136 GLY C C 136 175.000 175.000 173.342 1.658 18356 6443 1 7 . 1 1 136 136 GLY CA C 136 45.700 45.700 45.169 0.531 18356 6444 1 7 . 1 1 136 136 GLY H H 136 8.720 8.720 8.264 0.456 18356 6445 1 7 . 1 1 137 137 LYS N N 137 118.500 118.500 119.164 -0.664 18356 6446 1 7 . 1 1 137 137 LYS HA H 137 4.500 4.500 4.472 0.028 18356 6447 1 7 . 1 1 137 137 LYS C C 137 176.200 176.200 175.075 1.125 18356 6448 1 7 . 1 1 137 137 LYS CA C 137 56.300 56.300 56.034 0.266 18356 6449 1 7 . 1 1 137 137 LYS CB C 137 34.100 34.100 32.963 1.137 18356 6450 1 7 . 1 1 137 137 LYS H H 137 8.110 8.110 8.266 -0.156 18356 6451 1 7 . 1 1 138 138 ILE N N 138 111.400 111.400 116.335 -4.935 18356 6452 1 7 . 1 1 138 138 ILE HA H 138 5.050 5.050 4.620 0.430 18356 6453 1 7 . 1 1 138 138 ILE C C 138 174.700 174.700 174.738 -0.038 18356 6454 1 7 . 1 1 138 138 ILE CA C 138 59.500 59.500 59.102 0.398 18356 6455 1 7 . 1 1 138 138 ILE CB C 138 41.600 41.600 40.886 0.714 18356 6456 1 7 . 1 1 138 138 ILE H H 138 7.270 7.270 7.176 0.094 18356 6457 1 7 . 1 1 139 139 LEU N N 139 124.600 124.600 125.994 -1.394 18356 6458 1 7 . 1 1 139 139 LEU HA H 139 4.690 4.690 4.696 -0.006 18356 6459 1 7 . 1 1 139 139 LEU C C 139 175.600 175.600 176.012 -0.412 18356 6460 1 7 . 1 1 139 139 LEU CA C 139 54.200 54.200 53.738 0.462 18356 6461 1 7 . 1 1 139 139 LEU CB C 139 43.800 43.800 40.032 3.768 18356 6462 1 7 . 1 1 139 139 LEU H H 139 8.450 8.450 8.447 0.003 18356 6463 1 7 . 1 1 140 140 GLN N N 140 123.500 123.500 122.491 1.009 18356 6464 1 7 . 1 1 140 140 GLN HA H 140 5.350 5.350 5.625 -0.275 18356 6465 1 7 . 1 1 140 140 GLN C C 140 174.900 174.900 175.244 -0.344 18356 6466 1 7 . 1 1 140 140 GLN CA C 140 55.800 55.800 54.210 1.590 18356 6467 1 7 . 1 1 140 140 GLN CB C 140 30.900 30.900 31.213 -0.313 18356 6468 1 7 . 1 1 140 140 GLN H H 140 8.590 8.590 8.294 0.296 18356 6469 1 7 . 1 1 141 141 PHE N N 141 120.500 120.500 121.934 -1.434 18356 6470 1 7 . 1 1 141 141 PHE HA H 141 4.870 4.870 4.676 0.194 18356 6471 1 7 . 1 1 141 141 PHE C C 141 174.700 174.700 173.851 0.849 18356 6472 1 7 . 1 1 141 141 PHE CA C 141 57.300 57.300 57.595 -0.295 18356 6473 1 7 . 1 1 141 141 PHE CB C 141 42.800 42.800 43.906 -1.106 18356 6474 1 7 . 1 1 141 141 PHE H H 141 9.280 9.280 8.957 0.323 18356 6475 1 7 . 1 1 142 142 GLN N N 142 123.700 123.700 125.741 -2.041 18356 6476 1 7 . 1 1 142 142 GLN HA H 142 4.880 4.880 4.661 0.219 18356 6477 1 7 . 1 1 142 142 GLN C C 142 174.900 174.900 174.914 -0.014 18356 6478 1 7 . 1 1 142 142 GLN CA C 142 55.500 55.500 55.379 0.121 18356 6479 1 7 . 1 1 142 142 GLN CB C 142 30.200 30.200 29.800 0.400 18356 6480 1 7 . 1 1 142 142 GLN H H 142 9.080 9.080 8.483 0.597 18356 6481 1 7 . 1 1 143 143 VAL N N 143 120.900 120.900 121.941 -1.041 18356 6482 1 7 . 1 1 143 143 VAL HA H 143 4.600 4.600 4.646 -0.046 18356 6483 1 7 . 1 1 143 143 VAL C C 143 174.800 174.800 175.257 -0.457 18356 6484 1 7 . 1 1 143 143 VAL CA C 143 60.900 60.900 60.936 -0.036 18356 6485 1 7 . 1 1 143 143 VAL CB C 143 35.700 35.700 34.087 1.613 18356 6486 1 7 . 1 1 143 143 VAL H H 143 8.560 8.560 7.942 0.618 18356 6487 1 7 . 1 1 144 144 SER N N 144 120.500 120.500 119.693 0.807 18356 6488 1 7 . 1 1 144 144 SER HA H 144 4.740 4.740 4.357 0.383 18356 6489 1 7 . 1 1 144 144 SER C C 144 173.200 173.200 174.197 -0.997 18356 6490 1 7 . 1 1 144 144 SER CA C 144 58.200 58.200 59.573 -1.373 18356 6491 1 7 . 1 1 144 144 SER CB C 144 65.600 65.600 64.064 1.536 18356 6492 1 7 . 1 1 144 144 SER H H 144 9.640 9.640 8.671 0.969 18356 6493 1 7 . 1 1 145 145 ASP N N 145 118.600 118.600 121.506 -2.906 18356 6494 1 7 . 1 1 145 145 ASP HA H 145 4.700 4.700 4.574 0.126 18356 6495 1 7 . 1 1 145 145 ASP C C 145 175.500 175.500 176.572 -1.072 18356 6496 1 7 . 1 1 145 145 ASP CA C 145 53.300 53.300 53.711 -0.411 18356 6497 1 7 . 1 1 145 145 ASP CB C 145 44.100 44.100 42.521 1.579 18356 6498 1 7 . 1 1 145 145 ASP H H 145 7.760 7.760 7.950 -0.190 18356 6499 1 7 . 1 1 146 146 GLU N N 146 119.900 119.900 123.936 -4.036 18356 6500 1 7 . 1 1 146 146 GLU HA H 146 3.780 3.780 4.150 -0.370 18356 6501 1 7 . 1 1 146 146 GLU C C 146 177.800 177.800 177.258 0.542 18356 6502 1 7 . 1 1 146 146 GLU CA C 146 59.700 59.700 58.224 1.476 18356 6503 1 7 . 1 1 146 146 GLU CB C 146 29.800 29.800 29.546 0.254 18356 6504 1 7 . 1 1 146 146 GLU H H 146 8.950 8.950 8.577 0.373 18356 6505 1 7 . 1 1 147 147 SER N N 147 116.700 116.700 114.965 1.735 18356 6506 1 7 . 1 1 147 147 SER HA H 147 4.190 4.190 4.343 -0.153 18356 6507 1 7 . 1 1 147 147 SER C C 147 176.600 176.600 175.632 0.968 18356 6508 1 7 . 1 1 147 147 SER CA C 147 61.500 61.500 60.438 1.062 18356 6509 1 7 . 1 1 147 147 SER CB C 147 60.100 60.100 62.315 -2.215 18356 6510 1 7 . 1 1 147 147 SER H H 147 8.660 8.660 7.790 0.870 18356 6511 1 7 . 1 1 148 148 GLU N N 148 120.300 120.300 121.596 -1.296 18356 6512 1 7 . 1 1 148 148 GLU HA H 148 4.160 4.160 4.219 -0.059 18356 6513 1 7 . 1 1 148 148 GLU C C 148 176.200 176.200 176.016 0.184 18356 6514 1 7 . 1 1 148 148 GLU CA C 148 57.600 57.600 56.577 1.023 18356 6515 1 7 . 1 1 148 148 GLU CB C 148 30.900 30.900 29.508 1.392 18356 6516 1 7 . 1 1 148 148 GLU H H 148 7.940 7.940 7.886 0.054 18356 6517 1 7 . 1 1 149 149 MET N N 149 116.000 116.000 120.559 -4.559 18356 6518 1 7 . 1 1 149 149 MET HA H 149 4.530 4.530 4.393 0.137 18356 6519 1 7 . 1 1 149 149 MET C C 149 173.000 173.000 175.690 -2.690 18356 6520 1 7 . 1 1 149 149 MET CA C 149 53.400 53.400 55.723 -2.323 18356 6521 1 7 . 1 1 149 149 MET CB C 149 32.900 32.900 31.590 1.310 18356 6522 1 7 . 1 1 149 149 MET H H 149 7.500 7.500 7.334 0.166 18356 6523 1 7 . 1 1 150 150 SER N N 150 112.400 112.400 116.274 -3.874 18356 6524 1 7 . 1 1 150 150 SER HA H 150 4.710 4.710 4.827 -0.117 18356 6525 1 7 . 1 1 150 150 SER C C 150 174.100 174.100 174.780 -0.680 18356 6526 1 7 . 1 1 150 150 SER CA C 150 56.900 56.900 56.278 0.622 18356 6527 1 7 . 1 1 150 150 SER CB C 150 65.300 65.300 65.041 0.259 18356 6528 1 7 . 1 1 150 150 SER H H 150 7.100 7.100 7.838 -0.738 18356 6529 1 7 . 1 1 151 151 HIS N N 151 125.700 125.700 121.155 4.545 18356 6530 1 7 . 1 1 151 151 HIS HA H 151 4.670 4.670 4.390 0.280 18356 6531 1 7 . 1 1 151 151 HIS C C 151 175.900 175.900 176.459 -0.559 18356 6532 1 7 . 1 1 151 151 HIS CA C 151 62.300 62.300 59.067 3.233 18356 6533 1 7 . 1 1 151 151 HIS CB C 151 31.900 31.900 29.438 2.462 18356 6534 1 7 . 1 1 151 151 HIS H H 151 9.510 9.510 8.833 0.677 18356 6535 1 7 . 1 1 152 152 LYS N N 152 115.700 115.700 119.228 -3.528 18356 6536 1 7 . 1 1 152 152 LYS HA H 152 3.690 3.690 3.772 -0.082 18356 6537 1 7 . 1 1 152 152 LYS C C 152 178.700 178.700 178.870 -0.170 18356 6538 1 7 . 1 1 152 152 LYS CA C 152 59.200 59.200 58.734 0.466 18356 6539 1 7 . 1 1 152 152 LYS CB C 152 32.700 32.700 31.425 1.275 18356 6540 1 7 . 1 1 152 152 LYS H H 152 8.380 8.380 7.757 0.623 18356 6541 1 7 . 1 1 153 153 GLU N N 153 117.400 117.400 119.042 -1.642 18356 6542 1 7 . 1 1 153 153 GLU HA H 153 4.070 4.070 4.128 -0.058 18356 6543 1 7 . 1 1 153 153 GLU C C 153 179.100 179.100 178.209 0.891 18356 6544 1 7 . 1 1 153 153 GLU CA C 153 58.500 58.500 57.882 0.618 18356 6545 1 7 . 1 1 153 153 GLU CB C 153 29.300 29.300 29.583 -0.283 18356 6546 1 7 . 1 1 153 153 GLU H H 153 7.360 7.360 7.389 -0.029 18356 6547 1 7 . 1 1 154 154 LEU N N 154 121.200 121.200 121.387 -0.187 18356 6548 1 7 . 1 1 154 154 LEU HA H 154 3.530 3.530 3.839 -0.309 18356 6549 1 7 . 1 1 154 154 LEU C C 154 178.300 178.300 178.313 -0.013 18356 6550 1 7 . 1 1 154 154 LEU CA C 154 57.300 57.300 57.878 -0.578 18356 6551 1 7 . 1 1 154 154 LEU CB C 154 40.500 40.500 41.687 -1.187 18356 6552 1 7 . 1 1 154 154 LEU H H 154 7.730 7.730 7.222 0.508 18356 6553 1 7 . 1 1 155 155 LEU N N 155 118.500 118.500 113.202 5.298 18356 6554 1 7 . 1 1 155 155 LEU HA H 155 3.410 3.410 3.924 -0.514 18356 6555 1 7 . 1 1 155 155 LEU C C 155 179.900 179.900 178.108 1.792 18356 6556 1 7 . 1 1 155 155 LEU CA C 155 57.600 57.600 57.330 0.270 18356 6557 1 7 . 1 1 155 155 LEU CB C 155 41.200 41.200 41.085 0.115 18356 6558 1 7 . 1 1 155 155 LEU H H 155 8.350 8.350 7.875 0.475 18356 6559 1 7 . 1 1 156 156 ASN N N 156 117.900 117.900 118.507 -0.607 18356 6560 1 7 . 1 1 156 156 ASN HA H 156 4.360 4.360 4.371 -0.011 18356 6561 1 7 . 1 1 156 156 ASN C C 156 178.000 178.000 177.051 0.949 18356 6562 1 7 . 1 1 156 156 ASN CA C 156 56.300 56.300 56.681 -0.381 18356 6563 1 7 . 1 1 156 156 ASN CB C 156 38.400 38.400 38.587 -0.187 18356 6564 1 7 . 1 1 156 156 ASN H H 156 7.750 7.750 7.777 -0.027 18356 6565 1 7 . 1 1 157 157 LYS N N 157 119.800 119.800 119.407 0.393 18356 6566 1 7 . 1 1 157 157 LYS HA H 157 4.080 4.080 3.828 0.252 18356 6567 1 7 . 1 1 157 157 LYS C C 157 179.800 179.800 178.623 1.177 18356 6568 1 7 . 1 1 157 157 LYS CA C 157 59.100 59.100 58.718 0.382 18356 6569 1 7 . 1 1 157 157 LYS CB C 157 32.500 32.500 31.594 0.906 18356 6570 1 7 . 1 1 157 157 LYS H H 157 7.770 7.770 7.853 -0.083 18356 6571 1 7 . 1 1 158 158 LEU N N 158 120.900 120.900 121.307 -0.407 18356 6572 1 7 . 1 1 158 158 LEU HA H 158 3.950 3.950 4.205 -0.255 18356 6573 1 7 . 1 1 158 158 LEU C C 158 179.000 179.000 178.490 0.510 18356 6574 1 7 . 1 1 158 158 LEU CA C 158 57.800 57.800 56.817 0.983 18356 6575 1 7 . 1 1 158 158 LEU CB C 158 41.200 41.200 41.641 -0.441 18356 6576 1 7 . 1 1 158 158 LEU H H 158 8.200 8.200 7.068 1.132 18356 6577 1 7 . 1 1 159 159 GLY N N 159 106.500 106.500 106.630 -0.130 18356 6578 1 7 . 1 1 159 159 GLY C C 159 176.300 176.300 176.025 0.275 18356 6579 1 7 . 1 1 159 159 GLY CA C 159 46.900 46.900 47.349 -0.449 18356 6580 1 7 . 1 1 159 159 GLY H H 159 8.290 8.290 8.197 0.092 18356 6581 1 7 . 1 1 160 160 GLU N N 160 120.700 120.700 121.373 -0.673 18356 6582 1 7 . 1 1 160 160 GLU HA H 160 4.070 4.070 3.934 0.136 18356 6583 1 7 . 1 1 160 160 GLU C C 160 177.800 177.800 178.451 -0.651 18356 6584 1 7 . 1 1 160 160 GLU CA C 160 58.300 58.300 59.136 -0.836 18356 6585 1 7 . 1 1 160 160 GLU CB C 160 30.000 30.000 29.575 0.425 18356 6586 1 7 . 1 1 160 160 GLU H H 160 7.850 7.850 7.987 -0.137 18356 6587 1 7 . 1 1 161 161 LYS N N 161 118.100 118.100 117.652 0.448 18356 6588 1 7 . 1 1 161 161 LYS HA H 161 4.070 4.070 4.174 -0.104 18356 6589 1 7 . 1 1 161 161 LYS C C 161 177.600 177.600 178.084 -0.484 18356 6590 1 7 . 1 1 161 161 LYS CA C 161 57.800 57.800 57.990 -0.190 18356 6591 1 7 . 1 1 161 161 LYS CB C 161 33.200 33.200 32.291 0.909 18356 6592 1 7 . 1 1 161 161 LYS H H 161 7.660 7.660 8.107 -0.447 18356 6593 1 7 . 1 1 162 162 TYR N N 162 115.400 115.400 116.937 -1.537 18356 6594 1 7 . 1 1 162 162 TYR HA H 162 4.750 4.750 4.554 0.196 18356 6595 1 7 . 1 1 162 162 TYR C C 162 176.000 176.000 175.637 0.363 18356 6596 1 7 . 1 1 162 162 TYR CA C 162 59.000 59.000 58.483 0.517 18356 6597 1 7 . 1 1 162 162 TYR CB C 162 39.800 39.800 38.783 1.017 18356 6598 1 7 . 1 1 162 162 TYR H H 162 8.090 8.090 7.758 0.332 18356 6599 1 7 . 1 1 163 163 GLY N N 163 109.000 109.000 108.206 0.794 18356 6600 1 7 . 1 1 163 163 GLY C C 163 173.500 173.500 173.731 -0.231 18356 6601 1 7 . 1 1 163 163 GLY CA C 163 45.500 45.500 44.365 1.135 18356 6602 1 7 . 1 1 163 163 GLY H H 163 8.090 8.090 7.170 0.920 18356 6603 1 7 . 1 1 164 164 ASP N N 164 120.100 120.100 119.322 0.778 18356 6604 1 7 . 1 1 164 164 ASP HA H 164 4.640 4.640 4.099 0.541 18356 6605 1 7 . 1 1 164 164 ASP C C 164 175.300 175.300 174.903 0.397 18356 6606 1 7 . 1 1 164 164 ASP CA C 164 54.600 54.600 55.651 -1.051 18356 6607 1 7 . 1 1 164 164 ASP CB C 164 41.700 41.700 41.658 0.042 18356 6608 1 7 . 1 1 164 164 ASP H H 164 8.320 8.320 7.909 0.411 18356 6609 1 8 . 1 1 2 2 SER N N 2 115.100 115.100 118.036 -2.936 18356 6610 1 8 . 1 1 2 2 SER HA H 2 4.820 4.820 4.526 0.294 18356 6611 1 8 . 1 1 2 2 SER CA C 2 62.300 62.300 60.062 2.238 18356 6612 1 8 . 1 1 2 2 SER CB C 2 67.300 67.300 64.335 2.965 18356 6613 1 8 . 1 1 2 2 SER H H 2 8.350 8.350 8.807 -0.457 18356 6614 1 8 . 1 1 3 3 SER HA H 3 3.860 3.860 4.752 -0.892 18356 6615 1 8 . 1 1 3 3 SER CA C 3 55.800 55.800 58.038 -2.238 18356 6616 1 8 . 1 1 3 3 SER CB C 3 61.300 61.300 64.448 -3.147 18356 6617 1 8 . 1 1 4 4 GLY N N 4 110.700 110.700 109.211 1.489 18356 6618 1 8 . 1 1 4 4 GLY C C 4 173.400 173.400 174.190 -0.790 18356 6619 1 8 . 1 1 4 4 GLY CA C 4 45.100 45.100 45.418 -0.318 18356 6620 1 8 . 1 1 4 4 GLY H H 4 8.320 8.320 8.171 0.149 18356 6621 1 8 . 1 1 5 5 VAL N N 5 119.400 119.400 119.801 -0.401 18356 6622 1 8 . 1 1 5 5 VAL HA H 5 4.200 4.200 4.157 0.043 18356 6623 1 8 . 1 1 5 5 VAL C C 5 175.300 175.300 175.663 -0.363 18356 6624 1 8 . 1 1 5 5 VAL CA C 5 61.700 61.700 63.216 -1.516 18356 6625 1 8 . 1 1 5 5 VAL CB C 5 33.100 33.100 32.443 0.657 18356 6626 1 8 . 1 1 5 5 VAL H H 5 7.810 7.810 7.596 0.214 18356 6627 1 8 . 1 1 6 6 MET N N 6 124.000 124.000 129.007 -5.007 18356 6628 1 8 . 1 1 6 6 MET HA H 6 4.650 4.650 4.771 -0.121 18356 6629 1 8 . 1 1 6 6 MET C C 6 174.800 174.800 174.847 -0.047 18356 6630 1 8 . 1 1 6 6 MET CA C 6 54.200 54.200 54.263 -0.063 18356 6631 1 8 . 1 1 6 6 MET CB C 6 36.000 36.000 36.182 -0.182 18356 6632 1 8 . 1 1 6 6 MET H H 6 8.180 8.180 8.990 -0.810 18356 6633 1 8 . 1 1 7 7 VAL N N 7 122.400 122.400 121.060 1.340 18356 6634 1 8 . 1 1 7 7 VAL HA H 7 4.090 4.090 4.175 -0.085 18356 6635 1 8 . 1 1 7 7 VAL C C 7 175.500 175.500 175.195 0.305 18356 6636 1 8 . 1 1 7 7 VAL CA C 7 62.300 62.300 61.265 1.035 18356 6637 1 8 . 1 1 7 7 VAL CB C 7 32.500 32.500 32.107 0.393 18356 6638 1 8 . 1 1 7 7 VAL H H 7 8.790 8.790 8.319 0.471 18356 6639 1 8 . 1 1 8 8 ASP N N 8 131.400 131.400 129.558 1.842 18356 6640 1 8 . 1 1 8 8 ASP HA H 8 4.710 4.710 4.800 -0.090 18356 6641 1 8 . 1 1 8 8 ASP C C 8 175.800 175.800 177.156 -1.356 18356 6642 1 8 . 1 1 8 8 ASP CA C 8 53.900 53.900 52.547 1.353 18356 6643 1 8 . 1 1 8 8 ASP CB C 8 44.800 44.800 42.952 1.848 18356 6644 1 8 . 1 1 8 8 ASP H H 8 8.800 8.800 8.288 0.512 18356 6645 1 8 . 1 1 9 9 PRO HA H 9 4.480 4.480 4.155 0.325 18356 6646 1 8 . 1 1 9 9 PRO CA C 9 63.000 63.000 65.126 -2.126 18356 6647 1 8 . 1 1 10 10 ASP N N 10 116.700 116.700 118.509 -1.809 18356 6648 1 8 . 1 1 10 10 ASP HA H 10 4.780 4.780 4.462 0.318 18356 6649 1 8 . 1 1 10 10 ASP C C 10 179.100 179.100 178.613 0.487 18356 6650 1 8 . 1 1 10 10 ASP CA C 10 56.200 56.200 57.351 -1.151 18356 6651 1 8 . 1 1 10 10 ASP CB C 10 40.700 40.700 40.851 -0.151 18356 6652 1 8 . 1 1 10 10 ASP H H 10 9.060 9.060 8.601 0.459 18356 6653 1 8 . 1 1 11 11 VAL N N 11 122.600 122.600 119.703 2.897 18356 6654 1 8 . 1 1 11 11 VAL HA H 11 3.630 3.630 4.066 -0.436 18356 6655 1 8 . 1 1 11 11 VAL C C 11 176.900 176.900 178.609 -1.709 18356 6656 1 8 . 1 1 11 11 VAL CA C 11 67.400 67.400 67.056 0.344 18356 6657 1 8 . 1 1 11 11 VAL CB C 11 31.100 31.100 31.775 -0.675 18356 6658 1 8 . 1 1 11 11 VAL H H 11 8.510 8.510 8.014 0.496 18356 6659 1 8 . 1 1 12 12 GLN N N 12 117.400 117.400 118.105 -0.705 18356 6660 1 8 . 1 1 12 12 GLN HA H 12 4.030 4.030 4.151 -0.121 18356 6661 1 8 . 1 1 12 12 GLN C C 12 178.800 178.800 178.769 0.031 18356 6662 1 8 . 1 1 12 12 GLN CA C 12 59.800 59.800 59.043 0.757 18356 6663 1 8 . 1 1 12 12 GLN CB C 12 29.000 29.000 28.481 0.519 18356 6664 1 8 . 1 1 12 12 GLN H H 12 7.740 7.740 7.915 -0.175 18356 6665 1 8 . 1 1 13 13 THR N N 13 113.600 113.600 115.804 -2.204 18356 6666 1 8 . 1 1 13 13 THR HA H 13 4.020 4.020 4.064 -0.044 18356 6667 1 8 . 1 1 13 13 THR C C 13 177.600 177.600 176.852 0.748 18356 6668 1 8 . 1 1 13 13 THR CA C 13 66.100 66.100 66.776 -0.676 18356 6669 1 8 . 1 1 13 13 THR CB C 13 68.400 68.400 68.518 -0.118 18356 6670 1 8 . 1 1 13 13 THR H H 13 7.910 7.910 8.098 -0.188 18356 6671 1 8 . 1 1 14 14 SER N N 14 118.100 118.100 117.050 1.050 18356 6672 1 8 . 1 1 14 14 SER HA H 14 4.330 4.330 4.387 -0.057 18356 6673 1 8 . 1 1 14 14 SER C C 14 175.900 175.900 176.118 -0.218 18356 6674 1 8 . 1 1 14 14 SER CA C 14 63.400 63.400 61.539 1.861 18356 6675 1 8 . 1 1 14 14 SER CB C 14 62.300 62.300 62.512 -0.212 18356 6676 1 8 . 1 1 14 14 SER H H 14 8.630 8.630 8.350 0.280 18356 6677 1 8 . 1 1 15 15 PHE N N 15 122.400 122.400 121.313 1.087 18356 6678 1 8 . 1 1 15 15 PHE HA H 15 4.260 4.260 4.501 -0.241 18356 6679 1 8 . 1 1 15 15 PHE C C 15 178.900 178.900 177.430 1.470 18356 6680 1 8 . 1 1 15 15 PHE CA C 15 62.200 62.200 60.985 1.215 18356 6681 1 8 . 1 1 15 15 PHE CB C 15 40.000 40.000 38.884 1.116 18356 6682 1 8 . 1 1 15 15 PHE H H 15 8.280 8.280 7.704 0.576 18356 6683 1 8 . 1 1 16 16 GLN N N 16 121.400 121.400 119.115 2.285 18356 6684 1 8 . 1 1 16 16 GLN HA H 16 3.970 3.970 4.116 -0.146 18356 6685 1 8 . 1 1 16 16 GLN C C 16 177.600 177.600 178.120 -0.520 18356 6686 1 8 . 1 1 16 16 GLN CA C 16 59.400 59.400 59.232 0.168 18356 6687 1 8 . 1 1 16 16 GLN CB C 16 28.100 28.100 28.530 -0.430 18356 6688 1 8 . 1 1 16 16 GLN H H 16 8.600 8.600 7.811 0.789 18356 6689 1 8 . 1 1 17 17 LYS N N 17 117.000 117.000 117.744 -0.744 18356 6690 1 8 . 1 1 17 17 LYS HA H 17 4.180 4.180 4.282 -0.102 18356 6691 1 8 . 1 1 17 17 LYS C C 17 175.200 175.200 178.445 -3.245 18356 6692 1 8 . 1 1 17 17 LYS CA C 17 58.800 58.800 58.733 0.067 18356 6693 1 8 . 1 1 17 17 LYS CB C 17 33.300 33.300 32.237 1.063 18356 6694 1 8 . 1 1 17 17 LYS H H 17 7.440 7.440 7.588 -0.148 18356 6695 1 8 . 1 1 18 18 LEU N N 18 118.900 118.900 123.037 -4.137 18356 6696 1 8 . 1 1 18 18 LEU HA H 18 4.440 4.440 4.541 -0.101 18356 6697 1 8 . 1 1 18 18 LEU C C 18 173.600 173.600 178.429 -4.829 18356 6698 1 8 . 1 1 18 18 LEU CA C 18 57.200 57.200 57.055 0.145 18356 6699 1 8 . 1 1 18 18 LEU CB C 18 44.200 44.200 42.053 2.147 18356 6700 1 8 . 1 1 18 18 LEU H H 18 7.510 7.510 7.557 -0.047 18356 6701 1 8 . 1 1 19 19 SER N N 19 110.200 110.200 114.415 -4.215 18356 6702 1 8 . 1 1 19 19 SER HA H 19 3.980 3.980 4.131 -0.151 18356 6703 1 8 . 1 1 19 19 SER C C 19 174.400 174.400 176.654 -2.254 18356 6704 1 8 . 1 1 19 19 SER CA C 19 59.500 59.500 61.806 -2.307 18356 6705 1 8 . 1 1 19 19 SER CB C 19 65.200 65.200 63.185 2.015 18356 6706 1 8 . 1 1 19 19 SER H H 19 7.860 7.860 8.299 -0.439 18356 6707 1 8 . 1 1 20 20 GLU N N 20 120.500 120.500 118.703 1.797 18356 6708 1 8 . 1 1 20 20 GLU HA H 20 4.530 4.530 4.414 0.116 18356 6709 1 8 . 1 1 20 20 GLU C C 20 176.100 176.100 177.110 -1.010 18356 6710 1 8 . 1 1 20 20 GLU CA C 20 55.400 55.400 56.374 -0.974 18356 6711 1 8 . 1 1 20 20 GLU CB C 20 31.700 31.700 30.383 1.317 18356 6712 1 8 . 1 1 20 20 GLU H H 20 7.990 7.990 7.795 0.195 18356 6713 1 8 . 1 1 21 21 GLY N N 21 107.000 107.000 108.481 -1.481 18356 6714 1 8 . 1 1 21 21 GLY C C 21 175.400 175.400 173.726 1.674 18356 6715 1 8 . 1 1 21 21 GLY CA C 21 46.800 46.800 44.859 1.941 18356 6716 1 8 . 1 1 21 21 GLY H H 21 8.480 8.480 7.644 0.836 18356 6717 1 8 . 1 1 22 22 ARG N N 22 124.100 124.100 123.671 0.429 18356 6718 1 8 . 1 1 22 22 ARG HA H 22 4.130 4.130 4.562 -0.432 18356 6719 1 8 . 1 1 22 22 ARG C C 22 175.900 175.900 176.518 -0.618 18356 6720 1 8 . 1 1 22 22 ARG CA C 22 56.900 56.900 55.700 1.200 18356 6721 1 8 . 1 1 22 22 ARG CB C 22 29.900 29.900 30.375 -0.475 18356 6722 1 8 . 1 1 22 22 ARG H H 22 8.680 8.680 8.712 -0.032 18356 6723 1 8 . 1 1 23 23 LYS N N 23 117.800 117.800 117.805 -0.005 18356 6724 1 8 . 1 1 23 23 LYS HA H 23 3.950 3.950 4.231 -0.281 18356 6725 1 8 . 1 1 23 23 LYS C C 23 176.200 176.200 177.798 -1.598 18356 6726 1 8 . 1 1 23 23 LYS CA C 23 57.200 57.200 58.603 -1.403 18356 6727 1 8 . 1 1 23 23 LYS CB C 23 29.900 29.900 32.243 -2.343 18356 6728 1 8 . 1 1 23 23 LYS H H 23 8.130 8.130 8.189 -0.059 18356 6729 1 8 . 1 1 24 24 GLU N N 24 117.900 117.900 118.691 -0.791 18356 6730 1 8 . 1 1 24 24 GLU HA H 24 3.910 3.910 4.198 -0.288 18356 6731 1 8 . 1 1 24 24 GLU C C 24 177.500 177.500 175.888 1.612 18356 6732 1 8 . 1 1 24 24 GLU CA C 24 58.500 58.500 56.531 1.969 18356 6733 1 8 . 1 1 24 24 GLU CB C 24 30.900 30.900 29.601 1.300 18356 6734 1 8 . 1 1 24 24 GLU H H 24 8.170 8.170 8.557 -0.387 18356 6735 1 8 . 1 1 25 25 TYR N N 25 113.100 113.100 121.073 -7.973 18356 6736 1 8 . 1 1 25 25 TYR HA H 25 4.530 4.530 4.647 -0.117 18356 6737 1 8 . 1 1 25 25 TYR C C 25 173.600 173.600 175.162 -1.562 18356 6738 1 8 . 1 1 25 25 TYR CA C 25 55.300 55.300 56.602 -1.302 18356 6739 1 8 . 1 1 25 25 TYR CB C 25 40.200 40.200 39.720 0.480 18356 6740 1 8 . 1 1 25 25 TYR H H 25 6.950 6.950 7.800 -0.850 18356 6741 1 8 . 1 1 26 26 ARG N N 26 120.500 120.500 128.441 -7.941 18356 6742 1 8 . 1 1 26 26 ARG HA H 26 4.660 4.660 4.325 0.335 18356 6743 1 8 . 1 1 26 26 ARG C C 26 174.600 174.600 175.346 -0.746 18356 6744 1 8 . 1 1 26 26 ARG CA C 26 54.000 54.000 57.191 -3.191 18356 6745 1 8 . 1 1 26 26 ARG CB C 26 31.500 31.500 30.852 0.648 18356 6746 1 8 . 1 1 26 26 ARG H H 26 9.450 9.450 8.482 0.968 18356 6747 1 8 . 1 1 27 27 TYR N N 27 109.700 109.700 114.393 -4.693 18356 6748 1 8 . 1 1 27 27 TYR HA H 27 4.930 4.930 5.123 -0.193 18356 6749 1 8 . 1 1 27 27 TYR C C 27 172.700 172.700 173.705 -1.005 18356 6750 1 8 . 1 1 27 27 TYR CA C 27 56.200 56.200 56.571 -0.371 18356 6751 1 8 . 1 1 27 27 TYR CB C 27 40.800 40.800 40.237 0.563 18356 6752 1 8 . 1 1 27 27 TYR H H 27 7.450 7.450 7.285 0.165 18356 6753 1 8 . 1 1 28 28 ILE N N 28 117.400 117.400 121.534 -4.134 18356 6754 1 8 . 1 1 28 28 ILE HA H 28 4.780 4.780 4.689 0.091 18356 6755 1 8 . 1 1 28 28 ILE C C 28 174.400 174.400 173.954 0.446 18356 6756 1 8 . 1 1 28 28 ILE CA C 28 60.200 60.200 59.450 0.750 18356 6757 1 8 . 1 1 28 28 ILE CB C 28 43.300 43.300 43.067 0.233 18356 6758 1 8 . 1 1 28 28 ILE H H 28 8.750 8.750 8.250 0.500 18356 6759 1 8 . 1 1 29 29 ILE N N 29 125.100 125.100 121.412 3.688 18356 6760 1 8 . 1 1 29 29 ILE HA H 29 4.670 4.670 5.499 -0.829 18356 6761 1 8 . 1 1 29 29 ILE C C 29 174.600 174.600 173.715 0.885 18356 6762 1 8 . 1 1 29 29 ILE CA C 29 60.800 60.800 59.095 1.705 18356 6763 1 8 . 1 1 29 29 ILE CB C 29 40.500 40.500 41.410 -0.910 18356 6764 1 8 . 1 1 29 29 ILE H H 29 9.180 9.180 8.944 0.236 18356 6765 1 8 . 1 1 30 30 PHE N N 30 126.100 126.100 123.092 3.008 18356 6766 1 8 . 1 1 30 30 PHE HA H 30 5.760 5.760 5.940 -0.180 18356 6767 1 8 . 1 1 30 30 PHE C C 30 174.100 174.100 174.967 -0.867 18356 6768 1 8 . 1 1 30 30 PHE CA C 30 55.900 55.900 56.368 -0.468 18356 6769 1 8 . 1 1 30 30 PHE CB C 30 42.300 42.300 43.532 -1.232 18356 6770 1 8 . 1 1 30 30 PHE H H 30 9.650 9.650 9.393 0.257 18356 6771 1 8 . 1 1 31 31 LYS N N 31 118.900 118.900 118.582 0.318 18356 6772 1 8 . 1 1 31 31 LYS HA H 31 5.320 5.320 5.005 0.315 18356 6773 1 8 . 1 1 31 31 LYS C C 31 173.000 173.000 174.724 -1.724 18356 6774 1 8 . 1 1 31 31 LYS CA C 31 53.800 53.800 55.099 -1.299 18356 6775 1 8 . 1 1 31 31 LYS CB C 31 38.100 38.100 36.878 1.222 18356 6776 1 8 . 1 1 31 31 LYS H H 31 8.990 8.990 8.464 0.526 18356 6777 1 8 . 1 1 32 32 ILE N N 32 120.500 120.500 120.827 -0.327 18356 6778 1 8 . 1 1 32 32 ILE HA H 32 4.780 4.780 4.323 0.457 18356 6779 1 8 . 1 1 32 32 ILE C C 32 175.200 175.200 175.079 0.121 18356 6780 1 8 . 1 1 32 32 ILE CA C 32 60.700 60.700 60.529 0.172 18356 6781 1 8 . 1 1 32 32 ILE CB C 32 41.300 41.300 38.784 2.516 18356 6782 1 8 . 1 1 32 32 ILE H H 32 8.420 8.420 8.370 0.050 18356 6783 1 8 . 1 1 33 33 ASP N N 33 130.100 130.100 127.574 2.526 18356 6784 1 8 . 1 1 33 33 ASP HA H 33 4.880 4.880 4.840 0.040 18356 6785 1 8 . 1 1 33 33 ASP C C 33 175.300 175.300 176.568 -1.268 18356 6786 1 8 . 1 1 33 33 ASP CA C 33 53.500 53.500 53.005 0.495 18356 6787 1 8 . 1 1 33 33 ASP CB C 33 44.500 44.500 43.702 0.798 18356 6788 1 8 . 1 1 33 33 ASP H H 33 9.270 9.270 8.282 0.988 18356 6789 1 8 . 1 1 34 34 GLU N N 34 123.600 123.600 123.466 0.134 18356 6790 1 8 . 1 1 34 34 GLU HA H 34 3.730 3.730 4.384 -0.654 18356 6791 1 8 . 1 1 34 34 GLU C C 34 175.000 175.000 177.681 -2.681 18356 6792 1 8 . 1 1 34 34 GLU CA C 34 58.200 58.200 57.960 0.240 18356 6793 1 8 . 1 1 34 34 GLU CB C 34 27.500 27.500 30.171 -2.671 18356 6794 1 8 . 1 1 34 34 GLU H H 34 9.040 9.040 8.916 0.124 18356 6795 1 8 . 1 1 35 35 ASN N N 35 114.200 114.200 116.576 -2.376 18356 6796 1 8 . 1 1 35 35 ASN HA H 35 4.380 4.380 4.706 -0.326 18356 6797 1 8 . 1 1 35 35 ASN C C 35 173.500 173.500 174.833 -1.333 18356 6798 1 8 . 1 1 35 35 ASN CA C 35 53.700 53.700 54.790 -1.090 18356 6799 1 8 . 1 1 35 35 ASN CB C 35 38.500 38.500 39.630 -1.130 18356 6800 1 8 . 1 1 35 35 ASN H H 35 8.570 8.570 8.942 -0.372 18356 6801 1 8 . 1 1 36 36 LYS N N 36 118.400 118.400 119.892 -1.492 18356 6802 1 8 . 1 1 36 36 LYS HA H 36 5.340 5.340 4.574 0.766 18356 6803 1 8 . 1 1 36 36 LYS C C 36 174.900 174.900 175.764 -0.864 18356 6804 1 8 . 1 1 36 36 LYS CA C 36 54.500 54.500 54.831 -0.331 18356 6805 1 8 . 1 1 36 36 LYS CB C 36 36.100 36.100 33.948 2.152 18356 6806 1 8 . 1 1 36 36 LYS H H 36 7.750 7.750 7.663 0.087 18356 6807 1 8 . 1 1 37 37 VAL N N 37 122.900 122.900 122.880 0.020 18356 6808 1 8 . 1 1 37 37 VAL HA H 37 4.550 4.550 4.390 0.160 18356 6809 1 8 . 1 1 37 37 VAL C C 37 174.600 174.600 174.186 0.414 18356 6810 1 8 . 1 1 37 37 VAL CA C 37 62.000 62.000 61.531 0.469 18356 6811 1 8 . 1 1 37 37 VAL CB C 37 32.300 32.300 29.581 2.719 18356 6812 1 8 . 1 1 37 37 VAL H H 37 8.790 8.790 8.888 -0.098 18356 6813 1 8 . 1 1 38 38 ILE N N 38 119.600 119.600 123.611 -4.011 18356 6814 1 8 . 1 1 38 38 ILE HA H 38 4.880 4.880 5.160 -0.280 18356 6815 1 8 . 1 1 38 38 ILE C C 38 176.200 176.200 175.741 0.459 18356 6816 1 8 . 1 1 38 38 ILE CA C 38 59.300 59.300 59.310 -0.010 18356 6817 1 8 . 1 1 38 38 ILE CB C 38 42.800 42.800 42.567 0.233 18356 6818 1 8 . 1 1 38 38 ILE H H 38 9.230 9.230 8.154 1.076 18356 6819 1 8 . 1 1 39 39 VAL N N 39 121.300 121.300 126.194 -4.894 18356 6820 1 8 . 1 1 39 39 VAL HA H 39 3.850 3.850 4.506 -0.656 18356 6821 1 8 . 1 1 39 39 VAL C C 39 175.300 175.300 175.988 -0.688 18356 6822 1 8 . 1 1 39 39 VAL CA C 39 63.900 63.900 62.542 1.358 18356 6823 1 8 . 1 1 39 39 VAL CB C 39 32.100 32.100 31.342 0.758 18356 6824 1 8 . 1 1 39 39 VAL H H 39 9.070 9.070 8.388 0.682 18356 6825 1 8 . 1 1 40 40 GLU N N 40 131.200 131.200 127.254 3.946 18356 6826 1 8 . 1 1 40 40 GLU HA H 40 4.270 4.270 4.755 -0.485 18356 6827 1 8 . 1 1 40 40 GLU C C 40 176.000 176.000 174.772 1.228 18356 6828 1 8 . 1 1 40 40 GLU CA C 40 57.200 57.200 54.302 2.898 18356 6829 1 8 . 1 1 40 40 GLU CB C 40 32.300 32.300 32.261 0.039 18356 6830 1 8 . 1 1 40 40 GLU H H 40 9.230 9.230 8.033 1.197 18356 6831 1 8 . 1 1 41 41 ALA N N 41 118.100 118.100 124.315 -6.215 18356 6832 1 8 . 1 1 41 41 ALA HA H 41 4.440 4.440 4.200 0.240 18356 6833 1 8 . 1 1 41 41 ALA C C 41 173.300 173.300 176.173 -2.873 18356 6834 1 8 . 1 1 41 41 ALA CA C 41 52.000 52.000 50.812 1.188 18356 6835 1 8 . 1 1 41 41 ALA CB C 41 21.800 21.800 19.476 2.324 18356 6836 1 8 . 1 1 41 41 ALA H H 41 7.670 7.670 8.431 -0.761 18356 6837 1 8 . 1 1 42 42 ALA N N 42 127.600 127.600 127.541 0.059 18356 6838 1 8 . 1 1 42 42 ALA HA H 42 4.520 4.520 4.812 -0.292 18356 6839 1 8 . 1 1 42 42 ALA C C 42 174.900 174.900 175.410 -0.510 18356 6840 1 8 . 1 1 42 42 ALA CA C 42 51.700 51.700 50.573 1.127 18356 6841 1 8 . 1 1 42 42 ALA CB C 42 19.100 19.100 22.788 -3.688 18356 6842 1 8 . 1 1 42 42 ALA H H 42 8.480 8.480 8.873 -0.393 18356 6843 1 8 . 1 1 43 43 VAL N N 43 124.900 124.900 116.694 8.206 18356 6844 1 8 . 1 1 43 43 VAL HA H 43 4.350 4.350 4.331 0.019 18356 6845 1 8 . 1 1 43 43 VAL C C 43 176.100 176.100 175.663 0.437 18356 6846 1 8 . 1 1 43 43 VAL CA C 43 62.100 62.100 61.101 0.999 18356 6847 1 8 . 1 1 43 43 VAL CB C 43 34.300 34.300 32.661 1.639 18356 6848 1 8 . 1 1 43 43 VAL H H 43 7.820 7.820 8.239 -0.419 18356 6849 1 8 . 1 1 44 44 THR N N 44 119.400 119.400 118.320 1.080 18356 6850 1 8 . 1 1 44 44 THR HA H 44 4.800 4.800 4.400 0.400 18356 6851 1 8 . 1 1 44 44 THR C C 44 174.300 174.300 175.941 -1.641 18356 6852 1 8 . 1 1 44 44 THR CA C 44 60.300 60.300 62.335 -2.035 18356 6853 1 8 . 1 1 44 44 THR CB C 44 71.200 71.200 69.819 1.381 18356 6854 1 8 . 1 1 44 44 THR H H 44 8.670 8.670 8.260 0.410 18356 6855 1 8 . 1 1 45 45 GLN N N 45 119.800 119.800 121.901 -2.101 18356 6856 1 8 . 1 1 45 45 GLN HA H 45 4.010 4.010 4.066 -0.056 18356 6857 1 8 . 1 1 45 45 GLN C C 45 179.600 179.600 177.117 2.483 18356 6858 1 8 . 1 1 45 45 GLN CA C 45 59.000 59.000 58.892 0.108 18356 6859 1 8 . 1 1 45 45 GLN CB C 45 27.600 27.600 28.096 -0.496 18356 6860 1 8 . 1 1 45 45 GLN H H 45 8.660 8.660 9.076 -0.416 18356 6861 1 8 . 1 1 46 46 ASP N N 46 117.300 117.300 118.420 -1.120 18356 6862 1 8 . 1 1 46 46 ASP HA H 46 4.390 4.390 4.367 0.023 18356 6863 1 8 . 1 1 46 46 ASP C C 46 178.900 178.900 177.063 1.837 18356 6864 1 8 . 1 1 46 46 ASP CA C 46 57.100 57.100 56.302 0.798 18356 6865 1 8 . 1 1 46 46 ASP CB C 46 40.800 40.800 39.503 1.297 18356 6866 1 8 . 1 1 46 46 ASP H H 46 8.430 8.430 8.654 -0.224 18356 6867 1 8 . 1 1 47 47 GLN N N 47 118.900 118.900 117.708 1.192 18356 6868 1 8 . 1 1 47 47 GLN HA H 47 4.030 4.030 4.474 -0.444 18356 6869 1 8 . 1 1 47 47 GLN C C 47 178.000 178.000 177.772 0.228 18356 6870 1 8 . 1 1 47 47 GLN CA C 47 57.800 57.800 58.206 -0.407 18356 6871 1 8 . 1 1 47 47 GLN CB C 47 29.100 29.100 28.478 0.622 18356 6872 1 8 . 1 1 47 47 GLN H H 47 7.830 7.830 7.807 0.023 18356 6873 1 8 . 1 1 48 48 LEU N N 48 118.100 118.100 116.661 1.439 18356 6874 1 8 . 1 1 48 48 LEU HA H 48 4.180 4.180 4.575 -0.395 18356 6875 1 8 . 1 1 48 48 LEU C C 48 177.600 177.600 178.004 -0.404 18356 6876 1 8 . 1 1 48 48 LEU CA C 48 56.300 56.300 56.224 0.076 18356 6877 1 8 . 1 1 48 48 LEU CB C 48 43.100 43.100 41.233 1.867 18356 6878 1 8 . 1 1 48 48 LEU H H 48 7.560 7.560 7.497 0.063 18356 6879 1 8 . 1 1 49 49 GLY N N 49 105.600 105.600 107.782 -2.182 18356 6880 1 8 . 1 1 49 49 GLY C C 49 174.700 174.700 174.414 0.286 18356 6881 1 8 . 1 1 49 49 GLY CA C 49 47.000 47.000 45.652 1.348 18356 6882 1 8 . 1 1 49 49 GLY H H 49 7.570 7.570 7.969 -0.399 18356 6883 1 8 . 1 1 50 50 ILE N N 50 117.700 117.700 122.763 -5.063 18356 6884 1 8 . 1 1 50 50 ILE HA H 50 4.340 4.340 4.426 -0.086 18356 6885 1 8 . 1 1 50 50 ILE C C 50 176.500 176.500 174.167 2.333 18356 6886 1 8 . 1 1 50 50 ILE CA C 50 59.900 59.900 60.353 -0.453 18356 6887 1 8 . 1 1 50 50 ILE CB C 50 38.900 38.900 39.820 -0.920 18356 6888 1 8 . 1 1 50 50 ILE H H 50 7.940 7.940 8.230 -0.290 18356 6889 1 8 . 1 1 51 51 THR N N 51 117.500 117.500 124.205 -6.705 18356 6890 1 8 . 1 1 51 51 THR HA H 51 4.420 4.420 4.468 -0.048 18356 6891 1 8 . 1 1 51 51 THR C C 51 174.900 174.900 175.266 -0.366 18356 6892 1 8 . 1 1 51 51 THR CA C 51 61.700 61.700 62.894 -1.194 18356 6893 1 8 . 1 1 51 51 THR CB C 51 69.900 69.900 68.878 1.022 18356 6894 1 8 . 1 1 51 51 THR H H 51 8.480 8.480 8.578 -0.098 18356 6895 1 8 . 1 1 52 52 GLY N N 52 111.200 111.200 116.918 -5.718 18356 6896 1 8 . 1 1 52 52 GLY C C 52 172.700 172.700 172.382 0.318 18356 6897 1 8 . 1 1 52 52 GLY CA C 52 44.600 44.600 44.717 -0.117 18356 6898 1 8 . 1 1 52 52 GLY H H 52 8.080 8.080 8.229 -0.149 18356 6899 1 8 . 1 1 53 53 ASP N N 53 120.800 120.800 119.965 0.835 18356 6900 1 8 . 1 1 53 53 ASP HA H 53 4.660 4.660 4.813 -0.153 18356 6901 1 8 . 1 1 53 53 ASP C C 53 177.800 177.800 174.949 2.851 18356 6902 1 8 . 1 1 53 53 ASP CA C 53 53.900 53.900 52.620 1.280 18356 6903 1 8 . 1 1 53 53 ASP CB C 53 42.700 42.700 43.325 -0.625 18356 6904 1 8 . 1 1 53 53 ASP H H 53 8.490 8.490 8.176 0.314 18356 6905 1 8 . 1 1 54 54 ASP N N 54 124.100 124.100 119.328 4.772 18356 6906 1 8 . 1 1 54 54 ASP HA H 54 4.630 4.630 4.498 0.132 18356 6907 1 8 . 1 1 54 54 ASP C C 54 177.100 177.100 177.047 0.053 18356 6908 1 8 . 1 1 54 54 ASP CA C 54 56.600 56.600 54.491 2.109 18356 6909 1 8 . 1 1 54 54 ASP CB C 54 42.800 42.800 41.648 1.151 18356 6910 1 8 . 1 1 54 54 ASP H H 54 8.500 8.500 8.473 0.027 18356 6911 1 8 . 1 1 55 55 TYR N N 55 114.900 114.900 118.690 -3.790 18356 6912 1 8 . 1 1 55 55 TYR HA H 55 4.560 4.560 4.279 0.281 18356 6913 1 8 . 1 1 55 55 TYR C C 55 178.900 178.900 177.058 1.842 18356 6914 1 8 . 1 1 55 55 TYR CA C 55 62.400 62.400 59.824 2.576 18356 6915 1 8 . 1 1 55 55 TYR CB C 55 37.300 37.300 37.778 -0.478 18356 6916 1 8 . 1 1 55 55 TYR H H 55 8.350 8.350 7.946 0.404 18356 6917 1 8 . 1 1 56 56 ASP N N 56 119.600 119.600 118.112 1.488 18356 6918 1 8 . 1 1 56 56 ASP HA H 56 4.560 4.560 4.256 0.304 18356 6919 1 8 . 1 1 56 56 ASP C C 56 177.300 177.300 176.291 1.009 18356 6920 1 8 . 1 1 56 56 ASP CA C 56 57.200 57.200 56.063 1.137 18356 6921 1 8 . 1 1 56 56 ASP CB C 56 40.600 40.600 40.876 -0.276 18356 6922 1 8 . 1 1 56 56 ASP H H 56 8.320 8.320 7.197 1.123 18356 6923 1 8 . 1 1 57 57 ASP N N 57 116.600 116.600 117.526 -0.926 18356 6924 1 8 . 1 1 57 57 ASP HA H 57 4.940 4.940 4.577 0.363 18356 6925 1 8 . 1 1 57 57 ASP C C 57 178.100 178.100 177.154 0.946 18356 6926 1 8 . 1 1 57 57 ASP CA C 57 52.400 52.400 55.173 -2.773 18356 6927 1 8 . 1 1 57 57 ASP CB C 57 41.100 41.100 42.518 -1.418 18356 6928 1 8 . 1 1 57 57 ASP H H 57 7.740 7.740 7.629 0.111 18356 6929 1 8 . 1 1 58 58 SER N N 58 117.600 117.600 112.828 4.772 18356 6930 1 8 . 1 1 58 58 SER HA H 58 4.800 4.800 4.586 0.214 18356 6931 1 8 . 1 1 58 58 SER C C 58 174.600 174.600 175.651 -1.051 18356 6932 1 8 . 1 1 58 58 SER CA C 58 60.200 60.200 58.503 1.697 18356 6933 1 8 . 1 1 58 58 SER CB C 58 63.000 63.000 64.982 -1.982 18356 6934 1 8 . 1 1 58 58 SER H H 58 8.130 8.130 7.957 0.173 18356 6935 1 8 . 1 1 59 59 SER N N 59 105.400 105.400 115.714 -10.314 18356 6936 1 8 . 1 1 59 59 SER HA H 59 4.580 4.580 4.030 0.550 18356 6937 1 8 . 1 1 59 59 SER C C 59 173.200 173.200 175.261 -2.061 18356 6938 1 8 . 1 1 59 59 SER CA C 59 60.500 60.500 62.206 -1.706 18356 6939 1 8 . 1 1 59 59 SER CB C 59 66.100 66.100 61.407 4.693 18356 6940 1 8 . 1 1 59 59 SER H H 59 9.010 9.010 8.877 0.133 18356 6941 1 8 . 1 1 60 60 LYS N N 60 123.100 123.100 123.574 -0.474 18356 6942 1 8 . 1 1 60 60 LYS HA H 60 4.080 4.080 4.274 -0.194 18356 6943 1 8 . 1 1 60 60 LYS C C 60 176.500 176.500 178.124 -1.624 18356 6944 1 8 . 1 1 60 60 LYS CA C 60 61.000 61.000 59.070 1.930 18356 6945 1 8 . 1 1 60 60 LYS CB C 60 32.800 32.800 32.507 0.293 18356 6946 1 8 . 1 1 60 60 LYS H H 60 7.450 7.450 8.272 -0.822 18356 6947 1 8 . 1 1 61 61 ALA N N 61 120.700 120.700 119.599 1.101 18356 6948 1 8 . 1 1 61 61 ALA HA H 61 4.130 4.130 4.175 -0.045 18356 6949 1 8 . 1 1 61 61 ALA C C 61 181.800 181.800 179.403 2.397 18356 6950 1 8 . 1 1 61 61 ALA CA C 61 55.500 55.500 54.489 1.011 18356 6951 1 8 . 1 1 61 61 ALA CB C 61 17.900 17.900 18.142 -0.242 18356 6952 1 8 . 1 1 61 61 ALA H H 61 8.800 8.800 7.936 0.864 18356 6953 1 8 . 1 1 62 62 ALA N N 62 119.900 119.900 119.815 0.085 18356 6954 1 8 . 1 1 62 62 ALA HA H 62 4.040 4.040 3.791 0.249 18356 6955 1 8 . 1 1 62 62 ALA C C 62 178.600 178.600 178.249 0.351 18356 6956 1 8 . 1 1 62 62 ALA CA C 62 55.400 55.400 53.803 1.597 18356 6957 1 8 . 1 1 62 62 ALA CB C 62 19.700 19.700 18.453 1.247 18356 6958 1 8 . 1 1 62 62 ALA H H 62 8.760 8.760 7.616 1.144 18356 6959 1 8 . 1 1 63 63 PHE N N 63 120.400 120.400 117.327 3.073 18356 6960 1 8 . 1 1 63 63 PHE HA H 63 3.660 3.660 4.122 -0.462 18356 6961 1 8 . 1 1 63 63 PHE C C 63 177.300 177.300 178.063 -0.763 18356 6962 1 8 . 1 1 63 63 PHE CA C 63 62.200 62.200 61.358 0.843 18356 6963 1 8 . 1 1 63 63 PHE CB C 63 39.600 39.600 38.956 0.644 18356 6964 1 8 . 1 1 63 63 PHE H H 63 9.380 9.380 7.436 1.944 18356 6965 1 8 . 1 1 64 64 ASP N N 64 119.700 119.700 117.931 1.769 18356 6966 1 8 . 1 1 64 64 ASP HA H 64 4.410 4.410 4.619 -0.209 18356 6967 1 8 . 1 1 64 64 ASP C C 64 180.200 180.200 178.003 2.197 18356 6968 1 8 . 1 1 64 64 ASP CA C 64 57.700 57.700 57.233 0.467 18356 6969 1 8 . 1 1 64 64 ASP CB C 64 39.600 39.600 40.675 -1.075 18356 6970 1 8 . 1 1 64 64 ASP H H 64 9.180 9.180 7.858 1.322 18356 6971 1 8 . 1 1 65 65 LYS N N 65 119.800 119.800 120.085 -0.285 18356 6972 1 8 . 1 1 65 65 LYS HA H 65 4.080 4.080 4.040 0.040 18356 6973 1 8 . 1 1 65 65 LYS C C 65 179.100 179.100 177.808 1.292 18356 6974 1 8 . 1 1 65 65 LYS CA C 65 59.600 59.600 58.563 1.037 18356 6975 1 8 . 1 1 65 65 LYS CB C 65 32.500 32.500 31.210 1.290 18356 6976 1 8 . 1 1 65 65 LYS H H 65 7.420 7.420 7.447 -0.027 18356 6977 1 8 . 1 1 66 66 PHE N N 66 123.400 123.400 118.659 4.741 18356 6978 1 8 . 1 1 66 66 PHE HA H 66 4.340 4.340 4.307 0.033 18356 6979 1 8 . 1 1 66 66 PHE C C 66 175.900 175.900 177.687 -1.787 18356 6980 1 8 . 1 1 66 66 PHE CA C 66 59.900 59.900 58.700 1.200 18356 6981 1 8 . 1 1 66 66 PHE CB C 66 38.300 38.300 38.167 0.133 18356 6982 1 8 . 1 1 66 66 PHE H H 66 8.000 8.000 7.278 0.722 18356 6983 1 8 . 1 1 67 67 VAL N N 67 120.200 120.200 119.990 0.210 18356 6984 1 8 . 1 1 67 67 VAL HA H 67 2.600 2.600 3.842 -1.242 18356 6985 1 8 . 1 1 67 67 VAL C C 67 177.700 177.700 177.571 0.129 18356 6986 1 8 . 1 1 67 67 VAL CA C 67 67.100 67.100 64.891 2.209 18356 6987 1 8 . 1 1 67 67 VAL CB C 67 31.700 31.700 32.000 -0.299 18356 6988 1 8 . 1 1 67 67 VAL H H 67 8.500 8.500 7.695 0.805 18356 6989 1 8 . 1 1 68 68 GLU N N 68 118.300 118.300 120.556 -2.256 18356 6990 1 8 . 1 1 68 68 GLU HA H 68 3.800 3.800 4.026 -0.226 18356 6991 1 8 . 1 1 68 68 GLU C C 68 178.800 178.800 177.786 1.014 18356 6992 1 8 . 1 1 68 68 GLU CA C 68 59.500 59.500 58.998 0.502 18356 6993 1 8 . 1 1 68 68 GLU CB C 68 29.400 29.400 29.255 0.145 18356 6994 1 8 . 1 1 68 68 GLU H H 68 7.510 7.510 7.785 -0.275 18356 6995 1 8 . 1 1 69 69 ASP N N 69 121.400 121.400 117.630 3.770 18356 6996 1 8 . 1 1 69 69 ASP HA H 69 4.360 4.360 4.485 -0.125 18356 6997 1 8 . 1 1 69 69 ASP C C 69 178.100 178.100 178.045 0.055 18356 6998 1 8 . 1 1 69 69 ASP CA C 69 56.500 56.500 56.623 -0.123 18356 6999 1 8 . 1 1 69 69 ASP CB C 69 40.900 40.900 40.620 0.280 18356 7000 1 8 . 1 1 69 69 ASP H H 69 7.750 7.750 7.703 0.047 18356 7001 1 8 . 1 1 70 70 VAL N N 70 117.600 117.600 118.942 -1.342 18356 7002 1 8 . 1 1 70 70 VAL HA H 70 3.050 3.050 3.650 -0.600 18356 7003 1 8 . 1 1 70 70 VAL C C 70 179.900 179.900 178.161 1.739 18356 7004 1 8 . 1 1 70 70 VAL CA C 70 67.500 67.500 66.464 1.036 18356 7005 1 8 . 1 1 70 70 VAL CB C 70 32.400 32.400 31.794 0.606 18356 7006 1 8 . 1 1 70 70 VAL H H 70 8.230 8.230 7.582 0.648 18356 7007 1 8 . 1 1 71 71 LYS N N 71 120.900 120.900 118.474 2.426 18356 7008 1 8 . 1 1 71 71 LYS HA H 71 3.450 3.450 4.135 -0.685 18356 7009 1 8 . 1 1 71 71 LYS C C 71 177.700 177.700 178.260 -0.560 18356 7010 1 8 . 1 1 71 71 LYS CA C 71 61.900 61.900 58.932 2.968 18356 7011 1 8 . 1 1 71 71 LYS CB C 71 32.400 32.400 31.339 1.061 18356 7012 1 8 . 1 1 71 71 LYS H H 71 8.900 8.900 7.700 1.200 18356 7013 1 8 . 1 1 72 72 SER N N 72 114.200 114.200 116.322 -2.122 18356 7014 1 8 . 1 1 72 72 SER HA H 72 4.340 4.340 4.624 -0.284 18356 7015 1 8 . 1 1 72 72 SER C C 72 178.300 178.300 176.483 1.817 18356 7016 1 8 . 1 1 72 72 SER CA C 72 61.500 61.500 60.709 0.791 18356 7017 1 8 . 1 1 72 72 SER CB C 72 63.000 63.000 63.092 -0.092 18356 7018 1 8 . 1 1 72 72 SER H H 72 8.000 8.000 7.746 0.254 18356 7019 1 8 . 1 1 73 73 ARG N N 73 119.700 119.700 117.195 2.505 18356 7020 1 8 . 1 1 73 73 ARG HA H 73 4.160 4.160 4.366 -0.206 18356 7021 1 8 . 1 1 73 73 ARG C C 73 177.000 177.000 176.755 0.245 18356 7022 1 8 . 1 1 73 73 ARG CA C 73 58.700 58.700 56.924 1.776 18356 7023 1 8 . 1 1 73 73 ARG CB C 73 30.300 30.300 30.173 0.127 18356 7024 1 8 . 1 1 73 73 ARG H H 73 8.430 8.430 7.642 0.788 18356 7025 1 8 . 1 1 74 74 THR N N 74 103.500 103.500 109.192 -5.692 18356 7026 1 8 . 1 1 74 74 THR HA H 74 4.210 4.210 4.402 -0.192 18356 7027 1 8 . 1 1 74 74 THR C C 74 173.500 173.500 175.733 -2.233 18356 7028 1 8 . 1 1 74 74 THR CA C 74 60.300 60.300 63.498 -3.198 18356 7029 1 8 . 1 1 74 74 THR CB C 74 70.100 70.100 70.495 -0.395 18356 7030 1 8 . 1 1 74 74 THR H H 74 7.400 7.400 7.633 -0.233 18356 7031 1 8 . 1 1 75 75 ASP N N 75 121.300 121.300 121.469 -0.169 18356 7032 1 8 . 1 1 75 75 ASP HA H 75 4.280 4.280 4.425 -0.145 18356 7033 1 8 . 1 1 75 75 ASP C C 75 176.500 176.500 176.566 -0.066 18356 7034 1 8 . 1 1 75 75 ASP CA C 75 55.300 55.300 55.656 -0.356 18356 7035 1 8 . 1 1 75 75 ASP CB C 75 38.400 38.400 40.632 -2.232 18356 7036 1 8 . 1 1 75 75 ASP H H 75 7.900 7.900 8.534 -0.634 18356 7037 1 8 . 1 1 76 76 ASN N N 76 116.400 116.400 120.021 -3.621 18356 7038 1 8 . 1 1 76 76 ASN HA H 76 4.000 4.000 4.817 -0.817 18356 7039 1 8 . 1 1 76 76 ASN C C 76 173.600 173.600 175.847 -2.247 18356 7040 1 8 . 1 1 76 76 ASN CA C 76 54.000 54.000 52.976 1.024 18356 7041 1 8 . 1 1 76 76 ASN CB C 76 36.600 36.600 39.609 -3.010 18356 7042 1 8 . 1 1 76 76 ASN H H 76 9.070 9.070 7.640 1.430 18356 7043 1 8 . 1 1 77 77 LEU N N 77 112.300 112.300 124.027 -11.727 18356 7044 1 8 . 1 1 77 77 LEU HA H 77 3.670 3.670 4.179 -0.509 18356 7045 1 8 . 1 1 77 77 LEU C C 77 175.200 175.200 177.078 -1.878 18356 7046 1 8 . 1 1 77 77 LEU CA C 77 55.900 55.900 56.686 -0.786 18356 7047 1 8 . 1 1 77 77 LEU CB C 77 37.900 37.900 41.880 -3.980 18356 7048 1 8 . 1 1 77 77 LEU H H 77 7.840 7.840 8.492 -0.652 18356 7049 1 8 . 1 1 78 78 THR N N 78 106.000 106.000 114.813 -8.813 18356 7050 1 8 . 1 1 78 78 THR HA H 78 4.220 4.220 4.506 -0.286 18356 7051 1 8 . 1 1 78 78 THR C C 78 172.200 172.200 172.793 -0.593 18356 7052 1 8 . 1 1 78 78 THR CA C 78 60.600 60.600 62.063 -1.463 18356 7053 1 8 . 1 1 78 78 THR CB C 78 69.300 69.300 69.673 -0.373 18356 7054 1 8 . 1 1 78 78 THR H H 78 8.240 8.240 7.683 0.557 18356 7055 1 8 . 1 1 79 79 ASP N N 79 118.600 118.600 123.648 -5.048 18356 7056 1 8 . 1 1 79 79 ASP HA H 79 4.730 4.730 4.823 -0.093 18356 7057 1 8 . 1 1 79 79 ASP C C 79 173.000 173.000 174.746 -1.746 18356 7058 1 8 . 1 1 79 79 ASP CA C 79 51.500 51.500 53.172 -1.672 18356 7059 1 8 . 1 1 79 79 ASP CB C 79 44.300 44.300 42.978 1.322 18356 7060 1 8 . 1 1 79 79 ASP H H 79 7.490 7.490 7.985 -0.495 18356 7061 1 8 . 1 1 80 80 CYS N N 80 115.900 115.900 119.518 -3.618 18356 7062 1 8 . 1 1 80 80 CYS HA H 80 4.470 4.470 4.507 -0.037 18356 7063 1 8 . 1 1 80 80 CYS C C 80 174.000 174.000 174.249 -0.249 18356 7064 1 8 . 1 1 80 80 CYS CA C 80 56.300 56.300 58.692 -2.392 18356 7065 1 8 . 1 1 80 80 CYS CB C 80 29.500 29.500 29.374 0.126 18356 7066 1 8 . 1 1 80 80 CYS H H 80 8.480 8.480 8.627 -0.147 18356 7067 1 8 . 1 1 81 81 ARG N N 81 115.600 115.600 123.053 -7.453 18356 7068 1 8 . 1 1 81 81 ARG HA H 81 4.680 4.680 4.619 0.061 18356 7069 1 8 . 1 1 81 81 ARG C C 81 175.500 175.500 173.834 1.666 18356 7070 1 8 . 1 1 81 81 ARG CA C 81 54.200 54.200 54.671 -0.471 18356 7071 1 8 . 1 1 81 81 ARG CB C 81 39.000 39.000 33.597 5.403 18356 7072 1 8 . 1 1 81 81 ARG H H 81 8.380 8.380 7.676 0.704 18356 7073 1 8 . 1 1 82 82 TYR N N 82 114.200 114.200 124.030 -9.830 18356 7074 1 8 . 1 1 82 82 TYR HA H 82 5.780 5.780 5.391 0.389 18356 7075 1 8 . 1 1 82 82 TYR C C 82 175.200 175.200 174.601 0.599 18356 7076 1 8 . 1 1 82 82 TYR CA C 82 55.200 55.200 55.761 -0.561 18356 7077 1 8 . 1 1 82 82 TYR CB C 82 42.200 42.200 42.338 -0.138 18356 7078 1 8 . 1 1 82 82 TYR H H 82 8.170 8.170 8.762 -0.592 18356 7079 1 8 . 1 1 83 83 ALA N N 83 121.300 121.300 125.724 -4.424 18356 7080 1 8 . 1 1 83 83 ALA HA H 83 5.730 5.730 5.033 0.697 18356 7081 1 8 . 1 1 83 83 ALA C C 83 175.900 175.900 175.168 0.732 18356 7082 1 8 . 1 1 83 83 ALA CA C 83 52.000 52.000 50.514 1.486 18356 7083 1 8 . 1 1 83 83 ALA CB C 83 24.300 24.300 21.459 2.841 18356 7084 1 8 . 1 1 83 83 ALA H H 83 8.780 8.780 8.295 0.485 18356 7085 1 8 . 1 1 84 84 VAL N N 84 111.700 111.700 123.992 -12.292 18356 7086 1 8 . 1 1 84 84 VAL HA H 84 6.180 6.180 5.164 1.016 18356 7087 1 8 . 1 1 84 84 VAL C C 84 176.900 176.900 174.778 2.122 18356 7088 1 8 . 1 1 84 84 VAL CA C 84 58.800 58.800 61.501 -2.701 18356 7089 1 8 . 1 1 84 84 VAL CB C 84 35.600 35.600 34.107 1.493 18356 7090 1 8 . 1 1 84 84 VAL H H 84 9.150 9.150 8.803 0.347 18356 7091 1 8 . 1 1 85 85 PHE N N 85 121.600 121.600 121.993 -0.393 18356 7092 1 8 . 1 1 85 85 PHE HA H 85 4.710 4.710 4.924 -0.214 18356 7093 1 8 . 1 1 85 85 PHE C C 85 176.500 176.500 172.799 3.701 18356 7094 1 8 . 1 1 85 85 PHE CA C 85 57.200 57.200 57.180 0.020 18356 7095 1 8 . 1 1 85 85 PHE CB C 85 43.900 43.900 41.661 2.239 18356 7096 1 8 . 1 1 85 85 PHE H H 85 8.780 8.780 7.928 0.852 18356 7097 1 8 . 1 1 86 86 ASP N N 86 126.700 126.700 119.592 7.108 18356 7098 1 8 . 1 1 86 86 ASP HA H 86 4.830 4.830 4.875 -0.045 18356 7099 1 8 . 1 1 86 86 ASP C C 86 171.800 171.800 174.498 -2.698 18356 7100 1 8 . 1 1 86 86 ASP CA C 86 54.300 54.300 53.154 1.146 18356 7101 1 8 . 1 1 86 86 ASP CB C 86 40.300 40.300 42.820 -2.520 18356 7102 1 8 . 1 1 86 86 ASP H H 86 7.490 7.490 8.563 -1.073 18356 7103 1 8 . 1 1 87 87 PHE N N 87 135.000 135.000 121.549 13.451 18356 7104 1 8 . 1 1 87 87 PHE HA H 87 3.980 3.980 4.622 -0.642 18356 7105 1 8 . 1 1 87 87 PHE C C 87 173.600 173.600 174.092 -0.492 18356 7106 1 8 . 1 1 87 87 PHE CA C 87 59.700 59.700 56.882 2.818 18356 7107 1 8 . 1 1 87 87 PHE CB C 87 42.900 42.900 43.012 -0.112 18356 7108 1 8 . 1 1 87 87 PHE H H 87 9.600 9.600 8.797 0.803 18356 7109 1 8 . 1 1 88 88 LYS N N 88 127.700 127.700 129.125 -1.425 18356 7110 1 8 . 1 1 88 88 LYS HA H 88 5.260 5.260 4.642 0.618 18356 7111 1 8 . 1 1 88 88 LYS C C 88 176.200 176.200 175.231 0.969 18356 7112 1 8 . 1 1 88 88 LYS CA C 88 55.500 55.500 55.986 -0.486 18356 7113 1 8 . 1 1 88 88 LYS CB C 88 33.100 33.100 31.234 1.866 18356 7114 1 8 . 1 1 88 88 LYS H H 88 7.550 7.550 8.206 -0.656 18356 7115 1 8 . 1 1 89 89 PHE N N 89 119.700 119.700 122.828 -3.128 18356 7116 1 8 . 1 1 89 89 PHE HA H 89 5.290 5.290 4.890 0.400 18356 7117 1 8 . 1 1 89 89 PHE C C 89 172.100 172.100 173.710 -1.610 18356 7118 1 8 . 1 1 89 89 PHE CA C 89 56.300 56.300 54.422 1.878 18356 7119 1 8 . 1 1 89 89 PHE CB C 89 40.200 40.200 41.152 -0.952 18356 7120 1 8 . 1 1 89 89 PHE H H 89 9.600 9.600 8.846 0.754 18356 7121 1 8 . 1 1 90 90 THR N N 90 111.800 111.800 111.358 0.442 18356 7122 1 8 . 1 1 90 90 THR HA H 90 5.170 5.170 4.461 0.709 18356 7123 1 8 . 1 1 90 90 THR C C 90 174.100 174.100 173.920 0.180 18356 7124 1 8 . 1 1 90 90 THR CA C 90 60.500 60.500 60.503 -0.003 18356 7125 1 8 . 1 1 90 90 THR CB C 90 71.200 71.200 70.581 0.619 18356 7126 1 8 . 1 1 90 90 THR H H 90 8.170 8.170 8.275 -0.105 18356 7127 1 8 . 1 1 91 91 CYS N N 91 121.300 121.300 124.385 -3.085 18356 7128 1 8 . 1 1 91 91 CYS HA H 91 4.880 4.880 4.707 0.173 18356 7129 1 8 . 1 1 91 91 CYS C C 91 173.600 173.600 175.020 -1.420 18356 7130 1 8 . 1 1 91 91 CYS CA C 91 57.200 57.200 57.263 -0.063 18356 7131 1 8 . 1 1 91 91 CYS CB C 91 30.300 30.300 30.262 0.038 18356 7132 1 8 . 1 1 91 91 CYS H H 91 8.810 8.810 8.363 0.447 18356 7133 1 8 . 1 1 92 92 SER N N 92 120.800 120.800 118.099 2.701 18356 7134 1 8 . 1 1 92 92 SER HA H 92 4.180 4.180 4.397 -0.217 18356 7135 1 8 . 1 1 92 92 SER C C 92 173.600 173.600 174.369 -0.769 18356 7136 1 8 . 1 1 92 92 SER CA C 92 58.300 58.300 58.595 -0.295 18356 7137 1 8 . 1 1 92 92 SER CB C 92 64.000 64.000 63.660 0.340 18356 7138 1 8 . 1 1 92 92 SER H H 92 8.960 8.960 8.497 0.463 18356 7139 1 8 . 1 1 93 93 ARG N N 93 123.600 123.600 127.649 -4.049 18356 7140 1 8 . 1 1 93 93 ARG HA H 93 4.710 4.710 4.321 0.389 18356 7141 1 8 . 1 1 93 93 ARG C C 93 176.300 176.300 174.962 1.338 18356 7142 1 8 . 1 1 93 93 ARG CA C 93 54.800 54.800 55.694 -0.894 18356 7143 1 8 . 1 1 93 93 ARG CB C 93 32.800 32.800 28.273 4.527 18356 7144 1 8 . 1 1 93 93 ARG H H 93 8.140 8.140 8.657 -0.517 18356 7145 1 8 . 1 1 94 94 VAL N N 94 124.700 124.700 123.340 1.360 18356 7146 1 8 . 1 1 94 94 VAL HA H 94 3.850 3.850 4.384 -0.534 18356 7147 1 8 . 1 1 94 94 VAL C C 94 177.400 177.400 175.991 1.409 18356 7148 1 8 . 1 1 94 94 VAL CA C 94 64.300 64.300 61.223 3.077 18356 7149 1 8 . 1 1 94 94 VAL CB C 94 31.900 31.900 33.785 -1.885 18356 7150 1 8 . 1 1 94 94 VAL H H 94 8.880 8.880 7.962 0.918 18356 7151 1 8 . 1 1 95 95 GLY N N 95 115.100 115.100 116.854 -1.754 18356 7152 1 8 . 1 1 95 95 GLY C C 95 174.100 174.100 173.683 0.417 18356 7153 1 8 . 1 1 95 95 GLY CA C 95 45.800 45.800 45.535 0.265 18356 7154 1 8 . 1 1 95 95 GLY H H 95 8.900 8.900 8.943 -0.043 18356 7155 1 8 . 1 1 96 96 ALA N N 96 123.000 123.000 125.686 -2.686 18356 7156 1 8 . 1 1 96 96 ALA HA H 96 4.520 4.520 4.527 -0.007 18356 7157 1 8 . 1 1 96 96 ALA C C 96 177.500 177.500 176.650 0.850 18356 7158 1 8 . 1 1 96 96 ALA CA C 96 52.100 52.100 50.994 1.106 18356 7159 1 8 . 1 1 96 96 ALA CB C 96 20.300 20.300 21.532 -1.232 18356 7160 1 8 . 1 1 96 96 ALA H H 96 8.070 8.070 7.802 0.268 18356 7161 1 8 . 1 1 97 97 GLY N N 97 107.800 107.800 108.616 -0.816 18356 7162 1 8 . 1 1 97 97 GLY C C 97 174.000 174.000 173.960 0.040 18356 7163 1 8 . 1 1 97 97 GLY CA C 97 45.300 45.300 45.264 0.036 18356 7164 1 8 . 1 1 97 97 GLY H H 97 8.270 8.270 8.694 -0.424 18356 7165 1 8 . 1 1 98 98 THR N N 98 115.600 115.600 118.816 -3.216 18356 7166 1 8 . 1 1 98 98 THR HA H 98 4.720 4.720 4.337 0.383 18356 7167 1 8 . 1 1 98 98 THR C C 98 174.300 174.300 173.891 0.409 18356 7168 1 8 . 1 1 98 98 THR CA C 98 61.900 61.900 62.389 -0.489 18356 7169 1 8 . 1 1 98 98 THR CB C 98 70.400 70.400 70.373 0.027 18356 7170 1 8 . 1 1 98 98 THR H H 98 8.330 8.330 7.833 0.497 18356 7171 1 8 . 1 1 99 99 SER N N 99 119.900 119.900 118.192 1.708 18356 7172 1 8 . 1 1 99 99 SER HA H 99 4.660 4.660 4.658 0.002 18356 7173 1 8 . 1 1 99 99 SER C C 99 173.000 173.000 173.274 -0.274 18356 7174 1 8 . 1 1 99 99 SER CA C 99 57.700 57.700 57.381 0.319 18356 7175 1 8 . 1 1 99 99 SER CB C 99 65.300 65.300 65.933 -0.633 18356 7176 1 8 . 1 1 99 99 SER H H 99 8.760 8.760 8.755 0.005 18356 7177 1 8 . 1 1 100 100 LYS N N 100 123.800 123.800 119.434 4.366 18356 7178 1 8 . 1 1 100 100 LYS HA H 100 4.260 4.260 4.820 -0.560 18356 7179 1 8 . 1 1 100 100 LYS C C 100 175.600 175.600 174.937 0.663 18356 7180 1 8 . 1 1 100 100 LYS CA C 100 56.900 56.900 55.393 1.507 18356 7181 1 8 . 1 1 100 100 LYS CB C 100 33.000 33.000 33.513 -0.513 18356 7182 1 8 . 1 1 100 100 LYS H H 100 8.280 8.280 8.346 -0.066 18356 7183 1 8 . 1 1 101 101 MET N N 101 123.200 123.200 123.608 -0.408 18356 7184 1 8 . 1 1 101 101 MET HA H 101 4.510 4.510 4.765 -0.255 18356 7185 1 8 . 1 1 101 101 MET C C 101 172.700 172.700 173.751 -1.051 18356 7186 1 8 . 1 1 101 101 MET CA C 101 54.600 54.600 54.739 -0.139 18356 7187 1 8 . 1 1 101 101 MET CB C 101 35.900 35.900 36.877 -0.977 18356 7188 1 8 . 1 1 101 101 MET H H 101 8.910 8.910 8.343 0.567 18356 7189 1 8 . 1 1 102 102 ASP N N 102 119.000 119.000 120.249 -1.249 18356 7190 1 8 . 1 1 102 102 ASP HA H 102 5.690 5.690 4.816 0.874 18356 7191 1 8 . 1 1 102 102 ASP C C 102 175.600 175.600 175.314 0.286 18356 7192 1 8 . 1 1 102 102 ASP CA C 102 52.500 52.500 53.787 -1.287 18356 7193 1 8 . 1 1 102 102 ASP CB C 102 42.700 42.700 40.864 1.836 18356 7194 1 8 . 1 1 102 102 ASP H H 102 8.030 8.030 8.381 -0.351 18356 7195 1 8 . 1 1 103 103 LYS N N 103 122.100 122.100 122.683 -0.583 18356 7196 1 8 . 1 1 103 103 LYS HA H 103 4.810 4.810 4.701 0.109 18356 7197 1 8 . 1 1 103 103 LYS C C 103 174.400 174.400 175.471 -1.071 18356 7198 1 8 . 1 1 103 103 LYS CA C 103 53.400 53.400 53.460 -0.060 18356 7199 1 8 . 1 1 103 103 LYS CB C 103 36.500 36.500 35.306 1.194 18356 7200 1 8 . 1 1 103 103 LYS H H 103 9.340 9.340 8.620 0.720 18356 7201 1 8 . 1 1 104 104 ILE N N 104 123.500 123.500 126.101 -2.601 18356 7202 1 8 . 1 1 104 104 ILE HA H 104 3.780 3.780 4.377 -0.597 18356 7203 1 8 . 1 1 104 104 ILE C C 104 175.900 175.900 174.362 1.538 18356 7204 1 8 . 1 1 104 104 ILE CA C 104 61.700 61.700 61.006 0.694 18356 7205 1 8 . 1 1 104 104 ILE CB C 104 37.700 37.700 39.099 -1.399 18356 7206 1 8 . 1 1 104 104 ILE H H 104 8.810 8.810 8.863 -0.053 18356 7207 1 8 . 1 1 105 105 ILE N N 105 119.200 119.200 124.204 -5.004 18356 7208 1 8 . 1 1 105 105 ILE HA H 105 5.310 5.310 4.698 0.612 18356 7209 1 8 . 1 1 105 105 ILE C C 105 174.200 174.200 173.511 0.689 18356 7210 1 8 . 1 1 105 105 ILE CA C 105 59.700 59.700 58.724 0.976 18356 7211 1 8 . 1 1 105 105 ILE CB C 105 39.800 39.800 40.695 -0.895 18356 7212 1 8 . 1 1 105 105 ILE H H 105 8.130 8.130 8.340 -0.210 18356 7213 1 8 . 1 1 106 106 PHE N N 106 125.800 125.800 121.611 4.189 18356 7214 1 8 . 1 1 106 106 PHE HA H 106 5.680 5.680 5.434 0.246 18356 7215 1 8 . 1 1 106 106 PHE C C 106 173.500 173.500 173.343 0.157 18356 7216 1 8 . 1 1 106 106 PHE CA C 106 56.000 56.000 56.152 -0.152 18356 7217 1 8 . 1 1 106 106 PHE CB C 106 43.000 43.000 43.510 -0.510 18356 7218 1 8 . 1 1 106 106 PHE H H 106 9.570 9.570 8.666 0.904 18356 7219 1 8 . 1 1 107 107 LEU N N 107 125.900 125.900 122.609 3.291 18356 7220 1 8 . 1 1 107 107 LEU HA H 107 5.300 5.300 5.213 0.087 18356 7221 1 8 . 1 1 107 107 LEU C C 107 174.600 174.600 174.876 -0.276 18356 7222 1 8 . 1 1 107 107 LEU CA C 107 53.300 53.300 53.025 0.275 18356 7223 1 8 . 1 1 107 107 LEU CB C 107 44.400 44.400 44.789 -0.389 18356 7224 1 8 . 1 1 107 107 LEU H H 107 9.320 9.320 7.546 1.774 18356 7225 1 8 . 1 1 108 108 GLN N N 108 124.800 124.800 121.925 2.875 18356 7226 1 8 . 1 1 108 108 GLN HA H 108 4.670 4.670 4.804 -0.134 18356 7227 1 8 . 1 1 108 108 GLN C C 108 173.900 173.900 175.411 -1.511 18356 7228 1 8 . 1 1 108 108 GLN CA C 108 55.500 55.500 55.145 0.355 18356 7229 1 8 . 1 1 108 108 GLN CB C 108 30.200 30.200 29.252 0.948 18356 7230 1 8 . 1 1 108 108 GLN H H 108 8.620 8.620 8.932 -0.312 18356 7231 1 8 . 1 1 109 109 ILE N N 109 128.400 128.400 126.303 2.097 18356 7232 1 8 . 1 1 109 109 ILE HA H 109 4.340 4.340 4.832 -0.492 18356 7233 1 8 . 1 1 109 109 ILE C C 109 173.800 173.800 175.411 -1.611 18356 7234 1 8 . 1 1 109 109 ILE CA C 109 61.500 61.500 59.510 1.990 18356 7235 1 8 . 1 1 109 109 ILE CB C 109 37.600 37.600 36.938 0.661 18356 7236 1 8 . 1 1 109 109 ILE H H 109 8.550 8.550 8.868 -0.318 18356 7237 1 8 . 1 1 110 110 CYS N N 110 125.800 125.800 129.336 -3.536 18356 7238 1 8 . 1 1 110 110 CYS HA H 110 5.340 5.340 4.787 0.553 18356 7239 1 8 . 1 1 110 110 CYS C C 110 171.200 171.200 172.559 -1.359 18356 7240 1 8 . 1 1 110 110 CYS CA C 110 54.400 54.400 55.238 -0.838 18356 7241 1 8 . 1 1 110 110 CYS CB C 110 29.400 29.400 28.133 1.267 18356 7242 1 8 . 1 1 110 110 CYS H H 110 8.330 8.330 8.462 -0.132 18356 7243 1 8 . 1 1 111 111 PRO HA H 111 4.470 4.470 4.453 0.017 18356 7244 1 8 . 1 1 111 111 PRO CA C 111 59.500 59.500 63.116 -3.616 18356 7245 1 8 . 1 1 112 112 ASP N N 112 120.600 120.600 124.046 -3.446 18356 7246 1 8 . 1 1 112 112 ASP HA H 112 4.260 4.260 4.387 -0.127 18356 7247 1 8 . 1 1 112 112 ASP C C 112 177.400 177.400 178.410 -1.010 18356 7248 1 8 . 1 1 112 112 ASP CA C 112 57.700 57.700 57.373 0.327 18356 7249 1 8 . 1 1 112 112 ASP CB C 112 41.300 41.300 40.563 0.737 18356 7250 1 8 . 1 1 112 112 ASP H H 112 8.390 8.390 8.756 -0.366 18356 7251 1 8 . 1 1 113 113 GLY N N 113 103.400 103.400 107.077 -3.677 18356 7252 1 8 . 1 1 113 113 GLY C C 113 174.500 174.500 173.797 0.703 18356 7253 1 8 . 1 1 113 113 GLY CA C 113 45.500 45.500 44.476 1.024 18356 7254 1 8 . 1 1 113 113 GLY H H 113 8.520 8.520 8.330 0.190 18356 7255 1 8 . 1 1 114 114 ALA N N 114 122.000 122.000 123.196 -1.196 18356 7256 1 8 . 1 1 114 114 ALA HA H 114 4.360 4.360 4.508 -0.147 18356 7257 1 8 . 1 1 114 114 ALA C C 114 176.200 176.200 175.893 0.307 18356 7258 1 8 . 1 1 114 114 ALA CA C 114 51.000 51.000 50.882 0.118 18356 7259 1 8 . 1 1 114 114 ALA CB C 114 20.500 20.500 20.769 -0.269 18356 7260 1 8 . 1 1 114 114 ALA H H 114 7.560 7.560 7.225 0.335 18356 7261 1 8 . 1 1 115 115 SER N N 115 115.900 115.900 113.475 2.425 18356 7262 1 8 . 1 1 115 115 SER HA H 115 4.400 4.400 4.352 0.048 18356 7263 1 8 . 1 1 115 115 SER C C 115 175.600 175.600 175.596 0.004 18356 7264 1 8 . 1 1 115 115 SER CA C 115 57.700 57.700 58.233 -0.533 18356 7265 1 8 . 1 1 115 115 SER CB C 115 64.400 64.400 64.230 0.170 18356 7266 1 8 . 1 1 115 115 SER H H 115 8.620 8.620 8.358 0.262 18356 7267 1 8 . 1 1 116 116 ILE N N 116 123.700 123.700 125.053 -1.353 18356 7268 1 8 . 1 1 116 116 ILE HA H 116 4.740 4.740 3.881 0.859 18356 7269 1 8 . 1 1 116 116 ILE C C 116 177.600 177.600 176.571 1.029 18356 7270 1 8 . 1 1 116 116 ILE CA C 116 61.900 61.900 64.021 -2.121 18356 7271 1 8 . 1 1 116 116 ILE CB C 116 37.800 37.800 38.063 -0.264 18356 7272 1 8 . 1 1 116 116 ILE H H 116 8.810 8.810 8.645 0.165 18356 7273 1 8 . 1 1 117 117 LYS N N 117 119.200 119.200 118.772 0.428 18356 7274 1 8 . 1 1 117 117 LYS HA H 117 4.080 4.080 4.048 0.032 18356 7275 1 8 . 1 1 117 117 LYS C C 117 179.400 179.400 178.596 0.804 18356 7276 1 8 . 1 1 117 117 LYS CA C 117 59.600 59.600 59.016 0.584 18356 7277 1 8 . 1 1 117 117 LYS CB C 117 32.700 32.700 31.058 1.642 18356 7278 1 8 . 1 1 117 117 LYS H H 117 8.140 8.140 8.455 -0.315 18356 7279 1 8 . 1 1 118 118 LYS N N 118 118.700 118.700 119.317 -0.617 18356 7280 1 8 . 1 1 118 118 LYS HA H 118 4.290 4.290 3.849 0.441 18356 7281 1 8 . 1 1 118 118 LYS C C 118 178.700 178.700 178.855 -0.155 18356 7282 1 8 . 1 1 118 118 LYS CA C 118 58.500 58.500 58.076 0.424 18356 7283 1 8 . 1 1 118 118 LYS CB C 118 32.500 32.500 31.849 0.651 18356 7284 1 8 . 1 1 118 118 LYS H H 118 7.570 7.570 7.521 0.049 18356 7285 1 8 . 1 1 119 119 LYS N N 119 118.900 118.900 118.498 0.402 18356 7286 1 8 . 1 1 119 119 LYS HA H 119 4.340 4.340 4.172 0.168 18356 7287 1 8 . 1 1 119 119 LYS C C 119 179.600 179.600 178.024 1.576 18356 7288 1 8 . 1 1 119 119 LYS CA C 119 61.300 61.300 58.854 2.446 18356 7289 1 8 . 1 1 119 119 LYS CB C 119 32.300 32.300 32.147 0.153 18356 7290 1 8 . 1 1 119 119 LYS H H 119 8.450 8.450 7.312 1.138 18356 7291 1 8 . 1 1 120 120 MET N N 120 117.400 117.400 117.063 0.337 18356 7292 1 8 . 1 1 120 120 MET HA H 120 4.290 4.290 4.480 -0.190 18356 7293 1 8 . 1 1 120 120 MET C C 120 179.500 179.500 177.813 1.687 18356 7294 1 8 . 1 1 120 120 MET CA C 120 59.100 59.100 56.489 2.611 18356 7295 1 8 . 1 1 120 120 MET CB C 120 32.400 32.400 32.977 -0.577 18356 7296 1 8 . 1 1 120 120 MET H H 120 8.420 8.420 7.555 0.865 18356 7297 1 8 . 1 1 121 121 VAL N N 121 121.800 121.800 120.098 1.702 18356 7298 1 8 . 1 1 121 121 VAL HA H 121 3.980 3.980 3.900 0.080 18356 7299 1 8 . 1 1 121 121 VAL C C 121 179.200 179.200 179.119 0.081 18356 7300 1 8 . 1 1 121 121 VAL CA C 121 66.200 66.200 66.488 -0.288 18356 7301 1 8 . 1 1 121 121 VAL CB C 121 32.300 32.300 30.942 1.358 18356 7302 1 8 . 1 1 121 121 VAL H H 121 8.000 8.000 8.565 -0.565 18356 7303 1 8 . 1 1 122 122 TYR N N 122 121.300 121.300 118.760 2.540 18356 7304 1 8 . 1 1 122 122 TYR HA H 122 4.230 4.230 4.292 -0.062 18356 7305 1 8 . 1 1 122 122 TYR C C 122 180.700 180.700 178.042 2.658 18356 7306 1 8 . 1 1 122 122 TYR CA C 122 61.400 61.400 59.268 2.132 18356 7307 1 8 . 1 1 122 122 TYR CB C 122 38.300 38.300 36.782 1.518 18356 7308 1 8 . 1 1 122 122 TYR H H 122 8.610 8.610 7.817 0.793 18356 7309 1 8 . 1 1 123 123 ALA N N 123 124.000 124.000 121.446 2.554 18356 7310 1 8 . 1 1 123 123 ALA HA H 123 4.360 4.360 4.159 0.201 18356 7311 1 8 . 1 1 123 123 ALA C C 123 180.800 180.800 179.367 1.433 18356 7312 1 8 . 1 1 123 123 ALA CA C 123 55.800 55.800 54.789 1.011 18356 7313 1 8 . 1 1 123 123 ALA CB C 123 18.200 18.200 18.286 -0.086 18356 7314 1 8 . 1 1 123 123 ALA H H 123 8.760 8.760 7.907 0.853 18356 7315 1 8 . 1 1 124 124 SER N N 124 113.200 113.200 113.205 -0.005 18356 7316 1 8 . 1 1 124 124 SER HA H 124 4.340 4.340 4.303 0.037 18356 7317 1 8 . 1 1 124 124 SER C C 124 176.400 176.400 175.299 1.101 18356 7318 1 8 . 1 1 124 124 SER CA C 124 61.500 61.500 60.982 0.518 18356 7319 1 8 . 1 1 124 124 SER CB C 124 63.300 63.300 63.168 0.132 18356 7320 1 8 . 1 1 124 124 SER H H 124 8.500 8.500 8.093 0.407 18356 7321 1 8 . 1 1 125 125 SER N N 125 115.200 115.200 114.851 0.349 18356 7322 1 8 . 1 1 125 125 SER HA H 125 4.460 4.460 4.412 0.048 18356 7323 1 8 . 1 1 125 125 SER C C 125 173.100 173.100 175.328 -2.228 18356 7324 1 8 . 1 1 125 125 SER CA C 125 59.400 59.400 60.135 -0.735 18356 7325 1 8 . 1 1 125 125 SER CB C 125 63.400 63.400 63.387 0.013 18356 7326 1 8 . 1 1 125 125 SER H H 125 7.480 7.480 7.465 0.015 18356 7327 1 8 . 1 1 126 126 ALA N N 126 122.600 122.600 124.495 -1.895 18356 7328 1 8 . 1 1 126 126 ALA HA H 126 3.780 3.780 4.038 -0.258 18356 7329 1 8 . 1 1 126 126 ALA C C 126 178.600 178.600 178.776 -0.176 18356 7330 1 8 . 1 1 126 126 ALA CA C 126 54.900 54.900 54.611 0.289 18356 7331 1 8 . 1 1 126 126 ALA CB C 126 18.700 18.700 18.038 0.662 18356 7332 1 8 . 1 1 126 126 ALA H H 126 7.100 7.100 7.345 -0.245 18356 7333 1 8 . 1 1 127 127 ALA N N 127 118.800 118.800 119.330 -0.530 18356 7334 1 8 . 1 1 127 127 ALA HA H 127 3.860 3.860 3.887 -0.027 18356 7335 1 8 . 1 1 127 127 ALA C C 127 179.700 179.700 178.399 1.301 18356 7336 1 8 . 1 1 127 127 ALA CA C 127 55.200 55.200 54.712 0.488 18356 7337 1 8 . 1 1 127 127 ALA CB C 127 17.700 17.700 18.238 -0.538 18356 7338 1 8 . 1 1 127 127 ALA H H 127 8.480 8.480 7.815 0.665 18356 7339 1 8 . 1 1 128 128 ALA N N 128 120.700 120.700 121.618 -0.918 18356 7340 1 8 . 1 1 128 128 ALA HA H 128 3.990 3.990 4.136 -0.146 18356 7341 1 8 . 1 1 128 128 ALA C C 128 180.600 180.600 179.236 1.364 18356 7342 1 8 . 1 1 128 128 ALA CA C 128 55.100 55.100 54.542 0.558 18356 7343 1 8 . 1 1 128 128 ALA CB C 128 17.900 17.900 18.482 -0.582 18356 7344 1 8 . 1 1 128 128 ALA H H 128 7.800 7.800 7.435 0.365 18356 7345 1 8 . 1 1 129 129 ILE N N 129 114.900 114.900 119.675 -4.775 18356 7346 1 8 . 1 1 129 129 ILE HA H 129 3.780 3.780 3.613 0.167 18356 7347 1 8 . 1 1 129 129 ILE C C 129 176.100 176.100 176.819 -0.719 18356 7348 1 8 . 1 1 129 129 ILE CA C 129 63.300 63.300 63.198 0.102 18356 7349 1 8 . 1 1 129 129 ILE CB C 129 37.200 37.200 37.566 -0.366 18356 7350 1 8 . 1 1 129 129 ILE H H 129 7.180 7.180 7.374 -0.194 18356 7351 1 8 . 1 1 130 130 LYS N N 130 122.400 122.400 117.771 4.629 18356 7352 1 8 . 1 1 130 130 LYS HA H 130 3.870 3.870 3.391 0.479 18356 7353 1 8 . 1 1 130 130 LYS C C 130 178.400 178.400 178.289 0.111 18356 7354 1 8 . 1 1 130 130 LYS CA C 130 61.100 61.100 59.163 1.937 18356 7355 1 8 . 1 1 130 130 LYS CB C 130 31.500 31.500 31.361 0.139 18356 7356 1 8 . 1 1 130 130 LYS H H 130 7.870 7.870 7.962 -0.092 18356 7357 1 8 . 1 1 131 131 THR N N 131 113.000 113.000 115.892 -2.892 18356 7358 1 8 . 1 1 131 131 THR HA H 131 3.870 3.870 4.092 -0.222 18356 7359 1 8 . 1 1 131 131 THR C C 131 176.300 176.300 176.512 -0.212 18356 7360 1 8 . 1 1 131 131 THR CA C 131 65.900 65.900 65.467 0.433 18356 7361 1 8 . 1 1 131 131 THR CB C 131 68.700 68.700 68.183 0.517 18356 7362 1 8 . 1 1 131 131 THR H H 131 8.000 8.000 7.437 0.563 18356 7363 1 8 . 1 1 132 132 SER N N 132 117.300 117.300 116.594 0.706 18356 7364 1 8 . 1 1 132 132 SER HA H 132 4.100 4.100 4.255 -0.155 18356 7365 1 8 . 1 1 132 132 SER C C 132 174.900 174.900 174.179 0.721 18356 7366 1 8 . 1 1 132 132 SER CA C 132 61.900 61.900 60.755 1.145 18356 7367 1 8 . 1 1 132 132 SER CB C 132 63.300 63.300 63.035 0.265 18356 7368 1 8 . 1 1 132 132 SER H H 132 7.290 7.290 7.629 -0.339 18356 7369 1 8 . 1 1 133 133 LEU N N 133 118.100 118.100 114.107 3.993 18356 7370 1 8 . 1 1 133 133 LEU HA H 133 3.700 3.700 4.220 -0.520 18356 7371 1 8 . 1 1 133 133 LEU C C 133 176.600 176.600 176.131 0.469 18356 7372 1 8 . 1 1 133 133 LEU CA C 133 56.300 56.300 54.138 2.162 18356 7373 1 8 . 1 1 133 133 LEU CB C 133 40.400 40.400 42.566 -2.166 18356 7374 1 8 . 1 1 133 133 LEU H H 133 7.330 7.330 6.842 0.488 18356 7375 1 8 . 1 1 134 134 GLY N N 134 105.600 105.600 105.249 0.351 18356 7376 1 8 . 1 1 134 134 GLY C C 134 174.800 174.800 173.957 0.843 18356 7377 1 8 . 1 1 134 134 GLY CA C 134 45.300 45.300 45.452 -0.152 18356 7378 1 8 . 1 1 134 134 GLY H H 134 7.420 7.420 7.858 -0.438 18356 7379 1 8 . 1 1 135 135 THR N N 135 116.600 116.600 117.624 -1.024 18356 7380 1 8 . 1 1 135 135 THR HA H 135 3.870 3.870 4.020 -0.150 18356 7381 1 8 . 1 1 135 135 THR C C 135 176.000 176.000 175.170 0.830 18356 7382 1 8 . 1 1 135 135 THR CA C 135 63.900 63.900 64.132 -0.232 18356 7383 1 8 . 1 1 135 135 THR CB C 135 68.600 68.600 68.568 0.032 18356 7384 1 8 . 1 1 135 135 THR H H 135 8.450 8.450 8.327 0.123 18356 7385 1 8 . 1 1 136 136 GLY N N 136 109.300 109.300 106.879 2.421 18356 7386 1 8 . 1 1 136 136 GLY C C 136 175.000 175.000 174.001 0.999 18356 7387 1 8 . 1 1 136 136 GLY CA C 136 45.700 45.700 44.846 0.854 18356 7388 1 8 . 1 1 136 136 GLY H H 136 8.720 8.720 8.281 0.439 18356 7389 1 8 . 1 1 137 137 LYS N N 137 118.500 118.500 118.627 -0.127 18356 7390 1 8 . 1 1 137 137 LYS HA H 137 4.500 4.500 4.498 0.002 18356 7391 1 8 . 1 1 137 137 LYS C C 137 176.200 176.200 175.615 0.585 18356 7392 1 8 . 1 1 137 137 LYS CA C 137 56.300 56.300 55.990 0.310 18356 7393 1 8 . 1 1 137 137 LYS CB C 137 34.100 34.100 33.771 0.329 18356 7394 1 8 . 1 1 137 137 LYS H H 137 8.110 8.110 7.614 0.496 18356 7395 1 8 . 1 1 138 138 ILE N N 138 111.400 111.400 116.588 -5.188 18356 7396 1 8 . 1 1 138 138 ILE HA H 138 5.050 5.050 5.115 -0.065 18356 7397 1 8 . 1 1 138 138 ILE C C 138 174.700 174.700 174.374 0.326 18356 7398 1 8 . 1 1 138 138 ILE CA C 138 59.500 59.500 58.822 0.678 18356 7399 1 8 . 1 1 138 138 ILE CB C 138 41.600 41.600 41.264 0.336 18356 7400 1 8 . 1 1 138 138 ILE H H 138 7.270 7.270 7.317 -0.047 18356 7401 1 8 . 1 1 139 139 LEU N N 139 124.600 124.600 125.298 -0.698 18356 7402 1 8 . 1 1 139 139 LEU HA H 139 4.690 4.690 4.754 -0.064 18356 7403 1 8 . 1 1 139 139 LEU C C 139 175.600 175.600 175.142 0.458 18356 7404 1 8 . 1 1 139 139 LEU CA C 139 54.200 54.200 53.771 0.429 18356 7405 1 8 . 1 1 139 139 LEU CB C 139 43.800 43.800 42.911 0.889 18356 7406 1 8 . 1 1 139 139 LEU H H 139 8.450 8.450 8.147 0.303 18356 7407 1 8 . 1 1 140 140 GLN N N 140 123.500 123.500 122.610 0.890 18356 7408 1 8 . 1 1 140 140 GLN HA H 140 5.350 5.350 5.740 -0.390 18356 7409 1 8 . 1 1 140 140 GLN C C 140 174.900 174.900 174.594 0.306 18356 7410 1 8 . 1 1 140 140 GLN CA C 140 55.800 55.800 53.739 2.061 18356 7411 1 8 . 1 1 140 140 GLN CB C 140 30.900 30.900 31.657 -0.757 18356 7412 1 8 . 1 1 140 140 GLN H H 140 8.590 8.590 8.377 0.213 18356 7413 1 8 . 1 1 141 141 PHE N N 141 120.500 120.500 121.074 -0.574 18356 7414 1 8 . 1 1 141 141 PHE HA H 141 4.870 4.870 4.783 0.087 18356 7415 1 8 . 1 1 141 141 PHE C C 141 174.700 174.700 173.929 0.771 18356 7416 1 8 . 1 1 141 141 PHE CA C 141 57.300 57.300 57.104 0.196 18356 7417 1 8 . 1 1 141 141 PHE CB C 141 42.800 42.800 44.427 -1.627 18356 7418 1 8 . 1 1 141 141 PHE H H 141 9.280 9.280 8.386 0.894 18356 7419 1 8 . 1 1 142 142 GLN N N 142 123.700 123.700 124.239 -0.539 18356 7420 1 8 . 1 1 142 142 GLN HA H 142 4.880 4.880 5.025 -0.145 18356 7421 1 8 . 1 1 142 142 GLN C C 142 174.900 174.900 174.662 0.238 18356 7422 1 8 . 1 1 142 142 GLN CA C 142 55.500 55.500 55.024 0.476 18356 7423 1 8 . 1 1 142 142 GLN CB C 142 30.200 30.200 29.672 0.528 18356 7424 1 8 . 1 1 142 142 GLN H H 142 9.080 9.080 8.670 0.410 18356 7425 1 8 . 1 1 143 143 VAL N N 143 120.900 120.900 122.985 -2.085 18356 7426 1 8 . 1 1 143 143 VAL HA H 143 4.600 4.600 4.653 -0.053 18356 7427 1 8 . 1 1 143 143 VAL C C 143 174.800 174.800 174.026 0.774 18356 7428 1 8 . 1 1 143 143 VAL CA C 143 60.900 60.900 60.002 0.898 18356 7429 1 8 . 1 1 143 143 VAL CB C 143 35.700 35.700 35.402 0.298 18356 7430 1 8 . 1 1 143 143 VAL H H 143 8.560 8.560 8.670 -0.110 18356 7431 1 8 . 1 1 144 144 SER N N 144 120.500 120.500 114.964 5.536 18356 7432 1 8 . 1 1 144 144 SER HA H 144 4.740 4.740 4.530 0.210 18356 7433 1 8 . 1 1 144 144 SER C C 144 173.200 173.200 174.173 -0.973 18356 7434 1 8 . 1 1 144 144 SER CA C 144 58.200 58.200 58.830 -0.630 18356 7435 1 8 . 1 1 144 144 SER CB C 144 65.600 65.600 63.869 1.731 18356 7436 1 8 . 1 1 144 144 SER H H 144 9.640 9.640 8.380 1.260 18356 7437 1 8 . 1 1 145 145 ASP N N 145 118.600 118.600 122.402 -3.802 18356 7438 1 8 . 1 1 145 145 ASP HA H 145 4.700 4.700 4.457 0.243 18356 7439 1 8 . 1 1 145 145 ASP C C 145 175.500 175.500 176.847 -1.347 18356 7440 1 8 . 1 1 145 145 ASP CA C 145 53.300 53.300 54.688 -1.387 18356 7441 1 8 . 1 1 145 145 ASP CB C 145 44.100 44.100 41.739 2.361 18356 7442 1 8 . 1 1 145 145 ASP H H 145 7.760 7.760 8.199 -0.439 18356 7443 1 8 . 1 1 146 146 GLU N N 146 119.900 119.900 123.628 -3.728 18356 7444 1 8 . 1 1 146 146 GLU HA H 146 3.780 3.780 4.073 -0.293 18356 7445 1 8 . 1 1 146 146 GLU C C 146 177.800 177.800 178.094 -0.294 18356 7446 1 8 . 1 1 146 146 GLU CA C 146 59.700 59.700 58.457 1.243 18356 7447 1 8 . 1 1 146 146 GLU CB C 146 29.800 29.800 29.953 -0.153 18356 7448 1 8 . 1 1 146 146 GLU H H 146 8.950 8.950 8.893 0.057 18356 7449 1 8 . 1 1 147 147 SER N N 147 116.700 116.700 115.394 1.306 18356 7450 1 8 . 1 1 147 147 SER HA H 147 4.190 4.190 4.183 0.007 18356 7451 1 8 . 1 1 147 147 SER C C 147 176.600 176.600 175.663 0.937 18356 7452 1 8 . 1 1 147 147 SER CA C 147 61.500 61.500 61.288 0.212 18356 7453 1 8 . 1 1 147 147 SER CB C 147 60.100 60.100 63.159 -3.059 18356 7454 1 8 . 1 1 147 147 SER H H 147 8.660 8.660 8.148 0.512 18356 7455 1 8 . 1 1 148 148 GLU N N 148 120.300 120.300 118.480 1.820 18356 7456 1 8 . 1 1 148 148 GLU HA H 148 4.160 4.160 4.154 0.006 18356 7457 1 8 . 1 1 148 148 GLU C C 148 176.200 176.200 177.294 -1.094 18356 7458 1 8 . 1 1 148 148 GLU CA C 148 57.600 57.600 57.367 0.233 18356 7459 1 8 . 1 1 148 148 GLU CB C 148 30.900 30.900 29.840 1.060 18356 7460 1 8 . 1 1 148 148 GLU H H 148 7.940 7.940 8.047 -0.107 18356 7461 1 8 . 1 1 149 149 MET N N 149 116.000 116.000 121.033 -5.033 18356 7462 1 8 . 1 1 149 149 MET HA H 149 4.530 4.530 4.447 0.083 18356 7463 1 8 . 1 1 149 149 MET C C 149 173.000 173.000 174.631 -1.631 18356 7464 1 8 . 1 1 149 149 MET CA C 149 53.400 53.400 55.529 -2.129 18356 7465 1 8 . 1 1 149 149 MET CB C 149 32.900 32.900 31.370 1.530 18356 7466 1 8 . 1 1 149 149 MET H H 149 7.500 7.500 7.507 -0.007 18356 7467 1 8 . 1 1 150 150 SER N N 150 112.400 112.400 113.804 -1.404 18356 7468 1 8 . 1 1 150 150 SER HA H 150 4.710 4.710 4.953 -0.243 18356 7469 1 8 . 1 1 150 150 SER C C 150 174.100 174.100 174.405 -0.305 18356 7470 1 8 . 1 1 150 150 SER CA C 150 56.900 56.900 56.489 0.411 18356 7471 1 8 . 1 1 150 150 SER CB C 150 65.300 65.300 66.240 -0.940 18356 7472 1 8 . 1 1 150 150 SER H H 150 7.100 7.100 7.762 -0.662 18356 7473 1 8 . 1 1 151 151 HIS N N 151 125.700 125.700 121.987 3.713 18356 7474 1 8 . 1 1 151 151 HIS HA H 151 4.670 4.670 4.342 0.328 18356 7475 1 8 . 1 1 151 151 HIS C C 151 175.900 175.900 176.703 -0.803 18356 7476 1 8 . 1 1 151 151 HIS CA C 151 62.300 62.300 58.738 3.562 18356 7477 1 8 . 1 1 151 151 HIS CB C 151 31.900 31.900 29.607 2.293 18356 7478 1 8 . 1 1 151 151 HIS H H 151 9.510 9.510 9.026 0.484 18356 7479 1 8 . 1 1 152 152 LYS N N 152 115.700 115.700 121.039 -5.339 18356 7480 1 8 . 1 1 152 152 LYS HA H 152 3.690 3.690 3.766 -0.076 18356 7481 1 8 . 1 1 152 152 LYS C C 152 178.700 178.700 178.195 0.505 18356 7482 1 8 . 1 1 152 152 LYS CA C 152 59.200 59.200 58.880 0.320 18356 7483 1 8 . 1 1 152 152 LYS CB C 152 32.700 32.700 31.398 1.302 18356 7484 1 8 . 1 1 152 152 LYS H H 152 8.380 8.380 7.854 0.526 18356 7485 1 8 . 1 1 153 153 GLU N N 153 117.400 117.400 119.027 -1.627 18356 7486 1 8 . 1 1 153 153 GLU HA H 153 4.070 4.070 4.254 -0.184 18356 7487 1 8 . 1 1 153 153 GLU C C 153 179.100 179.100 178.508 0.592 18356 7488 1 8 . 1 1 153 153 GLU CA C 153 58.500 58.500 57.374 1.125 18356 7489 1 8 . 1 1 153 153 GLU CB C 153 29.300 29.300 29.711 -0.411 18356 7490 1 8 . 1 1 153 153 GLU H H 153 7.360 7.360 8.079 -0.719 18356 7491 1 8 . 1 1 154 154 LEU N N 154 121.200 121.200 122.178 -0.978 18356 7492 1 8 . 1 1 154 154 LEU HA H 154 3.530 3.530 3.943 -0.413 18356 7493 1 8 . 1 1 154 154 LEU C C 154 178.300 178.300 178.061 0.239 18356 7494 1 8 . 1 1 154 154 LEU CA C 154 57.300 57.300 58.492 -1.192 18356 7495 1 8 . 1 1 154 154 LEU CB C 154 40.500 40.500 42.005 -1.505 18356 7496 1 8 . 1 1 154 154 LEU H H 154 7.730 7.730 7.528 0.202 18356 7497 1 8 . 1 1 155 155 LEU N N 155 118.500 118.500 114.171 4.329 18356 7498 1 8 . 1 1 155 155 LEU HA H 155 3.410 3.410 4.210 -0.800 18356 7499 1 8 . 1 1 155 155 LEU C C 155 179.900 179.900 178.560 1.340 18356 7500 1 8 . 1 1 155 155 LEU CA C 155 57.600 57.600 57.200 0.400 18356 7501 1 8 . 1 1 155 155 LEU CB C 155 41.200 41.200 41.051 0.149 18356 7502 1 8 . 1 1 155 155 LEU H H 155 8.350 8.350 7.626 0.724 18356 7503 1 8 . 1 1 156 156 ASN N N 156 117.900 117.900 119.915 -2.015 18356 7504 1 8 . 1 1 156 156 ASN HA H 156 4.360 4.360 4.431 -0.071 18356 7505 1 8 . 1 1 156 156 ASN C C 156 178.000 178.000 177.029 0.971 18356 7506 1 8 . 1 1 156 156 ASN CA C 156 56.300 56.300 56.902 -0.602 18356 7507 1 8 . 1 1 156 156 ASN CB C 156 38.400 38.400 38.631 -0.231 18356 7508 1 8 . 1 1 156 156 ASN H H 156 7.750 7.750 7.875 -0.125 18356 7509 1 8 . 1 1 157 157 LYS N N 157 119.800 119.800 119.281 0.519 18356 7510 1 8 . 1 1 157 157 LYS HA H 157 4.080 4.080 4.032 0.048 18356 7511 1 8 . 1 1 157 157 LYS C C 157 179.800 179.800 178.886 0.914 18356 7512 1 8 . 1 1 157 157 LYS CA C 157 59.100 59.100 59.033 0.066 18356 7513 1 8 . 1 1 157 157 LYS CB C 157 32.500 32.500 31.767 0.733 18356 7514 1 8 . 1 1 157 157 LYS H H 157 7.770 7.770 8.331 -0.561 18356 7515 1 8 . 1 1 158 158 LEU N N 158 120.900 120.900 121.387 -0.487 18356 7516 1 8 . 1 1 158 158 LEU HA H 158 3.950 3.950 4.216 -0.266 18356 7517 1 8 . 1 1 158 158 LEU C C 158 179.000 179.000 178.690 0.310 18356 7518 1 8 . 1 1 158 158 LEU CA C 158 57.800 57.800 57.257 0.543 18356 7519 1 8 . 1 1 158 158 LEU CB C 158 41.200 41.200 41.612 -0.412 18356 7520 1 8 . 1 1 158 158 LEU H H 158 8.200 8.200 7.371 0.829 18356 7521 1 8 . 1 1 159 159 GLY N N 159 106.500 106.500 107.049 -0.549 18356 7522 1 8 . 1 1 159 159 GLY C C 159 176.300 176.300 175.865 0.435 18356 7523 1 8 . 1 1 159 159 GLY CA C 159 46.900 46.900 47.372 -0.472 18356 7524 1 8 . 1 1 159 159 GLY H H 159 8.290 8.290 8.505 -0.215 18356 7525 1 8 . 1 1 160 160 GLU N N 160 120.700 120.700 120.061 0.639 18356 7526 1 8 . 1 1 160 160 GLU HA H 160 4.070 4.070 4.102 -0.032 18356 7527 1 8 . 1 1 160 160 GLU C C 160 177.800 177.800 177.284 0.516 18356 7528 1 8 . 1 1 160 160 GLU CA C 160 58.300 58.300 59.247 -0.947 18356 7529 1 8 . 1 1 160 160 GLU CB C 160 30.000 30.000 29.869 0.131 18356 7530 1 8 . 1 1 160 160 GLU H H 160 7.850 7.850 8.500 -0.650 18356 7531 1 8 . 1 1 161 161 LYS N N 161 118.100 118.100 115.235 2.865 18356 7532 1 8 . 1 1 161 161 LYS HA H 161 4.070 4.070 4.241 -0.171 18356 7533 1 8 . 1 1 161 161 LYS C C 161 177.600 177.600 178.935 -1.335 18356 7534 1 8 . 1 1 161 161 LYS CA C 161 57.800 57.800 57.503 0.297 18356 7535 1 8 . 1 1 161 161 LYS CB C 161 33.200 33.200 32.117 1.083 18356 7536 1 8 . 1 1 161 161 LYS H H 161 7.660 7.660 7.766 -0.106 18356 7537 1 8 . 1 1 162 162 TYR N N 162 115.400 115.400 122.508 -7.108 18356 7538 1 8 . 1 1 162 162 TYR HA H 162 4.750 4.750 4.308 0.442 18356 7539 1 8 . 1 1 162 162 TYR C C 162 176.000 176.000 177.060 -1.060 18356 7540 1 8 . 1 1 162 162 TYR CA C 162 59.000 59.000 60.331 -1.331 18356 7541 1 8 . 1 1 162 162 TYR CB C 162 39.800 39.800 39.372 0.428 18356 7542 1 8 . 1 1 162 162 TYR H H 162 8.090 8.090 8.032 0.058 18356 7543 1 8 . 1 1 163 163 GLY N N 163 109.000 109.000 105.171 3.829 18356 7544 1 8 . 1 1 163 163 GLY C C 163 173.500 173.500 173.909 -0.409 18356 7545 1 8 . 1 1 163 163 GLY CA C 163 45.500 45.500 44.624 0.876 18356 7546 1 8 . 1 1 163 163 GLY H H 163 8.090 8.090 8.411 -0.321 18356 7547 1 8 . 1 1 164 164 ASP N N 164 120.100 120.100 120.165 -0.065 18356 7548 1 8 . 1 1 164 164 ASP HA H 164 4.640 4.640 4.489 0.151 18356 7549 1 8 . 1 1 164 164 ASP C C 164 175.300 175.300 175.940 -0.640 18356 7550 1 8 . 1 1 164 164 ASP CA C 164 54.600 54.600 55.528 -0.928 18356 7551 1 8 . 1 1 164 164 ASP CB C 164 41.700 41.700 41.724 -0.024 18356 7552 1 8 . 1 1 164 164 ASP H H 164 8.320 8.320 7.600 0.720 18356 7553 1 9 . 1 1 2 2 SER N N 2 115.100 115.100 118.174 -3.074 18356 7554 1 9 . 1 1 2 2 SER HA H 2 4.820 4.820 4.507 0.313 18356 7555 1 9 . 1 1 2 2 SER CA C 2 62.300 62.300 60.397 1.903 18356 7556 1 9 . 1 1 2 2 SER CB C 2 67.300 67.300 63.803 3.497 18356 7557 1 9 . 1 1 2 2 SER H H 2 8.350 8.350 9.024 -0.674 18356 7558 1 9 . 1 1 3 3 SER HA H 3 3.860 3.860 4.531 -0.671 18356 7559 1 9 . 1 1 3 3 SER CA C 3 55.800 55.800 59.784 -3.984 18356 7560 1 9 . 1 1 3 3 SER CB C 3 61.300 61.300 63.897 -2.597 18356 7561 1 9 . 1 1 4 4 GLY N N 4 110.700 110.700 108.834 1.866 18356 7562 1 9 . 1 1 4 4 GLY C C 4 173.400 173.400 174.373 -0.973 18356 7563 1 9 . 1 1 4 4 GLY CA C 4 45.100 45.100 45.476 -0.376 18356 7564 1 9 . 1 1 4 4 GLY H H 4 8.320 8.320 8.341 -0.021 18356 7565 1 9 . 1 1 5 5 VAL N N 5 119.400 119.400 118.996 0.404 18356 7566 1 9 . 1 1 5 5 VAL HA H 5 4.200 4.200 3.970 0.230 18356 7567 1 9 . 1 1 5 5 VAL C C 5 175.300 175.300 176.493 -1.193 18356 7568 1 9 . 1 1 5 5 VAL CA C 5 61.700 61.700 63.280 -1.580 18356 7569 1 9 . 1 1 5 5 VAL CB C 5 33.100 33.100 32.645 0.455 18356 7570 1 9 . 1 1 5 5 VAL H H 5 7.810 7.810 7.638 0.172 18356 7571 1 9 . 1 1 6 6 MET N N 6 124.000 124.000 129.792 -5.792 18356 7572 1 9 . 1 1 6 6 MET HA H 6 4.650 4.650 4.456 0.194 18356 7573 1 9 . 1 1 6 6 MET C C 6 174.800 174.800 175.494 -0.694 18356 7574 1 9 . 1 1 6 6 MET CA C 6 54.200 54.200 55.347 -1.147 18356 7575 1 9 . 1 1 6 6 MET CB C 6 36.000 36.000 32.290 3.710 18356 7576 1 9 . 1 1 6 6 MET H H 6 8.180 8.180 8.950 -0.770 18356 7577 1 9 . 1 1 7 7 VAL N N 7 122.400 122.400 125.747 -3.347 18356 7578 1 9 . 1 1 7 7 VAL HA H 7 4.090 4.090 4.030 0.060 18356 7579 1 9 . 1 1 7 7 VAL C C 7 175.500 175.500 175.376 0.124 18356 7580 1 9 . 1 1 7 7 VAL CA C 7 62.300 62.300 62.394 -0.094 18356 7581 1 9 . 1 1 7 7 VAL CB C 7 32.500 32.500 31.657 0.843 18356 7582 1 9 . 1 1 7 7 VAL H H 7 8.790 8.790 8.317 0.473 18356 7583 1 9 . 1 1 8 8 ASP N N 8 131.400 131.400 130.084 1.316 18356 7584 1 9 . 1 1 8 8 ASP HA H 8 4.710 4.710 4.875 -0.165 18356 7585 1 9 . 1 1 8 8 ASP C C 8 175.800 175.800 175.831 -0.031 18356 7586 1 9 . 1 1 8 8 ASP CA C 8 53.900 53.900 51.169 2.731 18356 7587 1 9 . 1 1 8 8 ASP CB C 8 44.800 44.800 42.610 2.190 18356 7588 1 9 . 1 1 8 8 ASP H H 8 8.800 8.800 8.576 0.224 18356 7589 1 9 . 1 1 9 9 PRO HA H 9 4.480 4.480 4.238 0.242 18356 7590 1 9 . 1 1 9 9 PRO CA C 9 63.000 63.000 64.715 -1.715 18356 7591 1 9 . 1 1 10 10 ASP N N 10 116.700 116.700 118.628 -1.928 18356 7592 1 9 . 1 1 10 10 ASP HA H 10 4.780 4.780 4.517 0.263 18356 7593 1 9 . 1 1 10 10 ASP C C 10 179.100 179.100 178.485 0.615 18356 7594 1 9 . 1 1 10 10 ASP CA C 10 56.200 56.200 56.660 -0.460 18356 7595 1 9 . 1 1 10 10 ASP CB C 10 40.700 40.700 40.939 -0.239 18356 7596 1 9 . 1 1 10 10 ASP H H 10 9.060 9.060 9.069 -0.009 18356 7597 1 9 . 1 1 11 11 VAL N N 11 122.600 122.600 119.727 2.873 18356 7598 1 9 . 1 1 11 11 VAL HA H 11 3.630 3.630 3.476 0.154 18356 7599 1 9 . 1 1 11 11 VAL C C 11 176.900 176.900 178.032 -1.132 18356 7600 1 9 . 1 1 11 11 VAL CA C 11 67.400 67.400 66.532 0.868 18356 7601 1 9 . 1 1 11 11 VAL CB C 11 31.100 31.100 31.549 -0.449 18356 7602 1 9 . 1 1 11 11 VAL H H 11 8.510 8.510 7.912 0.598 18356 7603 1 9 . 1 1 12 12 GLN N N 12 117.400 117.400 117.669 -0.269 18356 7604 1 9 . 1 1 12 12 GLN HA H 12 4.030 4.030 4.065 -0.035 18356 7605 1 9 . 1 1 12 12 GLN C C 12 178.800 178.800 178.707 0.093 18356 7606 1 9 . 1 1 12 12 GLN CA C 12 59.800 59.800 59.088 0.712 18356 7607 1 9 . 1 1 12 12 GLN CB C 12 29.000 29.000 28.675 0.325 18356 7608 1 9 . 1 1 12 12 GLN H H 12 7.740 7.740 8.142 -0.402 18356 7609 1 9 . 1 1 13 13 THR N N 13 113.600 113.600 112.248 1.352 18356 7610 1 9 . 1 1 13 13 THR HA H 13 4.020 4.020 3.965 0.055 18356 7611 1 9 . 1 1 13 13 THR C C 13 177.600 177.600 177.055 0.545 18356 7612 1 9 . 1 1 13 13 THR CA C 13 66.100 66.100 65.915 0.186 18356 7613 1 9 . 1 1 13 13 THR CB C 13 68.400 68.400 68.673 -0.273 18356 7614 1 9 . 1 1 13 13 THR H H 13 7.910 7.910 7.848 0.062 18356 7615 1 9 . 1 1 14 14 SER N N 14 118.100 118.100 118.018 0.082 18356 7616 1 9 . 1 1 14 14 SER HA H 14 4.330 4.330 4.207 0.123 18356 7617 1 9 . 1 1 14 14 SER C C 14 175.900 175.900 176.362 -0.462 18356 7618 1 9 . 1 1 14 14 SER CA C 14 63.400 63.400 61.684 1.716 18356 7619 1 9 . 1 1 14 14 SER CB C 14 62.300 62.300 62.829 -0.529 18356 7620 1 9 . 1 1 14 14 SER H H 14 8.630 8.630 8.145 0.485 18356 7621 1 9 . 1 1 15 15 PHE N N 15 122.400 122.400 120.882 1.518 18356 7622 1 9 . 1 1 15 15 PHE HA H 15 4.260 4.260 4.576 -0.316 18356 7623 1 9 . 1 1 15 15 PHE C C 15 178.900 178.900 177.947 0.953 18356 7624 1 9 . 1 1 15 15 PHE CA C 15 62.200 62.200 59.868 2.332 18356 7625 1 9 . 1 1 15 15 PHE CB C 15 40.000 40.000 37.998 2.002 18356 7626 1 9 . 1 1 15 15 PHE H H 15 8.280 8.280 7.447 0.833 18356 7627 1 9 . 1 1 16 16 GLN N N 16 121.400 121.400 119.196 2.204 18356 7628 1 9 . 1 1 16 16 GLN HA H 16 3.970 3.970 4.113 -0.143 18356 7629 1 9 . 1 1 16 16 GLN C C 16 177.600 177.600 177.670 -0.070 18356 7630 1 9 . 1 1 16 16 GLN CA C 16 59.400 59.400 58.497 0.903 18356 7631 1 9 . 1 1 16 16 GLN CB C 16 28.100 28.100 28.344 -0.244 18356 7632 1 9 . 1 1 16 16 GLN H H 16 8.600 8.600 7.784 0.816 18356 7633 1 9 . 1 1 17 17 LYS N N 17 117.000 117.000 117.168 -0.168 18356 7634 1 9 . 1 1 17 17 LYS HA H 17 4.180 4.180 4.260 -0.080 18356 7635 1 9 . 1 1 17 17 LYS C C 17 175.200 175.200 178.650 -3.450 18356 7636 1 9 . 1 1 17 17 LYS CA C 17 58.800 58.800 58.389 0.411 18356 7637 1 9 . 1 1 17 17 LYS CB C 17 33.300 33.300 32.387 0.913 18356 7638 1 9 . 1 1 17 17 LYS H H 17 7.440 7.440 7.664 -0.224 18356 7639 1 9 . 1 1 18 18 LEU N N 18 118.900 118.900 122.915 -4.015 18356 7640 1 9 . 1 1 18 18 LEU HA H 18 4.440 4.440 4.849 -0.409 18356 7641 1 9 . 1 1 18 18 LEU C C 18 173.600 173.600 178.339 -4.739 18356 7642 1 9 . 1 1 18 18 LEU CA C 18 57.200 57.200 57.080 0.120 18356 7643 1 9 . 1 1 18 18 LEU CB C 18 44.200 44.200 42.500 1.700 18356 7644 1 9 . 1 1 18 18 LEU H H 18 7.510 7.510 8.022 -0.512 18356 7645 1 9 . 1 1 19 19 SER N N 19 110.200 110.200 113.182 -2.982 18356 7646 1 9 . 1 1 19 19 SER HA H 19 3.980 3.980 4.299 -0.319 18356 7647 1 9 . 1 1 19 19 SER C C 19 174.400 174.400 175.359 -0.959 18356 7648 1 9 . 1 1 19 19 SER CA C 19 59.500 59.500 61.447 -1.947 18356 7649 1 9 . 1 1 19 19 SER CB C 19 65.200 65.200 63.108 2.092 18356 7650 1 9 . 1 1 19 19 SER H H 19 7.860 7.860 8.122 -0.262 18356 7651 1 9 . 1 1 20 20 GLU N N 20 120.500 120.500 117.088 3.412 18356 7652 1 9 . 1 1 20 20 GLU HA H 20 4.530 4.530 4.498 0.032 18356 7653 1 9 . 1 1 20 20 GLU C C 20 176.100 176.100 177.428 -1.328 18356 7654 1 9 . 1 1 20 20 GLU CA C 20 55.400 55.400 56.019 -0.619 18356 7655 1 9 . 1 1 20 20 GLU CB C 20 31.700 31.700 30.591 1.109 18356 7656 1 9 . 1 1 20 20 GLU H H 20 7.990 7.990 7.424 0.566 18356 7657 1 9 . 1 1 21 21 GLY N N 21 107.000 107.000 109.389 -2.389 18356 7658 1 9 . 1 1 21 21 GLY C C 21 175.400 175.400 174.291 1.109 18356 7659 1 9 . 1 1 21 21 GLY CA C 21 46.800 46.800 44.867 1.933 18356 7660 1 9 . 1 1 21 21 GLY H H 21 8.480 8.480 8.353 0.127 18356 7661 1 9 . 1 1 22 22 ARG N N 22 124.100 124.100 125.675 -1.575 18356 7662 1 9 . 1 1 22 22 ARG HA H 22 4.130 4.130 4.622 -0.492 18356 7663 1 9 . 1 1 22 22 ARG C C 22 175.900 175.900 177.075 -1.175 18356 7664 1 9 . 1 1 22 22 ARG CA C 22 56.900 56.900 57.109 -0.209 18356 7665 1 9 . 1 1 22 22 ARG CB C 22 29.900 29.900 31.487 -1.587 18356 7666 1 9 . 1 1 22 22 ARG H H 22 8.680 8.680 8.836 -0.156 18356 7667 1 9 . 1 1 23 23 LYS N N 23 117.800 117.800 115.139 2.661 18356 7668 1 9 . 1 1 23 23 LYS HA H 23 3.950 3.950 4.515 -0.565 18356 7669 1 9 . 1 1 23 23 LYS C C 23 176.200 176.200 177.481 -1.281 18356 7670 1 9 . 1 1 23 23 LYS CA C 23 57.200 57.200 57.230 -0.030 18356 7671 1 9 . 1 1 23 23 LYS CB C 23 29.900 29.900 32.130 -2.230 18356 7672 1 9 . 1 1 23 23 LYS H H 23 8.130 8.130 8.322 -0.192 18356 7673 1 9 . 1 1 24 24 GLU N N 24 117.900 117.900 118.355 -0.455 18356 7674 1 9 . 1 1 24 24 GLU HA H 24 3.910 3.910 4.159 -0.249 18356 7675 1 9 . 1 1 24 24 GLU C C 24 177.500 177.500 176.319 1.181 18356 7676 1 9 . 1 1 24 24 GLU CA C 24 58.500 58.500 58.013 0.487 18356 7677 1 9 . 1 1 24 24 GLU CB C 24 30.900 30.900 29.230 1.671 18356 7678 1 9 . 1 1 24 24 GLU H H 24 8.170 8.170 8.537 -0.367 18356 7679 1 9 . 1 1 25 25 TYR N N 25 113.100 113.100 120.296 -7.196 18356 7680 1 9 . 1 1 25 25 TYR HA H 25 4.530 4.530 4.763 -0.233 18356 7681 1 9 . 1 1 25 25 TYR C C 25 173.600 173.600 173.965 -0.365 18356 7682 1 9 . 1 1 25 25 TYR CA C 25 55.300 55.300 56.391 -1.091 18356 7683 1 9 . 1 1 25 25 TYR CB C 25 40.200 40.200 40.603 -0.403 18356 7684 1 9 . 1 1 25 25 TYR H H 25 6.950 6.950 7.744 -0.794 18356 7685 1 9 . 1 1 26 26 ARG N N 26 120.500 120.500 116.457 4.043 18356 7686 1 9 . 1 1 26 26 ARG HA H 26 4.660 4.660 4.404 0.256 18356 7687 1 9 . 1 1 26 26 ARG C C 26 174.600 174.600 173.903 0.697 18356 7688 1 9 . 1 1 26 26 ARG CA C 26 54.000 54.000 54.352 -0.352 18356 7689 1 9 . 1 1 26 26 ARG CB C 26 31.500 31.500 31.547 -0.048 18356 7690 1 9 . 1 1 26 26 ARG H H 26 9.450 9.450 7.280 2.170 18356 7691 1 9 . 1 1 27 27 TYR N N 27 109.700 109.700 117.339 -7.639 18356 7692 1 9 . 1 1 27 27 TYR HA H 27 4.930 4.930 4.964 -0.034 18356 7693 1 9 . 1 1 27 27 TYR C C 27 172.700 172.700 174.322 -1.622 18356 7694 1 9 . 1 1 27 27 TYR CA C 27 56.200 56.200 57.162 -0.962 18356 7695 1 9 . 1 1 27 27 TYR CB C 27 40.800 40.800 39.759 1.041 18356 7696 1 9 . 1 1 27 27 TYR H H 27 7.450 7.450 7.434 0.016 18356 7697 1 9 . 1 1 28 28 ILE N N 28 117.400 117.400 120.740 -3.340 18356 7698 1 9 . 1 1 28 28 ILE HA H 28 4.780 4.780 4.538 0.242 18356 7699 1 9 . 1 1 28 28 ILE C C 28 174.400 174.400 174.193 0.207 18356 7700 1 9 . 1 1 28 28 ILE CA C 28 60.200 60.200 59.460 0.740 18356 7701 1 9 . 1 1 28 28 ILE CB C 28 43.300 43.300 42.947 0.353 18356 7702 1 9 . 1 1 28 28 ILE H H 28 8.750 8.750 8.079 0.671 18356 7703 1 9 . 1 1 29 29 ILE N N 29 125.100 125.100 122.052 3.048 18356 7704 1 9 . 1 1 29 29 ILE HA H 29 4.670 4.670 5.508 -0.838 18356 7705 1 9 . 1 1 29 29 ILE C C 29 174.600 174.600 174.294 0.306 18356 7706 1 9 . 1 1 29 29 ILE CA C 29 60.800 60.800 59.414 1.386 18356 7707 1 9 . 1 1 29 29 ILE CB C 29 40.500 40.500 39.390 1.110 18356 7708 1 9 . 1 1 29 29 ILE H H 29 9.180 9.180 8.047 1.133 18356 7709 1 9 . 1 1 30 30 PHE N N 30 126.100 126.100 127.209 -1.109 18356 7710 1 9 . 1 1 30 30 PHE HA H 30 5.760 5.760 5.715 0.045 18356 7711 1 9 . 1 1 30 30 PHE C C 30 174.100 174.100 175.178 -1.078 18356 7712 1 9 . 1 1 30 30 PHE CA C 30 55.900 55.900 56.971 -1.071 18356 7713 1 9 . 1 1 30 30 PHE CB C 30 42.300 42.300 42.786 -0.486 18356 7714 1 9 . 1 1 30 30 PHE H H 30 9.650 9.650 8.998 0.652 18356 7715 1 9 . 1 1 31 31 LYS N N 31 118.900 118.900 119.534 -0.634 18356 7716 1 9 . 1 1 31 31 LYS HA H 31 5.320 5.320 5.202 0.118 18356 7717 1 9 . 1 1 31 31 LYS C C 31 173.000 173.000 174.683 -1.683 18356 7718 1 9 . 1 1 31 31 LYS CA C 31 53.800 53.800 54.642 -0.842 18356 7719 1 9 . 1 1 31 31 LYS CB C 31 38.100 38.100 36.844 1.256 18356 7720 1 9 . 1 1 31 31 LYS H H 31 8.990 8.990 9.371 -0.382 18356 7721 1 9 . 1 1 32 32 ILE N N 32 120.500 120.500 122.831 -2.331 18356 7722 1 9 . 1 1 32 32 ILE HA H 32 4.780 4.780 4.477 0.303 18356 7723 1 9 . 1 1 32 32 ILE C C 32 175.200 175.200 173.607 1.593 18356 7724 1 9 . 1 1 32 32 ILE CA C 32 60.700 60.700 59.788 0.912 18356 7725 1 9 . 1 1 32 32 ILE CB C 32 41.300 41.300 39.683 1.617 18356 7726 1 9 . 1 1 32 32 ILE H H 32 8.420 8.420 8.299 0.121 18356 7727 1 9 . 1 1 33 33 ASP N N 33 130.100 130.100 128.652 1.448 18356 7728 1 9 . 1 1 33 33 ASP HA H 33 4.880 4.880 4.645 0.235 18356 7729 1 9 . 1 1 33 33 ASP C C 33 175.300 175.300 176.270 -0.970 18356 7730 1 9 . 1 1 33 33 ASP CA C 33 53.500 53.500 53.333 0.167 18356 7731 1 9 . 1 1 33 33 ASP CB C 33 44.500 44.500 43.305 1.195 18356 7732 1 9 . 1 1 33 33 ASP H H 33 9.270 9.270 8.295 0.975 18356 7733 1 9 . 1 1 34 34 GLU N N 34 123.600 123.600 123.304 0.296 18356 7734 1 9 . 1 1 34 34 GLU HA H 34 3.730 3.730 4.258 -0.528 18356 7735 1 9 . 1 1 34 34 GLU C C 34 175.000 175.000 177.379 -2.379 18356 7736 1 9 . 1 1 34 34 GLU CA C 34 58.200 58.200 57.813 0.387 18356 7737 1 9 . 1 1 34 34 GLU CB C 34 27.500 27.500 29.968 -2.468 18356 7738 1 9 . 1 1 34 34 GLU H H 34 9.040 9.040 8.798 0.242 18356 7739 1 9 . 1 1 35 35 ASN N N 35 114.200 114.200 117.678 -3.478 18356 7740 1 9 . 1 1 35 35 ASN HA H 35 4.380 4.380 4.649 -0.269 18356 7741 1 9 . 1 1 35 35 ASN C C 35 173.500 173.500 174.754 -1.254 18356 7742 1 9 . 1 1 35 35 ASN CA C 35 53.700 53.700 54.743 -1.043 18356 7743 1 9 . 1 1 35 35 ASN CB C 35 38.500 38.500 39.887 -1.387 18356 7744 1 9 . 1 1 35 35 ASN H H 35 8.570 8.570 8.824 -0.254 18356 7745 1 9 . 1 1 36 36 LYS N N 36 118.400 118.400 119.848 -1.448 18356 7746 1 9 . 1 1 36 36 LYS HA H 36 5.340 5.340 4.505 0.835 18356 7747 1 9 . 1 1 36 36 LYS C C 36 174.900 174.900 175.502 -0.602 18356 7748 1 9 . 1 1 36 36 LYS CA C 36 54.500 54.500 54.660 -0.160 18356 7749 1 9 . 1 1 36 36 LYS CB C 36 36.100 36.100 34.285 1.815 18356 7750 1 9 . 1 1 36 36 LYS H H 36 7.750 7.750 7.590 0.160 18356 7751 1 9 . 1 1 37 37 VAL N N 37 122.900 122.900 122.555 0.345 18356 7752 1 9 . 1 1 37 37 VAL HA H 37 4.550 4.550 4.500 0.050 18356 7753 1 9 . 1 1 37 37 VAL C C 37 174.600 174.600 174.456 0.144 18356 7754 1 9 . 1 1 37 37 VAL CA C 37 62.000 62.000 61.315 0.685 18356 7755 1 9 . 1 1 37 37 VAL CB C 37 32.300 32.300 29.903 2.397 18356 7756 1 9 . 1 1 37 37 VAL H H 37 8.790 8.790 8.787 0.003 18356 7757 1 9 . 1 1 38 38 ILE N N 38 119.600 119.600 125.709 -6.109 18356 7758 1 9 . 1 1 38 38 ILE HA H 38 4.880 4.880 4.916 -0.036 18356 7759 1 9 . 1 1 38 38 ILE C C 38 176.200 176.200 174.399 1.801 18356 7760 1 9 . 1 1 38 38 ILE CA C 38 59.300 59.300 58.712 0.588 18356 7761 1 9 . 1 1 38 38 ILE CB C 38 42.800 42.800 42.565 0.235 18356 7762 1 9 . 1 1 38 38 ILE H H 38 9.230 9.230 8.187 1.043 18356 7763 1 9 . 1 1 39 39 VAL N N 39 121.300 121.300 127.660 -6.360 18356 7764 1 9 . 1 1 39 39 VAL HA H 39 3.850 3.850 4.348 -0.498 18356 7765 1 9 . 1 1 39 39 VAL C C 39 175.300 175.300 175.563 -0.263 18356 7766 1 9 . 1 1 39 39 VAL CA C 39 63.900 63.900 62.788 1.112 18356 7767 1 9 . 1 1 39 39 VAL CB C 39 32.100 32.100 30.122 1.978 18356 7768 1 9 . 1 1 39 39 VAL H H 39 9.070 9.070 8.725 0.345 18356 7769 1 9 . 1 1 40 40 GLU N N 40 131.200 131.200 128.369 2.831 18356 7770 1 9 . 1 1 40 40 GLU HA H 40 4.270 4.270 4.687 -0.417 18356 7771 1 9 . 1 1 40 40 GLU C C 40 176.000 176.000 174.551 1.449 18356 7772 1 9 . 1 1 40 40 GLU CA C 40 57.200 57.200 54.837 2.363 18356 7773 1 9 . 1 1 40 40 GLU CB C 40 32.300 32.300 33.265 -0.965 18356 7774 1 9 . 1 1 40 40 GLU H H 40 9.230 9.230 8.274 0.956 18356 7775 1 9 . 1 1 41 41 ALA N N 41 118.100 118.100 126.905 -8.805 18356 7776 1 9 . 1 1 41 41 ALA HA H 41 4.440 4.440 4.543 -0.103 18356 7777 1 9 . 1 1 41 41 ALA C C 41 173.300 173.300 175.928 -2.628 18356 7778 1 9 . 1 1 41 41 ALA CA C 41 52.000 52.000 50.634 1.366 18356 7779 1 9 . 1 1 41 41 ALA CB C 41 21.800 21.800 20.031 1.769 18356 7780 1 9 . 1 1 41 41 ALA H H 41 7.670 7.670 8.469 -0.799 18356 7781 1 9 . 1 1 42 42 ALA N N 42 127.600 127.600 124.518 3.082 18356 7782 1 9 . 1 1 42 42 ALA HA H 42 4.520 4.520 4.631 -0.111 18356 7783 1 9 . 1 1 42 42 ALA C C 42 174.900 174.900 174.721 0.179 18356 7784 1 9 . 1 1 42 42 ALA CA C 42 51.700 51.700 50.655 1.045 18356 7785 1 9 . 1 1 42 42 ALA CB C 42 19.100 19.100 22.131 -3.031 18356 7786 1 9 . 1 1 42 42 ALA H H 42 8.480 8.480 8.476 0.004 18356 7787 1 9 . 1 1 43 43 VAL N N 43 124.900 124.900 116.910 7.990 18356 7788 1 9 . 1 1 43 43 VAL HA H 43 4.350 4.350 4.336 0.014 18356 7789 1 9 . 1 1 43 43 VAL C C 43 176.100 176.100 175.810 0.290 18356 7790 1 9 . 1 1 43 43 VAL CA C 43 62.100 62.100 61.316 0.784 18356 7791 1 9 . 1 1 43 43 VAL CB C 43 34.300 34.300 33.060 1.240 18356 7792 1 9 . 1 1 43 43 VAL H H 43 7.820 7.820 8.268 -0.448 18356 7793 1 9 . 1 1 44 44 THR N N 44 119.400 119.400 112.415 6.985 18356 7794 1 9 . 1 1 44 44 THR HA H 44 4.800 4.800 4.427 0.373 18356 7795 1 9 . 1 1 44 44 THR C C 44 174.300 174.300 175.519 -1.219 18356 7796 1 9 . 1 1 44 44 THR CA C 44 60.300 60.300 61.233 -0.933 18356 7797 1 9 . 1 1 44 44 THR CB C 44 71.200 71.200 70.413 0.787 18356 7798 1 9 . 1 1 44 44 THR H H 44 8.670 8.670 8.004 0.666 18356 7799 1 9 . 1 1 45 45 GLN N N 45 119.800 119.800 120.445 -0.645 18356 7800 1 9 . 1 1 45 45 GLN HA H 45 4.010 4.010 4.241 -0.231 18356 7801 1 9 . 1 1 45 45 GLN C C 45 179.600 179.600 177.638 1.962 18356 7802 1 9 . 1 1 45 45 GLN CA C 45 59.000 59.000 57.919 1.081 18356 7803 1 9 . 1 1 45 45 GLN CB C 45 27.600 27.600 28.698 -1.098 18356 7804 1 9 . 1 1 45 45 GLN H H 45 8.660 8.660 9.218 -0.558 18356 7805 1 9 . 1 1 46 46 ASP N N 46 117.300 117.300 120.488 -3.188 18356 7806 1 9 . 1 1 46 46 ASP HA H 46 4.390 4.390 4.260 0.130 18356 7807 1 9 . 1 1 46 46 ASP C C 46 178.900 178.900 177.007 1.893 18356 7808 1 9 . 1 1 46 46 ASP CA C 46 57.100 57.100 57.113 -0.013 18356 7809 1 9 . 1 1 46 46 ASP CB C 46 40.800 40.800 40.325 0.475 18356 7810 1 9 . 1 1 46 46 ASP H H 46 8.430 8.430 8.132 0.298 18356 7811 1 9 . 1 1 47 47 GLN N N 47 118.900 118.900 117.788 1.112 18356 7812 1 9 . 1 1 47 47 GLN HA H 47 4.030 4.030 4.324 -0.294 18356 7813 1 9 . 1 1 47 47 GLN C C 47 178.000 178.000 177.633 0.367 18356 7814 1 9 . 1 1 47 47 GLN CA C 47 57.800 57.800 57.820 -0.020 18356 7815 1 9 . 1 1 47 47 GLN CB C 47 29.100 29.100 28.332 0.768 18356 7816 1 9 . 1 1 47 47 GLN H H 47 7.830 7.830 7.708 0.122 18356 7817 1 9 . 1 1 48 48 LEU N N 48 118.100 118.100 118.433 -0.333 18356 7818 1 9 . 1 1 48 48 LEU HA H 48 4.180 4.180 4.356 -0.176 18356 7819 1 9 . 1 1 48 48 LEU C C 48 177.600 177.600 177.791 -0.191 18356 7820 1 9 . 1 1 48 48 LEU CA C 48 56.300 56.300 55.011 1.289 18356 7821 1 9 . 1 1 48 48 LEU CB C 48 43.100 43.100 41.901 1.199 18356 7822 1 9 . 1 1 48 48 LEU H H 48 7.560 7.560 7.607 -0.047 18356 7823 1 9 . 1 1 49 49 GLY N N 49 105.600 105.600 108.044 -2.444 18356 7824 1 9 . 1 1 49 49 GLY C C 49 174.700 174.700 174.291 0.409 18356 7825 1 9 . 1 1 49 49 GLY CA C 49 47.000 47.000 45.450 1.550 18356 7826 1 9 . 1 1 49 49 GLY H H 49 7.570 7.570 7.946 -0.376 18356 7827 1 9 . 1 1 50 50 ILE N N 50 117.700 117.700 121.611 -3.911 18356 7828 1 9 . 1 1 50 50 ILE HA H 50 4.340 4.340 4.429 -0.089 18356 7829 1 9 . 1 1 50 50 ILE C C 50 176.500 176.500 174.926 1.574 18356 7830 1 9 . 1 1 50 50 ILE CA C 50 59.900 59.900 59.735 0.165 18356 7831 1 9 . 1 1 50 50 ILE CB C 50 38.900 38.900 41.469 -2.569 18356 7832 1 9 . 1 1 50 50 ILE H H 50 7.940 7.940 8.099 -0.159 18356 7833 1 9 . 1 1 51 51 THR N N 51 117.500 117.500 120.182 -2.682 18356 7834 1 9 . 1 1 51 51 THR HA H 51 4.420 4.420 4.245 0.175 18356 7835 1 9 . 1 1 51 51 THR C C 51 174.900 174.900 176.167 -1.267 18356 7836 1 9 . 1 1 51 51 THR CA C 51 61.700 61.700 63.036 -1.336 18356 7837 1 9 . 1 1 51 51 THR CB C 51 69.900 69.900 69.618 0.283 18356 7838 1 9 . 1 1 51 51 THR H H 51 8.480 8.480 8.424 0.056 18356 7839 1 9 . 1 1 52 52 GLY N N 52 111.200 111.200 111.640 -0.440 18356 7840 1 9 . 1 1 52 52 GLY C C 52 172.700 172.700 174.025 -1.325 18356 7841 1 9 . 1 1 52 52 GLY CA C 52 44.600 44.600 46.785 -2.184 18356 7842 1 9 . 1 1 52 52 GLY H H 52 8.080 8.080 8.881 -0.801 18356 7843 1 9 . 1 1 53 53 ASP N N 53 120.800 120.800 118.369 2.431 18356 7844 1 9 . 1 1 53 53 ASP HA H 53 4.660 4.660 4.623 0.037 18356 7845 1 9 . 1 1 53 53 ASP C C 53 177.800 177.800 175.050 2.750 18356 7846 1 9 . 1 1 53 53 ASP CA C 53 53.900 53.900 54.460 -0.560 18356 7847 1 9 . 1 1 53 53 ASP CB C 53 42.700 42.700 41.938 0.762 18356 7848 1 9 . 1 1 53 53 ASP H H 53 8.490 8.490 8.111 0.379 18356 7849 1 9 . 1 1 54 54 ASP N N 54 124.100 124.100 119.809 4.291 18356 7850 1 9 . 1 1 54 54 ASP HA H 54 4.630 4.630 4.495 0.135 18356 7851 1 9 . 1 1 54 54 ASP C C 54 177.100 177.100 176.553 0.547 18356 7852 1 9 . 1 1 54 54 ASP CA C 54 56.600 56.600 55.206 1.394 18356 7853 1 9 . 1 1 54 54 ASP CB C 54 42.800 42.800 41.679 1.121 18356 7854 1 9 . 1 1 54 54 ASP H H 54 8.500 8.500 8.564 -0.064 18356 7855 1 9 . 1 1 55 55 TYR N N 55 114.900 114.900 119.935 -5.035 18356 7856 1 9 . 1 1 55 55 TYR HA H 55 4.560 4.560 4.114 0.446 18356 7857 1 9 . 1 1 55 55 TYR C C 55 178.900 178.900 177.338 1.562 18356 7858 1 9 . 1 1 55 55 TYR CA C 55 62.400 62.400 62.181 0.219 18356 7859 1 9 . 1 1 55 55 TYR CB C 55 37.300 37.300 38.166 -0.866 18356 7860 1 9 . 1 1 55 55 TYR H H 55 8.350 8.350 8.361 -0.011 18356 7861 1 9 . 1 1 56 56 ASP N N 56 119.600 119.600 115.785 3.815 18356 7862 1 9 . 1 1 56 56 ASP HA H 56 4.560 4.560 4.514 0.046 18356 7863 1 9 . 1 1 56 56 ASP C C 56 177.300 177.300 176.688 0.612 18356 7864 1 9 . 1 1 56 56 ASP CA C 56 57.200 57.200 56.034 1.166 18356 7865 1 9 . 1 1 56 56 ASP CB C 56 40.600 40.600 40.889 -0.289 18356 7866 1 9 . 1 1 56 56 ASP H H 56 8.320 8.320 8.378 -0.058 18356 7867 1 9 . 1 1 57 57 ASP N N 57 116.600 116.600 119.276 -2.676 18356 7868 1 9 . 1 1 57 57 ASP HA H 57 4.940 4.940 4.689 0.251 18356 7869 1 9 . 1 1 57 57 ASP C C 57 178.100 178.100 177.717 0.383 18356 7870 1 9 . 1 1 57 57 ASP CA C 57 52.400 52.400 55.540 -3.140 18356 7871 1 9 . 1 1 57 57 ASP CB C 57 41.100 41.100 41.988 -0.888 18356 7872 1 9 . 1 1 57 57 ASP H H 57 7.740 7.740 7.743 -0.003 18356 7873 1 9 . 1 1 58 58 SER N N 58 117.600 117.600 114.940 2.660 18356 7874 1 9 . 1 1 58 58 SER HA H 58 4.800 4.800 4.568 0.232 18356 7875 1 9 . 1 1 58 58 SER C C 58 174.600 174.600 174.900 -0.300 18356 7876 1 9 . 1 1 58 58 SER CA C 58 60.200 60.200 59.567 0.633 18356 7877 1 9 . 1 1 58 58 SER CB C 58 63.000 63.000 64.571 -1.571 18356 7878 1 9 . 1 1 58 58 SER H H 58 8.130 8.130 8.026 0.104 18356 7879 1 9 . 1 1 59 59 SER N N 59 105.400 105.400 113.502 -8.102 18356 7880 1 9 . 1 1 59 59 SER HA H 59 4.580 4.580 4.276 0.304 18356 7881 1 9 . 1 1 59 59 SER C C 59 173.200 173.200 173.831 -0.631 18356 7882 1 9 . 1 1 59 59 SER CA C 59 60.500 60.500 60.508 -0.008 18356 7883 1 9 . 1 1 59 59 SER CB C 59 66.100 66.100 62.128 3.972 18356 7884 1 9 . 1 1 59 59 SER H H 59 9.010 9.010 8.246 0.764 18356 7885 1 9 . 1 1 60 60 LYS N N 60 123.100 123.100 119.288 3.812 18356 7886 1 9 . 1 1 60 60 LYS HA H 60 4.080 4.080 4.731 -0.651 18356 7887 1 9 . 1 1 60 60 LYS C C 60 176.500 176.500 176.817 -0.317 18356 7888 1 9 . 1 1 60 60 LYS CA C 60 61.000 61.000 57.491 3.509 18356 7889 1 9 . 1 1 60 60 LYS CB C 60 32.800 32.800 33.206 -0.406 18356 7890 1 9 . 1 1 60 60 LYS H H 60 7.450 7.450 7.929 -0.479 18356 7891 1 9 . 1 1 61 61 ALA N N 61 120.700 120.700 123.623 -2.923 18356 7892 1 9 . 1 1 61 61 ALA HA H 61 4.130 4.130 4.298 -0.168 18356 7893 1 9 . 1 1 61 61 ALA C C 61 181.800 181.800 178.537 3.263 18356 7894 1 9 . 1 1 61 61 ALA CA C 61 55.500 55.500 54.489 1.011 18356 7895 1 9 . 1 1 61 61 ALA CB C 61 17.900 17.900 18.254 -0.354 18356 7896 1 9 . 1 1 61 61 ALA H H 61 8.800 8.800 8.121 0.679 18356 7897 1 9 . 1 1 62 62 ALA N N 62 119.900 119.900 121.188 -1.288 18356 7898 1 9 . 1 1 62 62 ALA HA H 62 4.040 4.040 3.592 0.448 18356 7899 1 9 . 1 1 62 62 ALA C C 62 178.600 178.600 179.026 -0.426 18356 7900 1 9 . 1 1 62 62 ALA CA C 62 55.400 55.400 54.305 1.095 18356 7901 1 9 . 1 1 62 62 ALA CB C 62 19.700 19.700 17.628 2.072 18356 7902 1 9 . 1 1 62 62 ALA H H 62 8.760 8.760 7.823 0.937 18356 7903 1 9 . 1 1 63 63 PHE N N 63 120.400 120.400 115.581 4.819 18356 7904 1 9 . 1 1 63 63 PHE HA H 63 3.660 3.660 4.419 -0.759 18356 7905 1 9 . 1 1 63 63 PHE C C 63 177.300 177.300 177.562 -0.262 18356 7906 1 9 . 1 1 63 63 PHE CA C 63 62.200 62.200 61.058 1.142 18356 7907 1 9 . 1 1 63 63 PHE CB C 63 39.600 39.600 38.597 1.003 18356 7908 1 9 . 1 1 63 63 PHE H H 63 9.380 9.380 7.702 1.678 18356 7909 1 9 . 1 1 64 64 ASP N N 64 119.700 119.700 119.995 -0.295 18356 7910 1 9 . 1 1 64 64 ASP HA H 64 4.410 4.410 4.379 0.031 18356 7911 1 9 . 1 1 64 64 ASP C C 64 180.200 180.200 178.146 2.054 18356 7912 1 9 . 1 1 64 64 ASP CA C 64 57.700 57.700 57.769 -0.069 18356 7913 1 9 . 1 1 64 64 ASP CB C 64 39.600 39.600 40.339 -0.739 18356 7914 1 9 . 1 1 64 64 ASP H H 64 9.180 9.180 7.797 1.383 18356 7915 1 9 . 1 1 65 65 LYS N N 65 119.800 119.800 118.337 1.463 18356 7916 1 9 . 1 1 65 65 LYS HA H 65 4.080 4.080 4.168 -0.088 18356 7917 1 9 . 1 1 65 65 LYS C C 65 179.100 179.100 178.188 0.912 18356 7918 1 9 . 1 1 65 65 LYS CA C 65 59.600 59.600 57.708 1.892 18356 7919 1 9 . 1 1 65 65 LYS CB C 65 32.500 32.500 31.325 1.175 18356 7920 1 9 . 1 1 65 65 LYS H H 65 7.420 7.420 7.491 -0.071 18356 7921 1 9 . 1 1 66 66 PHE N N 66 123.400 123.400 120.092 3.308 18356 7922 1 9 . 1 1 66 66 PHE HA H 66 4.340 4.340 4.194 0.146 18356 7923 1 9 . 1 1 66 66 PHE C C 66 175.900 175.900 177.554 -1.654 18356 7924 1 9 . 1 1 66 66 PHE CA C 66 59.900 59.900 60.819 -0.918 18356 7925 1 9 . 1 1 66 66 PHE CB C 66 38.300 38.300 38.735 -0.435 18356 7926 1 9 . 1 1 66 66 PHE H H 66 8.000 8.000 7.352 0.648 18356 7927 1 9 . 1 1 67 67 VAL N N 67 120.200 120.200 118.422 1.778 18356 7928 1 9 . 1 1 67 67 VAL HA H 67 2.600 2.600 3.857 -1.257 18356 7929 1 9 . 1 1 67 67 VAL C C 67 177.700 177.700 177.253 0.447 18356 7930 1 9 . 1 1 67 67 VAL CA C 67 67.100 67.100 64.822 2.278 18356 7931 1 9 . 1 1 67 67 VAL CB C 67 31.700 31.700 31.587 0.113 18356 7932 1 9 . 1 1 67 67 VAL H H 67 8.500 8.500 7.691 0.809 18356 7933 1 9 . 1 1 68 68 GLU N N 68 118.300 118.300 119.677 -1.377 18356 7934 1 9 . 1 1 68 68 GLU HA H 68 3.800 3.800 4.125 -0.325 18356 7935 1 9 . 1 1 68 68 GLU C C 68 178.800 178.800 178.181 0.619 18356 7936 1 9 . 1 1 68 68 GLU CA C 68 59.500 59.500 58.761 0.738 18356 7937 1 9 . 1 1 68 68 GLU CB C 68 29.400 29.400 29.454 -0.054 18356 7938 1 9 . 1 1 68 68 GLU H H 68 7.510 7.510 7.633 -0.123 18356 7939 1 9 . 1 1 69 69 ASP N N 69 121.400 121.400 119.779 1.621 18356 7940 1 9 . 1 1 69 69 ASP HA H 69 4.360 4.360 4.590 -0.230 18356 7941 1 9 . 1 1 69 69 ASP C C 69 178.100 178.100 178.309 -0.209 18356 7942 1 9 . 1 1 69 69 ASP CA C 69 56.500 56.500 56.678 -0.178 18356 7943 1 9 . 1 1 69 69 ASP CB C 69 40.900 40.900 40.924 -0.024 18356 7944 1 9 . 1 1 69 69 ASP H H 69 7.750 7.750 7.639 0.111 18356 7945 1 9 . 1 1 70 70 VAL N N 70 117.600 117.600 120.664 -3.064 18356 7946 1 9 . 1 1 70 70 VAL HA H 70 3.050 3.050 3.750 -0.700 18356 7947 1 9 . 1 1 70 70 VAL C C 70 179.900 179.900 176.572 3.328 18356 7948 1 9 . 1 1 70 70 VAL CA C 70 67.500 67.500 65.153 2.348 18356 7949 1 9 . 1 1 70 70 VAL CB C 70 32.400 32.400 31.921 0.479 18356 7950 1 9 . 1 1 70 70 VAL H H 70 8.230 8.230 7.532 0.698 18356 7951 1 9 . 1 1 71 71 LYS N N 71 120.900 120.900 118.031 2.869 18356 7952 1 9 . 1 1 71 71 LYS HA H 71 3.450 3.450 3.940 -0.490 18356 7953 1 9 . 1 1 71 71 LYS C C 71 177.700 177.700 178.077 -0.377 18356 7954 1 9 . 1 1 71 71 LYS CA C 71 61.900 61.900 58.889 3.011 18356 7955 1 9 . 1 1 71 71 LYS CB C 71 32.400 32.400 30.902 1.498 18356 7956 1 9 . 1 1 71 71 LYS H H 71 8.900 8.900 8.128 0.772 18356 7957 1 9 . 1 1 72 72 SER N N 72 114.200 114.200 116.669 -2.469 18356 7958 1 9 . 1 1 72 72 SER HA H 72 4.340 4.340 4.169 0.171 18356 7959 1 9 . 1 1 72 72 SER C C 72 178.300 178.300 176.055 2.245 18356 7960 1 9 . 1 1 72 72 SER CA C 72 61.500 61.500 61.810 -0.310 18356 7961 1 9 . 1 1 72 72 SER CB C 72 63.000 63.000 63.081 -0.081 18356 7962 1 9 . 1 1 72 72 SER H H 72 8.000 8.000 8.044 -0.044 18356 7963 1 9 . 1 1 73 73 ARG N N 73 119.700 119.700 117.014 2.686 18356 7964 1 9 . 1 1 73 73 ARG HA H 73 4.160 4.160 4.171 -0.011 18356 7965 1 9 . 1 1 73 73 ARG C C 73 177.000 177.000 176.858 0.142 18356 7966 1 9 . 1 1 73 73 ARG CA C 73 58.700 58.700 58.368 0.332 18356 7967 1 9 . 1 1 73 73 ARG CB C 73 30.300 30.300 30.118 0.182 18356 7968 1 9 . 1 1 73 73 ARG H H 73 8.430 8.430 7.983 0.447 18356 7969 1 9 . 1 1 74 74 THR N N 74 103.500 103.500 112.821 -9.321 18356 7970 1 9 . 1 1 74 74 THR HA H 74 4.210 4.210 4.485 -0.275 18356 7971 1 9 . 1 1 74 74 THR C C 74 173.500 173.500 174.519 -1.019 18356 7972 1 9 . 1 1 74 74 THR CA C 74 60.300 60.300 63.429 -3.129 18356 7973 1 9 . 1 1 74 74 THR CB C 74 70.100 70.100 70.522 -0.422 18356 7974 1 9 . 1 1 74 74 THR H H 74 7.400 7.400 7.816 -0.416 18356 7975 1 9 . 1 1 75 75 ASP N N 75 121.300 121.300 120.769 0.531 18356 7976 1 9 . 1 1 75 75 ASP HA H 75 4.280 4.280 4.582 -0.302 18356 7977 1 9 . 1 1 75 75 ASP C C 75 176.500 176.500 176.190 0.310 18356 7978 1 9 . 1 1 75 75 ASP CA C 75 55.300 55.300 55.255 0.045 18356 7979 1 9 . 1 1 75 75 ASP CB C 75 38.400 38.400 41.965 -3.564 18356 7980 1 9 . 1 1 75 75 ASP H H 75 7.900 7.900 8.522 -0.622 18356 7981 1 9 . 1 1 76 76 ASN N N 76 116.400 116.400 117.713 -1.313 18356 7982 1 9 . 1 1 76 76 ASN HA H 76 4.000 4.000 4.734 -0.734 18356 7983 1 9 . 1 1 76 76 ASN C C 76 173.600 173.600 174.888 -1.288 18356 7984 1 9 . 1 1 76 76 ASN CA C 76 54.000 54.000 52.881 1.119 18356 7985 1 9 . 1 1 76 76 ASN CB C 76 36.600 36.600 40.145 -3.546 18356 7986 1 9 . 1 1 76 76 ASN H H 76 9.070 9.070 7.449 1.621 18356 7987 1 9 . 1 1 77 77 LEU N N 77 112.300 112.300 117.758 -5.458 18356 7988 1 9 . 1 1 77 77 LEU HA H 77 3.670 3.670 4.500 -0.830 18356 7989 1 9 . 1 1 77 77 LEU C C 77 175.200 175.200 176.779 -1.579 18356 7990 1 9 . 1 1 77 77 LEU CA C 77 55.900 55.900 54.445 1.455 18356 7991 1 9 . 1 1 77 77 LEU CB C 77 37.900 37.900 41.501 -3.601 18356 7992 1 9 . 1 1 77 77 LEU H H 77 7.840 7.840 8.237 -0.397 18356 7993 1 9 . 1 1 78 78 THR N N 78 106.000 106.000 117.605 -11.605 18356 7994 1 9 . 1 1 78 78 THR HA H 78 4.220 4.220 4.323 -0.103 18356 7995 1 9 . 1 1 78 78 THR C C 78 172.200 172.200 174.045 -1.845 18356 7996 1 9 . 1 1 78 78 THR CA C 78 60.600 60.600 63.006 -2.406 18356 7997 1 9 . 1 1 78 78 THR CB C 78 69.300 69.300 68.253 1.047 18356 7998 1 9 . 1 1 78 78 THR H H 78 8.240 8.240 8.383 -0.143 18356 7999 1 9 . 1 1 79 79 ASP N N 79 118.600 118.600 124.323 -5.723 18356 8000 1 9 . 1 1 79 79 ASP HA H 79 4.730 4.730 4.655 0.075 18356 8001 1 9 . 1 1 79 79 ASP C C 79 173.000 173.000 174.422 -1.422 18356 8002 1 9 . 1 1 79 79 ASP CA C 79 51.500 51.500 52.349 -0.849 18356 8003 1 9 . 1 1 79 79 ASP CB C 79 44.300 44.300 43.079 1.221 18356 8004 1 9 . 1 1 79 79 ASP H H 79 7.490 7.490 7.885 -0.395 18356 8005 1 9 . 1 1 80 80 CYS N N 80 115.900 115.900 120.839 -4.939 18356 8006 1 9 . 1 1 80 80 CYS HA H 80 4.470 4.470 4.381 0.089 18356 8007 1 9 . 1 1 80 80 CYS C C 80 174.000 174.000 173.429 0.571 18356 8008 1 9 . 1 1 80 80 CYS CA C 80 56.300 56.300 58.592 -2.292 18356 8009 1 9 . 1 1 80 80 CYS CB C 80 29.500 29.500 29.063 0.437 18356 8010 1 9 . 1 1 80 80 CYS H H 80 8.480 8.480 8.332 0.148 18356 8011 1 9 . 1 1 81 81 ARG N N 81 115.600 115.600 127.391 -11.791 18356 8012 1 9 . 1 1 81 81 ARG HA H 81 4.680 4.680 4.984 -0.304 18356 8013 1 9 . 1 1 81 81 ARG C C 81 175.500 175.500 173.781 1.719 18356 8014 1 9 . 1 1 81 81 ARG CA C 81 54.200 54.200 54.378 -0.178 18356 8015 1 9 . 1 1 81 81 ARG CB C 81 39.000 39.000 34.754 4.246 18356 8016 1 9 . 1 1 81 81 ARG H H 81 8.380 8.380 7.829 0.551 18356 8017 1 9 . 1 1 82 82 TYR N N 82 114.200 114.200 121.038 -6.838 18356 8018 1 9 . 1 1 82 82 TYR HA H 82 5.780 5.780 4.853 0.927 18356 8019 1 9 . 1 1 82 82 TYR C C 82 175.200 175.200 174.419 0.781 18356 8020 1 9 . 1 1 82 82 TYR CA C 82 55.200 55.200 56.111 -0.911 18356 8021 1 9 . 1 1 82 82 TYR CB C 82 42.200 42.200 41.584 0.616 18356 8022 1 9 . 1 1 82 82 TYR H H 82 8.170 8.170 9.115 -0.945 18356 8023 1 9 . 1 1 83 83 ALA N N 83 121.300 121.300 125.308 -4.008 18356 8024 1 9 . 1 1 83 83 ALA HA H 83 5.730 5.730 4.895 0.835 18356 8025 1 9 . 1 1 83 83 ALA C C 83 175.900 175.900 175.195 0.705 18356 8026 1 9 . 1 1 83 83 ALA CA C 83 52.000 52.000 50.678 1.322 18356 8027 1 9 . 1 1 83 83 ALA CB C 83 24.300 24.300 20.942 3.358 18356 8028 1 9 . 1 1 83 83 ALA H H 83 8.780 8.780 8.275 0.505 18356 8029 1 9 . 1 1 84 84 VAL N N 84 111.700 111.700 123.461 -11.761 18356 8030 1 9 . 1 1 84 84 VAL HA H 84 6.180 6.180 4.749 1.431 18356 8031 1 9 . 1 1 84 84 VAL C C 84 176.900 176.900 174.961 1.939 18356 8032 1 9 . 1 1 84 84 VAL CA C 84 58.800 58.800 61.610 -2.810 18356 8033 1 9 . 1 1 84 84 VAL CB C 84 35.600 35.600 33.782 1.819 18356 8034 1 9 . 1 1 84 84 VAL H H 84 9.150 9.150 8.050 1.100 18356 8035 1 9 . 1 1 85 85 PHE N N 85 121.600 121.600 121.084 0.516 18356 8036 1 9 . 1 1 85 85 PHE HA H 85 4.710 4.710 5.125 -0.415 18356 8037 1 9 . 1 1 85 85 PHE C C 85 176.500 176.500 173.193 3.307 18356 8038 1 9 . 1 1 85 85 PHE CA C 85 57.200 57.200 56.602 0.598 18356 8039 1 9 . 1 1 85 85 PHE CB C 85 43.900 43.900 41.465 2.435 18356 8040 1 9 . 1 1 85 85 PHE H H 85 8.780 8.780 7.765 1.015 18356 8041 1 9 . 1 1 86 86 ASP N N 86 126.700 126.700 119.538 7.162 18356 8042 1 9 . 1 1 86 86 ASP HA H 86 4.830 4.830 4.877 -0.047 18356 8043 1 9 . 1 1 86 86 ASP C C 86 171.800 171.800 174.519 -2.719 18356 8044 1 9 . 1 1 86 86 ASP CA C 86 54.300 54.300 53.341 0.959 18356 8045 1 9 . 1 1 86 86 ASP CB C 86 40.300 40.300 43.358 -3.058 18356 8046 1 9 . 1 1 86 86 ASP H H 86 7.490 7.490 8.492 -1.002 18356 8047 1 9 . 1 1 87 87 PHE N N 87 135.000 135.000 121.987 13.013 18356 8048 1 9 . 1 1 87 87 PHE HA H 87 3.980 3.980 4.678 -0.698 18356 8049 1 9 . 1 1 87 87 PHE C C 87 173.600 173.600 174.179 -0.579 18356 8050 1 9 . 1 1 87 87 PHE CA C 87 59.700 59.700 56.898 2.802 18356 8051 1 9 . 1 1 87 87 PHE CB C 87 42.900 42.900 42.673 0.227 18356 8052 1 9 . 1 1 87 87 PHE H H 87 9.600 9.600 9.033 0.567 18356 8053 1 9 . 1 1 88 88 LYS N N 88 127.700 127.700 128.242 -0.542 18356 8054 1 9 . 1 1 88 88 LYS HA H 88 5.260 5.260 4.644 0.616 18356 8055 1 9 . 1 1 88 88 LYS C C 88 176.200 176.200 175.013 1.187 18356 8056 1 9 . 1 1 88 88 LYS CA C 88 55.500 55.500 56.043 -0.543 18356 8057 1 9 . 1 1 88 88 LYS CB C 88 33.100 33.100 31.723 1.377 18356 8058 1 9 . 1 1 88 88 LYS H H 88 7.550 7.550 8.087 -0.537 18356 8059 1 9 . 1 1 89 89 PHE N N 89 119.700 119.700 122.533 -2.833 18356 8060 1 9 . 1 1 89 89 PHE HA H 89 5.290 5.290 4.735 0.555 18356 8061 1 9 . 1 1 89 89 PHE C C 89 172.100 172.100 173.613 -1.513 18356 8062 1 9 . 1 1 89 89 PHE CA C 89 56.300 56.300 55.384 0.916 18356 8063 1 9 . 1 1 89 89 PHE CB C 89 40.200 40.200 41.968 -1.768 18356 8064 1 9 . 1 1 89 89 PHE H H 89 9.600 9.600 8.871 0.729 18356 8065 1 9 . 1 1 90 90 THR N N 90 111.800 111.800 111.088 0.712 18356 8066 1 9 . 1 1 90 90 THR HA H 90 5.170 5.170 5.145 0.025 18356 8067 1 9 . 1 1 90 90 THR C C 90 174.100 174.100 174.137 -0.037 18356 8068 1 9 . 1 1 90 90 THR CA C 90 60.500 60.500 60.389 0.111 18356 8069 1 9 . 1 1 90 90 THR CB C 90 71.200 71.200 71.915 -0.715 18356 8070 1 9 . 1 1 90 90 THR H H 90 8.170 8.170 8.076 0.094 18356 8071 1 9 . 1 1 91 91 CYS N N 91 121.300 121.300 123.194 -1.894 18356 8072 1 9 . 1 1 91 91 CYS HA H 91 4.880 4.880 4.709 0.171 18356 8073 1 9 . 1 1 91 91 CYS C C 91 173.600 173.600 174.579 -0.979 18356 8074 1 9 . 1 1 91 91 CYS CA C 91 57.200 57.200 58.551 -1.351 18356 8075 1 9 . 1 1 91 91 CYS CB C 91 30.300 30.300 29.516 0.784 18356 8076 1 9 . 1 1 91 91 CYS H H 91 8.810 8.810 8.479 0.331 18356 8077 1 9 . 1 1 92 92 SER N N 92 120.800 120.800 120.600 0.200 18356 8078 1 9 . 1 1 92 92 SER HA H 92 4.180 4.180 4.288 -0.108 18356 8079 1 9 . 1 1 92 92 SER C C 92 173.600 173.600 174.689 -1.089 18356 8080 1 9 . 1 1 92 92 SER CA C 92 58.300 58.300 59.887 -1.587 18356 8081 1 9 . 1 1 92 92 SER CB C 92 64.000 64.000 63.816 0.184 18356 8082 1 9 . 1 1 92 92 SER H H 92 8.960 8.960 8.924 0.036 18356 8083 1 9 . 1 1 93 93 ARG N N 93 123.600 123.600 126.249 -2.649 18356 8084 1 9 . 1 1 93 93 ARG HA H 93 4.710 4.710 4.386 0.324 18356 8085 1 9 . 1 1 93 93 ARG C C 93 176.300 176.300 174.974 1.326 18356 8086 1 9 . 1 1 93 93 ARG CA C 93 54.800 54.800 56.150 -1.350 18356 8087 1 9 . 1 1 93 93 ARG CB C 93 32.800 32.800 29.065 3.735 18356 8088 1 9 . 1 1 93 93 ARG H H 93 8.140 8.140 8.644 -0.504 18356 8089 1 9 . 1 1 94 94 VAL N N 94 124.700 124.700 127.155 -2.455 18356 8090 1 9 . 1 1 94 94 VAL HA H 94 3.850 3.850 4.315 -0.465 18356 8091 1 9 . 1 1 94 94 VAL C C 94 177.400 177.400 176.204 1.196 18356 8092 1 9 . 1 1 94 94 VAL CA C 94 64.300 64.300 62.068 2.232 18356 8093 1 9 . 1 1 94 94 VAL CB C 94 31.900 31.900 33.681 -1.781 18356 8094 1 9 . 1 1 94 94 VAL H H 94 8.880 8.880 8.097 0.783 18356 8095 1 9 . 1 1 95 95 GLY N N 95 115.100 115.100 118.231 -3.131 18356 8096 1 9 . 1 1 95 95 GLY C C 95 174.100 174.100 173.397 0.703 18356 8097 1 9 . 1 1 95 95 GLY CA C 95 45.800 45.800 45.478 0.322 18356 8098 1 9 . 1 1 95 95 GLY H H 95 8.900 8.900 8.833 0.067 18356 8099 1 9 . 1 1 96 96 ALA N N 96 123.000 123.000 124.017 -1.017 18356 8100 1 9 . 1 1 96 96 ALA HA H 96 4.520 4.520 4.804 -0.284 18356 8101 1 9 . 1 1 96 96 ALA C C 96 177.500 177.500 176.276 1.224 18356 8102 1 9 . 1 1 96 96 ALA CA C 96 52.100 52.100 50.672 1.428 18356 8103 1 9 . 1 1 96 96 ALA CB C 96 20.300 20.300 21.295 -0.995 18356 8104 1 9 . 1 1 96 96 ALA H H 96 8.070 8.070 7.534 0.536 18356 8105 1 9 . 1 1 97 97 GLY N N 97 107.800 107.800 105.663 2.137 18356 8106 1 9 . 1 1 97 97 GLY C C 97 174.000 174.000 174.628 -0.628 18356 8107 1 9 . 1 1 97 97 GLY CA C 97 45.300 45.300 44.275 1.025 18356 8108 1 9 . 1 1 97 97 GLY H H 97 8.270 8.270 8.467 -0.197 18356 8109 1 9 . 1 1 98 98 THR N N 98 115.600 115.600 116.293 -0.693 18356 8110 1 9 . 1 1 98 98 THR HA H 98 4.720 4.720 4.566 0.154 18356 8111 1 9 . 1 1 98 98 THR C C 98 174.300 174.300 174.470 -0.170 18356 8112 1 9 . 1 1 98 98 THR CA C 98 61.900 61.900 62.897 -0.996 18356 8113 1 9 . 1 1 98 98 THR CB C 98 70.400 70.400 68.502 1.898 18356 8114 1 9 . 1 1 98 98 THR H H 98 8.330 8.330 8.201 0.129 18356 8115 1 9 . 1 1 99 99 SER N N 99 119.900 119.900 122.200 -2.300 18356 8116 1 9 . 1 1 99 99 SER HA H 99 4.660 4.660 4.418 0.242 18356 8117 1 9 . 1 1 99 99 SER C C 99 173.000 173.000 173.338 -0.338 18356 8118 1 9 . 1 1 99 99 SER CA C 99 57.700 57.700 59.015 -1.315 18356 8119 1 9 . 1 1 99 99 SER CB C 99 65.300 65.300 63.961 1.339 18356 8120 1 9 . 1 1 99 99 SER H H 99 8.760 8.760 8.233 0.527 18356 8121 1 9 . 1 1 100 100 LYS N N 100 123.800 123.800 121.441 2.359 18356 8122 1 9 . 1 1 100 100 LYS HA H 100 4.260 4.260 4.984 -0.724 18356 8123 1 9 . 1 1 100 100 LYS C C 100 175.600 175.600 175.121 0.479 18356 8124 1 9 . 1 1 100 100 LYS CA C 100 56.900 56.900 54.676 2.224 18356 8125 1 9 . 1 1 100 100 LYS CB C 100 33.000 33.000 35.596 -2.596 18356 8126 1 9 . 1 1 100 100 LYS H H 100 8.280 8.280 8.271 0.009 18356 8127 1 9 . 1 1 101 101 MET N N 101 123.200 123.200 122.255 0.945 18356 8128 1 9 . 1 1 101 101 MET HA H 101 4.510 4.510 4.499 0.011 18356 8129 1 9 . 1 1 101 101 MET C C 101 172.700 172.700 173.395 -0.695 18356 8130 1 9 . 1 1 101 101 MET CA C 101 54.600 54.600 55.055 -0.455 18356 8131 1 9 . 1 1 101 101 MET CB C 101 35.900 35.900 36.423 -0.523 18356 8132 1 9 . 1 1 101 101 MET H H 101 8.910 8.910 8.298 0.612 18356 8133 1 9 . 1 1 102 102 ASP N N 102 119.000 119.000 122.140 -3.140 18356 8134 1 9 . 1 1 102 102 ASP HA H 102 5.690 5.690 4.782 0.908 18356 8135 1 9 . 1 1 102 102 ASP C C 102 175.600 175.600 174.868 0.732 18356 8136 1 9 . 1 1 102 102 ASP CA C 102 52.500 52.500 53.600 -1.100 18356 8137 1 9 . 1 1 102 102 ASP CB C 102 42.700 42.700 40.548 2.152 18356 8138 1 9 . 1 1 102 102 ASP H H 102 8.030 8.030 8.362 -0.332 18356 8139 1 9 . 1 1 103 103 LYS N N 103 122.100 122.100 124.306 -2.206 18356 8140 1 9 . 1 1 103 103 LYS HA H 103 4.810 4.810 4.739 0.071 18356 8141 1 9 . 1 1 103 103 LYS C C 103 174.400 174.400 175.304 -0.904 18356 8142 1 9 . 1 1 103 103 LYS CA C 103 53.400 53.400 54.123 -0.723 18356 8143 1 9 . 1 1 103 103 LYS CB C 103 36.500 36.500 35.644 0.856 18356 8144 1 9 . 1 1 103 103 LYS H H 103 9.340 9.340 8.033 1.307 18356 8145 1 9 . 1 1 104 104 ILE N N 104 123.500 123.500 126.847 -3.347 18356 8146 1 9 . 1 1 104 104 ILE HA H 104 3.780 3.780 4.235 -0.455 18356 8147 1 9 . 1 1 104 104 ILE C C 104 175.900 175.900 174.489 1.411 18356 8148 1 9 . 1 1 104 104 ILE CA C 104 61.700 61.700 61.277 0.423 18356 8149 1 9 . 1 1 104 104 ILE CB C 104 37.700 37.700 39.148 -1.448 18356 8150 1 9 . 1 1 104 104 ILE H H 104 8.810 8.810 8.906 -0.096 18356 8151 1 9 . 1 1 105 105 ILE N N 105 119.200 119.200 124.922 -5.722 18356 8152 1 9 . 1 1 105 105 ILE HA H 105 5.310 5.310 4.550 0.760 18356 8153 1 9 . 1 1 105 105 ILE C C 105 174.200 174.200 173.543 0.657 18356 8154 1 9 . 1 1 105 105 ILE CA C 105 59.700 59.700 59.256 0.444 18356 8155 1 9 . 1 1 105 105 ILE CB C 105 39.800 39.800 40.327 -0.527 18356 8156 1 9 . 1 1 105 105 ILE H H 105 8.130 8.130 8.551 -0.421 18356 8157 1 9 . 1 1 106 106 PHE N N 106 125.800 125.800 124.025 1.775 18356 8158 1 9 . 1 1 106 106 PHE HA H 106 5.680 5.680 4.898 0.782 18356 8159 1 9 . 1 1 106 106 PHE C C 106 173.500 173.500 173.376 0.124 18356 8160 1 9 . 1 1 106 106 PHE CA C 106 56.000 56.000 56.526 -0.526 18356 8161 1 9 . 1 1 106 106 PHE CB C 106 43.000 43.000 42.103 0.897 18356 8162 1 9 . 1 1 106 106 PHE H H 106 9.570 9.570 8.811 0.759 18356 8163 1 9 . 1 1 107 107 LEU N N 107 125.900 125.900 124.763 1.137 18356 8164 1 9 . 1 1 107 107 LEU HA H 107 5.300 5.300 5.396 -0.096 18356 8165 1 9 . 1 1 107 107 LEU C C 107 174.600 174.600 175.282 -0.682 18356 8166 1 9 . 1 1 107 107 LEU CA C 107 53.300 53.300 52.540 0.760 18356 8167 1 9 . 1 1 107 107 LEU CB C 107 44.400 44.400 44.174 0.226 18356 8168 1 9 . 1 1 107 107 LEU H H 107 9.320 9.320 7.526 1.794 18356 8169 1 9 . 1 1 108 108 GLN N N 108 124.800 124.800 121.152 3.648 18356 8170 1 9 . 1 1 108 108 GLN HA H 108 4.670 4.670 4.664 0.006 18356 8171 1 9 . 1 1 108 108 GLN C C 108 173.900 173.900 175.544 -1.644 18356 8172 1 9 . 1 1 108 108 GLN CA C 108 55.500 55.500 55.103 0.397 18356 8173 1 9 . 1 1 108 108 GLN CB C 108 30.200 30.200 29.235 0.965 18356 8174 1 9 . 1 1 108 108 GLN H H 108 8.620 8.620 8.314 0.306 18356 8175 1 9 . 1 1 109 109 ILE N N 109 128.400 128.400 125.686 2.714 18356 8176 1 9 . 1 1 109 109 ILE HA H 109 4.340 4.340 4.369 -0.029 18356 8177 1 9 . 1 1 109 109 ILE C C 109 173.800 173.800 175.586 -1.786 18356 8178 1 9 . 1 1 109 109 ILE CA C 109 61.500 61.500 59.413 2.087 18356 8179 1 9 . 1 1 109 109 ILE CB C 109 37.600 37.600 36.446 1.154 18356 8180 1 9 . 1 1 109 109 ILE H H 109 8.550 8.550 8.349 0.201 18356 8181 1 9 . 1 1 110 110 CYS N N 110 125.800 125.800 128.216 -2.416 18356 8182 1 9 . 1 1 110 110 CYS HA H 110 5.340 5.340 4.943 0.397 18356 8183 1 9 . 1 1 110 110 CYS C C 110 171.200 171.200 172.271 -1.071 18356 8184 1 9 . 1 1 110 110 CYS CA C 110 54.400 54.400 55.213 -0.813 18356 8185 1 9 . 1 1 110 110 CYS CB C 110 29.400 29.400 30.697 -1.296 18356 8186 1 9 . 1 1 110 110 CYS H H 110 8.330 8.330 9.123 -0.793 18356 8187 1 9 . 1 1 111 111 PRO HA H 111 4.470 4.470 4.585 -0.115 18356 8188 1 9 . 1 1 111 111 PRO CA C 111 59.500 59.500 63.001 -3.501 18356 8189 1 9 . 1 1 112 112 ASP N N 112 120.600 120.600 120.940 -0.340 18356 8190 1 9 . 1 1 112 112 ASP HA H 112 4.260 4.260 4.514 -0.254 18356 8191 1 9 . 1 1 112 112 ASP C C 112 177.400 177.400 177.801 -0.401 18356 8192 1 9 . 1 1 112 112 ASP CA C 112 57.700 57.700 55.742 1.958 18356 8193 1 9 . 1 1 112 112 ASP CB C 112 41.300 41.300 41.130 0.170 18356 8194 1 9 . 1 1 112 112 ASP H H 112 8.390 8.390 8.704 -0.314 18356 8195 1 9 . 1 1 113 113 GLY N N 113 103.400 103.400 108.490 -5.090 18356 8196 1 9 . 1 1 113 113 GLY C C 113 174.500 174.500 173.483 1.017 18356 8197 1 9 . 1 1 113 113 GLY CA C 113 45.500 45.500 44.947 0.553 18356 8198 1 9 . 1 1 113 113 GLY H H 113 8.520 8.520 8.421 0.099 18356 8199 1 9 . 1 1 114 114 ALA N N 114 122.000 122.000 123.965 -1.965 18356 8200 1 9 . 1 1 114 114 ALA HA H 114 4.360 4.360 4.615 -0.255 18356 8201 1 9 . 1 1 114 114 ALA C C 114 176.200 176.200 175.663 0.537 18356 8202 1 9 . 1 1 114 114 ALA CA C 114 51.000 51.000 51.130 -0.130 18356 8203 1 9 . 1 1 114 114 ALA CB C 114 20.500 20.500 20.964 -0.464 18356 8204 1 9 . 1 1 114 114 ALA H H 114 7.560 7.560 7.667 -0.107 18356 8205 1 9 . 1 1 115 115 SER N N 115 115.900 115.900 116.365 -0.465 18356 8206 1 9 . 1 1 115 115 SER HA H 115 4.400 4.400 4.520 -0.120 18356 8207 1 9 . 1 1 115 115 SER C C 115 175.600 175.600 175.946 -0.346 18356 8208 1 9 . 1 1 115 115 SER CA C 115 57.700 57.700 58.778 -1.078 18356 8209 1 9 . 1 1 115 115 SER CB C 115 64.400 64.400 63.277 1.123 18356 8210 1 9 . 1 1 115 115 SER H H 115 8.620 8.620 8.526 0.094 18356 8211 1 9 . 1 1 116 116 ILE N N 116 123.700 123.700 126.811 -3.111 18356 8212 1 9 . 1 1 116 116 ILE HA H 116 4.740 4.740 3.821 0.919 18356 8213 1 9 . 1 1 116 116 ILE C C 116 177.600 177.600 176.845 0.755 18356 8214 1 9 . 1 1 116 116 ILE CA C 116 61.900 61.900 64.333 -2.433 18356 8215 1 9 . 1 1 116 116 ILE CB C 116 37.800 37.800 38.364 -0.564 18356 8216 1 9 . 1 1 116 116 ILE H H 116 8.810 8.810 8.725 0.085 18356 8217 1 9 . 1 1 117 117 LYS N N 117 119.200 119.200 117.467 1.733 18356 8218 1 9 . 1 1 117 117 LYS HA H 117 4.080 4.080 4.080 -0.000 18356 8219 1 9 . 1 1 117 117 LYS C C 117 179.400 179.400 178.429 0.971 18356 8220 1 9 . 1 1 117 117 LYS CA C 117 59.600 59.600 58.898 0.702 18356 8221 1 9 . 1 1 117 117 LYS CB C 117 32.700 32.700 31.288 1.413 18356 8222 1 9 . 1 1 117 117 LYS H H 117 8.140 8.140 8.283 -0.143 18356 8223 1 9 . 1 1 118 118 LYS N N 118 118.700 118.700 119.698 -0.998 18356 8224 1 9 . 1 1 118 118 LYS HA H 118 4.290 4.290 3.947 0.343 18356 8225 1 9 . 1 1 118 118 LYS C C 118 178.700 178.700 178.540 0.160 18356 8226 1 9 . 1 1 118 118 LYS CA C 118 58.500 58.500 57.357 1.143 18356 8227 1 9 . 1 1 118 118 LYS CB C 118 32.500 32.500 31.501 0.999 18356 8228 1 9 . 1 1 118 118 LYS H H 118 7.570 7.570 7.592 -0.022 18356 8229 1 9 . 1 1 119 119 LYS N N 119 118.900 118.900 120.946 -2.046 18356 8230 1 9 . 1 1 119 119 LYS HA H 119 4.340 4.340 4.172 0.168 18356 8231 1 9 . 1 1 119 119 LYS C C 119 179.600 179.600 179.147 0.453 18356 8232 1 9 . 1 1 119 119 LYS CA C 119 61.300 61.300 59.421 1.879 18356 8233 1 9 . 1 1 119 119 LYS CB C 119 32.300 32.300 32.295 0.005 18356 8234 1 9 . 1 1 119 119 LYS H H 119 8.450 8.450 7.636 0.814 18356 8235 1 9 . 1 1 120 120 MET N N 120 117.400 117.400 117.733 -0.333 18356 8236 1 9 . 1 1 120 120 MET HA H 120 4.290 4.290 4.339 -0.049 18356 8237 1 9 . 1 1 120 120 MET C C 120 179.500 179.500 177.880 1.620 18356 8238 1 9 . 1 1 120 120 MET CA C 120 59.100 59.100 58.766 0.334 18356 8239 1 9 . 1 1 120 120 MET CB C 120 32.400 32.400 33.227 -0.827 18356 8240 1 9 . 1 1 120 120 MET H H 120 8.420 8.420 7.462 0.958 18356 8241 1 9 . 1 1 121 121 VAL N N 121 121.800 121.800 120.687 1.113 18356 8242 1 9 . 1 1 121 121 VAL HA H 121 3.980 3.980 3.563 0.417 18356 8243 1 9 . 1 1 121 121 VAL C C 121 179.200 179.200 178.181 1.019 18356 8244 1 9 . 1 1 121 121 VAL CA C 121 66.200 66.200 67.370 -1.170 18356 8245 1 9 . 1 1 121 121 VAL CB C 121 32.300 32.300 30.968 1.333 18356 8246 1 9 . 1 1 121 121 VAL H H 121 8.000 8.000 7.576 0.424 18356 8247 1 9 . 1 1 122 122 TYR N N 122 121.300 121.300 117.941 3.359 18356 8248 1 9 . 1 1 122 122 TYR HA H 122 4.230 4.230 4.347 -0.117 18356 8249 1 9 . 1 1 122 122 TYR C C 122 180.700 180.700 178.037 2.663 18356 8250 1 9 . 1 1 122 122 TYR CA C 122 61.400 61.400 59.771 1.629 18356 8251 1 9 . 1 1 122 122 TYR CB C 122 38.300 38.300 36.899 1.401 18356 8252 1 9 . 1 1 122 122 TYR H H 122 8.610 8.610 7.917 0.693 18356 8253 1 9 . 1 1 123 123 ALA N N 123 124.000 124.000 121.976 2.024 18356 8254 1 9 . 1 1 123 123 ALA HA H 123 4.360 4.360 4.226 0.134 18356 8255 1 9 . 1 1 123 123 ALA C C 123 180.800 180.800 180.033 0.767 18356 8256 1 9 . 1 1 123 123 ALA CA C 123 55.800 55.800 54.583 1.217 18356 8257 1 9 . 1 1 123 123 ALA CB C 123 18.200 18.200 18.312 -0.112 18356 8258 1 9 . 1 1 123 123 ALA H H 123 8.760 8.760 7.878 0.882 18356 8259 1 9 . 1 1 124 124 SER N N 124 113.200 113.200 113.627 -0.427 18356 8260 1 9 . 1 1 124 124 SER HA H 124 4.340 4.340 4.413 -0.073 18356 8261 1 9 . 1 1 124 124 SER C C 124 176.400 176.400 175.908 0.492 18356 8262 1 9 . 1 1 124 124 SER CA C 124 61.500 61.500 60.068 1.432 18356 8263 1 9 . 1 1 124 124 SER CB C 124 63.300 63.300 62.574 0.726 18356 8264 1 9 . 1 1 124 124 SER H H 124 8.500 8.500 8.534 -0.034 18356 8265 1 9 . 1 1 125 125 SER N N 125 115.200 115.200 118.106 -2.906 18356 8266 1 9 . 1 1 125 125 SER HA H 125 4.460 4.460 4.489 -0.029 18356 8267 1 9 . 1 1 125 125 SER C C 125 173.100 173.100 175.204 -2.104 18356 8268 1 9 . 1 1 125 125 SER CA C 125 59.400 59.400 60.779 -1.379 18356 8269 1 9 . 1 1 125 125 SER CB C 125 63.400 63.400 63.330 0.071 18356 8270 1 9 . 1 1 125 125 SER H H 125 7.480 7.480 7.465 0.015 18356 8271 1 9 . 1 1 126 126 ALA N N 126 122.600 122.600 124.756 -2.156 18356 8272 1 9 . 1 1 126 126 ALA HA H 126 3.780 3.780 4.125 -0.345 18356 8273 1 9 . 1 1 126 126 ALA C C 126 178.600 178.600 178.613 -0.013 18356 8274 1 9 . 1 1 126 126 ALA CA C 126 54.900 54.900 54.597 0.303 18356 8275 1 9 . 1 1 126 126 ALA CB C 126 18.700 18.700 18.066 0.634 18356 8276 1 9 . 1 1 126 126 ALA H H 126 7.100 7.100 7.718 -0.618 18356 8277 1 9 . 1 1 127 127 ALA N N 127 118.800 118.800 120.148 -1.348 18356 8278 1 9 . 1 1 127 127 ALA HA H 127 3.860 3.860 3.912 -0.052 18356 8279 1 9 . 1 1 127 127 ALA C C 127 179.700 179.700 178.845 0.855 18356 8280 1 9 . 1 1 127 127 ALA CA C 127 55.200 55.200 54.795 0.404 18356 8281 1 9 . 1 1 127 127 ALA CB C 127 17.700 17.700 18.139 -0.439 18356 8282 1 9 . 1 1 127 127 ALA H H 127 8.480 8.480 7.914 0.566 18356 8283 1 9 . 1 1 128 128 ALA N N 128 120.700 120.700 120.886 -0.186 18356 8284 1 9 . 1 1 128 128 ALA HA H 128 3.990 3.990 4.002 -0.012 18356 8285 1 9 . 1 1 128 128 ALA C C 128 180.600 180.600 178.914 1.686 18356 8286 1 9 . 1 1 128 128 ALA CA C 128 55.100 55.100 55.206 -0.107 18356 8287 1 9 . 1 1 128 128 ALA CB C 128 17.900 17.900 18.635 -0.735 18356 8288 1 9 . 1 1 128 128 ALA H H 128 7.800 7.800 7.510 0.290 18356 8289 1 9 . 1 1 129 129 ILE N N 129 114.900 114.900 115.255 -0.355 18356 8290 1 9 . 1 1 129 129 ILE HA H 129 3.780 3.780 3.898 -0.118 18356 8291 1 9 . 1 1 129 129 ILE C C 129 176.100 176.100 177.348 -1.248 18356 8292 1 9 . 1 1 129 129 ILE CA C 129 63.300 63.300 63.066 0.234 18356 8293 1 9 . 1 1 129 129 ILE CB C 129 37.200 37.200 37.498 -0.298 18356 8294 1 9 . 1 1 129 129 ILE H H 129 7.180 7.180 7.296 -0.116 18356 8295 1 9 . 1 1 130 130 LYS N N 130 122.400 122.400 121.172 1.228 18356 8296 1 9 . 1 1 130 130 LYS HA H 130 3.870 3.870 3.329 0.541 18356 8297 1 9 . 1 1 130 130 LYS C C 130 178.400 178.400 178.604 -0.204 18356 8298 1 9 . 1 1 130 130 LYS CA C 130 61.100 61.100 59.838 1.262 18356 8299 1 9 . 1 1 130 130 LYS CB C 130 31.500 31.500 32.140 -0.640 18356 8300 1 9 . 1 1 130 130 LYS H H 130 7.870 7.870 8.182 -0.312 18356 8301 1 9 . 1 1 131 131 THR N N 131 113.000 113.000 114.671 -1.671 18356 8302 1 9 . 1 1 131 131 THR HA H 131 3.870 3.870 4.138 -0.268 18356 8303 1 9 . 1 1 131 131 THR C C 131 176.300 176.300 176.744 -0.444 18356 8304 1 9 . 1 1 131 131 THR CA C 131 65.900 65.900 66.106 -0.206 18356 8305 1 9 . 1 1 131 131 THR CB C 131 68.700 68.700 68.166 0.534 18356 8306 1 9 . 1 1 131 131 THR H H 131 8.000 8.000 7.836 0.164 18356 8307 1 9 . 1 1 132 132 SER N N 132 117.300 117.300 116.206 1.094 18356 8308 1 9 . 1 1 132 132 SER HA H 132 4.100 4.100 4.380 -0.280 18356 8309 1 9 . 1 1 132 132 SER C C 132 174.900 174.900 175.178 -0.278 18356 8310 1 9 . 1 1 132 132 SER CA C 132 61.900 61.900 61.201 0.699 18356 8311 1 9 . 1 1 132 132 SER CB C 132 63.300 63.300 63.186 0.114 18356 8312 1 9 . 1 1 132 132 SER H H 132 7.290 7.290 7.345 -0.055 18356 8313 1 9 . 1 1 133 133 LEU N N 133 118.100 118.100 115.696 2.404 18356 8314 1 9 . 1 1 133 133 LEU HA H 133 3.700 3.700 4.791 -1.091 18356 8315 1 9 . 1 1 133 133 LEU C C 133 176.600 176.600 177.000 -0.400 18356 8316 1 9 . 1 1 133 133 LEU CA C 133 56.300 56.300 55.557 0.743 18356 8317 1 9 . 1 1 133 133 LEU CB C 133 40.400 40.400 42.519 -2.119 18356 8318 1 9 . 1 1 133 133 LEU H H 133 7.330 7.330 7.208 0.122 18356 8319 1 9 . 1 1 134 134 GLY N N 134 105.600 105.600 103.788 1.812 18356 8320 1 9 . 1 1 134 134 GLY C C 134 174.800 174.800 174.210 0.590 18356 8321 1 9 . 1 1 134 134 GLY CA C 134 45.300 45.300 45.614 -0.314 18356 8322 1 9 . 1 1 134 134 GLY H H 134 7.420 7.420 8.250 -0.830 18356 8323 1 9 . 1 1 135 135 THR N N 135 116.600 116.600 115.099 1.501 18356 8324 1 9 . 1 1 135 135 THR HA H 135 3.870 3.870 3.851 0.019 18356 8325 1 9 . 1 1 135 135 THR C C 135 176.000 176.000 173.947 2.053 18356 8326 1 9 . 1 1 135 135 THR CA C 135 63.900 63.900 65.693 -1.793 18356 8327 1 9 . 1 1 135 135 THR CB C 135 68.600 68.600 67.740 0.860 18356 8328 1 9 . 1 1 135 135 THR H H 135 8.450 8.450 8.216 0.234 18356 8329 1 9 . 1 1 136 136 GLY N N 136 109.300 109.300 108.656 0.644 18356 8330 1 9 . 1 1 136 136 GLY C C 136 175.000 175.000 174.059 0.941 18356 8331 1 9 . 1 1 136 136 GLY CA C 136 45.700 45.700 45.131 0.569 18356 8332 1 9 . 1 1 136 136 GLY H H 136 8.720 8.720 7.975 0.745 18356 8333 1 9 . 1 1 137 137 LYS N N 137 118.500 118.500 119.789 -1.289 18356 8334 1 9 . 1 1 137 137 LYS HA H 137 4.500 4.500 4.353 0.147 18356 8335 1 9 . 1 1 137 137 LYS C C 137 176.200 176.200 176.092 0.108 18356 8336 1 9 . 1 1 137 137 LYS CA C 137 56.300 56.300 56.921 -0.621 18356 8337 1 9 . 1 1 137 137 LYS CB C 137 34.100 34.100 32.589 1.511 18356 8338 1 9 . 1 1 137 137 LYS H H 137 8.110 8.110 8.004 0.106 18356 8339 1 9 . 1 1 138 138 ILE N N 138 111.400 111.400 113.944 -2.544 18356 8340 1 9 . 1 1 138 138 ILE HA H 138 5.050 5.050 4.587 0.463 18356 8341 1 9 . 1 1 138 138 ILE C C 138 174.700 174.700 174.524 0.176 18356 8342 1 9 . 1 1 138 138 ILE CA C 138 59.500 59.500 58.523 0.977 18356 8343 1 9 . 1 1 138 138 ILE CB C 138 41.600 41.600 41.396 0.204 18356 8344 1 9 . 1 1 138 138 ILE H H 138 7.270 7.270 6.936 0.334 18356 8345 1 9 . 1 1 139 139 LEU N N 139 124.600 124.600 124.364 0.236 18356 8346 1 9 . 1 1 139 139 LEU HA H 139 4.690 4.690 4.516 0.174 18356 8347 1 9 . 1 1 139 139 LEU C C 139 175.600 175.600 175.194 0.406 18356 8348 1 9 . 1 1 139 139 LEU CA C 139 54.200 54.200 54.028 0.172 18356 8349 1 9 . 1 1 139 139 LEU CB C 139 43.800 43.800 41.318 2.482 18356 8350 1 9 . 1 1 139 139 LEU H H 139 8.450 8.450 8.107 0.343 18356 8351 1 9 . 1 1 140 140 GLN N N 140 123.500 123.500 124.029 -0.529 18356 8352 1 9 . 1 1 140 140 GLN HA H 140 5.350 5.350 5.456 -0.106 18356 8353 1 9 . 1 1 140 140 GLN C C 140 174.900 174.900 174.666 0.234 18356 8354 1 9 . 1 1 140 140 GLN CA C 140 55.800 55.800 53.443 2.357 18356 8355 1 9 . 1 1 140 140 GLN CB C 140 30.900 30.900 30.304 0.596 18356 8356 1 9 . 1 1 140 140 GLN H H 140 8.590 8.590 8.139 0.451 18356 8357 1 9 . 1 1 141 141 PHE N N 141 120.500 120.500 122.901 -2.401 18356 8358 1 9 . 1 1 141 141 PHE HA H 141 4.870 4.870 4.657 0.213 18356 8359 1 9 . 1 1 141 141 PHE C C 141 174.700 174.700 173.985 0.715 18356 8360 1 9 . 1 1 141 141 PHE CA C 141 57.300 57.300 57.165 0.135 18356 8361 1 9 . 1 1 141 141 PHE CB C 141 42.800 42.800 43.761 -0.961 18356 8362 1 9 . 1 1 141 141 PHE H H 141 9.280 9.280 8.349 0.931 18356 8363 1 9 . 1 1 142 142 GLN N N 142 123.700 123.700 123.859 -0.159 18356 8364 1 9 . 1 1 142 142 GLN HA H 142 4.880 4.880 4.879 0.001 18356 8365 1 9 . 1 1 142 142 GLN C C 142 174.900 174.900 174.780 0.120 18356 8366 1 9 . 1 1 142 142 GLN CA C 142 55.500 55.500 54.768 0.732 18356 8367 1 9 . 1 1 142 142 GLN CB C 142 30.200 30.200 30.542 -0.342 18356 8368 1 9 . 1 1 142 142 GLN H H 142 9.080 9.080 8.661 0.419 18356 8369 1 9 . 1 1 143 143 VAL N N 143 120.900 120.900 121.197 -0.297 18356 8370 1 9 . 1 1 143 143 VAL HA H 143 4.600 4.600 4.660 -0.060 18356 8371 1 9 . 1 1 143 143 VAL C C 143 174.800 174.800 174.470 0.330 18356 8372 1 9 . 1 1 143 143 VAL CA C 143 60.900 60.900 59.886 1.014 18356 8373 1 9 . 1 1 143 143 VAL CB C 143 35.700 35.700 35.264 0.436 18356 8374 1 9 . 1 1 143 143 VAL H H 143 8.560 8.560 9.062 -0.502 18356 8375 1 9 . 1 1 144 144 SER N N 144 120.500 120.500 117.016 3.484 18356 8376 1 9 . 1 1 144 144 SER HA H 144 4.740 4.740 4.735 0.005 18356 8377 1 9 . 1 1 144 144 SER C C 144 173.200 173.200 173.538 -0.338 18356 8378 1 9 . 1 1 144 144 SER CA C 144 58.200 58.200 58.711 -0.511 18356 8379 1 9 . 1 1 144 144 SER CB C 144 65.600 65.600 64.627 0.973 18356 8380 1 9 . 1 1 144 144 SER H H 144 9.640 9.640 8.717 0.923 18356 8381 1 9 . 1 1 145 145 ASP N N 145 118.600 118.600 120.789 -2.189 18356 8382 1 9 . 1 1 145 145 ASP HA H 145 4.700 4.700 4.809 -0.109 18356 8383 1 9 . 1 1 145 145 ASP C C 145 175.500 175.500 176.551 -1.051 18356 8384 1 9 . 1 1 145 145 ASP CA C 145 53.300 53.300 53.602 -0.302 18356 8385 1 9 . 1 1 145 145 ASP CB C 145 44.100 44.100 42.260 1.840 18356 8386 1 9 . 1 1 145 145 ASP H H 145 7.760 7.760 7.850 -0.090 18356 8387 1 9 . 1 1 146 146 GLU N N 146 119.900 119.900 121.090 -1.190 18356 8388 1 9 . 1 1 146 146 GLU HA H 146 3.780 3.780 4.230 -0.450 18356 8389 1 9 . 1 1 146 146 GLU C C 146 177.800 177.800 177.335 0.465 18356 8390 1 9 . 1 1 146 146 GLU CA C 146 59.700 59.700 58.969 0.731 18356 8391 1 9 . 1 1 146 146 GLU CB C 146 29.800 29.800 28.758 1.042 18356 8392 1 9 . 1 1 146 146 GLU H H 146 8.950 8.950 8.714 0.236 18356 8393 1 9 . 1 1 147 147 SER N N 147 116.700 116.700 116.711 -0.011 18356 8394 1 9 . 1 1 147 147 SER HA H 147 4.190 4.190 4.267 -0.077 18356 8395 1 9 . 1 1 147 147 SER C C 147 176.600 176.600 176.164 0.436 18356 8396 1 9 . 1 1 147 147 SER CA C 147 61.500 61.500 61.129 0.371 18356 8397 1 9 . 1 1 147 147 SER CB C 147 60.100 60.100 62.735 -2.635 18356 8398 1 9 . 1 1 147 147 SER H H 147 8.660 8.660 8.380 0.280 18356 8399 1 9 . 1 1 148 148 GLU N N 148 120.300 120.300 120.339 -0.039 18356 8400 1 9 . 1 1 148 148 GLU HA H 148 4.160 4.160 4.151 0.009 18356 8401 1 9 . 1 1 148 148 GLU C C 148 176.200 176.200 176.870 -0.670 18356 8402 1 9 . 1 1 148 148 GLU CA C 148 57.600 57.600 57.589 0.011 18356 8403 1 9 . 1 1 148 148 GLU CB C 148 30.900 30.900 28.761 2.139 18356 8404 1 9 . 1 1 148 148 GLU H H 148 7.940 7.940 8.190 -0.250 18356 8405 1 9 . 1 1 149 149 MET N N 149 116.000 116.000 116.938 -0.938 18356 8406 1 9 . 1 1 149 149 MET HA H 149 4.530 4.530 4.511 0.019 18356 8407 1 9 . 1 1 149 149 MET C C 149 173.000 173.000 176.066 -3.066 18356 8408 1 9 . 1 1 149 149 MET CA C 149 53.400 53.400 55.542 -2.142 18356 8409 1 9 . 1 1 149 149 MET CB C 149 32.900 32.900 33.382 -0.482 18356 8410 1 9 . 1 1 149 149 MET H H 149 7.500 7.500 7.474 0.026 18356 8411 1 9 . 1 1 150 150 SER N N 150 112.400 112.400 115.260 -2.860 18356 8412 1 9 . 1 1 150 150 SER HA H 150 4.710 4.710 4.607 0.103 18356 8413 1 9 . 1 1 150 150 SER C C 150 174.100 174.100 174.994 -0.894 18356 8414 1 9 . 1 1 150 150 SER CA C 150 56.900 56.900 56.586 0.314 18356 8415 1 9 . 1 1 150 150 SER CB C 150 65.300 65.300 64.557 0.743 18356 8416 1 9 . 1 1 150 150 SER H H 150 7.100 7.100 7.449 -0.349 18356 8417 1 9 . 1 1 151 151 HIS N N 151 125.700 125.700 123.223 2.477 18356 8418 1 9 . 1 1 151 151 HIS HA H 151 4.670 4.670 3.987 0.683 18356 8419 1 9 . 1 1 151 151 HIS C C 151 175.900 175.900 176.720 -0.820 18356 8420 1 9 . 1 1 151 151 HIS CA C 151 62.300 62.300 58.205 4.095 18356 8421 1 9 . 1 1 151 151 HIS CB C 151 31.900 31.900 29.282 2.618 18356 8422 1 9 . 1 1 151 151 HIS H H 151 9.510 9.510 8.694 0.816 18356 8423 1 9 . 1 1 152 152 LYS N N 152 115.700 115.700 120.889 -5.189 18356 8424 1 9 . 1 1 152 152 LYS HA H 152 3.690 3.690 3.653 0.037 18356 8425 1 9 . 1 1 152 152 LYS C C 152 178.700 178.700 178.003 0.697 18356 8426 1 9 . 1 1 152 152 LYS CA C 152 59.200 59.200 58.936 0.264 18356 8427 1 9 . 1 1 152 152 LYS CB C 152 32.700 32.700 31.169 1.531 18356 8428 1 9 . 1 1 152 152 LYS H H 152 8.380 8.380 7.894 0.486 18356 8429 1 9 . 1 1 153 153 GLU N N 153 117.400 117.400 118.734 -1.334 18356 8430 1 9 . 1 1 153 153 GLU HA H 153 4.070 4.070 4.240 -0.170 18356 8431 1 9 . 1 1 153 153 GLU C C 153 179.100 179.100 178.216 0.884 18356 8432 1 9 . 1 1 153 153 GLU CA C 153 58.500 58.500 57.095 1.405 18356 8433 1 9 . 1 1 153 153 GLU CB C 153 29.300 29.300 29.946 -0.646 18356 8434 1 9 . 1 1 153 153 GLU H H 153 7.360 7.360 8.077 -0.717 18356 8435 1 9 . 1 1 154 154 LEU N N 154 121.200 121.200 122.173 -0.973 18356 8436 1 9 . 1 1 154 154 LEU HA H 154 3.530 3.530 3.920 -0.390 18356 8437 1 9 . 1 1 154 154 LEU C C 154 178.300 178.300 178.136 0.164 18356 8438 1 9 . 1 1 154 154 LEU CA C 154 57.300 57.300 58.201 -0.901 18356 8439 1 9 . 1 1 154 154 LEU CB C 154 40.500 40.500 41.858 -1.357 18356 8440 1 9 . 1 1 154 154 LEU H H 154 7.730 7.730 7.359 0.371 18356 8441 1 9 . 1 1 155 155 LEU N N 155 118.500 118.500 113.486 5.014 18356 8442 1 9 . 1 1 155 155 LEU HA H 155 3.410 3.410 4.351 -0.941 18356 8443 1 9 . 1 1 155 155 LEU C C 155 179.900 179.900 178.610 1.290 18356 8444 1 9 . 1 1 155 155 LEU CA C 155 57.600 57.600 57.164 0.436 18356 8445 1 9 . 1 1 155 155 LEU CB C 155 41.200 41.200 41.036 0.164 18356 8446 1 9 . 1 1 155 155 LEU H H 155 8.350 8.350 7.524 0.826 18356 8447 1 9 . 1 1 156 156 ASN N N 156 117.900 117.900 119.190 -1.290 18356 8448 1 9 . 1 1 156 156 ASN HA H 156 4.360 4.360 4.524 -0.164 18356 8449 1 9 . 1 1 156 156 ASN C C 156 178.000 178.000 177.161 0.839 18356 8450 1 9 . 1 1 156 156 ASN CA C 156 56.300 56.300 56.230 0.070 18356 8451 1 9 . 1 1 156 156 ASN CB C 156 38.400 38.400 38.500 -0.100 18356 8452 1 9 . 1 1 156 156 ASN H H 156 7.750 7.750 7.809 -0.059 18356 8453 1 9 . 1 1 157 157 LYS N N 157 119.800 119.800 119.154 0.646 18356 8454 1 9 . 1 1 157 157 LYS HA H 157 4.080 4.080 4.215 -0.135 18356 8455 1 9 . 1 1 157 157 LYS C C 157 179.800 179.800 178.374 1.426 18356 8456 1 9 . 1 1 157 157 LYS CA C 157 59.100 59.100 58.513 0.587 18356 8457 1 9 . 1 1 157 157 LYS CB C 157 32.500 32.500 31.546 0.954 18356 8458 1 9 . 1 1 157 157 LYS H H 157 7.770 7.770 7.950 -0.180 18356 8459 1 9 . 1 1 158 158 LEU N N 158 120.900 120.900 121.464 -0.564 18356 8460 1 9 . 1 1 158 158 LEU HA H 158 3.950 3.950 4.034 -0.084 18356 8461 1 9 . 1 1 158 158 LEU C C 158 179.000 179.000 178.223 0.777 18356 8462 1 9 . 1 1 158 158 LEU CA C 158 57.800 57.800 57.315 0.485 18356 8463 1 9 . 1 1 158 158 LEU CB C 158 41.200 41.200 41.352 -0.152 18356 8464 1 9 . 1 1 158 158 LEU H H 158 8.200 8.200 7.454 0.746 18356 8465 1 9 . 1 1 159 159 GLY N N 159 106.500 106.500 105.930 0.570 18356 8466 1 9 . 1 1 159 159 GLY C C 159 176.300 176.300 176.036 0.264 18356 8467 1 9 . 1 1 159 159 GLY CA C 159 46.900 46.900 46.751 0.149 18356 8468 1 9 . 1 1 159 159 GLY H H 159 8.290 8.290 7.538 0.752 18356 8469 1 9 . 1 1 160 160 GLU N N 160 120.700 120.700 122.387 -1.687 18356 8470 1 9 . 1 1 160 160 GLU HA H 160 4.070 4.070 4.164 -0.094 18356 8471 1 9 . 1 1 160 160 GLU C C 160 177.800 177.800 179.356 -1.556 18356 8472 1 9 . 1 1 160 160 GLU CA C 160 58.300 58.300 59.166 -0.866 18356 8473 1 9 . 1 1 160 160 GLU CB C 160 30.000 30.000 29.687 0.313 18356 8474 1 9 . 1 1 160 160 GLU H H 160 7.850 7.850 7.997 -0.147 18356 8475 1 9 . 1 1 161 161 LYS N N 161 118.100 118.100 117.572 0.528 18356 8476 1 9 . 1 1 161 161 LYS HA H 161 4.070 4.070 4.140 -0.070 18356 8477 1 9 . 1 1 161 161 LYS C C 161 177.600 177.600 177.781 -0.181 18356 8478 1 9 . 1 1 161 161 LYS CA C 161 57.800 57.800 57.119 0.681 18356 8479 1 9 . 1 1 161 161 LYS CB C 161 33.200 33.200 32.105 1.095 18356 8480 1 9 . 1 1 161 161 LYS H H 161 7.660 7.660 7.930 -0.270 18356 8481 1 9 . 1 1 162 162 TYR N N 162 115.400 115.400 118.116 -2.716 18356 8482 1 9 . 1 1 162 162 TYR HA H 162 4.750 4.750 4.395 0.355 18356 8483 1 9 . 1 1 162 162 TYR C C 162 176.000 176.000 175.919 0.081 18356 8484 1 9 . 1 1 162 162 TYR CA C 162 59.000 59.000 59.150 -0.150 18356 8485 1 9 . 1 1 162 162 TYR CB C 162 39.800 39.800 40.522 -0.722 18356 8486 1 9 . 1 1 162 162 TYR H H 162 8.090 8.090 7.583 0.507 18356 8487 1 9 . 1 1 163 163 GLY N N 163 109.000 109.000 104.888 4.112 18356 8488 1 9 . 1 1 163 163 GLY C C 163 173.500 173.500 174.263 -0.763 18356 8489 1 9 . 1 1 163 163 GLY CA C 163 45.500 45.500 44.748 0.751 18356 8490 1 9 . 1 1 163 163 GLY H H 163 8.090 8.090 7.619 0.471 18356 8491 1 9 . 1 1 164 164 ASP N N 164 120.100 120.100 120.215 -0.115 18356 8492 1 9 . 1 1 164 164 ASP HA H 164 4.640 4.640 4.409 0.231 18356 8493 1 9 . 1 1 164 164 ASP C C 164 175.300 175.300 174.263 1.037 18356 8494 1 9 . 1 1 164 164 ASP CA C 164 54.600 54.600 57.530 -2.930 18356 8495 1 9 . 1 1 164 164 ASP CB C 164 41.700 41.700 40.443 1.257 18356 8496 1 9 . 1 1 164 164 ASP H H 164 8.320 8.320 8.718 -0.398 18356 8497 1 10 . 1 1 2 2 SER N N 2 115.100 115.100 118.163 -3.063 18356 8498 1 10 . 1 1 2 2 SER HA H 2 4.820 4.820 4.393 0.427 18356 8499 1 10 . 1 1 2 2 SER CA C 2 62.300 62.300 60.209 2.091 18356 8500 1 10 . 1 1 2 2 SER CB C 2 67.300 67.300 64.322 2.978 18356 8501 1 10 . 1 1 2 2 SER H H 2 8.350 8.350 8.706 -0.356 18356 8502 1 10 . 1 1 3 3 SER HA H 3 3.860 3.860 4.687 -0.827 18356 8503 1 10 . 1 1 3 3 SER CA C 3 55.800 55.800 58.304 -2.504 18356 8504 1 10 . 1 1 3 3 SER CB C 3 61.300 61.300 63.651 -2.351 18356 8505 1 10 . 1 1 4 4 GLY N N 4 110.700 110.700 109.657 1.043 18356 8506 1 10 . 1 1 4 4 GLY C C 4 173.400 173.400 173.708 -0.308 18356 8507 1 10 . 1 1 4 4 GLY CA C 4 45.100 45.100 45.284 -0.184 18356 8508 1 10 . 1 1 4 4 GLY H H 4 8.320 8.320 8.214 0.106 18356 8509 1 10 . 1 1 5 5 VAL N N 5 119.400 119.400 121.380 -1.980 18356 8510 1 10 . 1 1 5 5 VAL HA H 5 4.200 4.200 3.888 0.312 18356 8511 1 10 . 1 1 5 5 VAL C C 5 175.300 175.300 175.063 0.237 18356 8512 1 10 . 1 1 5 5 VAL CA C 5 61.700 61.700 62.911 -1.211 18356 8513 1 10 . 1 1 5 5 VAL CB C 5 33.100 33.100 32.478 0.622 18356 8514 1 10 . 1 1 5 5 VAL H H 5 7.810 7.810 7.535 0.275 18356 8515 1 10 . 1 1 6 6 MET N N 6 124.000 124.000 128.346 -4.346 18356 8516 1 10 . 1 1 6 6 MET HA H 6 4.650 4.650 4.750 -0.100 18356 8517 1 10 . 1 1 6 6 MET C C 6 174.800 174.800 174.920 -0.120 18356 8518 1 10 . 1 1 6 6 MET CA C 6 54.200 54.200 54.880 -0.680 18356 8519 1 10 . 1 1 6 6 MET CB C 6 36.000 36.000 34.360 1.640 18356 8520 1 10 . 1 1 6 6 MET H H 6 8.180 8.180 8.772 -0.592 18356 8521 1 10 . 1 1 7 7 VAL N N 7 122.400 122.400 118.173 4.227 18356 8522 1 10 . 1 1 7 7 VAL HA H 7 4.090 4.090 4.377 -0.287 18356 8523 1 10 . 1 1 7 7 VAL C C 7 175.500 175.500 174.936 0.564 18356 8524 1 10 . 1 1 7 7 VAL CA C 7 62.300 62.300 59.688 2.612 18356 8525 1 10 . 1 1 7 7 VAL CB C 7 32.500 32.500 32.661 -0.161 18356 8526 1 10 . 1 1 7 7 VAL H H 7 8.790 8.790 8.107 0.683 18356 8527 1 10 . 1 1 8 8 ASP N N 8 131.400 131.400 124.569 6.831 18356 8528 1 10 . 1 1 8 8 ASP HA H 8 4.710 4.710 4.912 -0.202 18356 8529 1 10 . 1 1 8 8 ASP C C 8 175.800 175.800 175.425 0.375 18356 8530 1 10 . 1 1 8 8 ASP CA C 8 53.900 53.900 52.057 1.843 18356 8531 1 10 . 1 1 8 8 ASP CB C 8 44.800 44.800 40.788 4.012 18356 8532 1 10 . 1 1 8 8 ASP H H 8 8.800 8.800 8.564 0.236 18356 8533 1 10 . 1 1 9 9 PRO HA H 9 4.480 4.480 4.550 -0.070 18356 8534 1 10 . 1 1 9 9 PRO CA C 9 63.000 63.000 63.997 -0.997 18356 8535 1 10 . 1 1 10 10 ASP N N 10 116.700 116.700 120.283 -3.583 18356 8536 1 10 . 1 1 10 10 ASP HA H 10 4.780 4.780 4.526 0.254 18356 8537 1 10 . 1 1 10 10 ASP C C 10 179.100 179.100 177.904 1.196 18356 8538 1 10 . 1 1 10 10 ASP CA C 10 56.200 56.200 57.090 -0.890 18356 8539 1 10 . 1 1 10 10 ASP CB C 10 40.700 40.700 40.794 -0.094 18356 8540 1 10 . 1 1 10 10 ASP H H 10 9.060 9.060 8.268 0.792 18356 8541 1 10 . 1 1 11 11 VAL N N 11 122.600 122.600 120.137 2.463 18356 8542 1 10 . 1 1 11 11 VAL HA H 11 3.630 3.630 3.595 0.035 18356 8543 1 10 . 1 1 11 11 VAL C C 11 176.900 176.900 178.032 -1.132 18356 8544 1 10 . 1 1 11 11 VAL CA C 11 67.400 67.400 66.427 0.973 18356 8545 1 10 . 1 1 11 11 VAL CB C 11 31.100 31.100 31.738 -0.638 18356 8546 1 10 . 1 1 11 11 VAL H H 11 8.510 8.510 7.726 0.784 18356 8547 1 10 . 1 1 12 12 GLN N N 12 117.400 117.400 116.577 0.823 18356 8548 1 10 . 1 1 12 12 GLN HA H 12 4.030 4.030 4.050 -0.020 18356 8549 1 10 . 1 1 12 12 GLN C C 12 178.800 178.800 178.452 0.348 18356 8550 1 10 . 1 1 12 12 GLN CA C 12 59.800 59.800 59.028 0.772 18356 8551 1 10 . 1 1 12 12 GLN CB C 12 29.000 29.000 28.383 0.617 18356 8552 1 10 . 1 1 12 12 GLN H H 12 7.740 7.740 8.629 -0.889 18356 8553 1 10 . 1 1 13 13 THR N N 13 113.600 113.600 115.915 -2.315 18356 8554 1 10 . 1 1 13 13 THR HA H 13 4.020 4.020 4.108 -0.088 18356 8555 1 10 . 1 1 13 13 THR C C 13 177.600 177.600 176.699 0.901 18356 8556 1 10 . 1 1 13 13 THR CA C 13 66.100 66.100 66.400 -0.300 18356 8557 1 10 . 1 1 13 13 THR CB C 13 68.400 68.400 68.726 -0.326 18356 8558 1 10 . 1 1 13 13 THR H H 13 7.910 7.910 7.675 0.235 18356 8559 1 10 . 1 1 14 14 SER N N 14 118.100 118.100 117.841 0.259 18356 8560 1 10 . 1 1 14 14 SER HA H 14 4.330 4.330 4.354 -0.024 18356 8561 1 10 . 1 1 14 14 SER C C 14 175.900 175.900 176.529 -0.629 18356 8562 1 10 . 1 1 14 14 SER CA C 14 63.400 63.400 61.378 2.022 18356 8563 1 10 . 1 1 14 14 SER CB C 14 62.300 62.300 62.850 -0.550 18356 8564 1 10 . 1 1 14 14 SER H H 14 8.630 8.630 8.283 0.347 18356 8565 1 10 . 1 1 15 15 PHE N N 15 122.400 122.400 120.524 1.876 18356 8566 1 10 . 1 1 15 15 PHE HA H 15 4.260 4.260 4.296 -0.036 18356 8567 1 10 . 1 1 15 15 PHE C C 15 178.900 178.900 177.667 1.233 18356 8568 1 10 . 1 1 15 15 PHE CA C 15 62.200 62.200 60.137 2.063 18356 8569 1 10 . 1 1 15 15 PHE CB C 15 40.000 40.000 38.105 1.895 18356 8570 1 10 . 1 1 15 15 PHE H H 15 8.280 8.280 7.681 0.599 18356 8571 1 10 . 1 1 16 16 GLN N N 16 121.400 121.400 118.389 3.011 18356 8572 1 10 . 1 1 16 16 GLN HA H 16 3.970 3.970 4.124 -0.154 18356 8573 1 10 . 1 1 16 16 GLN C C 16 177.600 177.600 177.860 -0.260 18356 8574 1 10 . 1 1 16 16 GLN CA C 16 59.400 59.400 59.290 0.110 18356 8575 1 10 . 1 1 16 16 GLN CB C 16 28.100 28.100 28.009 0.090 18356 8576 1 10 . 1 1 16 16 GLN H H 16 8.600 8.600 8.354 0.246 18356 8577 1 10 . 1 1 17 17 LYS N N 17 117.000 117.000 116.934 0.066 18356 8578 1 10 . 1 1 17 17 LYS HA H 17 4.180 4.180 4.330 -0.150 18356 8579 1 10 . 1 1 17 17 LYS C C 17 175.200 175.200 178.613 -3.413 18356 8580 1 10 . 1 1 17 17 LYS CA C 17 58.800 58.800 58.142 0.657 18356 8581 1 10 . 1 1 17 17 LYS CB C 17 33.300 33.300 32.511 0.789 18356 8582 1 10 . 1 1 17 17 LYS H H 17 7.440 7.440 7.699 -0.259 18356 8583 1 10 . 1 1 18 18 LEU N N 18 118.900 118.900 121.870 -2.970 18356 8584 1 10 . 1 1 18 18 LEU HA H 18 4.440 4.440 4.555 -0.115 18356 8585 1 10 . 1 1 18 18 LEU C C 18 173.600 173.600 177.786 -4.186 18356 8586 1 10 . 1 1 18 18 LEU CA C 18 57.200 57.200 57.263 -0.063 18356 8587 1 10 . 1 1 18 18 LEU CB C 18 44.200 44.200 42.369 1.831 18356 8588 1 10 . 1 1 18 18 LEU H H 18 7.510 7.510 7.630 -0.120 18356 8589 1 10 . 1 1 19 19 SER N N 19 110.200 110.200 111.694 -1.494 18356 8590 1 10 . 1 1 19 19 SER HA H 19 3.980 3.980 4.385 -0.405 18356 8591 1 10 . 1 1 19 19 SER C C 19 174.400 174.400 175.940 -1.540 18356 8592 1 10 . 1 1 19 19 SER CA C 19 59.500 59.500 61.003 -1.503 18356 8593 1 10 . 1 1 19 19 SER CB C 19 65.200 65.200 63.673 1.527 18356 8594 1 10 . 1 1 19 19 SER H H 19 7.860 7.860 8.182 -0.322 18356 8595 1 10 . 1 1 20 20 GLU N N 20 120.500 120.500 117.442 3.058 18356 8596 1 10 . 1 1 20 20 GLU HA H 20 4.530 4.530 4.553 -0.023 18356 8597 1 10 . 1 1 20 20 GLU C C 20 176.100 176.100 176.965 -0.865 18356 8598 1 10 . 1 1 20 20 GLU CA C 20 55.400 55.400 56.009 -0.609 18356 8599 1 10 . 1 1 20 20 GLU CB C 20 31.700 31.700 31.358 0.342 18356 8600 1 10 . 1 1 20 20 GLU H H 20 7.990 7.990 7.625 0.365 18356 8601 1 10 . 1 1 21 21 GLY N N 21 107.000 107.000 108.946 -1.946 18356 8602 1 10 . 1 1 21 21 GLY C C 21 175.400 175.400 174.837 0.563 18356 8603 1 10 . 1 1 21 21 GLY CA C 21 46.800 46.800 44.543 2.257 18356 8604 1 10 . 1 1 21 21 GLY H H 21 8.480 8.480 7.963 0.517 18356 8605 1 10 . 1 1 22 22 ARG N N 22 124.100 124.100 125.479 -1.379 18356 8606 1 10 . 1 1 22 22 ARG HA H 22 4.130 4.130 4.346 -0.216 18356 8607 1 10 . 1 1 22 22 ARG C C 22 175.900 175.900 176.488 -0.588 18356 8608 1 10 . 1 1 22 22 ARG CA C 22 56.900 56.900 56.814 0.086 18356 8609 1 10 . 1 1 22 22 ARG CB C 22 29.900 29.900 30.393 -0.493 18356 8610 1 10 . 1 1 22 22 ARG H H 22 8.680 8.680 8.762 -0.082 18356 8611 1 10 . 1 1 23 23 LYS N N 23 117.800 117.800 114.743 3.057 18356 8612 1 10 . 1 1 23 23 LYS HA H 23 3.950 3.950 4.486 -0.536 18356 8613 1 10 . 1 1 23 23 LYS C C 23 176.200 176.200 177.394 -1.194 18356 8614 1 10 . 1 1 23 23 LYS CA C 23 57.200 57.200 56.303 0.897 18356 8615 1 10 . 1 1 23 23 LYS CB C 23 29.900 29.900 31.741 -1.841 18356 8616 1 10 . 1 1 23 23 LYS H H 23 8.130 8.130 7.971 0.159 18356 8617 1 10 . 1 1 24 24 GLU N N 24 117.900 117.900 120.089 -2.189 18356 8618 1 10 . 1 1 24 24 GLU HA H 24 3.910 3.910 3.993 -0.083 18356 8619 1 10 . 1 1 24 24 GLU C C 24 177.500 177.500 176.633 0.867 18356 8620 1 10 . 1 1 24 24 GLU CA C 24 58.500 58.500 58.055 0.445 18356 8621 1 10 . 1 1 24 24 GLU CB C 24 30.900 30.900 30.280 0.620 18356 8622 1 10 . 1 1 24 24 GLU H H 24 8.170 8.170 7.601 0.569 18356 8623 1 10 . 1 1 25 25 TYR N N 25 113.100 113.100 118.270 -5.170 18356 8624 1 10 . 1 1 25 25 TYR HA H 25 4.530 4.530 4.671 -0.141 18356 8625 1 10 . 1 1 25 25 TYR C C 25 173.600 173.600 175.116 -1.516 18356 8626 1 10 . 1 1 25 25 TYR CA C 25 55.300 55.300 57.383 -2.083 18356 8627 1 10 . 1 1 25 25 TYR CB C 25 40.200 40.200 40.165 0.035 18356 8628 1 10 . 1 1 25 25 TYR H H 25 6.950 6.950 7.859 -0.909 18356 8629 1 10 . 1 1 26 26 ARG N N 26 120.500 120.500 121.500 -1.000 18356 8630 1 10 . 1 1 26 26 ARG HA H 26 4.660 4.660 4.396 0.264 18356 8631 1 10 . 1 1 26 26 ARG C C 26 174.600 174.600 175.318 -0.718 18356 8632 1 10 . 1 1 26 26 ARG CA C 26 54.000 54.000 57.321 -3.321 18356 8633 1 10 . 1 1 26 26 ARG CB C 26 31.500 31.500 31.463 0.037 18356 8634 1 10 . 1 1 26 26 ARG H H 26 9.450 9.450 8.588 0.862 18356 8635 1 10 . 1 1 27 27 TYR N N 27 109.700 109.700 112.348 -2.648 18356 8636 1 10 . 1 1 27 27 TYR HA H 27 4.930 4.930 5.315 -0.385 18356 8637 1 10 . 1 1 27 27 TYR C C 27 172.700 172.700 173.779 -1.079 18356 8638 1 10 . 1 1 27 27 TYR CA C 27 56.200 56.200 56.643 -0.443 18356 8639 1 10 . 1 1 27 27 TYR CB C 27 40.800 40.800 40.629 0.171 18356 8640 1 10 . 1 1 27 27 TYR H H 27 7.450 7.450 7.166 0.284 18356 8641 1 10 . 1 1 28 28 ILE N N 28 117.400 117.400 122.021 -4.621 18356 8642 1 10 . 1 1 28 28 ILE HA H 28 4.780 4.780 4.640 0.140 18356 8643 1 10 . 1 1 28 28 ILE C C 28 174.400 174.400 173.985 0.415 18356 8644 1 10 . 1 1 28 28 ILE CA C 28 60.200 60.200 59.666 0.534 18356 8645 1 10 . 1 1 28 28 ILE CB C 28 43.300 43.300 42.899 0.401 18356 8646 1 10 . 1 1 28 28 ILE H H 28 8.750 8.750 8.244 0.506 18356 8647 1 10 . 1 1 29 29 ILE N N 29 125.100 125.100 121.105 3.995 18356 8648 1 10 . 1 1 29 29 ILE HA H 29 4.670 4.670 5.524 -0.854 18356 8649 1 10 . 1 1 29 29 ILE C C 29 174.600 174.600 174.036 0.564 18356 8650 1 10 . 1 1 29 29 ILE CA C 29 60.800 60.800 59.169 1.631 18356 8651 1 10 . 1 1 29 29 ILE CB C 29 40.500 40.500 40.683 -0.183 18356 8652 1 10 . 1 1 29 29 ILE H H 29 9.180 9.180 7.933 1.247 18356 8653 1 10 . 1 1 30 30 PHE N N 30 126.100 126.100 123.690 2.410 18356 8654 1 10 . 1 1 30 30 PHE HA H 30 5.760 5.760 5.840 -0.080 18356 8655 1 10 . 1 1 30 30 PHE C C 30 174.100 174.100 175.235 -1.135 18356 8656 1 10 . 1 1 30 30 PHE CA C 30 55.900 55.900 56.511 -0.611 18356 8657 1 10 . 1 1 30 30 PHE CB C 30 42.300 42.300 43.304 -1.004 18356 8658 1 10 . 1 1 30 30 PHE H H 30 9.650 9.650 9.574 0.076 18356 8659 1 10 . 1 1 31 31 LYS N N 31 118.900 118.900 119.927 -1.027 18356 8660 1 10 . 1 1 31 31 LYS HA H 31 5.320 5.320 5.596 -0.276 18356 8661 1 10 . 1 1 31 31 LYS C C 31 173.000 173.000 174.902 -1.902 18356 8662 1 10 . 1 1 31 31 LYS CA C 31 53.800 53.800 54.958 -1.158 18356 8663 1 10 . 1 1 31 31 LYS CB C 31 38.100 38.100 36.752 1.348 18356 8664 1 10 . 1 1 31 31 LYS H H 31 8.990 8.990 9.432 -0.442 18356 8665 1 10 . 1 1 32 32 ILE N N 32 120.500 120.500 124.145 -3.645 18356 8666 1 10 . 1 1 32 32 ILE HA H 32 4.780 4.780 4.894 -0.114 18356 8667 1 10 . 1 1 32 32 ILE C C 32 175.200 175.200 173.905 1.295 18356 8668 1 10 . 1 1 32 32 ILE CA C 32 60.700 60.700 59.524 1.176 18356 8669 1 10 . 1 1 32 32 ILE CB C 32 41.300 41.300 40.282 1.018 18356 8670 1 10 . 1 1 32 32 ILE H H 32 8.420 8.420 8.709 -0.289 18356 8671 1 10 . 1 1 33 33 ASP N N 33 130.100 130.100 129.866 0.234 18356 8672 1 10 . 1 1 33 33 ASP HA H 33 4.880 4.880 4.928 -0.048 18356 8673 1 10 . 1 1 33 33 ASP C C 33 175.300 175.300 176.410 -1.110 18356 8674 1 10 . 1 1 33 33 ASP CA C 33 53.500 53.500 53.104 0.396 18356 8675 1 10 . 1 1 33 33 ASP CB C 33 44.500 44.500 44.177 0.323 18356 8676 1 10 . 1 1 33 33 ASP H H 33 9.270 9.270 8.188 1.082 18356 8677 1 10 . 1 1 34 34 GLU N N 34 123.600 123.600 123.069 0.531 18356 8678 1 10 . 1 1 34 34 GLU HA H 34 3.730 3.730 4.234 -0.504 18356 8679 1 10 . 1 1 34 34 GLU C C 34 175.000 175.000 177.727 -2.727 18356 8680 1 10 . 1 1 34 34 GLU CA C 34 58.200 58.200 57.727 0.473 18356 8681 1 10 . 1 1 34 34 GLU CB C 34 27.500 27.500 29.713 -2.213 18356 8682 1 10 . 1 1 34 34 GLU H H 34 9.040 9.040 8.957 0.083 18356 8683 1 10 . 1 1 35 35 ASN N N 35 114.200 114.200 117.663 -3.463 18356 8684 1 10 . 1 1 35 35 ASN HA H 35 4.380 4.380 4.631 -0.251 18356 8685 1 10 . 1 1 35 35 ASN C C 35 173.500 173.500 174.923 -1.423 18356 8686 1 10 . 1 1 35 35 ASN CA C 35 53.700 53.700 54.880 -1.180 18356 8687 1 10 . 1 1 35 35 ASN CB C 35 38.500 38.500 39.811 -1.311 18356 8688 1 10 . 1 1 35 35 ASN H H 35 8.570 8.570 8.613 -0.043 18356 8689 1 10 . 1 1 36 36 LYS N N 36 118.400 118.400 119.550 -1.150 18356 8690 1 10 . 1 1 36 36 LYS HA H 36 5.340 5.340 4.538 0.802 18356 8691 1 10 . 1 1 36 36 LYS C C 36 174.900 174.900 175.766 -0.866 18356 8692 1 10 . 1 1 36 36 LYS CA C 36 54.500 54.500 54.362 0.138 18356 8693 1 10 . 1 1 36 36 LYS CB C 36 36.100 36.100 32.703 3.397 18356 8694 1 10 . 1 1 36 36 LYS H H 36 7.750 7.750 7.581 0.169 18356 8695 1 10 . 1 1 37 37 VAL N N 37 122.900 122.900 121.999 0.901 18356 8696 1 10 . 1 1 37 37 VAL HA H 37 4.550 4.550 4.469 0.081 18356 8697 1 10 . 1 1 37 37 VAL C C 37 174.600 174.600 174.359 0.241 18356 8698 1 10 . 1 1 37 37 VAL CA C 37 62.000 62.000 62.269 -0.269 18356 8699 1 10 . 1 1 37 37 VAL CB C 37 32.300 32.300 30.275 2.025 18356 8700 1 10 . 1 1 37 37 VAL H H 37 8.790 8.790 8.904 -0.114 18356 8701 1 10 . 1 1 38 38 ILE N N 38 119.600 119.600 121.173 -1.573 18356 8702 1 10 . 1 1 38 38 ILE HA H 38 4.880 4.880 5.343 -0.463 18356 8703 1 10 . 1 1 38 38 ILE C C 38 176.200 176.200 175.532 0.668 18356 8704 1 10 . 1 1 38 38 ILE CA C 38 59.300 59.300 59.195 0.105 18356 8705 1 10 . 1 1 38 38 ILE CB C 38 42.800 42.800 42.957 -0.157 18356 8706 1 10 . 1 1 38 38 ILE H H 38 9.230 9.230 8.385 0.845 18356 8707 1 10 . 1 1 39 39 VAL N N 39 121.300 121.300 125.752 -4.452 18356 8708 1 10 . 1 1 39 39 VAL HA H 39 3.850 3.850 4.401 -0.551 18356 8709 1 10 . 1 1 39 39 VAL C C 39 175.300 175.300 174.969 0.331 18356 8710 1 10 . 1 1 39 39 VAL CA C 39 63.900 63.900 61.857 2.043 18356 8711 1 10 . 1 1 39 39 VAL CB C 39 32.100 32.100 32.249 -0.150 18356 8712 1 10 . 1 1 39 39 VAL H H 39 9.070 9.070 8.326 0.744 18356 8713 1 10 . 1 1 40 40 GLU N N 40 131.200 131.200 128.417 2.783 18356 8714 1 10 . 1 1 40 40 GLU HA H 40 4.270 4.270 4.805 -0.535 18356 8715 1 10 . 1 1 40 40 GLU C C 40 176.000 176.000 174.680 1.320 18356 8716 1 10 . 1 1 40 40 GLU CA C 40 57.200 57.200 54.406 2.794 18356 8717 1 10 . 1 1 40 40 GLU CB C 40 32.300 32.300 33.711 -1.411 18356 8718 1 10 . 1 1 40 40 GLU H H 40 9.230 9.230 9.269 -0.039 18356 8719 1 10 . 1 1 41 41 ALA N N 41 118.100 118.100 124.209 -6.109 18356 8720 1 10 . 1 1 41 41 ALA HA H 41 4.440 4.440 4.184 0.256 18356 8721 1 10 . 1 1 41 41 ALA C C 41 173.300 173.300 175.982 -2.682 18356 8722 1 10 . 1 1 41 41 ALA CA C 41 52.000 52.000 50.971 1.029 18356 8723 1 10 . 1 1 41 41 ALA CB C 41 21.800 21.800 19.140 2.660 18356 8724 1 10 . 1 1 41 41 ALA H H 41 7.670 7.670 8.455 -0.785 18356 8725 1 10 . 1 1 42 42 ALA N N 42 127.600 127.600 128.073 -0.473 18356 8726 1 10 . 1 1 42 42 ALA HA H 42 4.520 4.520 4.845 -0.325 18356 8727 1 10 . 1 1 42 42 ALA C C 42 174.900 174.900 175.802 -0.902 18356 8728 1 10 . 1 1 42 42 ALA CA C 42 51.700 51.700 50.233 1.468 18356 8729 1 10 . 1 1 42 42 ALA CB C 42 19.100 19.100 21.571 -2.471 18356 8730 1 10 . 1 1 42 42 ALA H H 42 8.480 8.480 8.941 -0.461 18356 8731 1 10 . 1 1 43 43 VAL N N 43 124.900 124.900 118.463 6.437 18356 8732 1 10 . 1 1 43 43 VAL HA H 43 4.350 4.350 4.160 0.190 18356 8733 1 10 . 1 1 43 43 VAL C C 43 176.100 176.100 175.851 0.249 18356 8734 1 10 . 1 1 43 43 VAL CA C 43 62.100 62.100 61.344 0.755 18356 8735 1 10 . 1 1 43 43 VAL CB C 43 34.300 34.300 32.058 2.242 18356 8736 1 10 . 1 1 43 43 VAL H H 43 7.820 7.820 8.378 -0.558 18356 8737 1 10 . 1 1 44 44 THR N N 44 119.400 119.400 113.210 6.190 18356 8738 1 10 . 1 1 44 44 THR HA H 44 4.800 4.800 4.528 0.272 18356 8739 1 10 . 1 1 44 44 THR C C 44 174.300 174.300 175.871 -1.571 18356 8740 1 10 . 1 1 44 44 THR CA C 44 60.300 60.300 61.169 -0.869 18356 8741 1 10 . 1 1 44 44 THR CB C 44 71.200 71.200 70.688 0.512 18356 8742 1 10 . 1 1 44 44 THR H H 44 8.670 8.670 7.959 0.711 18356 8743 1 10 . 1 1 45 45 GLN N N 45 119.800 119.800 120.605 -0.805 18356 8744 1 10 . 1 1 45 45 GLN HA H 45 4.010 4.010 4.256 -0.246 18356 8745 1 10 . 1 1 45 45 GLN C C 45 179.600 179.600 176.922 2.678 18356 8746 1 10 . 1 1 45 45 GLN CA C 45 59.000 59.000 58.175 0.825 18356 8747 1 10 . 1 1 45 45 GLN CB C 45 27.600 27.600 28.982 -1.382 18356 8748 1 10 . 1 1 45 45 GLN H H 45 8.660 8.660 9.485 -0.825 18356 8749 1 10 . 1 1 46 46 ASP N N 46 117.300 117.300 118.171 -0.871 18356 8750 1 10 . 1 1 46 46 ASP HA H 46 4.390 4.390 4.482 -0.092 18356 8751 1 10 . 1 1 46 46 ASP C C 46 178.900 178.900 176.953 1.947 18356 8752 1 10 . 1 1 46 46 ASP CA C 46 57.100 57.100 56.478 0.621 18356 8753 1 10 . 1 1 46 46 ASP CB C 46 40.800 40.800 40.866 -0.066 18356 8754 1 10 . 1 1 46 46 ASP H H 46 8.430 8.430 8.575 -0.145 18356 8755 1 10 . 1 1 47 47 GLN N N 47 118.900 118.900 117.884 1.016 18356 8756 1 10 . 1 1 47 47 GLN HA H 47 4.030 4.030 4.524 -0.494 18356 8757 1 10 . 1 1 47 47 GLN C C 47 178.000 178.000 177.427 0.573 18356 8758 1 10 . 1 1 47 47 GLN CA C 47 57.800 57.800 58.021 -0.221 18356 8759 1 10 . 1 1 47 47 GLN CB C 47 29.100 29.100 28.388 0.712 18356 8760 1 10 . 1 1 47 47 GLN H H 47 7.830 7.830 8.084 -0.254 18356 8761 1 10 . 1 1 48 48 LEU N N 48 118.100 118.100 114.736 3.364 18356 8762 1 10 . 1 1 48 48 LEU HA H 48 4.180 4.180 4.483 -0.303 18356 8763 1 10 . 1 1 48 48 LEU C C 48 177.600 177.600 177.719 -0.119 18356 8764 1 10 . 1 1 48 48 LEU CA C 48 56.300 56.300 55.893 0.407 18356 8765 1 10 . 1 1 48 48 LEU CB C 48 43.100 43.100 41.230 1.870 18356 8766 1 10 . 1 1 48 48 LEU H H 48 7.560 7.560 7.487 0.073 18356 8767 1 10 . 1 1 49 49 GLY N N 49 105.600 105.600 108.330 -2.730 18356 8768 1 10 . 1 1 49 49 GLY C C 49 174.700 174.700 174.185 0.515 18356 8769 1 10 . 1 1 49 49 GLY CA C 49 47.000 47.000 45.700 1.300 18356 8770 1 10 . 1 1 49 49 GLY H H 49 7.570 7.570 8.066 -0.496 18356 8771 1 10 . 1 1 50 50 ILE N N 50 117.700 117.700 121.656 -3.956 18356 8772 1 10 . 1 1 50 50 ILE HA H 50 4.340 4.340 4.455 -0.115 18356 8773 1 10 . 1 1 50 50 ILE C C 50 176.500 176.500 175.797 0.703 18356 8774 1 10 . 1 1 50 50 ILE CA C 50 59.900 59.900 59.709 0.191 18356 8775 1 10 . 1 1 50 50 ILE CB C 50 38.900 38.900 40.717 -1.817 18356 8776 1 10 . 1 1 50 50 ILE H H 50 7.940 7.940 8.104 -0.164 18356 8777 1 10 . 1 1 51 51 THR N N 51 117.500 117.500 117.610 -0.110 18356 8778 1 10 . 1 1 51 51 THR HA H 51 4.420 4.420 4.123 0.297 18356 8779 1 10 . 1 1 51 51 THR C C 51 174.900 174.900 175.846 -0.946 18356 8780 1 10 . 1 1 51 51 THR CA C 51 61.700 61.700 65.106 -3.406 18356 8781 1 10 . 1 1 51 51 THR CB C 51 69.900 69.900 69.348 0.552 18356 8782 1 10 . 1 1 51 51 THR H H 51 8.480 8.480 8.620 -0.140 18356 8783 1 10 . 1 1 52 52 GLY N N 52 111.200 111.200 107.174 4.026 18356 8784 1 10 . 1 1 52 52 GLY C C 52 172.700 172.700 172.474 0.226 18356 8785 1 10 . 1 1 52 52 GLY CA C 52 44.600 44.600 44.820 -0.220 18356 8786 1 10 . 1 1 52 52 GLY H H 52 8.080 8.080 7.938 0.142 18356 8787 1 10 . 1 1 53 53 ASP N N 53 120.800 120.800 120.795 0.005 18356 8788 1 10 . 1 1 53 53 ASP HA H 53 4.660 4.660 4.464 0.196 18356 8789 1 10 . 1 1 53 53 ASP C C 53 177.800 177.800 174.857 2.943 18356 8790 1 10 . 1 1 53 53 ASP CA C 53 53.900 53.900 55.344 -1.444 18356 8791 1 10 . 1 1 53 53 ASP CB C 53 42.700 42.700 40.573 2.127 18356 8792 1 10 . 1 1 53 53 ASP H H 53 8.490 8.490 8.288 0.202 18356 8793 1 10 . 1 1 54 54 ASP N N 54 124.100 124.100 122.571 1.529 18356 8794 1 10 . 1 1 54 54 ASP HA H 54 4.630 4.630 4.553 0.078 18356 8795 1 10 . 1 1 54 54 ASP C C 54 177.100 177.100 176.894 0.206 18356 8796 1 10 . 1 1 54 54 ASP CA C 54 56.600 56.600 55.155 1.445 18356 8797 1 10 . 1 1 54 54 ASP CB C 54 42.800 42.800 42.412 0.388 18356 8798 1 10 . 1 1 54 54 ASP H H 54 8.500 8.500 8.221 0.279 18356 8799 1 10 . 1 1 55 55 TYR N N 55 114.900 114.900 119.620 -4.720 18356 8800 1 10 . 1 1 55 55 TYR HA H 55 4.560 4.560 4.540 0.020 18356 8801 1 10 . 1 1 55 55 TYR C C 55 178.900 178.900 176.280 2.620 18356 8802 1 10 . 1 1 55 55 TYR CA C 55 62.400 62.400 59.856 2.544 18356 8803 1 10 . 1 1 55 55 TYR CB C 55 37.300 37.300 37.422 -0.122 18356 8804 1 10 . 1 1 55 55 TYR H H 55 8.350 8.350 8.211 0.139 18356 8805 1 10 . 1 1 56 56 ASP N N 56 119.600 119.600 119.928 -0.328 18356 8806 1 10 . 1 1 56 56 ASP HA H 56 4.560 4.560 4.461 0.099 18356 8807 1 10 . 1 1 56 56 ASP C C 56 177.300 177.300 176.368 0.932 18356 8808 1 10 . 1 1 56 56 ASP CA C 56 57.200 57.200 55.856 1.343 18356 8809 1 10 . 1 1 56 56 ASP CB C 56 40.600 40.600 40.738 -0.138 18356 8810 1 10 . 1 1 56 56 ASP H H 56 8.320 8.320 8.079 0.241 18356 8811 1 10 . 1 1 57 57 ASP N N 57 116.600 116.600 119.228 -2.628 18356 8812 1 10 . 1 1 57 57 ASP HA H 57 4.940 4.940 4.693 0.247 18356 8813 1 10 . 1 1 57 57 ASP C C 57 178.100 178.100 177.812 0.288 18356 8814 1 10 . 1 1 57 57 ASP CA C 57 52.400 52.400 54.914 -2.514 18356 8815 1 10 . 1 1 57 57 ASP CB C 57 41.100 41.100 42.591 -1.491 18356 8816 1 10 . 1 1 57 57 ASP H H 57 7.740 7.740 7.961 -0.221 18356 8817 1 10 . 1 1 58 58 SER N N 58 117.600 117.600 114.996 2.604 18356 8818 1 10 . 1 1 58 58 SER HA H 58 4.800 4.800 4.666 0.134 18356 8819 1 10 . 1 1 58 58 SER C C 58 174.600 174.600 175.472 -0.872 18356 8820 1 10 . 1 1 58 58 SER CA C 58 60.200 60.200 59.554 0.646 18356 8821 1 10 . 1 1 58 58 SER CB C 58 63.000 63.000 64.256 -1.256 18356 8822 1 10 . 1 1 58 58 SER H H 58 8.130 8.130 7.969 0.161 18356 8823 1 10 . 1 1 59 59 SER N N 59 105.400 105.400 115.987 -10.587 18356 8824 1 10 . 1 1 59 59 SER HA H 59 4.580 4.580 4.047 0.533 18356 8825 1 10 . 1 1 59 59 SER C C 59 173.200 173.200 175.479 -2.279 18356 8826 1 10 . 1 1 59 59 SER CA C 59 60.500 60.500 60.924 -0.424 18356 8827 1 10 . 1 1 59 59 SER CB C 59 66.100 66.100 62.069 4.031 18356 8828 1 10 . 1 1 59 59 SER H H 59 9.010 9.010 8.063 0.947 18356 8829 1 10 . 1 1 60 60 LYS N N 60 123.100 123.100 122.203 0.897 18356 8830 1 10 . 1 1 60 60 LYS HA H 60 4.080 4.080 4.444 -0.364 18356 8831 1 10 . 1 1 60 60 LYS C C 60 176.500 176.500 178.292 -1.792 18356 8832 1 10 . 1 1 60 60 LYS CA C 60 61.000 61.000 58.856 2.144 18356 8833 1 10 . 1 1 60 60 LYS CB C 60 32.800 32.800 32.529 0.271 18356 8834 1 10 . 1 1 60 60 LYS H H 60 7.450 7.450 8.384 -0.934 18356 8835 1 10 . 1 1 61 61 ALA N N 61 120.700 120.700 120.164 0.536 18356 8836 1 10 . 1 1 61 61 ALA HA H 61 4.130 4.130 4.232 -0.102 18356 8837 1 10 . 1 1 61 61 ALA C C 61 181.800 181.800 179.868 1.932 18356 8838 1 10 . 1 1 61 61 ALA CA C 61 55.500 55.500 54.279 1.221 18356 8839 1 10 . 1 1 61 61 ALA CB C 61 17.900 17.900 17.754 0.146 18356 8840 1 10 . 1 1 61 61 ALA H H 61 8.800 8.800 8.528 0.272 18356 8841 1 10 . 1 1 62 62 ALA N N 62 119.900 119.900 122.535 -2.635 18356 8842 1 10 . 1 1 62 62 ALA HA H 62 4.040 4.040 3.721 0.319 18356 8843 1 10 . 1 1 62 62 ALA C C 62 178.600 178.600 178.564 0.036 18356 8844 1 10 . 1 1 62 62 ALA CA C 62 55.400 55.400 54.576 0.824 18356 8845 1 10 . 1 1 62 62 ALA CB C 62 19.700 19.700 18.195 1.505 18356 8846 1 10 . 1 1 62 62 ALA H H 62 8.760 8.760 7.498 1.262 18356 8847 1 10 . 1 1 63 63 PHE N N 63 120.400 120.400 116.460 3.940 18356 8848 1 10 . 1 1 63 63 PHE HA H 63 3.660 3.660 4.554 -0.894 18356 8849 1 10 . 1 1 63 63 PHE C C 63 177.300 177.300 178.103 -0.803 18356 8850 1 10 . 1 1 63 63 PHE CA C 63 62.200 62.200 60.189 2.011 18356 8851 1 10 . 1 1 63 63 PHE CB C 63 39.600 39.600 38.187 1.413 18356 8852 1 10 . 1 1 63 63 PHE H H 63 9.380 9.380 7.209 2.171 18356 8853 1 10 . 1 1 64 64 ASP N N 64 119.700 119.700 120.628 -0.928 18356 8854 1 10 . 1 1 64 64 ASP HA H 64 4.410 4.410 4.407 0.003 18356 8855 1 10 . 1 1 64 64 ASP C C 64 180.200 180.200 178.291 1.909 18356 8856 1 10 . 1 1 64 64 ASP CA C 64 57.700 57.700 58.108 -0.408 18356 8857 1 10 . 1 1 64 64 ASP CB C 64 39.600 39.600 40.745 -1.145 18356 8858 1 10 . 1 1 64 64 ASP H H 64 9.180 9.180 7.868 1.312 18356 8859 1 10 . 1 1 65 65 LYS N N 65 119.800 119.800 118.645 1.155 18356 8860 1 10 . 1 1 65 65 LYS HA H 65 4.080 4.080 4.288 -0.208 18356 8861 1 10 . 1 1 65 65 LYS C C 65 179.100 179.100 178.614 0.486 18356 8862 1 10 . 1 1 65 65 LYS CA C 65 59.600 59.600 57.626 1.974 18356 8863 1 10 . 1 1 65 65 LYS CB C 65 32.500 32.500 31.494 1.006 18356 8864 1 10 . 1 1 65 65 LYS H H 65 7.420 7.420 7.463 -0.043 18356 8865 1 10 . 1 1 66 66 PHE N N 66 123.400 123.400 120.965 2.435 18356 8866 1 10 . 1 1 66 66 PHE HA H 66 4.340 4.340 4.108 0.232 18356 8867 1 10 . 1 1 66 66 PHE C C 66 175.900 175.900 177.835 -1.935 18356 8868 1 10 . 1 1 66 66 PHE CA C 66 59.900 59.900 60.397 -0.497 18356 8869 1 10 . 1 1 66 66 PHE CB C 66 38.300 38.300 38.480 -0.180 18356 8870 1 10 . 1 1 66 66 PHE H H 66 8.000 8.000 7.675 0.325 18356 8871 1 10 . 1 1 67 67 VAL N N 67 120.200 120.200 118.271 1.929 18356 8872 1 10 . 1 1 67 67 VAL HA H 67 2.600 2.600 3.852 -1.252 18356 8873 1 10 . 1 1 67 67 VAL C C 67 177.700 177.700 177.266 0.434 18356 8874 1 10 . 1 1 67 67 VAL CA C 67 67.100 67.100 64.378 2.722 18356 8875 1 10 . 1 1 67 67 VAL CB C 67 31.700 31.700 31.713 -0.013 18356 8876 1 10 . 1 1 67 67 VAL H H 67 8.500 8.500 8.017 0.483 18356 8877 1 10 . 1 1 68 68 GLU N N 68 118.300 118.300 120.891 -2.591 18356 8878 1 10 . 1 1 68 68 GLU HA H 68 3.800 3.800 4.023 -0.223 18356 8879 1 10 . 1 1 68 68 GLU C C 68 178.800 178.800 178.978 -0.178 18356 8880 1 10 . 1 1 68 68 GLU CA C 68 59.500 59.500 59.270 0.230 18356 8881 1 10 . 1 1 68 68 GLU CB C 68 29.400 29.400 29.352 0.048 18356 8882 1 10 . 1 1 68 68 GLU H H 68 7.510 7.510 7.662 -0.152 18356 8883 1 10 . 1 1 69 69 ASP N N 69 121.400 121.400 118.575 2.825 18356 8884 1 10 . 1 1 69 69 ASP HA H 69 4.360 4.360 4.569 -0.209 18356 8885 1 10 . 1 1 69 69 ASP C C 69 178.100 178.100 178.580 -0.480 18356 8886 1 10 . 1 1 69 69 ASP CA C 69 56.500 56.500 56.213 0.287 18356 8887 1 10 . 1 1 69 69 ASP CB C 69 40.900 40.900 40.782 0.118 18356 8888 1 10 . 1 1 69 69 ASP H H 69 7.750 7.750 7.816 -0.066 18356 8889 1 10 . 1 1 70 70 VAL N N 70 117.600 117.600 119.977 -2.377 18356 8890 1 10 . 1 1 70 70 VAL HA H 70 3.050 3.050 3.550 -0.500 18356 8891 1 10 . 1 1 70 70 VAL C C 70 179.900 179.900 177.260 2.640 18356 8892 1 10 . 1 1 70 70 VAL CA C 70 67.500 67.500 65.980 1.520 18356 8893 1 10 . 1 1 70 70 VAL CB C 70 32.400 32.400 31.082 1.318 18356 8894 1 10 . 1 1 70 70 VAL H H 70 8.230 8.230 7.510 0.720 18356 8895 1 10 . 1 1 71 71 LYS N N 71 120.900 120.900 120.323 0.577 18356 8896 1 10 . 1 1 71 71 LYS HA H 71 3.450 3.450 3.994 -0.544 18356 8897 1 10 . 1 1 71 71 LYS C C 71 177.700 177.700 179.074 -1.374 18356 8898 1 10 . 1 1 71 71 LYS CA C 71 61.900 61.900 59.932 1.968 18356 8899 1 10 . 1 1 71 71 LYS CB C 71 32.400 32.400 31.953 0.447 18356 8900 1 10 . 1 1 71 71 LYS H H 71 8.900 8.900 7.640 1.260 18356 8901 1 10 . 1 1 72 72 SER N N 72 114.200 114.200 114.586 -0.386 18356 8902 1 10 . 1 1 72 72 SER HA H 72 4.340 4.340 4.216 0.124 18356 8903 1 10 . 1 1 72 72 SER C C 72 178.300 178.300 176.260 2.040 18356 8904 1 10 . 1 1 72 72 SER CA C 72 61.500 61.500 60.900 0.600 18356 8905 1 10 . 1 1 72 72 SER CB C 72 63.000 63.000 62.947 0.053 18356 8906 1 10 . 1 1 72 72 SER H H 72 8.000 8.000 8.210 -0.210 18356 8907 1 10 . 1 1 73 73 ARG N N 73 119.700 119.700 120.309 -0.609 18356 8908 1 10 . 1 1 73 73 ARG HA H 73 4.160 4.160 4.272 -0.112 18356 8909 1 10 . 1 1 73 73 ARG C C 73 177.000 177.000 178.771 -1.771 18356 8910 1 10 . 1 1 73 73 ARG CA C 73 58.700 58.700 58.837 -0.137 18356 8911 1 10 . 1 1 73 73 ARG CB C 73 30.300 30.300 30.380 -0.080 18356 8912 1 10 . 1 1 73 73 ARG H H 73 8.430 8.430 7.396 1.034 18356 8913 1 10 . 1 1 74 74 THR N N 74 103.500 103.500 109.942 -6.442 18356 8914 1 10 . 1 1 74 74 THR HA H 74 4.210 4.210 4.181 0.029 18356 8915 1 10 . 1 1 74 74 THR C C 74 173.500 173.500 174.966 -1.466 18356 8916 1 10 . 1 1 74 74 THR CA C 74 60.300 60.300 63.892 -3.591 18356 8917 1 10 . 1 1 74 74 THR CB C 74 70.100 70.100 68.536 1.564 18356 8918 1 10 . 1 1 74 74 THR H H 74 7.400 7.400 7.775 -0.375 18356 8919 1 10 . 1 1 75 75 ASP N N 75 121.300 121.300 121.493 -0.193 18356 8920 1 10 . 1 1 75 75 ASP HA H 75 4.280 4.280 4.584 -0.304 18356 8921 1 10 . 1 1 75 75 ASP C C 75 176.500 176.500 175.586 0.914 18356 8922 1 10 . 1 1 75 75 ASP CA C 75 55.300 55.300 54.726 0.574 18356 8923 1 10 . 1 1 75 75 ASP CB C 75 38.400 38.400 41.502 -3.102 18356 8924 1 10 . 1 1 75 75 ASP H H 75 7.900 7.900 7.676 0.224 18356 8925 1 10 . 1 1 76 76 ASN N N 76 116.400 116.400 119.713 -3.313 18356 8926 1 10 . 1 1 76 76 ASN HA H 76 4.000 4.000 4.550 -0.550 18356 8927 1 10 . 1 1 76 76 ASN C C 76 173.600 173.600 175.630 -2.030 18356 8928 1 10 . 1 1 76 76 ASN CA C 76 54.000 54.000 53.543 0.457 18356 8929 1 10 . 1 1 76 76 ASN CB C 76 36.600 36.600 38.324 -1.724 18356 8930 1 10 . 1 1 76 76 ASN H H 76 9.070 9.070 7.402 1.668 18356 8931 1 10 . 1 1 77 77 LEU N N 77 112.300 112.300 124.550 -12.250 18356 8932 1 10 . 1 1 77 77 LEU HA H 77 3.670 3.670 4.323 -0.653 18356 8933 1 10 . 1 1 77 77 LEU C C 77 175.200 175.200 177.473 -2.273 18356 8934 1 10 . 1 1 77 77 LEU CA C 77 55.900 55.900 55.986 -0.086 18356 8935 1 10 . 1 1 77 77 LEU CB C 77 37.900 37.900 42.365 -4.465 18356 8936 1 10 . 1 1 77 77 LEU H H 77 7.840 7.840 8.130 -0.290 18356 8937 1 10 . 1 1 78 78 THR N N 78 106.000 106.000 113.148 -7.148 18356 8938 1 10 . 1 1 78 78 THR HA H 78 4.220 4.220 4.494 -0.274 18356 8939 1 10 . 1 1 78 78 THR C C 78 172.200 172.200 172.515 -0.315 18356 8940 1 10 . 1 1 78 78 THR CA C 78 60.600 60.600 61.642 -1.042 18356 8941 1 10 . 1 1 78 78 THR CB C 78 69.300 69.300 69.240 0.061 18356 8942 1 10 . 1 1 78 78 THR H H 78 8.240 8.240 7.998 0.242 18356 8943 1 10 . 1 1 79 79 ASP N N 79 118.600 118.600 121.960 -3.360 18356 8944 1 10 . 1 1 79 79 ASP HA H 79 4.730 4.730 5.141 -0.411 18356 8945 1 10 . 1 1 79 79 ASP C C 79 173.000 173.000 173.380 -0.380 18356 8946 1 10 . 1 1 79 79 ASP CA C 79 51.500 51.500 53.129 -1.629 18356 8947 1 10 . 1 1 79 79 ASP CB C 79 44.300 44.300 43.228 1.072 18356 8948 1 10 . 1 1 79 79 ASP H H 79 7.490 7.490 7.866 -0.376 18356 8949 1 10 . 1 1 80 80 CYS N N 80 115.900 115.900 116.895 -0.995 18356 8950 1 10 . 1 1 80 80 CYS HA H 80 4.470 4.470 4.662 -0.192 18356 8951 1 10 . 1 1 80 80 CYS C C 80 174.000 174.000 173.227 0.773 18356 8952 1 10 . 1 1 80 80 CYS CA C 80 56.300 56.300 57.605 -1.305 18356 8953 1 10 . 1 1 80 80 CYS CB C 80 29.500 29.500 31.721 -2.220 18356 8954 1 10 . 1 1 80 80 CYS H H 80 8.480 8.480 8.218 0.262 18356 8955 1 10 . 1 1 81 81 ARG N N 81 115.600 115.600 121.292 -5.692 18356 8956 1 10 . 1 1 81 81 ARG HA H 81 4.680 4.680 5.259 -0.579 18356 8957 1 10 . 1 1 81 81 ARG C C 81 175.500 175.500 174.200 1.300 18356 8958 1 10 . 1 1 81 81 ARG CA C 81 54.200 54.200 53.907 0.293 18356 8959 1 10 . 1 1 81 81 ARG CB C 81 39.000 39.000 34.115 4.885 18356 8960 1 10 . 1 1 81 81 ARG H H 81 8.380 8.380 8.127 0.253 18356 8961 1 10 . 1 1 82 82 TYR N N 82 114.200 114.200 120.522 -6.322 18356 8962 1 10 . 1 1 82 82 TYR HA H 82 5.780 5.780 4.956 0.824 18356 8963 1 10 . 1 1 82 82 TYR C C 82 175.200 175.200 174.519 0.681 18356 8964 1 10 . 1 1 82 82 TYR CA C 82 55.200 55.200 56.392 -1.192 18356 8965 1 10 . 1 1 82 82 TYR CB C 82 42.200 42.200 42.758 -0.557 18356 8966 1 10 . 1 1 82 82 TYR H H 82 8.170 8.170 9.248 -1.078 18356 8967 1 10 . 1 1 83 83 ALA N N 83 121.300 121.300 124.728 -3.428 18356 8968 1 10 . 1 1 83 83 ALA HA H 83 5.730 5.730 5.158 0.572 18356 8969 1 10 . 1 1 83 83 ALA C C 83 175.900 175.900 174.785 1.115 18356 8970 1 10 . 1 1 83 83 ALA CA C 83 52.000 52.000 50.309 1.691 18356 8971 1 10 . 1 1 83 83 ALA CB C 83 24.300 24.300 22.348 1.952 18356 8972 1 10 . 1 1 83 83 ALA H H 83 8.780 8.780 8.772 0.008 18356 8973 1 10 . 1 1 84 84 VAL N N 84 111.700 111.700 124.686 -12.986 18356 8974 1 10 . 1 1 84 84 VAL HA H 84 6.180 6.180 5.454 0.726 18356 8975 1 10 . 1 1 84 84 VAL C C 84 176.900 176.900 174.038 2.862 18356 8976 1 10 . 1 1 84 84 VAL CA C 84 58.800 58.800 60.752 -1.952 18356 8977 1 10 . 1 1 84 84 VAL CB C 84 35.600 35.600 35.473 0.127 18356 8978 1 10 . 1 1 84 84 VAL H H 84 9.150 9.150 8.212 0.938 18356 8979 1 10 . 1 1 85 85 PHE N N 85 121.600 121.600 123.860 -2.260 18356 8980 1 10 . 1 1 85 85 PHE HA H 85 4.710 4.710 5.251 -0.541 18356 8981 1 10 . 1 1 85 85 PHE C C 85 176.500 176.500 172.971 3.529 18356 8982 1 10 . 1 1 85 85 PHE CA C 85 57.200 57.200 56.892 0.309 18356 8983 1 10 . 1 1 85 85 PHE CB C 85 43.900 43.900 41.120 2.780 18356 8984 1 10 . 1 1 85 85 PHE H H 85 8.780 8.780 8.502 0.278 18356 8985 1 10 . 1 1 86 86 ASP N N 86 126.700 126.700 119.488 7.212 18356 8986 1 10 . 1 1 86 86 ASP HA H 86 4.830 4.830 5.155 -0.325 18356 8987 1 10 . 1 1 86 86 ASP C C 86 171.800 171.800 175.202 -3.402 18356 8988 1 10 . 1 1 86 86 ASP CA C 86 54.300 54.300 53.174 1.126 18356 8989 1 10 . 1 1 86 86 ASP CB C 86 40.300 40.300 42.922 -2.622 18356 8990 1 10 . 1 1 86 86 ASP H H 86 7.490 7.490 8.880 -1.390 18356 8991 1 10 . 1 1 87 87 PHE N N 87 135.000 135.000 122.446 12.554 18356 8992 1 10 . 1 1 87 87 PHE HA H 87 3.980 3.980 4.958 -0.978 18356 8993 1 10 . 1 1 87 87 PHE C C 87 173.600 173.600 174.615 -1.015 18356 8994 1 10 . 1 1 87 87 PHE CA C 87 59.700 59.700 56.565 3.135 18356 8995 1 10 . 1 1 87 87 PHE CB C 87 42.900 42.900 42.894 0.006 18356 8996 1 10 . 1 1 87 87 PHE H H 87 9.600 9.600 8.572 1.028 18356 8997 1 10 . 1 1 88 88 LYS N N 88 127.700 127.700 128.353 -0.653 18356 8998 1 10 . 1 1 88 88 LYS HA H 88 5.260 5.260 4.775 0.485 18356 8999 1 10 . 1 1 88 88 LYS C C 88 176.200 176.200 175.346 0.854 18356 9000 1 10 . 1 1 88 88 LYS CA C 88 55.500 55.500 55.741 -0.241 18356 9001 1 10 . 1 1 88 88 LYS CB C 88 33.100 33.100 31.875 1.225 18356 9002 1 10 . 1 1 88 88 LYS H H 88 7.550 7.550 8.324 -0.774 18356 9003 1 10 . 1 1 89 89 PHE N N 89 119.700 119.700 124.117 -4.417 18356 9004 1 10 . 1 1 89 89 PHE HA H 89 5.290 5.290 4.576 0.714 18356 9005 1 10 . 1 1 89 89 PHE C C 89 172.100 172.100 173.826 -1.726 18356 9006 1 10 . 1 1 89 89 PHE CA C 89 56.300 56.300 54.635 1.665 18356 9007 1 10 . 1 1 89 89 PHE CB C 89 40.200 40.200 40.040 0.160 18356 9008 1 10 . 1 1 89 89 PHE H H 89 9.600 9.600 8.743 0.857 18356 9009 1 10 . 1 1 90 90 THR N N 90 111.800 111.800 112.602 -0.802 18356 9010 1 10 . 1 1 90 90 THR HA H 90 5.170 5.170 4.639 0.531 18356 9011 1 10 . 1 1 90 90 THR C C 90 174.100 174.100 173.745 0.355 18356 9012 1 10 . 1 1 90 90 THR CA C 90 60.500 60.500 60.904 -0.404 18356 9013 1 10 . 1 1 90 90 THR CB C 90 71.200 71.200 70.224 0.976 18356 9014 1 10 . 1 1 90 90 THR H H 90 8.170 8.170 8.223 -0.053 18356 9015 1 10 . 1 1 91 91 CYS N N 91 121.300 121.300 127.044 -5.744 18356 9016 1 10 . 1 1 91 91 CYS HA H 91 4.880 4.880 4.740 0.140 18356 9017 1 10 . 1 1 91 91 CYS C C 91 173.600 173.600 174.655 -1.055 18356 9018 1 10 . 1 1 91 91 CYS CA C 91 57.200 57.200 57.177 0.023 18356 9019 1 10 . 1 1 91 91 CYS CB C 91 30.300 30.300 30.111 0.189 18356 9020 1 10 . 1 1 91 91 CYS H H 91 8.810 8.810 8.803 0.007 18356 9021 1 10 . 1 1 92 92 SER N N 92 120.800 120.800 119.586 1.214 18356 9022 1 10 . 1 1 92 92 SER HA H 92 4.180 4.180 4.359 -0.179 18356 9023 1 10 . 1 1 92 92 SER C C 92 173.600 173.600 174.017 -0.417 18356 9024 1 10 . 1 1 92 92 SER CA C 92 58.300 58.300 58.802 -0.502 18356 9025 1 10 . 1 1 92 92 SER CB C 92 64.000 64.000 63.781 0.219 18356 9026 1 10 . 1 1 92 92 SER H H 92 8.960 8.960 8.697 0.263 18356 9027 1 10 . 1 1 93 93 ARG N N 93 123.600 123.600 124.598 -0.998 18356 9028 1 10 . 1 1 93 93 ARG HA H 93 4.710 4.710 4.353 0.357 18356 9029 1 10 . 1 1 93 93 ARG C C 93 176.300 176.300 174.960 1.340 18356 9030 1 10 . 1 1 93 93 ARG CA C 93 54.800 54.800 56.169 -1.369 18356 9031 1 10 . 1 1 93 93 ARG CB C 93 32.800 32.800 28.689 4.111 18356 9032 1 10 . 1 1 93 93 ARG H H 93 8.140 8.140 8.613 -0.473 18356 9033 1 10 . 1 1 94 94 VAL N N 94 124.700 124.700 126.657 -1.957 18356 9034 1 10 . 1 1 94 94 VAL HA H 94 3.850 3.850 4.337 -0.487 18356 9035 1 10 . 1 1 94 94 VAL C C 94 177.400 177.400 176.323 1.077 18356 9036 1 10 . 1 1 94 94 VAL CA C 94 64.300 64.300 62.022 2.279 18356 9037 1 10 . 1 1 94 94 VAL CB C 94 31.900 31.900 33.945 -2.045 18356 9038 1 10 . 1 1 94 94 VAL H H 94 8.880 8.880 8.066 0.814 18356 9039 1 10 . 1 1 95 95 GLY N N 95 115.100 115.100 119.176 -4.076 18356 9040 1 10 . 1 1 95 95 GLY C C 95 174.100 174.100 173.413 0.687 18356 9041 1 10 . 1 1 95 95 GLY CA C 95 45.800 45.800 45.362 0.438 18356 9042 1 10 . 1 1 95 95 GLY H H 95 8.900 8.900 8.732 0.168 18356 9043 1 10 . 1 1 96 96 ALA N N 96 123.000 123.000 125.107 -2.107 18356 9044 1 10 . 1 1 96 96 ALA HA H 96 4.520 4.520 4.796 -0.276 18356 9045 1 10 . 1 1 96 96 ALA C C 96 177.500 177.500 176.501 0.999 18356 9046 1 10 . 1 1 96 96 ALA CA C 96 52.100 52.100 50.679 1.421 18356 9047 1 10 . 1 1 96 96 ALA CB C 96 20.300 20.300 21.090 -0.790 18356 9048 1 10 . 1 1 96 96 ALA H H 96 8.070 8.070 7.951 0.119 18356 9049 1 10 . 1 1 97 97 GLY N N 97 107.800 107.800 104.835 2.965 18356 9050 1 10 . 1 1 97 97 GLY C C 97 174.000 174.000 174.496 -0.496 18356 9051 1 10 . 1 1 97 97 GLY CA C 97 45.300 45.300 44.086 1.214 18356 9052 1 10 . 1 1 97 97 GLY H H 97 8.270 8.270 8.533 -0.263 18356 9053 1 10 . 1 1 98 98 THR N N 98 115.600 115.600 117.819 -2.219 18356 9054 1 10 . 1 1 98 98 THR HA H 98 4.720 4.720 4.485 0.235 18356 9055 1 10 . 1 1 98 98 THR C C 98 174.300 174.300 174.372 -0.072 18356 9056 1 10 . 1 1 98 98 THR CA C 98 61.900 61.900 63.714 -1.814 18356 9057 1 10 . 1 1 98 98 THR CB C 98 70.400 70.400 68.695 1.705 18356 9058 1 10 . 1 1 98 98 THR H H 98 8.330 8.330 8.223 0.107 18356 9059 1 10 . 1 1 99 99 SER N N 99 119.900 119.900 124.490 -4.590 18356 9060 1 10 . 1 1 99 99 SER HA H 99 4.660 4.660 4.601 0.059 18356 9061 1 10 . 1 1 99 99 SER C C 99 173.000 173.000 172.668 0.332 18356 9062 1 10 . 1 1 99 99 SER CA C 99 57.700 57.700 57.705 -0.005 18356 9063 1 10 . 1 1 99 99 SER CB C 99 65.300 65.300 64.517 0.783 18356 9064 1 10 . 1 1 99 99 SER H H 99 8.760 8.760 8.355 0.405 18356 9065 1 10 . 1 1 100 100 LYS N N 100 123.800 123.800 124.180 -0.380 18356 9066 1 10 . 1 1 100 100 LYS HA H 100 4.260 4.260 5.096 -0.836 18356 9067 1 10 . 1 1 100 100 LYS C C 100 175.600 175.600 175.155 0.445 18356 9068 1 10 . 1 1 100 100 LYS CA C 100 56.900 56.900 55.120 1.780 18356 9069 1 10 . 1 1 100 100 LYS CB C 100 33.000 33.000 34.882 -1.882 18356 9070 1 10 . 1 1 100 100 LYS H H 100 8.280 8.280 8.564 -0.284 18356 9071 1 10 . 1 1 101 101 MET N N 101 123.200 123.200 123.422 -0.222 18356 9072 1 10 . 1 1 101 101 MET HA H 101 4.510 4.510 4.742 -0.232 18356 9073 1 10 . 1 1 101 101 MET C C 101 172.700 172.700 173.589 -0.889 18356 9074 1 10 . 1 1 101 101 MET CA C 101 54.600 54.600 55.113 -0.513 18356 9075 1 10 . 1 1 101 101 MET CB C 101 35.900 35.900 36.872 -0.972 18356 9076 1 10 . 1 1 101 101 MET H H 101 8.910 8.910 8.443 0.467 18356 9077 1 10 . 1 1 102 102 ASP N N 102 119.000 119.000 119.558 -0.558 18356 9078 1 10 . 1 1 102 102 ASP HA H 102 5.690 5.690 4.984 0.706 18356 9079 1 10 . 1 1 102 102 ASP C C 102 175.600 175.600 175.266 0.334 18356 9080 1 10 . 1 1 102 102 ASP CA C 102 52.500 52.500 53.629 -1.129 18356 9081 1 10 . 1 1 102 102 ASP CB C 102 42.700 42.700 41.867 0.833 18356 9082 1 10 . 1 1 102 102 ASP H H 102 8.030 8.030 8.395 -0.365 18356 9083 1 10 . 1 1 103 103 LYS N N 103 122.100 122.100 120.377 1.723 18356 9084 1 10 . 1 1 103 103 LYS HA H 103 4.810 4.810 4.621 0.189 18356 9085 1 10 . 1 1 103 103 LYS C C 103 174.400 174.400 174.663 -0.263 18356 9086 1 10 . 1 1 103 103 LYS CA C 103 53.400 53.400 55.507 -2.107 18356 9087 1 10 . 1 1 103 103 LYS CB C 103 36.500 36.500 35.622 0.878 18356 9088 1 10 . 1 1 103 103 LYS H H 103 9.340 9.340 7.930 1.410 18356 9089 1 10 . 1 1 104 104 ILE N N 104 123.500 123.500 125.527 -2.027 18356 9090 1 10 . 1 1 104 104 ILE HA H 104 3.780 3.780 4.374 -0.594 18356 9091 1 10 . 1 1 104 104 ILE C C 104 175.900 175.900 174.380 1.520 18356 9092 1 10 . 1 1 104 104 ILE CA C 104 61.700 61.700 61.118 0.582 18356 9093 1 10 . 1 1 104 104 ILE CB C 104 37.700 37.700 39.346 -1.646 18356 9094 1 10 . 1 1 104 104 ILE H H 104 8.810 8.810 8.834 -0.024 18356 9095 1 10 . 1 1 105 105 ILE N N 105 119.200 119.200 124.065 -4.865 18356 9096 1 10 . 1 1 105 105 ILE HA H 105 5.310 5.310 4.816 0.494 18356 9097 1 10 . 1 1 105 105 ILE C C 105 174.200 174.200 173.442 0.758 18356 9098 1 10 . 1 1 105 105 ILE CA C 105 59.700 59.700 59.026 0.674 18356 9099 1 10 . 1 1 105 105 ILE CB C 105 39.800 39.800 41.205 -1.405 18356 9100 1 10 . 1 1 105 105 ILE H H 105 8.130 8.130 8.669 -0.539 18356 9101 1 10 . 1 1 106 106 PHE N N 106 125.800 125.800 124.020 1.780 18356 9102 1 10 . 1 1 106 106 PHE HA H 106 5.680 5.680 5.324 0.356 18356 9103 1 10 . 1 1 106 106 PHE C C 106 173.500 173.500 173.205 0.295 18356 9104 1 10 . 1 1 106 106 PHE CA C 106 56.000 56.000 55.737 0.263 18356 9105 1 10 . 1 1 106 106 PHE CB C 106 43.000 43.000 42.096 0.904 18356 9106 1 10 . 1 1 106 106 PHE H H 106 9.570 9.570 9.068 0.502 18356 9107 1 10 . 1 1 107 107 LEU N N 107 125.900 125.900 123.997 1.903 18356 9108 1 10 . 1 1 107 107 LEU HA H 107 5.300 5.300 4.352 0.948 18356 9109 1 10 . 1 1 107 107 LEU C C 107 174.600 174.600 174.958 -0.358 18356 9110 1 10 . 1 1 107 107 LEU CA C 107 53.300 53.300 52.164 1.136 18356 9111 1 10 . 1 1 107 107 LEU CB C 107 44.400 44.400 43.132 1.268 18356 9112 1 10 . 1 1 107 107 LEU H H 107 9.320 9.320 8.383 0.937 18356 9113 1 10 . 1 1 108 108 GLN N N 108 124.800 124.800 119.995 4.805 18356 9114 1 10 . 1 1 108 108 GLN HA H 108 4.670 4.670 4.506 0.164 18356 9115 1 10 . 1 1 108 108 GLN C C 108 173.900 173.900 174.854 -0.954 18356 9116 1 10 . 1 1 108 108 GLN CA C 108 55.500 55.500 54.847 0.653 18356 9117 1 10 . 1 1 108 108 GLN CB C 108 30.200 30.200 30.270 -0.070 18356 9118 1 10 . 1 1 108 108 GLN H H 108 8.620 8.620 8.021 0.599 18356 9119 1 10 . 1 1 109 109 ILE N N 109 128.400 128.400 124.716 3.684 18356 9120 1 10 . 1 1 109 109 ILE HA H 109 4.340 4.340 4.301 0.039 18356 9121 1 10 . 1 1 109 109 ILE C C 109 173.800 173.800 174.880 -1.080 18356 9122 1 10 . 1 1 109 109 ILE CA C 109 61.500 61.500 58.218 3.282 18356 9123 1 10 . 1 1 109 109 ILE CB C 109 37.600 37.600 37.328 0.272 18356 9124 1 10 . 1 1 109 109 ILE H H 109 8.550 8.550 8.317 0.233 18356 9125 1 10 . 1 1 110 110 CYS N N 110 125.800 125.800 127.046 -1.246 18356 9126 1 10 . 1 1 110 110 CYS HA H 110 5.340 5.340 4.513 0.827 18356 9127 1 10 . 1 1 110 110 CYS C C 110 171.200 171.200 172.321 -1.121 18356 9128 1 10 . 1 1 110 110 CYS CA C 110 54.400 54.400 55.883 -1.483 18356 9129 1 10 . 1 1 110 110 CYS CB C 110 29.400 29.400 30.322 -0.922 18356 9130 1 10 . 1 1 110 110 CYS H H 110 8.330 8.330 8.323 0.007 18356 9131 1 10 . 1 1 111 111 PRO HA H 111 4.470 4.470 4.408 0.062 18356 9132 1 10 . 1 1 111 111 PRO CA C 111 59.500 59.500 62.442 -2.942 18356 9133 1 10 . 1 1 112 112 ASP N N 112 120.600 120.600 122.497 -1.897 18356 9134 1 10 . 1 1 112 112 ASP HA H 112 4.260 4.260 4.350 -0.090 18356 9135 1 10 . 1 1 112 112 ASP C C 112 177.400 177.400 177.856 -0.456 18356 9136 1 10 . 1 1 112 112 ASP CA C 112 57.700 57.700 57.415 0.285 18356 9137 1 10 . 1 1 112 112 ASP CB C 112 41.300 41.300 40.844 0.456 18356 9138 1 10 . 1 1 112 112 ASP H H 112 8.390 8.390 8.845 -0.455 18356 9139 1 10 . 1 1 113 113 GLY N N 113 103.400 103.400 108.845 -5.445 18356 9140 1 10 . 1 1 113 113 GLY C C 113 174.500 174.500 172.918 1.582 18356 9141 1 10 . 1 1 113 113 GLY CA C 113 45.500 45.500 44.969 0.531 18356 9142 1 10 . 1 1 113 113 GLY H H 113 8.520 8.520 8.410 0.110 18356 9143 1 10 . 1 1 114 114 ALA N N 114 122.000 122.000 124.754 -2.754 18356 9144 1 10 . 1 1 114 114 ALA HA H 114 4.360 4.360 4.541 -0.181 18356 9145 1 10 . 1 1 114 114 ALA C C 114 176.200 176.200 175.924 0.276 18356 9146 1 10 . 1 1 114 114 ALA CA C 114 51.000 51.000 51.078 -0.078 18356 9147 1 10 . 1 1 114 114 ALA CB C 114 20.500 20.500 20.534 -0.034 18356 9148 1 10 . 1 1 114 114 ALA H H 114 7.560 7.560 7.925 -0.365 18356 9149 1 10 . 1 1 115 115 SER N N 115 115.900 115.900 116.577 -0.677 18356 9150 1 10 . 1 1 115 115 SER HA H 115 4.400 4.400 4.372 0.028 18356 9151 1 10 . 1 1 115 115 SER C C 115 175.600 175.600 176.191 -0.591 18356 9152 1 10 . 1 1 115 115 SER CA C 115 57.700 57.700 59.658 -1.958 18356 9153 1 10 . 1 1 115 115 SER CB C 115 64.400 64.400 63.199 1.201 18356 9154 1 10 . 1 1 115 115 SER H H 115 8.620 8.620 8.546 0.074 18356 9155 1 10 . 1 1 116 116 ILE N N 116 123.700 123.700 128.045 -4.345 18356 9156 1 10 . 1 1 116 116 ILE HA H 116 4.740 4.740 3.897 0.843 18356 9157 1 10 . 1 1 116 116 ILE C C 116 177.600 177.600 177.311 0.289 18356 9158 1 10 . 1 1 116 116 ILE CA C 116 61.900 61.900 64.517 -2.617 18356 9159 1 10 . 1 1 116 116 ILE CB C 116 37.800 37.800 38.318 -0.518 18356 9160 1 10 . 1 1 116 116 ILE H H 116 8.810 8.810 8.748 0.062 18356 9161 1 10 . 1 1 117 117 LYS N N 117 119.200 119.200 120.029 -0.829 18356 9162 1 10 . 1 1 117 117 LYS HA H 117 4.080 4.080 4.101 -0.021 18356 9163 1 10 . 1 1 117 117 LYS C C 117 179.400 179.400 178.104 1.296 18356 9164 1 10 . 1 1 117 117 LYS CA C 117 59.600 59.600 59.061 0.539 18356 9165 1 10 . 1 1 117 117 LYS CB C 117 32.700 32.700 30.947 1.753 18356 9166 1 10 . 1 1 117 117 LYS H H 117 8.140 8.140 8.587 -0.447 18356 9167 1 10 . 1 1 118 118 LYS N N 118 118.700 118.700 119.175 -0.475 18356 9168 1 10 . 1 1 118 118 LYS HA H 118 4.290 4.290 4.224 0.066 18356 9169 1 10 . 1 1 118 118 LYS C C 118 178.700 178.700 179.014 -0.314 18356 9170 1 10 . 1 1 118 118 LYS CA C 118 58.500 58.500 58.910 -0.410 18356 9171 1 10 . 1 1 118 118 LYS CB C 118 32.500 32.500 31.938 0.562 18356 9172 1 10 . 1 1 118 118 LYS H H 118 7.570 7.570 7.484 0.086 18356 9173 1 10 . 1 1 119 119 LYS N N 119 118.900 118.900 120.008 -1.108 18356 9174 1 10 . 1 1 119 119 LYS HA H 119 4.340 4.340 4.369 -0.029 18356 9175 1 10 . 1 1 119 119 LYS C C 119 179.600 179.600 178.495 1.105 18356 9176 1 10 . 1 1 119 119 LYS CA C 119 61.300 61.300 59.139 2.161 18356 9177 1 10 . 1 1 119 119 LYS CB C 119 32.300 32.300 32.272 0.028 18356 9178 1 10 . 1 1 119 119 LYS H H 119 8.450 8.450 7.914 0.536 18356 9179 1 10 . 1 1 120 120 MET N N 120 117.400 117.400 117.065 0.335 18356 9180 1 10 . 1 1 120 120 MET HA H 120 4.290 4.290 4.474 -0.184 18356 9181 1 10 . 1 1 120 120 MET C C 120 179.500 179.500 177.735 1.765 18356 9182 1 10 . 1 1 120 120 MET CA C 120 59.100 59.100 56.195 2.905 18356 9183 1 10 . 1 1 120 120 MET CB C 120 32.400 32.400 32.835 -0.435 18356 9184 1 10 . 1 1 120 120 MET H H 120 8.420 8.420 7.573 0.847 18356 9185 1 10 . 1 1 121 121 VAL N N 121 121.800 121.800 120.343 1.457 18356 9186 1 10 . 1 1 121 121 VAL HA H 121 3.980 3.980 3.754 0.226 18356 9187 1 10 . 1 1 121 121 VAL C C 121 179.200 179.200 178.447 0.753 18356 9188 1 10 . 1 1 121 121 VAL CA C 121 66.200 66.200 66.245 -0.045 18356 9189 1 10 . 1 1 121 121 VAL CB C 121 32.300 32.300 31.675 0.625 18356 9190 1 10 . 1 1 121 121 VAL H H 121 8.000 8.000 8.052 -0.052 18356 9191 1 10 . 1 1 122 122 TYR N N 122 121.300 121.300 119.415 1.885 18356 9192 1 10 . 1 1 122 122 TYR HA H 122 4.230 4.230 4.388 -0.158 18356 9193 1 10 . 1 1 122 122 TYR C C 122 180.700 180.700 176.479 4.221 18356 9194 1 10 . 1 1 122 122 TYR CA C 122 61.400 61.400 60.553 0.847 18356 9195 1 10 . 1 1 122 122 TYR CB C 122 38.300 38.300 37.617 0.683 18356 9196 1 10 . 1 1 122 122 TYR H H 122 8.610 8.610 8.401 0.209 18356 9197 1 10 . 1 1 123 123 ALA N N 123 124.000 124.000 123.651 0.349 18356 9198 1 10 . 1 1 123 123 ALA HA H 123 4.360 4.360 3.342 1.018 18356 9199 1 10 . 1 1 123 123 ALA C C 123 180.800 180.800 179.117 1.683 18356 9200 1 10 . 1 1 123 123 ALA CA C 123 55.800 55.800 54.795 1.005 18356 9201 1 10 . 1 1 123 123 ALA CB C 123 18.200 18.200 17.977 0.224 18356 9202 1 10 . 1 1 123 123 ALA H H 123 8.760 8.760 7.703 1.057 18356 9203 1 10 . 1 1 124 124 SER N N 124 113.200 113.200 113.107 0.093 18356 9204 1 10 . 1 1 124 124 SER HA H 124 4.340 4.340 4.298 0.042 18356 9205 1 10 . 1 1 124 124 SER C C 124 176.400 176.400 175.383 1.017 18356 9206 1 10 . 1 1 124 124 SER CA C 124 61.500 61.500 60.679 0.821 18356 9207 1 10 . 1 1 124 124 SER CB C 124 63.300 63.300 62.544 0.756 18356 9208 1 10 . 1 1 124 124 SER H H 124 8.500 8.500 8.011 0.489 18356 9209 1 10 . 1 1 125 125 SER N N 125 115.200 115.200 117.573 -2.373 18356 9210 1 10 . 1 1 125 125 SER HA H 125 4.460 4.460 4.501 -0.041 18356 9211 1 10 . 1 1 125 125 SER C C 125 173.100 173.100 175.190 -2.090 18356 9212 1 10 . 1 1 125 125 SER CA C 125 59.400 59.400 61.648 -2.248 18356 9213 1 10 . 1 1 125 125 SER CB C 125 63.400 63.400 63.724 -0.323 18356 9214 1 10 . 1 1 125 125 SER H H 125 7.480 7.480 7.245 0.235 18356 9215 1 10 . 1 1 126 126 ALA N N 126 122.600 122.600 124.474 -1.874 18356 9216 1 10 . 1 1 126 126 ALA HA H 126 3.780 3.780 4.096 -0.316 18356 9217 1 10 . 1 1 126 126 ALA C C 126 178.600 178.600 179.013 -0.413 18356 9218 1 10 . 1 1 126 126 ALA CA C 126 54.900 54.900 54.937 -0.037 18356 9219 1 10 . 1 1 126 126 ALA CB C 126 18.700 18.700 18.159 0.541 18356 9220 1 10 . 1 1 126 126 ALA H H 126 7.100 7.100 8.357 -1.257 18356 9221 1 10 . 1 1 127 127 ALA N N 127 118.800 118.800 120.244 -1.444 18356 9222 1 10 . 1 1 127 127 ALA HA H 127 3.860 3.860 3.886 -0.026 18356 9223 1 10 . 1 1 127 127 ALA C C 127 179.700 179.700 178.559 1.141 18356 9224 1 10 . 1 1 127 127 ALA CA C 127 55.200 55.200 55.198 0.002 18356 9225 1 10 . 1 1 127 127 ALA CB C 127 17.700 17.700 18.244 -0.543 18356 9226 1 10 . 1 1 127 127 ALA H H 127 8.480 8.480 8.318 0.162 18356 9227 1 10 . 1 1 128 128 ALA N N 128 120.700 120.700 119.953 0.747 18356 9228 1 10 . 1 1 128 128 ALA HA H 128 3.990 3.990 3.982 0.008 18356 9229 1 10 . 1 1 128 128 ALA C C 128 180.600 180.600 178.889 1.711 18356 9230 1 10 . 1 1 128 128 ALA CA C 128 55.100 55.100 54.604 0.496 18356 9231 1 10 . 1 1 128 128 ALA CB C 128 17.900 17.900 18.410 -0.510 18356 9232 1 10 . 1 1 128 128 ALA H H 128 7.800 7.800 7.836 -0.036 18356 9233 1 10 . 1 1 129 129 ILE N N 129 114.900 114.900 119.368 -4.468 18356 9234 1 10 . 1 1 129 129 ILE HA H 129 3.780 3.780 3.626 0.154 18356 9235 1 10 . 1 1 129 129 ILE C C 129 176.100 176.100 176.774 -0.674 18356 9236 1 10 . 1 1 129 129 ILE CA C 129 63.300 63.300 63.930 -0.630 18356 9237 1 10 . 1 1 129 129 ILE CB C 129 37.200 37.200 38.050 -0.850 18356 9238 1 10 . 1 1 129 129 ILE H H 129 7.180 7.180 7.854 -0.674 18356 9239 1 10 . 1 1 130 130 LYS N N 130 122.400 122.400 118.616 3.784 18356 9240 1 10 . 1 1 130 130 LYS HA H 130 3.870 3.870 3.627 0.243 18356 9241 1 10 . 1 1 130 130 LYS C C 130 178.400 178.400 178.476 -0.076 18356 9242 1 10 . 1 1 130 130 LYS CA C 130 61.100 61.100 59.446 1.654 18356 9243 1 10 . 1 1 130 130 LYS CB C 130 31.500 31.500 31.654 -0.154 18356 9244 1 10 . 1 1 130 130 LYS H H 130 7.870 7.870 8.218 -0.348 18356 9245 1 10 . 1 1 131 131 THR N N 131 113.000 113.000 116.014 -3.014 18356 9246 1 10 . 1 1 131 131 THR HA H 131 3.870 3.870 3.974 -0.104 18356 9247 1 10 . 1 1 131 131 THR C C 131 176.300 176.300 176.800 -0.500 18356 9248 1 10 . 1 1 131 131 THR CA C 131 65.900 65.900 65.385 0.515 18356 9249 1 10 . 1 1 131 131 THR CB C 131 68.700 68.700 68.346 0.354 18356 9250 1 10 . 1 1 131 131 THR H H 131 8.000 8.000 7.652 0.348 18356 9251 1 10 . 1 1 132 132 SER N N 132 117.300 117.300 117.371 -0.071 18356 9252 1 10 . 1 1 132 132 SER HA H 132 4.100 4.100 4.236 -0.136 18356 9253 1 10 . 1 1 132 132 SER C C 132 174.900 174.900 175.754 -0.854 18356 9254 1 10 . 1 1 132 132 SER CA C 132 61.900 61.900 61.379 0.521 18356 9255 1 10 . 1 1 132 132 SER CB C 132 63.300 63.300 63.252 0.048 18356 9256 1 10 . 1 1 132 132 SER H H 132 7.290 7.290 7.466 -0.176 18356 9257 1 10 . 1 1 133 133 LEU N N 133 118.100 118.100 114.656 3.444 18356 9258 1 10 . 1 1 133 133 LEU HA H 133 3.700 3.700 4.436 -0.736 18356 9259 1 10 . 1 1 133 133 LEU C C 133 176.600 176.600 175.938 0.662 18356 9260 1 10 . 1 1 133 133 LEU CA C 133 56.300 56.300 55.109 1.191 18356 9261 1 10 . 1 1 133 133 LEU CB C 133 40.400 40.400 42.517 -2.117 18356 9262 1 10 . 1 1 133 133 LEU H H 133 7.330 7.330 7.093 0.237 18356 9263 1 10 . 1 1 134 134 GLY N N 134 105.600 105.600 105.395 0.205 18356 9264 1 10 . 1 1 134 134 GLY C C 134 174.800 174.800 174.351 0.449 18356 9265 1 10 . 1 1 134 134 GLY CA C 134 45.300 45.300 45.323 -0.023 18356 9266 1 10 . 1 1 134 134 GLY H H 134 7.420 7.420 7.792 -0.372 18356 9267 1 10 . 1 1 135 135 THR N N 135 116.600 116.600 116.624 -0.024 18356 9268 1 10 . 1 1 135 135 THR HA H 135 3.870 3.870 4.014 -0.144 18356 9269 1 10 . 1 1 135 135 THR C C 135 176.000 176.000 175.273 0.727 18356 9270 1 10 . 1 1 135 135 THR CA C 135 63.900 63.900 65.752 -1.852 18356 9271 1 10 . 1 1 135 135 THR CB C 135 68.600 68.600 69.139 -0.539 18356 9272 1 10 . 1 1 135 135 THR H H 135 8.450 8.450 8.234 0.216 18356 9273 1 10 . 1 1 136 136 GLY N N 136 109.300 109.300 106.259 3.041 18356 9274 1 10 . 1 1 136 136 GLY C C 136 175.000 175.000 173.825 1.175 18356 9275 1 10 . 1 1 136 136 GLY CA C 136 45.700 45.700 45.478 0.222 18356 9276 1 10 . 1 1 136 136 GLY H H 136 8.720 8.720 8.466 0.254 18356 9277 1 10 . 1 1 137 137 LYS N N 137 118.500 118.500 118.529 -0.029 18356 9278 1 10 . 1 1 137 137 LYS HA H 137 4.500 4.500 4.358 0.142 18356 9279 1 10 . 1 1 137 137 LYS C C 137 176.200 176.200 176.004 0.196 18356 9280 1 10 . 1 1 137 137 LYS CA C 137 56.300 56.300 56.076 0.224 18356 9281 1 10 . 1 1 137 137 LYS CB C 137 34.100 34.100 32.205 1.895 18356 9282 1 10 . 1 1 137 137 LYS H H 137 8.110 8.110 8.175 -0.065 18356 9283 1 10 . 1 1 138 138 ILE N N 138 111.400 111.400 113.693 -2.293 18356 9284 1 10 . 1 1 138 138 ILE HA H 138 5.050 5.050 4.663 0.387 18356 9285 1 10 . 1 1 138 138 ILE C C 138 174.700 174.700 174.396 0.304 18356 9286 1 10 . 1 1 138 138 ILE CA C 138 59.500 59.500 58.578 0.922 18356 9287 1 10 . 1 1 138 138 ILE CB C 138 41.600 41.600 41.358 0.242 18356 9288 1 10 . 1 1 138 138 ILE H H 138 7.270 7.270 7.145 0.125 18356 9289 1 10 . 1 1 139 139 LEU N N 139 124.600 124.600 124.724 -0.124 18356 9290 1 10 . 1 1 139 139 LEU HA H 139 4.690 4.690 4.832 -0.142 18356 9291 1 10 . 1 1 139 139 LEU C C 139 175.600 175.600 175.038 0.562 18356 9292 1 10 . 1 1 139 139 LEU CA C 139 54.200 54.200 53.664 0.536 18356 9293 1 10 . 1 1 139 139 LEU CB C 139 43.800 43.800 43.788 0.012 18356 9294 1 10 . 1 1 139 139 LEU H H 139 8.450 8.450 8.263 0.187 18356 9295 1 10 . 1 1 140 140 GLN N N 140 123.500 123.500 123.595 -0.095 18356 9296 1 10 . 1 1 140 140 GLN HA H 140 5.350 5.350 5.660 -0.310 18356 9297 1 10 . 1 1 140 140 GLN C C 140 174.900 174.900 175.060 -0.160 18356 9298 1 10 . 1 1 140 140 GLN CA C 140 55.800 55.800 53.568 2.232 18356 9299 1 10 . 1 1 140 140 GLN CB C 140 30.900 30.900 31.384 -0.484 18356 9300 1 10 . 1 1 140 140 GLN H H 140 8.590 8.590 8.608 -0.018 18356 9301 1 10 . 1 1 141 141 PHE N N 141 120.500 120.500 117.374 3.126 18356 9302 1 10 . 1 1 141 141 PHE HA H 141 4.870 4.870 4.785 0.085 18356 9303 1 10 . 1 1 141 141 PHE C C 141 174.700 174.700 173.447 1.253 18356 9304 1 10 . 1 1 141 141 PHE CA C 141 57.300 57.300 56.503 0.797 18356 9305 1 10 . 1 1 141 141 PHE CB C 141 42.800 42.800 40.943 1.857 18356 9306 1 10 . 1 1 141 141 PHE H H 141 9.280 9.280 8.105 1.175 18356 9307 1 10 . 1 1 142 142 GLN N N 142 123.700 123.700 125.974 -2.274 18356 9308 1 10 . 1 1 142 142 GLN HA H 142 4.880 4.880 4.754 0.126 18356 9309 1 10 . 1 1 142 142 GLN C C 142 174.900 174.900 175.433 -0.533 18356 9310 1 10 . 1 1 142 142 GLN CA C 142 55.500 55.500 55.065 0.435 18356 9311 1 10 . 1 1 142 142 GLN CB C 142 30.200 30.200 29.600 0.600 18356 9312 1 10 . 1 1 142 142 GLN H H 142 9.080 9.080 8.574 0.506 18356 9313 1 10 . 1 1 143 143 VAL N N 143 120.900 120.900 123.778 -2.878 18356 9314 1 10 . 1 1 143 143 VAL HA H 143 4.600 4.600 4.669 -0.069 18356 9315 1 10 . 1 1 143 143 VAL C C 143 174.800 174.800 174.729 0.071 18356 9316 1 10 . 1 1 143 143 VAL CA C 143 60.900 60.900 60.418 0.482 18356 9317 1 10 . 1 1 143 143 VAL CB C 143 35.700 35.700 33.947 1.753 18356 9318 1 10 . 1 1 143 143 VAL H H 143 8.560 8.560 8.135 0.425 18356 9319 1 10 . 1 1 144 144 SER N N 144 120.500 120.500 119.239 1.261 18356 9320 1 10 . 1 1 144 144 SER HA H 144 4.740 4.740 4.728 0.012 18356 9321 1 10 . 1 1 144 144 SER C C 144 173.200 173.200 173.603 -0.403 18356 9322 1 10 . 1 1 144 144 SER CA C 144 58.200 58.200 56.432 1.768 18356 9323 1 10 . 1 1 144 144 SER CB C 144 65.600 65.600 63.599 2.001 18356 9324 1 10 . 1 1 144 144 SER H H 144 9.640 9.640 8.662 0.978 18356 9325 1 10 . 1 1 145 145 ASP N N 145 118.600 118.600 122.846 -4.246 18356 9326 1 10 . 1 1 145 145 ASP HA H 145 4.700 4.700 4.810 -0.110 18356 9327 1 10 . 1 1 145 145 ASP C C 145 175.500 175.500 175.382 0.118 18356 9328 1 10 . 1 1 145 145 ASP CA C 145 53.300 53.300 52.606 0.694 18356 9329 1 10 . 1 1 145 145 ASP CB C 145 44.100 44.100 44.279 -0.180 18356 9330 1 10 . 1 1 145 145 ASP H H 145 7.760 7.760 8.699 -0.939 18356 9331 1 10 . 1 1 146 146 GLU N N 146 119.900 119.900 119.283 0.617 18356 9332 1 10 . 1 1 146 146 GLU HA H 146 3.780 3.780 4.193 -0.413 18356 9333 1 10 . 1 1 146 146 GLU C C 146 177.800 177.800 177.244 0.556 18356 9334 1 10 . 1 1 146 146 GLU CA C 146 59.700 59.700 58.699 1.001 18356 9335 1 10 . 1 1 146 146 GLU CB C 146 29.800 29.800 29.825 -0.025 18356 9336 1 10 . 1 1 146 146 GLU H H 146 8.950 8.950 8.679 0.271 18356 9337 1 10 . 1 1 147 147 SER N N 147 116.700 116.700 114.868 1.832 18356 9338 1 10 . 1 1 147 147 SER HA H 147 4.190 4.190 4.415 -0.225 18356 9339 1 10 . 1 1 147 147 SER C C 147 176.600 176.600 175.857 0.743 18356 9340 1 10 . 1 1 147 147 SER CA C 147 61.500 61.500 59.852 1.649 18356 9341 1 10 . 1 1 147 147 SER CB C 147 60.100 60.100 63.266 -3.166 18356 9342 1 10 . 1 1 147 147 SER H H 147 8.660 8.660 8.152 0.508 18356 9343 1 10 . 1 1 148 148 GLU N N 148 120.300 120.300 120.688 -0.388 18356 9344 1 10 . 1 1 148 148 GLU HA H 148 4.160 4.160 4.055 0.105 18356 9345 1 10 . 1 1 148 148 GLU C C 148 176.200 176.200 176.737 -0.537 18356 9346 1 10 . 1 1 148 148 GLU CA C 148 57.600 57.600 58.876 -1.276 18356 9347 1 10 . 1 1 148 148 GLU CB C 148 30.900 30.900 28.650 2.250 18356 9348 1 10 . 1 1 148 148 GLU H H 148 7.940 7.940 8.646 -0.706 18356 9349 1 10 . 1 1 149 149 MET N N 149 116.000 116.000 116.649 -0.649 18356 9350 1 10 . 1 1 149 149 MET HA H 149 4.530 4.530 4.393 0.137 18356 9351 1 10 . 1 1 149 149 MET C C 149 173.000 173.000 176.621 -3.621 18356 9352 1 10 . 1 1 149 149 MET CA C 149 53.400 53.400 55.497 -2.097 18356 9353 1 10 . 1 1 149 149 MET CB C 149 32.900 32.900 31.619 1.281 18356 9354 1 10 . 1 1 149 149 MET H H 149 7.500 7.500 7.991 -0.491 18356 9355 1 10 . 1 1 150 150 SER N N 150 112.400 112.400 113.653 -1.253 18356 9356 1 10 . 1 1 150 150 SER HA H 150 4.710 4.710 4.410 0.300 18356 9357 1 10 . 1 1 150 150 SER C C 150 174.100 174.100 175.260 -1.160 18356 9358 1 10 . 1 1 150 150 SER CA C 150 56.900 56.900 55.762 1.138 18356 9359 1 10 . 1 1 150 150 SER CB C 150 65.300 65.300 64.839 0.461 18356 9360 1 10 . 1 1 150 150 SER H H 150 7.100 7.100 8.070 -0.970 18356 9361 1 10 . 1 1 151 151 HIS N N 151 125.700 125.700 120.928 4.772 18356 9362 1 10 . 1 1 151 151 HIS HA H 151 4.670 4.670 3.913 0.757 18356 9363 1 10 . 1 1 151 151 HIS C C 151 175.900 175.900 176.659 -0.759 18356 9364 1 10 . 1 1 151 151 HIS CA C 151 62.300 62.300 58.625 3.675 18356 9365 1 10 . 1 1 151 151 HIS CB C 151 31.900 31.900 28.647 3.253 18356 9366 1 10 . 1 1 151 151 HIS H H 151 9.510 9.510 8.338 1.172 18356 9367 1 10 . 1 1 152 152 LYS N N 152 115.700 115.700 120.400 -4.700 18356 9368 1 10 . 1 1 152 152 LYS HA H 152 3.690 3.690 3.869 -0.179 18356 9369 1 10 . 1 1 152 152 LYS C C 152 178.700 178.700 178.898 -0.198 18356 9370 1 10 . 1 1 152 152 LYS CA C 152 59.200 59.200 59.263 -0.063 18356 9371 1 10 . 1 1 152 152 LYS CB C 152 32.700 32.700 31.637 1.062 18356 9372 1 10 . 1 1 152 152 LYS H H 152 8.380 8.380 7.420 0.960 18356 9373 1 10 . 1 1 153 153 GLU N N 153 117.400 117.400 119.155 -1.755 18356 9374 1 10 . 1 1 153 153 GLU HA H 153 4.070 4.070 4.182 -0.112 18356 9375 1 10 . 1 1 153 153 GLU C C 153 179.100 179.100 178.604 0.496 18356 9376 1 10 . 1 1 153 153 GLU CA C 153 58.500 58.500 57.564 0.936 18356 9377 1 10 . 1 1 153 153 GLU CB C 153 29.300 29.300 29.653 -0.353 18356 9378 1 10 . 1 1 153 153 GLU H H 153 7.360 7.360 7.926 -0.566 18356 9379 1 10 . 1 1 154 154 LEU N N 154 121.200 121.200 122.114 -0.914 18356 9380 1 10 . 1 1 154 154 LEU HA H 154 3.530 3.530 3.918 -0.388 18356 9381 1 10 . 1 1 154 154 LEU C C 154 178.300 178.300 177.417 0.883 18356 9382 1 10 . 1 1 154 154 LEU CA C 154 57.300 57.300 58.251 -0.951 18356 9383 1 10 . 1 1 154 154 LEU CB C 154 40.500 40.500 41.742 -1.242 18356 9384 1 10 . 1 1 154 154 LEU H H 154 7.730 7.730 7.468 0.262 18356 9385 1 10 . 1 1 155 155 LEU N N 155 118.500 118.500 115.497 3.003 18356 9386 1 10 . 1 1 155 155 LEU HA H 155 3.410 3.410 4.344 -0.934 18356 9387 1 10 . 1 1 155 155 LEU C C 155 179.900 179.900 178.500 1.400 18356 9388 1 10 . 1 1 155 155 LEU CA C 155 57.600 57.600 57.873 -0.273 18356 9389 1 10 . 1 1 155 155 LEU CB C 155 41.200 41.200 40.971 0.229 18356 9390 1 10 . 1 1 155 155 LEU H H 155 8.350 8.350 7.790 0.560 18356 9391 1 10 . 1 1 156 156 ASN N N 156 117.900 117.900 118.980 -1.080 18356 9392 1 10 . 1 1 156 156 ASN HA H 156 4.360 4.360 4.305 0.055 18356 9393 1 10 . 1 1 156 156 ASN C C 156 178.000 178.000 177.227 0.773 18356 9394 1 10 . 1 1 156 156 ASN CA C 156 56.300 56.300 57.051 -0.751 18356 9395 1 10 . 1 1 156 156 ASN CB C 156 38.400 38.400 38.594 -0.194 18356 9396 1 10 . 1 1 156 156 ASN H H 156 7.750 7.750 7.587 0.163 18356 9397 1 10 . 1 1 157 157 LYS N N 157 119.800 119.800 119.625 0.175 18356 9398 1 10 . 1 1 157 157 LYS HA H 157 4.080 4.080 3.911 0.169 18356 9399 1 10 . 1 1 157 157 LYS C C 157 179.800 179.800 178.662 1.138 18356 9400 1 10 . 1 1 157 157 LYS CA C 157 59.100 59.100 58.975 0.125 18356 9401 1 10 . 1 1 157 157 LYS CB C 157 32.500 32.500 31.449 1.051 18356 9402 1 10 . 1 1 157 157 LYS H H 157 7.770 7.770 8.111 -0.341 18356 9403 1 10 . 1 1 158 158 LEU N N 158 120.900 120.900 120.736 0.164 18356 9404 1 10 . 1 1 158 158 LEU HA H 158 3.950 3.950 4.066 -0.116 18356 9405 1 10 . 1 1 158 158 LEU C C 158 179.000 179.000 178.325 0.675 18356 9406 1 10 . 1 1 158 158 LEU CA C 158 57.800 57.800 56.784 1.016 18356 9407 1 10 . 1 1 158 158 LEU CB C 158 41.200 41.200 41.626 -0.426 18356 9408 1 10 . 1 1 158 158 LEU H H 158 8.200 8.200 7.147 1.053 18356 9409 1 10 . 1 1 159 159 GLY N N 159 106.500 106.500 105.937 0.563 18356 9410 1 10 . 1 1 159 159 GLY C C 159 176.300 176.300 175.609 0.691 18356 9411 1 10 . 1 1 159 159 GLY CA C 159 46.900 46.900 46.570 0.330 18356 9412 1 10 . 1 1 159 159 GLY H H 159 8.290 8.290 7.741 0.549 18356 9413 1 10 . 1 1 160 160 GLU N N 160 120.700 120.700 121.015 -0.315 18356 9414 1 10 . 1 1 160 160 GLU HA H 160 4.070 4.070 4.072 -0.002 18356 9415 1 10 . 1 1 160 160 GLU C C 160 177.800 177.800 177.973 -0.173 18356 9416 1 10 . 1 1 160 160 GLU CA C 160 58.300 58.300 58.934 -0.634 18356 9417 1 10 . 1 1 160 160 GLU CB C 160 30.000 30.000 29.822 0.178 18356 9418 1 10 . 1 1 160 160 GLU H H 160 7.850 7.850 8.529 -0.679 18356 9419 1 10 . 1 1 161 161 LYS N N 161 118.100 118.100 116.060 2.040 18356 9420 1 10 . 1 1 161 161 LYS HA H 161 4.070 4.070 4.138 -0.068 18356 9421 1 10 . 1 1 161 161 LYS C C 161 177.600 177.600 178.332 -0.732 18356 9422 1 10 . 1 1 161 161 LYS CA C 161 57.800 57.800 56.673 1.127 18356 9423 1 10 . 1 1 161 161 LYS CB C 161 33.200 33.200 32.117 1.083 18356 9424 1 10 . 1 1 161 161 LYS H H 161 7.660 7.660 7.610 0.050 18356 9425 1 10 . 1 1 162 162 TYR N N 162 115.400 115.400 119.197 -3.797 18356 9426 1 10 . 1 1 162 162 TYR HA H 162 4.750 4.750 4.259 0.491 18356 9427 1 10 . 1 1 162 162 TYR C C 162 176.000 176.000 176.303 -0.303 18356 9428 1 10 . 1 1 162 162 TYR CA C 162 59.000 59.000 59.658 -0.658 18356 9429 1 10 . 1 1 162 162 TYR CB C 162 39.800 39.800 39.857 -0.057 18356 9430 1 10 . 1 1 162 162 TYR H H 162 8.090 8.090 7.472 0.618 18356 9431 1 10 . 1 1 163 163 GLY N N 163 109.000 109.000 104.437 4.563 18356 9432 1 10 . 1 1 163 163 GLY C C 163 173.500 173.500 174.513 -1.013 18356 9433 1 10 . 1 1 163 163 GLY CA C 163 45.500 45.500 44.640 0.860 18356 9434 1 10 . 1 1 163 163 GLY H H 163 8.090 8.090 7.838 0.252 18356 9435 1 10 . 1 1 164 164 ASP N N 164 120.100 120.100 120.004 0.096 18356 9436 1 10 . 1 1 164 164 ASP HA H 164 4.640 4.640 4.428 0.212 18356 9437 1 10 . 1 1 164 164 ASP C C 164 175.300 175.300 174.778 0.522 18356 9438 1 10 . 1 1 164 164 ASP CA C 164 54.600 54.600 57.092 -2.492 18356 9439 1 10 . 1 1 164 164 ASP CB C 164 41.700 41.700 40.694 1.006 18356 9440 1 10 . 1 1 164 164 ASP H H 164 8.320 8.320 8.755 -0.435 18356 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 160 3.365 0.677 3.307 18356 2 1 1 "Average Difference" HA 174 0.381 0.038 0.380 18356 3 1 1 "Average Difference" C 159 1.275 -0.021 1.279 18356 4 1 1 "Average Difference" CA 163 1.348 -0.259 1.327 18356 5 1 1 "Average Difference" CB 150 1.484 -0.300 1.458 18356 6 1 1 "Average Difference" HN 160 0.585 -0.183 0.558 18356 7 1 2 "Average Difference" N 160 3.445 0.723 3.379 18356 8 1 2 "Average Difference" HA 174 0.389 0.021 0.389 18356 9 1 2 "Average Difference" C 159 1.358 0.033 1.362 18356 10 1 2 "Average Difference" CA 163 1.385 -0.218 1.372 18356 11 1 2 "Average Difference" CB 150 1.529 -0.299 1.505 18356 12 1 2 "Average Difference" HN 160 0.584 -0.190 0.555 18356 13 1 3 "Average Difference" N 160 3.516 0.777 3.440 18356 14 1 3 "Average Difference" HA 174 0.399 0.032 0.399 18356 15 1 3 "Average Difference" C 159 1.299 0.038 1.303 18356 16 1 3 "Average Difference" CA 163 1.328 -0.198 1.318 18356 17 1 3 "Average Difference" CB 150 1.578 -0.390 1.534 18356 18 1 3 "Average Difference" HN 160 0.572 -0.194 0.540 18356 19 1 4 "Average Difference" N 160 3.454 0.834 3.363 18356 20 1 4 "Average Difference" HA 174 0.373 0.031 0.373 18356 21 1 4 "Average Difference" C 159 1.353 -0.017 1.357 18356 22 1 4 "Average Difference" CA 163 1.286 -0.220 1.271 18356 23 1 4 "Average Difference" CB 150 1.451 -0.293 1.426 18356 24 1 4 "Average Difference" HN 160 0.580 -0.147 0.563 18356 25 1 5 "Average Difference" N 160 3.359 0.627 3.311 18356 26 1 5 "Average Difference" HA 174 0.373 0.038 0.372 18356 27 1 5 "Average Difference" C 159 1.353 -0.002 1.358 18356 28 1 5 "Average Difference" CA 163 1.284 -0.209 1.271 18356 29 1 5 "Average Difference" CB 150 1.443 -0.286 1.419 18356 30 1 5 "Average Difference" HN 160 0.619 -0.206 0.586 18356 31 1 6 "Average Difference" N 160 3.459 0.572 3.422 18356 32 1 6 "Average Difference" HA 174 0.386 -0.006 0.387 18356 33 1 6 "Average Difference" C 159 1.316 0.040 1.319 18356 34 1 6 "Average Difference" CA 163 1.351 -0.277 1.326 18356 35 1 6 "Average Difference" CB 150 1.532 -0.402 1.483 18356 36 1 6 "Average Difference" HN 160 0.638 -0.227 0.598 18356 37 1 7 "Average Difference" N 160 3.484 0.811 3.399 18356 38 1 7 "Average Difference" HA 174 0.380 0.031 0.380 18356 39 1 7 "Average Difference" C 159 1.295 0.005 1.299 18356 40 1 7 "Average Difference" CA 163 1.331 -0.271 1.307 18356 41 1 7 "Average Difference" CB 150 1.462 -0.407 1.408 18356 42 1 7 "Average Difference" HN 160 0.614 -0.218 0.576 18356 43 1 8 "Average Difference" N 160 3.763 0.750 3.700 18356 44 1 8 "Average Difference" HA 174 0.363 0.041 0.362 18356 45 1 8 "Average Difference" C 159 1.307 0.005 1.311 18356 46 1 8 "Average Difference" CA 163 1.350 -0.254 1.330 18356 47 1 8 "Average Difference" CB 150 1.469 -0.254 1.452 18356 48 1 8 "Average Difference" HN 160 0.586 -0.189 0.557 18356 49 1 9 "Average Difference" N 160 3.638 0.743 3.572 18356 50 1 9 "Average Difference" HA 174 0.396 0.026 0.396 18356 51 1 9 "Average Difference" C 159 1.273 -0.041 1.276 18356 52 1 9 "Average Difference" CA 163 1.371 -0.190 1.362 18356 53 1 9 "Average Difference" CB 150 1.526 -0.313 1.498 18356 54 1 9 "Average Difference" HN 160 0.600 -0.193 0.570 18356 55 1 10 "Average Difference" N 160 3.457 0.645 3.407 18356 56 1 10 "Average Difference" HA 174 0.392 0.039 0.392 18356 57 1 10 "Average Difference" C 159 1.332 -0.035 1.336 18356 58 1 10 "Average Difference" CA 163 1.412 -0.247 1.394 18356 59 1 10 "Average Difference" CB 150 1.475 -0.273 1.455 18356 60 1 10 "Average Difference" HN 160 0.611 -0.153 0.593 18356 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 18356 _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 2 2 SER N N 2 115.100 115.100 118.905 -3.804 18356 2 1 . 1 1 2 2 SER HA H 2 4.820 4.820 4.445 0.375 18356 3 1 . 1 1 2 2 SER CA C 2 62.300 62.300 60.207 2.093 18356 4 1 . 1 1 2 2 SER CB C 2 67.300 67.300 63.958 3.342 18356 5 1 . 1 1 2 2 SER H H 2 8.350 8.350 8.796 -0.446 18356 6 1 . 1 1 3 3 SER HA H 3 3.860 3.860 4.605 -0.745 18356 7 1 . 1 1 3 3 SER CA C 3 55.800 55.800 58.327 -2.527 18356 8 1 . 1 1 3 3 SER CB C 3 61.300 61.300 63.570 -2.270 18356 9 1 . 1 1 4 4 GLY N N 4 110.700 110.700 109.408 1.291 18356 10 1 . 1 1 4 4 GLY C C 4 173.400 173.400 174.337 -0.937 18356 11 1 . 1 1 4 4 GLY CA C 4 45.100 45.100 45.391 -0.291 18356 12 1 . 1 1 4 4 GLY H H 4 8.320 8.320 8.130 0.190 18356 13 1 . 1 1 5 5 VAL N N 5 119.400 119.400 119.909 -0.509 18356 14 1 . 1 1 5 5 VAL HA H 5 4.200 4.200 4.027 0.173 18356 15 1 . 1 1 5 5 VAL C C 5 175.300 175.300 175.694 -0.394 18356 16 1 . 1 1 5 5 VAL CA C 5 61.700 61.700 63.082 -1.382 18356 17 1 . 1 1 5 5 VAL CB C 5 33.100 33.100 32.419 0.681 18356 18 1 . 1 1 5 5 VAL H H 5 7.810 7.810 7.637 0.173 18356 19 1 . 1 1 6 6 MET N N 6 124.000 124.000 128.706 -4.706 18356 20 1 . 1 1 6 6 MET HA H 6 4.650 4.650 4.713 -0.063 18356 21 1 . 1 1 6 6 MET C C 6 174.800 174.800 174.948 -0.148 18356 22 1 . 1 1 6 6 MET CA C 6 54.200 54.200 54.648 -0.448 18356 23 1 . 1 1 6 6 MET CB C 6 36.000 36.000 34.601 1.399 18356 24 1 . 1 1 6 6 MET H H 6 8.180 8.180 8.816 -0.636 18356 25 1 . 1 1 7 7 VAL N N 7 122.400 122.400 120.709 1.691 18356 26 1 . 1 1 7 7 VAL HA H 7 4.090 4.090 4.267 -0.177 18356 27 1 . 1 1 7 7 VAL C C 7 175.500 175.500 174.953 0.547 18356 28 1 . 1 1 7 7 VAL CA C 7 62.300 62.300 60.823 1.477 18356 29 1 . 1 1 7 7 VAL CB C 7 32.500 32.500 32.493 0.007 18356 30 1 . 1 1 7 7 VAL H H 7 8.790 8.790 8.295 0.495 18356 31 1 . 1 1 8 8 ASP N N 8 131.400 131.400 128.256 3.144 18356 32 1 . 1 1 8 8 ASP HA H 8 4.710 4.710 4.834 -0.124 18356 33 1 . 1 1 8 8 ASP C C 8 175.800 175.800 176.407 -0.607 18356 34 1 . 1 1 8 8 ASP CA C 8 53.900 53.900 52.200 1.700 18356 35 1 . 1 1 8 8 ASP CB C 8 44.800 44.800 42.261 2.539 18356 36 1 . 1 1 8 8 ASP H H 8 8.800 8.800 8.526 0.274 18356 37 1 . 1 1 9 9 PRO HA H 9 4.480 4.480 4.260 0.220 18356 38 1 . 1 1 9 9 PRO CA C 9 63.000 63.000 64.576 -1.576 18356 39 1 . 1 1 10 10 ASP N N 10 116.700 116.700 118.791 -2.091 18356 40 1 . 1 1 10 10 ASP HA H 10 4.780 4.780 4.460 0.321 18356 41 1 . 1 1 10 10 ASP C C 10 179.100 179.100 178.407 0.693 18356 42 1 . 1 1 10 10 ASP CA C 10 56.200 56.200 56.868 -0.668 18356 43 1 . 1 1 10 10 ASP CB C 10 40.700 40.700 40.815 -0.115 18356 44 1 . 1 1 10 10 ASP H H 10 9.060 9.060 8.425 0.635 18356 45 1 . 1 1 11 11 VAL N N 11 122.600 122.600 119.767 2.833 18356 46 1 . 1 1 11 11 VAL HA H 11 3.630 3.630 3.644 -0.014 18356 47 1 . 1 1 11 11 VAL C C 11 176.900 176.900 178.009 -1.109 18356 48 1 . 1 1 11 11 VAL CA C 11 67.400 67.400 66.571 0.829 18356 49 1 . 1 1 11 11 VAL CB C 11 31.100 31.100 31.585 -0.485 18356 50 1 . 1 1 11 11 VAL H H 11 8.510 8.510 7.751 0.759 18356 51 1 . 1 1 12 12 GLN N N 12 117.400 117.400 117.689 -0.289 18356 52 1 . 1 1 12 12 GLN HA H 12 4.030 4.030 4.125 -0.095 18356 53 1 . 1 1 12 12 GLN C C 12 178.800 178.800 178.633 0.167 18356 54 1 . 1 1 12 12 GLN CA C 12 59.800 59.800 58.959 0.841 18356 55 1 . 1 1 12 12 GLN CB C 12 29.000 29.000 28.627 0.374 18356 56 1 . 1 1 12 12 GLN H H 12 7.740 7.740 7.844 -0.104 18356 57 1 . 1 1 13 13 THR N N 13 113.600 113.600 115.623 -2.023 18356 58 1 . 1 1 13 13 THR HA H 13 4.020 4.020 4.025 -0.005 18356 59 1 . 1 1 13 13 THR C C 13 177.600 177.600 176.858 0.742 18356 60 1 . 1 1 13 13 THR CA C 13 66.100 66.100 66.379 -0.279 18356 61 1 . 1 1 13 13 THR CB C 13 68.400 68.400 68.563 -0.163 18356 62 1 . 1 1 13 13 THR H H 13 7.910 7.910 7.785 0.125 18356 63 1 . 1 1 14 14 SER N N 14 118.100 118.100 117.880 0.220 18356 64 1 . 1 1 14 14 SER HA H 14 4.330 4.330 4.241 0.089 18356 65 1 . 1 1 14 14 SER C C 14 175.900 175.900 176.318 -0.418 18356 66 1 . 1 1 14 14 SER CA C 14 63.400 63.400 61.685 1.715 18356 67 1 . 1 1 14 14 SER CB C 14 62.300 62.300 62.677 -0.377 18356 68 1 . 1 1 14 14 SER H H 14 8.630 8.630 8.119 0.511 18356 69 1 . 1 1 15 15 PHE N N 15 122.400 122.400 120.635 1.765 18356 70 1 . 1 1 15 15 PHE HA H 15 4.260 4.260 4.419 -0.159 18356 71 1 . 1 1 15 15 PHE C C 15 178.900 178.900 177.576 1.324 18356 72 1 . 1 1 15 15 PHE CA C 15 62.200 62.200 60.342 1.858 18356 73 1 . 1 1 15 15 PHE CB C 15 40.000 40.000 38.333 1.667 18356 74 1 . 1 1 15 15 PHE H H 15 8.280 8.280 7.506 0.774 18356 75 1 . 1 1 16 16 GLN N N 16 121.400 121.400 119.162 2.237 18356 76 1 . 1 1 16 16 GLN HA H 16 3.970 3.970 4.096 -0.126 18356 77 1 . 1 1 16 16 GLN C C 16 177.600 177.600 178.082 -0.482 18356 78 1 . 1 1 16 16 GLN CA C 16 59.400 59.400 59.041 0.359 18356 79 1 . 1 1 16 16 GLN CB C 16 28.100 28.100 28.318 -0.218 18356 80 1 . 1 1 16 16 GLN H H 16 8.600 8.600 7.919 0.681 18356 81 1 . 1 1 17 17 LYS N N 17 117.000 117.000 117.609 -0.609 18356 82 1 . 1 1 17 17 LYS HA H 17 4.180 4.180 4.314 -0.134 18356 83 1 . 1 1 17 17 LYS C C 17 175.200 175.200 178.500 -3.300 18356 84 1 . 1 1 17 17 LYS CA C 17 58.800 58.800 58.413 0.387 18356 85 1 . 1 1 17 17 LYS CB C 17 33.300 33.300 32.192 1.108 18356 86 1 . 1 1 17 17 LYS H H 17 7.440 7.440 7.583 -0.143 18356 87 1 . 1 1 18 18 LEU N N 18 118.900 118.900 122.450 -3.550 18356 88 1 . 1 1 18 18 LEU HA H 18 4.440 4.440 4.651 -0.211 18356 89 1 . 1 1 18 18 LEU C C 18 173.600 173.600 178.306 -4.706 18356 90 1 . 1 1 18 18 LEU CA C 18 57.200 57.200 57.177 0.023 18356 91 1 . 1 1 18 18 LEU CB C 18 44.200 44.200 42.384 1.816 18356 92 1 . 1 1 18 18 LEU H H 18 7.510 7.510 7.660 -0.150 18356 93 1 . 1 1 19 19 SER N N 19 110.200 110.200 113.440 -3.240 18356 94 1 . 1 1 19 19 SER HA H 19 3.980 3.980 4.295 -0.315 18356 95 1 . 1 1 19 19 SER C C 19 174.400 174.400 176.137 -1.737 18356 96 1 . 1 1 19 19 SER CA C 19 59.500 59.500 61.389 -1.889 18356 97 1 . 1 1 19 19 SER CB C 19 65.200 65.200 63.218 1.982 18356 98 1 . 1 1 19 19 SER H H 19 7.860 7.860 8.238 -0.378 18356 99 1 . 1 1 20 20 GLU N N 20 120.500 120.500 118.538 1.962 18356 100 1 . 1 1 20 20 GLU HA H 20 4.530 4.530 4.475 0.055 18356 101 1 . 1 1 20 20 GLU C C 20 176.100 176.100 177.013 -0.913 18356 102 1 . 1 1 20 20 GLU CA C 20 55.400 55.400 56.177 -0.777 18356 103 1 . 1 1 20 20 GLU CB C 20 31.700 31.700 30.654 1.046 18356 104 1 . 1 1 20 20 GLU H H 20 7.990 7.990 7.702 0.288 18356 105 1 . 1 1 21 21 GLY N N 21 107.000 107.000 108.504 -1.504 18356 106 1 . 1 1 21 21 GLY C C 21 175.400 175.400 173.622 1.778 18356 107 1 . 1 1 21 21 GLY CA C 21 46.800 46.800 44.936 1.864 18356 108 1 . 1 1 21 21 GLY H H 21 8.480 8.480 7.808 0.672 18356 109 1 . 1 1 22 22 ARG N N 22 124.100 124.100 122.925 1.175 18356 110 1 . 1 1 22 22 ARG HA H 22 4.130 4.130 4.680 -0.550 18356 111 1 . 1 1 22 22 ARG C C 22 175.900 175.900 176.904 -1.004 18356 112 1 . 1 1 22 22 ARG CA C 22 56.900 56.900 55.815 1.085 18356 113 1 . 1 1 22 22 ARG CB C 22 29.900 29.900 30.322 -0.422 18356 114 1 . 1 1 22 22 ARG H H 22 8.680 8.680 8.724 -0.044 18356 115 1 . 1 1 23 23 LYS N N 23 117.800 117.800 117.731 0.068 18356 116 1 . 1 1 23 23 LYS HA H 23 3.950 3.950 4.304 -0.354 18356 117 1 . 1 1 23 23 LYS C C 23 176.200 176.200 177.547 -1.347 18356 118 1 . 1 1 23 23 LYS CA C 23 57.200 57.200 58.128 -0.928 18356 119 1 . 1 1 23 23 LYS CB C 23 29.900 29.900 32.082 -2.182 18356 120 1 . 1 1 23 23 LYS H H 23 8.130 8.130 8.208 -0.078 18356 121 1 . 1 1 24 24 GLU N N 24 117.900 117.900 118.692 -0.792 18356 122 1 . 1 1 24 24 GLU HA H 24 3.910 3.910 4.112 -0.202 18356 123 1 . 1 1 24 24 GLU C C 24 177.500 177.500 176.103 1.397 18356 124 1 . 1 1 24 24 GLU CA C 24 58.500 58.500 57.329 1.171 18356 125 1 . 1 1 24 24 GLU CB C 24 30.900 30.900 29.713 1.187 18356 126 1 . 1 1 24 24 GLU H H 24 8.170 8.170 8.457 -0.287 18356 127 1 . 1 1 25 25 TYR N N 25 113.100 113.100 119.409 -6.309 18356 128 1 . 1 1 25 25 TYR HA H 25 4.530 4.530 4.685 -0.155 18356 129 1 . 1 1 25 25 TYR C C 25 173.600 173.600 174.627 -1.027 18356 130 1 . 1 1 25 25 TYR CA C 25 55.300 55.300 56.885 -1.585 18356 131 1 . 1 1 25 25 TYR CB C 25 40.200 40.200 40.157 0.043 18356 132 1 . 1 1 25 25 TYR H H 25 6.950 6.950 7.705 -0.754 18356 133 1 . 1 1 26 26 ARG N N 26 120.500 120.500 123.501 -3.001 18356 134 1 . 1 1 26 26 ARG HA H 26 4.660 4.660 4.359 0.301 18356 135 1 . 1 1 26 26 ARG C C 26 174.600 174.600 174.963 -0.363 18356 136 1 . 1 1 26 26 ARG CA C 26 54.000 54.000 56.361 -2.361 18356 137 1 . 1 1 26 26 ARG CB C 26 31.500 31.500 31.454 0.046 18356 138 1 . 1 1 26 26 ARG H H 26 9.450 9.450 8.357 1.093 18356 139 1 . 1 1 27 27 TYR N N 27 109.700 109.700 114.928 -5.228 18356 140 1 . 1 1 27 27 TYR HA H 27 4.930 4.930 5.118 -0.188 18356 141 1 . 1 1 27 27 TYR C C 27 172.700 172.700 173.991 -1.291 18356 142 1 . 1 1 27 27 TYR CA C 27 56.200 56.200 56.679 -0.479 18356 143 1 . 1 1 27 27 TYR CB C 27 40.800 40.800 40.289 0.511 18356 144 1 . 1 1 27 27 TYR H H 27 7.450 7.450 7.497 -0.047 18356 145 1 . 1 1 28 28 ILE N N 28 117.400 117.400 121.996 -4.596 18356 146 1 . 1 1 28 28 ILE HA H 28 4.780 4.780 4.479 0.301 18356 147 1 . 1 1 28 28 ILE C C 28 174.400 174.400 174.067 0.333 18356 148 1 . 1 1 28 28 ILE CA C 28 60.200 60.200 59.559 0.641 18356 149 1 . 1 1 28 28 ILE CB C 28 43.300 43.300 42.538 0.761 18356 150 1 . 1 1 28 28 ILE H H 28 8.750 8.750 8.484 0.267 18356 151 1 . 1 1 29 29 ILE N N 29 125.100 125.100 122.316 2.784 18356 152 1 . 1 1 29 29 ILE HA H 29 4.670 4.670 5.373 -0.703 18356 153 1 . 1 1 29 29 ILE C C 29 174.600 174.600 173.849 0.751 18356 154 1 . 1 1 29 29 ILE CA C 29 60.800 60.800 59.476 1.324 18356 155 1 . 1 1 29 29 ILE CB C 29 40.500 40.500 40.600 -0.100 18356 156 1 . 1 1 29 29 ILE H H 29 9.180 9.180 8.117 1.063 18356 157 1 . 1 1 30 30 PHE N N 30 126.100 126.100 124.936 1.164 18356 158 1 . 1 1 30 30 PHE HA H 30 5.760 5.760 5.732 0.028 18356 159 1 . 1 1 30 30 PHE C C 30 174.100 174.100 174.939 -0.839 18356 160 1 . 1 1 30 30 PHE CA C 30 55.900 55.900 56.627 -0.727 18356 161 1 . 1 1 30 30 PHE CB C 30 42.300 42.300 43.207 -0.907 18356 162 1 . 1 1 30 30 PHE H H 30 9.650 9.650 9.327 0.323 18356 163 1 . 1 1 31 31 LYS N N 31 118.900 118.900 119.536 -0.636 18356 164 1 . 1 1 31 31 LYS HA H 31 5.320 5.320 5.297 0.022 18356 165 1 . 1 1 31 31 LYS C C 31 173.000 173.000 174.660 -1.660 18356 166 1 . 1 1 31 31 LYS CA C 31 53.800 53.800 54.701 -0.901 18356 167 1 . 1 1 31 31 LYS CB C 31 38.100 38.100 36.747 1.353 18356 168 1 . 1 1 31 31 LYS H H 31 8.990 8.990 9.281 -0.291 18356 169 1 . 1 1 32 32 ILE N N 32 120.500 120.500 122.512 -2.012 18356 170 1 . 1 1 32 32 ILE HA H 32 4.780 4.780 4.702 0.078 18356 171 1 . 1 1 32 32 ILE C C 32 175.200 175.200 174.231 0.969 18356 172 1 . 1 1 32 32 ILE CA C 32 60.700 60.700 60.000 0.700 18356 173 1 . 1 1 32 32 ILE CB C 32 41.300 41.300 40.093 1.207 18356 174 1 . 1 1 32 32 ILE H H 32 8.420 8.420 8.400 0.020 18356 175 1 . 1 1 33 33 ASP N N 33 130.100 130.100 128.570 1.530 18356 176 1 . 1 1 33 33 ASP HA H 33 4.880 4.880 4.825 0.055 18356 177 1 . 1 1 33 33 ASP C C 33 175.300 175.300 176.528 -1.228 18356 178 1 . 1 1 33 33 ASP CA C 33 53.500 53.500 53.155 0.345 18356 179 1 . 1 1 33 33 ASP CB C 33 44.500 44.500 43.663 0.837 18356 180 1 . 1 1 33 33 ASP H H 33 9.270 9.270 8.283 0.987 18356 181 1 . 1 1 34 34 GLU N N 34 123.600 123.600 123.714 -0.114 18356 182 1 . 1 1 34 34 GLU HA H 34 3.730 3.730 4.240 -0.510 18356 183 1 . 1 1 34 34 GLU C C 34 175.000 175.000 177.468 -2.468 18356 184 1 . 1 1 34 34 GLU CA C 34 58.200 58.200 58.171 0.029 18356 185 1 . 1 1 34 34 GLU CB C 34 27.500 27.500 29.796 -2.296 18356 186 1 . 1 1 34 34 GLU H H 34 9.040 9.040 8.863 0.177 18356 187 1 . 1 1 35 35 ASN N N 35 114.200 114.200 117.532 -3.331 18356 188 1 . 1 1 35 35 ASN HA H 35 4.380 4.380 4.641 -0.261 18356 189 1 . 1 1 35 35 ASN C C 35 173.500 173.500 174.990 -1.490 18356 190 1 . 1 1 35 35 ASN CA C 35 53.700 53.700 54.696 -0.996 18356 191 1 . 1 1 35 35 ASN CB C 35 38.500 38.500 39.692 -1.192 18356 192 1 . 1 1 35 35 ASN H H 35 8.570 8.570 8.689 -0.119 18356 193 1 . 1 1 36 36 LYS N N 36 118.400 118.400 119.607 -1.207 18356 194 1 . 1 1 36 36 LYS HA H 36 5.340 5.340 4.552 0.788 18356 195 1 . 1 1 36 36 LYS C C 36 174.900 174.900 175.628 -0.728 18356 196 1 . 1 1 36 36 LYS CA C 36 54.500 54.500 54.606 -0.106 18356 197 1 . 1 1 36 36 LYS CB C 36 36.100 36.100 34.145 1.955 18356 198 1 . 1 1 36 36 LYS H H 36 7.750 7.750 7.726 0.024 18356 199 1 . 1 1 37 37 VAL N N 37 122.900 122.900 121.933 0.967 18356 200 1 . 1 1 37 37 VAL HA H 37 4.550 4.550 4.342 0.208 18356 201 1 . 1 1 37 37 VAL C C 37 174.600 174.600 174.411 0.189 18356 202 1 . 1 1 37 37 VAL CA C 37 62.000 62.000 61.805 0.195 18356 203 1 . 1 1 37 37 VAL CB C 37 32.300 32.300 30.178 2.122 18356 204 1 . 1 1 37 37 VAL H H 37 8.790 8.790 8.774 0.016 18356 205 1 . 1 1 38 38 ILE N N 38 119.600 119.600 123.426 -3.826 18356 206 1 . 1 1 38 38 ILE HA H 38 4.880 4.880 5.099 -0.219 18356 207 1 . 1 1 38 38 ILE C C 38 176.200 176.200 175.475 0.725 18356 208 1 . 1 1 38 38 ILE CA C 38 59.300 59.300 59.103 0.197 18356 209 1 . 1 1 38 38 ILE CB C 38 42.800 42.800 42.550 0.250 18356 210 1 . 1 1 38 38 ILE H H 38 9.230 9.230 8.119 1.111 18356 211 1 . 1 1 39 39 VAL N N 39 121.300 121.300 126.509 -5.209 18356 212 1 . 1 1 39 39 VAL HA H 39 3.850 3.850 4.479 -0.629 18356 213 1 . 1 1 39 39 VAL C C 39 175.300 175.300 175.597 -0.297 18356 214 1 . 1 1 39 39 VAL CA C 39 63.900 63.900 62.331 1.569 18356 215 1 . 1 1 39 39 VAL CB C 39 32.100 32.100 31.147 0.953 18356 216 1 . 1 1 39 39 VAL H H 39 9.070 9.070 8.375 0.695 18356 217 1 . 1 1 40 40 GLU N N 40 131.200 131.200 127.674 3.526 18356 218 1 . 1 1 40 40 GLU HA H 40 4.270 4.270 4.785 -0.515 18356 219 1 . 1 1 40 40 GLU C C 40 176.000 176.000 174.704 1.296 18356 220 1 . 1 1 40 40 GLU CA C 40 57.200 57.200 54.244 2.956 18356 221 1 . 1 1 40 40 GLU CB C 40 32.300 32.300 32.909 -0.609 18356 222 1 . 1 1 40 40 GLU H H 40 9.230 9.230 8.598 0.632 18356 223 1 . 1 1 41 41 ALA N N 41 118.100 118.100 124.504 -6.404 18356 224 1 . 1 1 41 41 ALA HA H 41 4.440 4.440 4.312 0.128 18356 225 1 . 1 1 41 41 ALA C C 41 173.300 173.300 176.159 -2.859 18356 226 1 . 1 1 41 41 ALA CA C 41 52.000 52.000 50.853 1.147 18356 227 1 . 1 1 41 41 ALA CB C 41 21.800 21.800 19.445 2.355 18356 228 1 . 1 1 41 41 ALA H H 41 7.670 7.670 8.443 -0.773 18356 229 1 . 1 1 42 42 ALA N N 42 127.600 127.600 126.519 1.081 18356 230 1 . 1 1 42 42 ALA HA H 42 4.520 4.520 4.746 -0.226 18356 231 1 . 1 1 42 42 ALA C C 42 174.900 174.900 175.467 -0.567 18356 232 1 . 1 1 42 42 ALA CA C 42 51.700 51.700 50.645 1.055 18356 233 1 . 1 1 42 42 ALA CB C 42 19.100 19.100 21.866 -2.766 18356 234 1 . 1 1 42 42 ALA H H 42 8.480 8.480 8.577 -0.097 18356 235 1 . 1 1 43 43 VAL N N 43 124.900 124.900 117.993 6.907 18356 236 1 . 1 1 43 43 VAL HA H 43 4.350 4.350 4.325 0.025 18356 237 1 . 1 1 43 43 VAL C C 43 176.100 176.100 175.690 0.410 18356 238 1 . 1 1 43 43 VAL CA C 43 62.100 62.100 61.228 0.872 18356 239 1 . 1 1 43 43 VAL CB C 43 34.300 34.300 32.679 1.621 18356 240 1 . 1 1 43 43 VAL H H 43 7.820 7.820 8.241 -0.421 18356 241 1 . 1 1 44 44 THR N N 44 119.400 119.400 115.795 3.605 18356 242 1 . 1 1 44 44 THR HA H 44 4.800 4.800 4.496 0.304 18356 243 1 . 1 1 44 44 THR C C 44 174.300 174.300 175.787 -1.487 18356 244 1 . 1 1 44 44 THR CA C 44 60.300 60.300 61.163 -0.863 18356 245 1 . 1 1 44 44 THR CB C 44 71.200 71.200 70.368 0.832 18356 246 1 . 1 1 44 44 THR H H 44 8.670 8.670 8.119 0.552 18356 247 1 . 1 1 45 45 GLN N N 45 119.800 119.800 120.377 -0.577 18356 248 1 . 1 1 45 45 GLN HA H 45 4.010 4.010 4.178 -0.168 18356 249 1 . 1 1 45 45 GLN C C 45 179.600 179.600 177.325 2.275 18356 250 1 . 1 1 45 45 GLN CA C 45 59.000 59.000 58.402 0.598 18356 251 1 . 1 1 45 45 GLN CB C 45 27.600 27.600 28.523 -0.923 18356 252 1 . 1 1 45 45 GLN H H 45 8.660 8.660 8.998 -0.338 18356 253 1 . 1 1 46 46 ASP N N 46 117.300 117.300 119.412 -2.112 18356 254 1 . 1 1 46 46 ASP HA H 46 4.390 4.390 4.290 0.100 18356 255 1 . 1 1 46 46 ASP C C 46 178.900 178.900 177.209 1.691 18356 256 1 . 1 1 46 46 ASP CA C 46 57.100 57.100 56.817 0.283 18356 257 1 . 1 1 46 46 ASP CB C 46 40.800 40.800 39.950 0.850 18356 258 1 . 1 1 46 46 ASP H H 46 8.430 8.430 8.486 -0.056 18356 259 1 . 1 1 47 47 GLN N N 47 118.900 118.900 117.706 1.194 18356 260 1 . 1 1 47 47 GLN HA H 47 4.030 4.030 4.357 -0.327 18356 261 1 . 1 1 47 47 GLN C C 47 178.000 178.000 177.688 0.312 18356 262 1 . 1 1 47 47 GLN CA C 47 57.800 57.800 57.835 -0.035 18356 263 1 . 1 1 47 47 GLN CB C 47 29.100 29.100 28.385 0.715 18356 264 1 . 1 1 47 47 GLN H H 47 7.830 7.830 7.764 0.066 18356 265 1 . 1 1 48 48 LEU N N 48 118.100 118.100 117.085 1.015 18356 266 1 . 1 1 48 48 LEU HA H 48 4.180 4.180 4.403 -0.223 18356 267 1 . 1 1 48 48 LEU C C 48 177.600 177.600 177.979 -0.379 18356 268 1 . 1 1 48 48 LEU CA C 48 56.300 56.300 55.825 0.475 18356 269 1 . 1 1 48 48 LEU CB C 48 43.100 43.100 41.670 1.430 18356 270 1 . 1 1 48 48 LEU H H 48 7.560 7.560 7.665 -0.105 18356 271 1 . 1 1 49 49 GLY N N 49 105.600 105.600 107.611 -2.011 18356 272 1 . 1 1 49 49 GLY C C 49 174.700 174.700 174.254 0.446 18356 273 1 . 1 1 49 49 GLY CA C 49 47.000 47.000 45.624 1.376 18356 274 1 . 1 1 49 49 GLY H H 49 7.570 7.570 7.863 -0.293 18356 275 1 . 1 1 50 50 ILE N N 50 117.700 117.700 122.101 -4.401 18356 276 1 . 1 1 50 50 ILE HA H 50 4.340 4.340 4.399 -0.059 18356 277 1 . 1 1 50 50 ILE C C 50 176.500 176.500 175.107 1.393 18356 278 1 . 1 1 50 50 ILE CA C 50 59.900 59.900 59.978 -0.078 18356 279 1 . 1 1 50 50 ILE CB C 50 38.900 38.900 40.059 -1.159 18356 280 1 . 1 1 50 50 ILE H H 50 7.940 7.940 8.077 -0.137 18356 281 1 . 1 1 51 51 THR N N 51 117.500 117.500 120.214 -2.714 18356 282 1 . 1 1 51 51 THR HA H 51 4.420 4.420 4.287 0.133 18356 283 1 . 1 1 51 51 THR C C 51 174.900 174.900 175.608 -0.708 18356 284 1 . 1 1 51 51 THR CA C 51 61.700 61.700 64.085 -2.385 18356 285 1 . 1 1 51 51 THR CB C 51 69.900 69.900 69.217 0.683 18356 286 1 . 1 1 51 51 THR H H 51 8.480 8.480 8.602 -0.122 18356 287 1 . 1 1 52 52 GLY N N 52 111.200 111.200 110.550 0.650 18356 288 1 . 1 1 52 52 GLY C C 52 172.700 172.700 173.096 -0.396 18356 289 1 . 1 1 52 52 GLY CA C 52 44.600 44.600 45.114 -0.514 18356 290 1 . 1 1 52 52 GLY H H 52 8.080 8.080 8.244 -0.164 18356 291 1 . 1 1 53 53 ASP N N 53 120.800 120.800 120.993 -0.193 18356 292 1 . 1 1 53 53 ASP HA H 53 4.660 4.660 4.650 0.010 18356 293 1 . 1 1 53 53 ASP C C 53 177.800 177.800 175.037 2.763 18356 294 1 . 1 1 53 53 ASP CA C 53 53.900 53.900 54.076 -0.176 18356 295 1 . 1 1 53 53 ASP CB C 53 42.700 42.700 41.173 1.527 18356 296 1 . 1 1 53 53 ASP H H 53 8.490 8.490 8.199 0.291 18356 297 1 . 1 1 54 54 ASP N N 54 124.100 124.100 121.495 2.605 18356 298 1 . 1 1 54 54 ASP HA H 54 4.630 4.630 4.543 0.087 18356 299 1 . 1 1 54 54 ASP C C 54 177.100 177.100 176.791 0.309 18356 300 1 . 1 1 54 54 ASP CA C 54 56.600 56.600 54.836 1.764 18356 301 1 . 1 1 54 54 ASP CB C 54 42.800 42.800 42.083 0.717 18356 302 1 . 1 1 54 54 ASP H H 54 8.500 8.500 8.369 0.131 18356 303 1 . 1 1 55 55 TYR N N 55 114.900 114.900 118.964 -4.064 18356 304 1 . 1 1 55 55 TYR HA H 55 4.560 4.560 4.320 0.240 18356 305 1 . 1 1 55 55 TYR C C 55 178.900 178.900 176.903 1.997 18356 306 1 . 1 1 55 55 TYR CA C 55 62.400 62.400 60.077 2.323 18356 307 1 . 1 1 55 55 TYR CB C 55 37.300 37.300 37.416 -0.117 18356 308 1 . 1 1 55 55 TYR H H 55 8.350 8.350 8.189 0.162 18356 309 1 . 1 1 56 56 ASP N N 56 119.600 119.600 118.488 1.112 18356 310 1 . 1 1 56 56 ASP HA H 56 4.560 4.560 4.357 0.203 18356 311 1 . 1 1 56 56 ASP C C 56 177.300 177.300 176.823 0.477 18356 312 1 . 1 1 56 56 ASP CA C 56 57.200 57.200 56.227 0.973 18356 313 1 . 1 1 56 56 ASP CB C 56 40.600 40.600 40.550 0.050 18356 314 1 . 1 1 56 56 ASP H H 56 8.320 8.320 7.823 0.497 18356 315 1 . 1 1 57 57 ASP N N 57 116.600 116.600 118.613 -2.013 18356 316 1 . 1 1 57 57 ASP HA H 57 4.940 4.940 4.610 0.330 18356 317 1 . 1 1 57 57 ASP C C 57 178.100 178.100 177.617 0.483 18356 318 1 . 1 1 57 57 ASP CA C 57 52.400 52.400 55.510 -3.110 18356 319 1 . 1 1 57 57 ASP CB C 57 41.100 41.100 42.051 -0.951 18356 320 1 . 1 1 57 57 ASP H H 57 7.740 7.740 7.718 0.022 18356 321 1 . 1 1 58 58 SER N N 58 117.600 117.600 113.745 3.855 18356 322 1 . 1 1 58 58 SER HA H 58 4.800 4.800 4.623 0.177 18356 323 1 . 1 1 58 58 SER C C 58 174.600 174.600 175.341 -0.741 18356 324 1 . 1 1 58 58 SER CA C 58 60.200 60.200 59.035 1.165 18356 325 1 . 1 1 58 58 SER CB C 58 63.000 63.000 64.655 -1.655 18356 326 1 . 1 1 58 58 SER H H 58 8.130 8.130 7.956 0.174 18356 327 1 . 1 1 59 59 SER N N 59 105.400 105.400 115.501 -10.101 18356 328 1 . 1 1 59 59 SER HA H 59 4.580 4.580 4.147 0.433 18356 329 1 . 1 1 59 59 SER C C 59 173.200 173.200 175.026 -1.826 18356 330 1 . 1 1 59 59 SER CA C 59 60.500 60.500 61.334 -0.834 18356 331 1 . 1 1 59 59 SER CB C 59 66.100 66.100 61.608 4.492 18356 332 1 . 1 1 59 59 SER H H 59 9.010 9.010 8.423 0.587 18356 333 1 . 1 1 60 60 LYS N N 60 123.100 123.100 121.712 1.388 18356 334 1 . 1 1 60 60 LYS HA H 60 4.080 4.080 4.403 -0.323 18356 335 1 . 1 1 60 60 LYS C C 60 176.500 176.500 177.923 -1.423 18356 336 1 . 1 1 60 60 LYS CA C 60 61.000 61.000 58.480 2.520 18356 337 1 . 1 1 60 60 LYS CB C 60 32.800 32.800 32.615 0.185 18356 338 1 . 1 1 60 60 LYS H H 60 7.450 7.450 8.214 -0.764 18356 339 1 . 1 1 61 61 ALA N N 61 120.700 120.700 121.152 -0.452 18356 340 1 . 1 1 61 61 ALA HA H 61 4.130 4.130 4.227 -0.097 18356 341 1 . 1 1 61 61 ALA C C 61 181.800 181.800 179.105 2.695 18356 342 1 . 1 1 61 61 ALA CA C 61 55.500 55.500 54.630 0.870 18356 343 1 . 1 1 61 61 ALA CB C 61 17.900 17.900 18.040 -0.140 18356 344 1 . 1 1 61 61 ALA H H 61 8.800 8.800 8.083 0.717 18356 345 1 . 1 1 62 62 ALA N N 62 119.900 119.900 121.078 -1.178 18356 346 1 . 1 1 62 62 ALA HA H 62 4.040 4.040 3.821 0.219 18356 347 1 . 1 1 62 62 ALA C C 62 178.600 178.600 178.866 -0.266 18356 348 1 . 1 1 62 62 ALA CA C 62 55.400 55.400 54.344 1.056 18356 349 1 . 1 1 62 62 ALA CB C 62 19.700 19.700 18.186 1.514 18356 350 1 . 1 1 62 62 ALA H H 62 8.760 8.760 7.792 0.968 18356 351 1 . 1 1 63 63 PHE N N 63 120.400 120.400 116.859 3.541 18356 352 1 . 1 1 63 63 PHE HA H 63 3.660 3.660 4.349 -0.689 18356 353 1 . 1 1 63 63 PHE C C 63 177.300 177.300 177.831 -0.531 18356 354 1 . 1 1 63 63 PHE CA C 63 62.200 62.200 61.098 1.102 18356 355 1 . 1 1 63 63 PHE CB C 63 39.600 39.600 38.697 0.903 18356 356 1 . 1 1 63 63 PHE H H 63 9.380 9.380 7.623 1.757 18356 357 1 . 1 1 64 64 ASP N N 64 119.700 119.700 119.295 0.405 18356 358 1 . 1 1 64 64 ASP HA H 64 4.410 4.410 4.437 -0.027 18356 359 1 . 1 1 64 64 ASP C C 64 180.200 180.200 178.406 1.794 18356 360 1 . 1 1 64 64 ASP CA C 64 57.700 57.700 57.645 0.055 18356 361 1 . 1 1 64 64 ASP CB C 64 39.600 39.600 40.464 -0.864 18356 362 1 . 1 1 64 64 ASP H H 64 9.180 9.180 7.966 1.214 18356 363 1 . 1 1 65 65 LYS N N 65 119.800 119.800 119.582 0.218 18356 364 1 . 1 1 65 65 LYS HA H 65 4.080 4.080 4.112 -0.032 18356 365 1 . 1 1 65 65 LYS C C 65 179.100 179.100 178.285 0.815 18356 366 1 . 1 1 65 65 LYS CA C 65 59.600 59.600 58.298 1.302 18356 367 1 . 1 1 65 65 LYS CB C 65 32.500 32.500 31.607 0.893 18356 368 1 . 1 1 65 65 LYS H H 65 7.420 7.420 7.586 -0.166 18356 369 1 . 1 1 66 66 PHE N N 66 123.400 123.400 119.616 3.784 18356 370 1 . 1 1 66 66 PHE HA H 66 4.340 4.340 4.254 0.086 18356 371 1 . 1 1 66 66 PHE C C 66 175.900 175.900 177.906 -2.006 18356 372 1 . 1 1 66 66 PHE CA C 66 59.900 59.900 60.316 -0.415 18356 373 1 . 1 1 66 66 PHE CB C 66 38.300 38.300 38.625 -0.325 18356 374 1 . 1 1 66 66 PHE H H 66 8.000 8.000 7.618 0.382 18356 375 1 . 1 1 67 67 VAL N N 67 120.200 120.200 118.617 1.583 18356 376 1 . 1 1 67 67 VAL HA H 67 2.600 2.600 3.808 -1.208 18356 377 1 . 1 1 67 67 VAL C C 67 177.700 177.700 177.159 0.541 18356 378 1 . 1 1 67 67 VAL CA C 67 67.100 67.100 64.628 2.472 18356 379 1 . 1 1 67 67 VAL CB C 67 31.700 31.700 31.840 -0.140 18356 380 1 . 1 1 67 67 VAL H H 67 8.500 8.500 7.843 0.657 18356 381 1 . 1 1 68 68 GLU N N 68 118.300 118.300 120.055 -1.755 18356 382 1 . 1 1 68 68 GLU HA H 68 3.800 3.800 4.032 -0.232 18356 383 1 . 1 1 68 68 GLU C C 68 178.800 178.800 178.283 0.517 18356 384 1 . 1 1 68 68 GLU CA C 68 59.500 59.500 58.991 0.509 18356 385 1 . 1 1 68 68 GLU CB C 68 29.400 29.400 29.235 0.165 18356 386 1 . 1 1 68 68 GLU H H 68 7.510 7.510 7.667 -0.157 18356 387 1 . 1 1 69 69 ASP N N 69 121.400 121.400 119.019 2.381 18356 388 1 . 1 1 69 69 ASP HA H 69 4.360 4.360 4.501 -0.141 18356 389 1 . 1 1 69 69 ASP C C 69 178.100 178.100 178.387 -0.287 18356 390 1 . 1 1 69 69 ASP CA C 69 56.500 56.500 56.625 -0.125 18356 391 1 . 1 1 69 69 ASP CB C 69 40.900 40.900 40.618 0.281 18356 392 1 . 1 1 69 69 ASP H H 69 7.750 7.750 7.721 0.029 18356 393 1 . 1 1 70 70 VAL N N 70 117.600 117.600 119.544 -1.944 18356 394 1 . 1 1 70 70 VAL HA H 70 3.050 3.050 3.595 -0.545 18356 395 1 . 1 1 70 70 VAL C C 70 179.900 179.900 177.623 2.277 18356 396 1 . 1 1 70 70 VAL CA C 70 67.500 67.500 65.994 1.506 18356 397 1 . 1 1 70 70 VAL CB C 70 32.400 32.400 31.312 1.088 18356 398 1 . 1 1 70 70 VAL H H 70 8.230 8.230 7.519 0.711 18356 399 1 . 1 1 71 71 LYS N N 71 120.900 120.900 119.059 1.841 18356 400 1 . 1 1 71 71 LYS HA H 71 3.450 3.450 4.017 -0.567 18356 401 1 . 1 1 71 71 LYS C C 71 177.700 177.700 178.445 -0.744 18356 402 1 . 1 1 71 71 LYS CA C 71 61.900 61.900 59.055 2.845 18356 403 1 . 1 1 71 71 LYS CB C 71 32.400 32.400 31.303 1.097 18356 404 1 . 1 1 71 71 LYS H H 71 8.900 8.900 7.856 1.044 18356 405 1 . 1 1 72 72 SER N N 72 114.200 114.200 116.268 -2.068 18356 406 1 . 1 1 72 72 SER HA H 72 4.340 4.340 4.279 0.061 18356 407 1 . 1 1 72 72 SER C C 72 178.300 178.300 176.426 1.874 18356 408 1 . 1 1 72 72 SER CA C 72 61.500 61.500 60.943 0.557 18356 409 1 . 1 1 72 72 SER CB C 72 63.000 63.000 62.877 0.123 18356 410 1 . 1 1 72 72 SER H H 72 8.000 8.000 8.112 -0.112 18356 411 1 . 1 1 73 73 ARG N N 73 119.700 119.700 119.135 0.565 18356 412 1 . 1 1 73 73 ARG HA H 73 4.160 4.160 4.146 0.014 18356 413 1 . 1 1 73 73 ARG C C 73 177.000 177.000 177.353 -0.353 18356 414 1 . 1 1 73 73 ARG CA C 73 58.700 58.700 58.620 0.080 18356 415 1 . 1 1 73 73 ARG CB C 73 30.300 30.300 30.337 -0.036 18356 416 1 . 1 1 73 73 ARG H H 73 8.430 8.430 7.731 0.699 18356 417 1 . 1 1 74 74 THR N N 74 103.500 103.500 109.645 -6.145 18356 418 1 . 1 1 74 74 THR HA H 74 4.210 4.210 4.464 -0.254 18356 419 1 . 1 1 74 74 THR C C 74 173.500 173.500 174.440 -0.940 18356 420 1 . 1 1 74 74 THR CA C 74 60.300 60.300 62.528 -2.228 18356 421 1 . 1 1 74 74 THR CB C 74 70.100 70.100 69.294 0.806 18356 422 1 . 1 1 74 74 THR H H 74 7.400 7.400 7.649 -0.249 18356 423 1 . 1 1 75 75 ASP N N 75 121.300 121.300 121.840 -0.540 18356 424 1 . 1 1 75 75 ASP HA H 75 4.280 4.280 4.540 -0.260 18356 425 1 . 1 1 75 75 ASP C C 75 176.500 176.500 176.493 0.007 18356 426 1 . 1 1 75 75 ASP CA C 75 55.300 55.300 55.614 -0.313 18356 427 1 . 1 1 75 75 ASP CB C 75 38.400 38.400 41.596 -3.195 18356 428 1 . 1 1 75 75 ASP H H 75 7.900 7.900 7.940 -0.040 18356 429 1 . 1 1 76 76 ASN N N 76 116.400 116.400 118.167 -1.767 18356 430 1 . 1 1 76 76 ASN HA H 76 4.000 4.000 4.746 -0.746 18356 431 1 . 1 1 76 76 ASN C C 76 173.600 173.600 175.631 -2.031 18356 432 1 . 1 1 76 76 ASN CA C 76 54.000 54.000 53.299 0.701 18356 433 1 . 1 1 76 76 ASN CB C 76 36.600 36.600 39.411 -2.811 18356 434 1 . 1 1 76 76 ASN H H 76 9.070 9.070 7.900 1.170 18356 435 1 . 1 1 77 77 LEU N N 77 112.300 112.300 118.906 -6.606 18356 436 1 . 1 1 77 77 LEU HA H 77 3.670 3.670 4.391 -0.721 18356 437 1 . 1 1 77 77 LEU C C 77 175.200 175.200 176.563 -1.363 18356 438 1 . 1 1 77 77 LEU CA C 77 55.900 55.900 55.671 0.229 18356 439 1 . 1 1 77 77 LEU CB C 77 37.900 37.900 41.963 -4.063 18356 440 1 . 1 1 77 77 LEU H H 77 7.840 7.840 8.092 -0.252 18356 441 1 . 1 1 78 78 THR N N 78 106.000 106.000 114.955 -8.955 18356 442 1 . 1 1 78 78 THR HA H 78 4.220 4.220 4.501 -0.281 18356 443 1 . 1 1 78 78 THR C C 78 172.200 172.200 173.155 -0.955 18356 444 1 . 1 1 78 78 THR CA C 78 60.600 60.600 62.073 -1.473 18356 445 1 . 1 1 78 78 THR CB C 78 69.300 69.300 68.885 0.415 18356 446 1 . 1 1 78 78 THR H H 78 8.240 8.240 7.939 0.301 18356 447 1 . 1 1 79 79 ASP N N 79 118.600 118.600 123.633 -5.033 18356 448 1 . 1 1 79 79 ASP HA H 79 4.730 4.730 4.848 -0.118 18356 449 1 . 1 1 79 79 ASP C C 79 173.000 173.000 174.405 -1.405 18356 450 1 . 1 1 79 79 ASP CA C 79 51.500 51.500 52.869 -1.369 18356 451 1 . 1 1 79 79 ASP CB C 79 44.300 44.300 43.375 0.925 18356 452 1 . 1 1 79 79 ASP H H 79 7.490 7.490 7.886 -0.396 18356 453 1 . 1 1 80 80 CYS N N 80 115.900 115.900 118.600 -2.700 18356 454 1 . 1 1 80 80 CYS HA H 80 4.470 4.470 4.519 -0.049 18356 455 1 . 1 1 80 80 CYS C C 80 174.000 174.000 173.557 0.443 18356 456 1 . 1 1 80 80 CYS CA C 80 56.300 56.300 58.100 -1.800 18356 457 1 . 1 1 80 80 CYS CB C 80 29.500 29.500 29.620 -0.120 18356 458 1 . 1 1 80 80 CYS H H 80 8.480 8.480 8.368 0.112 18356 459 1 . 1 1 81 81 ARG N N 81 115.600 115.600 123.002 -7.402 18356 460 1 . 1 1 81 81 ARG HA H 81 4.680 4.680 4.964 -0.284 18356 461 1 . 1 1 81 81 ARG C C 81 175.500 175.500 174.162 1.338 18356 462 1 . 1 1 81 81 ARG CA C 81 54.200 54.200 54.271 -0.071 18356 463 1 . 1 1 81 81 ARG CB C 81 39.000 39.000 34.104 4.896 18356 464 1 . 1 1 81 81 ARG H H 81 8.380 8.380 8.215 0.165 18356 465 1 . 1 1 82 82 TYR N N 82 114.200 114.200 122.200 -8.000 18356 466 1 . 1 1 82 82 TYR HA H 82 5.780 5.780 5.028 0.752 18356 467 1 . 1 1 82 82 TYR C C 82 175.200 175.200 174.423 0.777 18356 468 1 . 1 1 82 82 TYR CA C 82 55.200 55.200 56.260 -1.060 18356 469 1 . 1 1 82 82 TYR CB C 82 42.200 42.200 42.176 0.024 18356 470 1 . 1 1 82 82 TYR H H 82 8.170 8.170 9.219 -1.049 18356 471 1 . 1 1 83 83 ALA N N 83 121.300 121.300 125.148 -3.848 18356 472 1 . 1 1 83 83 ALA HA H 83 5.730 5.730 5.131 0.599 18356 473 1 . 1 1 83 83 ALA C C 83 175.900 175.900 175.123 0.777 18356 474 1 . 1 1 83 83 ALA CA C 83 52.000 52.000 50.472 1.528 18356 475 1 . 1 1 83 83 ALA CB C 83 24.300 24.300 21.794 2.506 18356 476 1 . 1 1 83 83 ALA H H 83 8.780 8.780 8.636 0.144 18356 477 1 . 1 1 84 84 VAL N N 84 111.700 111.700 123.926 -12.226 18356 478 1 . 1 1 84 84 VAL HA H 84 6.180 6.180 5.176 1.004 18356 479 1 . 1 1 84 84 VAL C C 84 176.900 176.900 174.674 2.226 18356 480 1 . 1 1 84 84 VAL CA C 84 58.800 58.800 61.329 -2.529 18356 481 1 . 1 1 84 84 VAL CB C 84 35.600 35.600 34.402 1.198 18356 482 1 . 1 1 84 84 VAL H H 84 9.150 9.150 8.512 0.638 18356 483 1 . 1 1 85 85 PHE N N 85 121.600 121.600 122.100 -0.500 18356 484 1 . 1 1 85 85 PHE HA H 85 4.710 4.710 5.112 -0.402 18356 485 1 . 1 1 85 85 PHE C C 85 176.500 176.500 172.862 3.639 18356 486 1 . 1 1 85 85 PHE CA C 85 57.200 57.200 56.795 0.405 18356 487 1 . 1 1 85 85 PHE CB C 85 43.900 43.900 41.490 2.410 18356 488 1 . 1 1 85 85 PHE H H 85 8.780 8.780 8.045 0.735 18356 489 1 . 1 1 86 86 ASP N N 86 126.700 126.700 119.982 6.718 18356 490 1 . 1 1 86 86 ASP HA H 86 4.830 4.830 4.976 -0.146 18356 491 1 . 1 1 86 86 ASP C C 86 171.800 171.800 174.858 -3.058 18356 492 1 . 1 1 86 86 ASP CA C 86 54.300 54.300 53.381 0.919 18356 493 1 . 1 1 86 86 ASP CB C 86 40.300 40.300 42.818 -2.518 18356 494 1 . 1 1 86 86 ASP H H 86 7.490 7.490 8.719 -1.229 18356 495 1 . 1 1 87 87 PHE N N 87 135.000 135.000 123.762 11.238 18356 496 1 . 1 1 87 87 PHE HA H 87 3.980 3.980 4.684 -0.704 18356 497 1 . 1 1 87 87 PHE C C 87 173.600 173.600 174.261 -0.661 18356 498 1 . 1 1 87 87 PHE CA C 87 59.700 59.700 56.745 2.955 18356 499 1 . 1 1 87 87 PHE CB C 87 42.900 42.900 42.444 0.456 18356 500 1 . 1 1 87 87 PHE H H 87 9.600 9.600 8.565 1.035 18356 501 1 . 1 1 88 88 LYS N N 88 127.700 127.700 128.451 -0.751 18356 502 1 . 1 1 88 88 LYS HA H 88 5.260 5.260 4.694 0.567 18356 503 1 . 1 1 88 88 LYS C C 88 176.200 176.200 175.231 0.969 18356 504 1 . 1 1 88 88 LYS CA C 88 55.500 55.500 55.757 -0.257 18356 505 1 . 1 1 88 88 LYS CB C 88 33.100 33.100 32.023 1.078 18356 506 1 . 1 1 88 88 LYS H H 88 7.550 7.550 8.121 -0.571 18356 507 1 . 1 1 89 89 PHE N N 89 119.700 119.700 122.895 -3.195 18356 508 1 . 1 1 89 89 PHE HA H 89 5.290 5.290 4.808 0.482 18356 509 1 . 1 1 89 89 PHE C C 89 172.100 172.100 173.663 -1.563 18356 510 1 . 1 1 89 89 PHE CA C 89 56.300 56.300 55.127 1.173 18356 511 1 . 1 1 89 89 PHE CB C 89 40.200 40.200 40.946 -0.746 18356 512 1 . 1 1 89 89 PHE H H 89 9.600 9.600 8.666 0.934 18356 513 1 . 1 1 90 90 THR N N 90 111.800 111.800 111.854 -0.054 18356 514 1 . 1 1 90 90 THR HA H 90 5.170 5.170 4.656 0.514 18356 515 1 . 1 1 90 90 THR C C 90 174.100 174.100 173.737 0.363 18356 516 1 . 1 1 90 90 THR CA C 90 60.500 60.500 60.645 -0.145 18356 517 1 . 1 1 90 90 THR CB C 90 71.200 71.200 70.727 0.473 18356 518 1 . 1 1 90 90 THR H H 90 8.170 8.170 8.288 -0.118 18356 519 1 . 1 1 91 91 CYS N N 91 121.300 121.300 123.580 -2.280 18356 520 1 . 1 1 91 91 CYS HA H 91 4.880 4.880 4.710 0.170 18356 521 1 . 1 1 91 91 CYS C C 91 173.600 173.600 174.585 -0.985 18356 522 1 . 1 1 91 91 CYS CA C 91 57.200 57.200 57.606 -0.406 18356 523 1 . 1 1 91 91 CYS CB C 91 30.300 30.300 30.300 0.000 18356 524 1 . 1 1 91 91 CYS H H 91 8.810 8.810 8.506 0.304 18356 525 1 . 1 1 92 92 SER N N 92 120.800 120.800 118.710 2.090 18356 526 1 . 1 1 92 92 SER HA H 92 4.180 4.180 4.436 -0.256 18356 527 1 . 1 1 92 92 SER C C 92 173.600 173.600 174.247 -0.647 18356 528 1 . 1 1 92 92 SER CA C 92 58.300 58.300 58.615 -0.315 18356 529 1 . 1 1 92 92 SER CB C 92 64.000 64.000 63.639 0.361 18356 530 1 . 1 1 92 92 SER H H 92 8.960 8.960 8.733 0.227 18356 531 1 . 1 1 93 93 ARG N N 93 123.600 123.600 126.150 -2.550 18356 532 1 . 1 1 93 93 ARG HA H 93 4.710 4.710 4.367 0.343 18356 533 1 . 1 1 93 93 ARG C C 93 176.300 176.300 175.014 1.286 18356 534 1 . 1 1 93 93 ARG CA C 93 54.800 54.800 55.982 -1.182 18356 535 1 . 1 1 93 93 ARG CB C 93 32.800 32.800 28.866 3.934 18356 536 1 . 1 1 93 93 ARG H H 93 8.140 8.140 8.613 -0.472 18356 537 1 . 1 1 94 94 VAL N N 94 124.700 124.700 125.864 -1.164 18356 538 1 . 1 1 94 94 VAL HA H 94 3.850 3.850 4.326 -0.476 18356 539 1 . 1 1 94 94 VAL C C 94 177.400 177.400 176.153 1.248 18356 540 1 . 1 1 94 94 VAL CA C 94 64.300 64.300 61.897 2.403 18356 541 1 . 1 1 94 94 VAL CB C 94 31.900 31.900 33.557 -1.657 18356 542 1 . 1 1 94 94 VAL H H 94 8.880 8.880 8.042 0.838 18356 543 1 . 1 1 95 95 GLY N N 95 115.100 115.100 118.031 -2.931 18356 544 1 . 1 1 95 95 GLY C C 95 174.100 174.100 173.515 0.585 18356 545 1 . 1 1 95 95 GLY CA C 95 45.800 45.800 45.601 0.199 18356 546 1 . 1 1 95 95 GLY H H 95 8.900 8.900 8.801 0.099 18356 547 1 . 1 1 96 96 ALA N N 96 123.000 123.000 125.169 -2.169 18356 548 1 . 1 1 96 96 ALA HA H 96 4.520 4.520 4.674 -0.154 18356 549 1 . 1 1 96 96 ALA C C 96 177.500 177.500 176.784 0.716 18356 550 1 . 1 1 96 96 ALA CA C 96 52.100 52.100 50.982 1.118 18356 551 1 . 1 1 96 96 ALA CB C 96 20.300 20.300 20.776 -0.476 18356 552 1 . 1 1 96 96 ALA H H 96 8.070 8.070 7.796 0.274 18356 553 1 . 1 1 97 97 GLY N N 97 107.800 107.800 107.130 0.670 18356 554 1 . 1 1 97 97 GLY C C 97 174.000 174.000 173.948 0.052 18356 555 1 . 1 1 97 97 GLY CA C 97 45.300 45.300 44.565 0.735 18356 556 1 . 1 1 97 97 GLY H H 97 8.270 8.270 8.444 -0.174 18356 557 1 . 1 1 98 98 THR N N 98 115.600 115.600 117.420 -1.820 18356 558 1 . 1 1 98 98 THR HA H 98 4.720 4.720 4.439 0.281 18356 559 1 . 1 1 98 98 THR C C 98 174.300 174.300 173.994 0.306 18356 560 1 . 1 1 98 98 THR CA C 98 61.900 61.900 62.819 -0.919 18356 561 1 . 1 1 98 98 THR CB C 98 70.400 70.400 69.458 0.942 18356 562 1 . 1 1 98 98 THR H H 98 8.330 8.330 8.027 0.303 18356 563 1 . 1 1 99 99 SER N N 99 119.900 119.900 120.780 -0.879 18356 564 1 . 1 1 99 99 SER HA H 99 4.660 4.660 4.724 -0.064 18356 565 1 . 1 1 99 99 SER C C 99 173.000 173.000 173.166 -0.166 18356 566 1 . 1 1 99 99 SER CA C 99 57.700 57.700 57.506 0.194 18356 567 1 . 1 1 99 99 SER CB C 99 65.300 65.300 65.443 -0.143 18356 568 1 . 1 1 99 99 SER H H 99 8.760 8.760 8.576 0.184 18356 569 1 . 1 1 100 100 LYS N N 100 123.800 123.800 121.893 1.907 18356 570 1 . 1 1 100 100 LYS HA H 100 4.260 4.260 4.600 -0.340 18356 571 1 . 1 1 100 100 LYS C C 100 175.600 175.600 175.401 0.199 18356 572 1 . 1 1 100 100 LYS CA C 100 56.900 56.900 55.796 1.104 18356 573 1 . 1 1 100 100 LYS CB C 100 33.000 33.000 33.550 -0.550 18356 574 1 . 1 1 100 100 LYS H H 100 8.280 8.280 8.340 -0.060 18356 575 1 . 1 1 101 101 MET N N 101 123.200 123.200 122.829 0.371 18356 576 1 . 1 1 101 101 MET HA H 101 4.510 4.510 4.654 -0.144 18356 577 1 . 1 1 101 101 MET C C 101 172.700 172.700 173.719 -1.019 18356 578 1 . 1 1 101 101 MET CA C 101 54.600 54.600 54.689 -0.089 18356 579 1 . 1 1 101 101 MET CB C 101 35.900 35.900 37.149 -1.249 18356 580 1 . 1 1 101 101 MET H H 101 8.910 8.910 8.126 0.784 18356 581 1 . 1 1 102 102 ASP N N 102 119.000 119.000 120.382 -1.382 18356 582 1 . 1 1 102 102 ASP HA H 102 5.690 5.690 4.968 0.722 18356 583 1 . 1 1 102 102 ASP C C 102 175.600 175.600 175.252 0.348 18356 584 1 . 1 1 102 102 ASP CA C 102 52.500 52.500 53.340 -0.840 18356 585 1 . 1 1 102 102 ASP CB C 102 42.700 42.700 41.619 1.081 18356 586 1 . 1 1 102 102 ASP H H 102 8.030 8.030 8.406 -0.376 18356 587 1 . 1 1 103 103 LYS N N 103 122.100 122.100 122.546 -0.447 18356 588 1 . 1 1 103 103 LYS HA H 103 4.810 4.810 4.686 0.124 18356 589 1 . 1 1 103 103 LYS C C 103 174.400 174.400 175.202 -0.802 18356 590 1 . 1 1 103 103 LYS CA C 103 53.400 53.400 54.334 -0.934 18356 591 1 . 1 1 103 103 LYS CB C 103 36.500 36.500 35.414 1.086 18356 592 1 . 1 1 103 103 LYS H H 103 9.340 9.340 8.282 1.057 18356 593 1 . 1 1 104 104 ILE N N 104 123.500 123.500 126.493 -2.993 18356 594 1 . 1 1 104 104 ILE HA H 104 3.780 3.780 4.382 -0.602 18356 595 1 . 1 1 104 104 ILE C C 104 175.900 175.900 174.672 1.228 18356 596 1 . 1 1 104 104 ILE CA C 104 61.700 61.700 61.190 0.510 18356 597 1 . 1 1 104 104 ILE CB C 104 37.700 37.700 39.073 -1.373 18356 598 1 . 1 1 104 104 ILE H H 104 8.810 8.810 8.817 -0.007 18356 599 1 . 1 1 105 105 ILE N N 105 119.200 119.200 124.218 -5.018 18356 600 1 . 1 1 105 105 ILE HA H 105 5.310 5.310 4.788 0.522 18356 601 1 . 1 1 105 105 ILE C C 105 174.200 174.200 173.525 0.675 18356 602 1 . 1 1 105 105 ILE CA C 105 59.700 59.700 58.796 0.904 18356 603 1 . 1 1 105 105 ILE CB C 105 39.800 39.800 40.730 -0.930 18356 604 1 . 1 1 105 105 ILE H H 105 8.130 8.130 8.497 -0.367 18356 605 1 . 1 1 106 106 PHE N N 106 125.800 125.800 123.117 2.683 18356 606 1 . 1 1 106 106 PHE HA H 106 5.680 5.680 5.258 0.422 18356 607 1 . 1 1 106 106 PHE C C 106 173.500 173.500 173.379 0.121 18356 608 1 . 1 1 106 106 PHE CA C 106 56.000 56.000 55.939 0.061 18356 609 1 . 1 1 106 106 PHE CB C 106 43.000 43.000 42.597 0.403 18356 610 1 . 1 1 106 106 PHE H H 106 9.570 9.570 8.638 0.932 18356 611 1 . 1 1 107 107 LEU N N 107 125.900 125.900 123.835 2.065 18356 612 1 . 1 1 107 107 LEU HA H 107 5.300 5.300 5.009 0.291 18356 613 1 . 1 1 107 107 LEU C C 107 174.600 174.600 175.161 -0.561 18356 614 1 . 1 1 107 107 LEU CA C 107 53.300 53.300 52.493 0.807 18356 615 1 . 1 1 107 107 LEU CB C 107 44.400 44.400 44.161 0.239 18356 616 1 . 1 1 107 107 LEU H H 107 9.320 9.320 7.988 1.332 18356 617 1 . 1 1 108 108 GLN N N 108 124.800 124.800 121.162 3.638 18356 618 1 . 1 1 108 108 GLN HA H 108 4.670 4.670 4.612 0.058 18356 619 1 . 1 1 108 108 GLN C C 108 173.900 173.900 175.121 -1.220 18356 620 1 . 1 1 108 108 GLN CA C 108 55.500 55.500 55.017 0.484 18356 621 1 . 1 1 108 108 GLN CB C 108 30.200 30.200 29.725 0.475 18356 622 1 . 1 1 108 108 GLN H H 108 8.620 8.620 8.472 0.148 18356 623 1 . 1 1 109 109 ILE N N 109 128.400 128.400 125.854 2.546 18356 624 1 . 1 1 109 109 ILE HA H 109 4.340 4.340 4.408 -0.068 18356 625 1 . 1 1 109 109 ILE C C 109 173.800 173.800 174.937 -1.137 18356 626 1 . 1 1 109 109 ILE CA C 109 61.500 61.500 59.081 2.419 18356 627 1 . 1 1 109 109 ILE CB C 109 37.600 37.600 36.612 0.988 18356 628 1 . 1 1 109 109 ILE H H 109 8.550 8.550 8.525 0.025 18356 629 1 . 1 1 110 110 CYS N N 110 125.800 125.800 126.903 -1.103 18356 630 1 . 1 1 110 110 CYS HA H 110 5.340 5.340 4.725 0.615 18356 631 1 . 1 1 110 110 CYS C C 110 171.200 171.200 172.406 -1.206 18356 632 1 . 1 1 110 110 CYS CA C 110 54.400 54.400 55.657 -1.257 18356 633 1 . 1 1 110 110 CYS CB C 110 29.400 29.400 30.272 -0.872 18356 634 1 . 1 1 110 110 CYS H H 110 8.330 8.330 8.346 -0.016 18356 635 1 . 1 1 111 111 PRO HA H 111 4.470 4.470 4.519 -0.049 18356 636 1 . 1 1 111 111 PRO CA C 111 59.500 59.500 62.775 -3.275 18356 637 1 . 1 1 112 112 ASP N N 112 120.600 120.600 123.119 -2.519 18356 638 1 . 1 1 112 112 ASP HA H 112 4.260 4.260 4.414 -0.154 18356 639 1 . 1 1 112 112 ASP C C 112 177.400 177.400 177.906 -0.506 18356 640 1 . 1 1 112 112 ASP CA C 112 57.700 57.700 56.618 1.083 18356 641 1 . 1 1 112 112 ASP CB C 112 41.300 41.300 40.903 0.397 18356 642 1 . 1 1 112 112 ASP H H 112 8.390 8.390 8.678 -0.288 18356 643 1 . 1 1 113 113 GLY N N 113 103.400 103.400 107.478 -4.078 18356 644 1 . 1 1 113 113 GLY C C 113 174.500 174.500 173.653 0.847 18356 645 1 . 1 1 113 113 GLY CA C 113 45.500 45.500 44.777 0.723 18356 646 1 . 1 1 113 113 GLY H H 113 8.520 8.520 8.381 0.139 18356 647 1 . 1 1 114 114 ALA N N 114 122.000 122.000 123.962 -1.962 18356 648 1 . 1 1 114 114 ALA HA H 114 4.360 4.360 4.524 -0.164 18356 649 1 . 1 1 114 114 ALA C C 114 176.200 176.200 176.165 0.035 18356 650 1 . 1 1 114 114 ALA CA C 114 51.000 51.000 51.072 -0.072 18356 651 1 . 1 1 114 114 ALA CB C 114 20.500 20.500 20.624 -0.124 18356 652 1 . 1 1 114 114 ALA H H 114 7.560 7.560 7.561 -0.001 18356 653 1 . 1 1 115 115 SER N N 115 115.900 115.900 115.530 0.370 18356 654 1 . 1 1 115 115 SER HA H 115 4.400 4.400 4.354 0.046 18356 655 1 . 1 1 115 115 SER C C 115 175.600 175.600 175.906 -0.306 18356 656 1 . 1 1 115 115 SER CA C 115 57.700 57.700 58.915 -1.215 18356 657 1 . 1 1 115 115 SER CB C 115 64.400 64.400 63.600 0.800 18356 658 1 . 1 1 115 115 SER H H 115 8.620 8.620 8.497 0.123 18356 659 1 . 1 1 116 116 ILE N N 116 123.700 123.700 126.754 -3.054 18356 660 1 . 1 1 116 116 ILE HA H 116 4.740 4.740 3.868 0.872 18356 661 1 . 1 1 116 116 ILE C C 116 177.600 177.600 176.898 0.702 18356 662 1 . 1 1 116 116 ILE CA C 116 61.900 61.900 64.297 -2.397 18356 663 1 . 1 1 116 116 ILE CB C 116 37.800 37.800 38.173 -0.374 18356 664 1 . 1 1 116 116 ILE H H 116 8.810 8.810 8.718 0.092 18356 665 1 . 1 1 117 117 LYS N N 117 119.200 119.200 118.650 0.550 18356 666 1 . 1 1 117 117 LYS HA H 117 4.080 4.080 4.082 -0.002 18356 667 1 . 1 1 117 117 LYS C C 117 179.400 179.400 178.589 0.811 18356 668 1 . 1 1 117 117 LYS CA C 117 59.600 59.600 58.987 0.613 18356 669 1 . 1 1 117 117 LYS CB C 117 32.700 32.700 31.093 1.607 18356 670 1 . 1 1 117 117 LYS H H 117 8.140 8.140 8.430 -0.290 18356 671 1 . 1 1 118 118 LYS N N 118 118.700 118.700 119.394 -0.694 18356 672 1 . 1 1 118 118 LYS HA H 118 4.290 4.290 4.072 0.218 18356 673 1 . 1 1 118 118 LYS C C 118 178.700 178.700 178.825 -0.125 18356 674 1 . 1 1 118 118 LYS CA C 118 58.500 58.500 58.491 0.009 18356 675 1 . 1 1 118 118 LYS CB C 118 32.500 32.500 31.789 0.711 18356 676 1 . 1 1 118 118 LYS H H 118 7.570 7.570 7.658 -0.088 18356 677 1 . 1 1 119 119 LYS N N 119 118.900 118.900 119.532 -0.632 18356 678 1 . 1 1 119 119 LYS HA H 119 4.340 4.340 4.421 -0.081 18356 679 1 . 1 1 119 119 LYS C C 119 179.600 179.600 178.902 0.698 18356 680 1 . 1 1 119 119 LYS CA C 119 61.300 61.300 59.043 2.257 18356 681 1 . 1 1 119 119 LYS CB C 119 32.300 32.300 32.146 0.154 18356 682 1 . 1 1 119 119 LYS H H 119 8.450 8.450 7.686 0.764 18356 683 1 . 1 1 120 120 MET N N 120 117.400 117.400 117.966 -0.566 18356 684 1 . 1 1 120 120 MET HA H 120 4.290 4.290 4.314 -0.024 18356 685 1 . 1 1 120 120 MET C C 120 179.500 179.500 178.155 1.345 18356 686 1 . 1 1 120 120 MET CA C 120 59.100 59.100 57.977 1.123 18356 687 1 . 1 1 120 120 MET CB C 120 32.400 32.400 32.718 -0.318 18356 688 1 . 1 1 120 120 MET H H 120 8.420 8.420 7.575 0.845 18356 689 1 . 1 1 121 121 VAL N N 121 121.800 121.800 119.854 1.947 18356 690 1 . 1 1 121 121 VAL HA H 121 3.980 3.980 3.707 0.273 18356 691 1 . 1 1 121 121 VAL C C 121 179.200 179.200 178.543 0.657 18356 692 1 . 1 1 121 121 VAL CA C 121 66.200 66.200 66.641 -0.441 18356 693 1 . 1 1 121 121 VAL CB C 121 32.300 32.300 31.307 0.993 18356 694 1 . 1 1 121 121 VAL H H 121 8.000 8.000 8.118 -0.118 18356 695 1 . 1 1 122 122 TYR N N 122 121.300 121.300 119.425 1.875 18356 696 1 . 1 1 122 122 TYR HA H 122 4.230 4.230 4.368 -0.138 18356 697 1 . 1 1 122 122 TYR C C 122 180.700 180.700 177.307 3.393 18356 698 1 . 1 1 122 122 TYR CA C 122 61.400 61.400 60.307 1.093 18356 699 1 . 1 1 122 122 TYR CB C 122 38.300 38.300 37.093 1.207 18356 700 1 . 1 1 122 122 TYR H H 122 8.610 8.610 8.493 0.117 18356 701 1 . 1 1 123 123 ALA N N 123 124.000 124.000 122.156 1.844 18356 702 1 . 1 1 123 123 ALA HA H 123 4.360 4.360 3.688 0.672 18356 703 1 . 1 1 123 123 ALA C C 123 180.800 180.800 179.481 1.319 18356 704 1 . 1 1 123 123 ALA CA C 123 55.800 55.800 54.862 0.938 18356 705 1 . 1 1 123 123 ALA CB C 123 18.200 18.200 17.810 0.390 18356 706 1 . 1 1 123 123 ALA H H 123 8.760 8.760 7.816 0.944 18356 707 1 . 1 1 124 124 SER N N 124 113.200 113.200 112.343 0.858 18356 708 1 . 1 1 124 124 SER HA H 124 4.340 4.340 4.301 0.039 18356 709 1 . 1 1 124 124 SER C C 124 176.400 176.400 175.866 0.534 18356 710 1 . 1 1 124 124 SER CA C 124 61.500 61.500 60.300 1.201 18356 711 1 . 1 1 124 124 SER CB C 124 63.300 63.300 62.906 0.394 18356 712 1 . 1 1 124 124 SER H H 124 8.500 8.500 8.002 0.498 18356 713 1 . 1 1 125 125 SER N N 125 115.200 115.200 117.564 -2.364 18356 714 1 . 1 1 125 125 SER HA H 125 4.460 4.460 4.415 0.045 18356 715 1 . 1 1 125 125 SER C C 125 173.100 173.100 175.427 -2.327 18356 716 1 . 1 1 125 125 SER CA C 125 59.400 59.400 61.193 -1.793 18356 717 1 . 1 1 125 125 SER CB C 125 63.400 63.400 63.540 -0.140 18356 718 1 . 1 1 125 125 SER H H 125 7.480 7.480 7.483 -0.003 18356 719 1 . 1 1 126 126 ALA N N 126 122.600 122.600 124.073 -1.473 18356 720 1 . 1 1 126 126 ALA HA H 126 3.780 3.780 4.012 -0.232 18356 721 1 . 1 1 126 126 ALA C C 126 178.600 178.600 178.855 -0.255 18356 722 1 . 1 1 126 126 ALA CA C 126 54.900 54.900 54.730 0.170 18356 723 1 . 1 1 126 126 ALA CB C 126 18.700 18.700 18.135 0.565 18356 724 1 . 1 1 126 126 ALA H H 126 7.100 7.100 8.252 -1.152 18356 725 1 . 1 1 127 127 ALA N N 127 118.800 118.800 120.182 -1.382 18356 726 1 . 1 1 127 127 ALA HA H 127 3.860 3.860 3.867 -0.007 18356 727 1 . 1 1 127 127 ALA C C 127 179.700 179.700 178.609 1.091 18356 728 1 . 1 1 127 127 ALA CA C 127 55.200 55.200 54.918 0.282 18356 729 1 . 1 1 127 127 ALA CB C 127 17.700 17.700 18.265 -0.565 18356 730 1 . 1 1 127 127 ALA H H 127 8.480 8.480 7.907 0.573 18356 731 1 . 1 1 128 128 ALA N N 128 120.700 120.700 121.099 -0.399 18356 732 1 . 1 1 128 128 ALA HA H 128 3.990 3.990 4.016 -0.026 18356 733 1 . 1 1 128 128 ALA C C 128 180.600 180.600 179.039 1.561 18356 734 1 . 1 1 128 128 ALA CA C 128 55.100 55.100 54.652 0.448 18356 735 1 . 1 1 128 128 ALA CB C 128 17.900 17.900 18.526 -0.626 18356 736 1 . 1 1 128 128 ALA H H 128 7.800 7.800 7.421 0.379 18356 737 1 . 1 1 129 129 ILE N N 129 114.900 114.900 118.898 -3.998 18356 738 1 . 1 1 129 129 ILE HA H 129 3.780 3.780 3.724 0.056 18356 739 1 . 1 1 129 129 ILE C C 129 176.100 176.100 177.426 -1.326 18356 740 1 . 1 1 129 129 ILE CA C 129 63.300 63.300 63.207 0.093 18356 741 1 . 1 1 129 129 ILE CB C 129 37.200 37.200 37.447 -0.247 18356 742 1 . 1 1 129 129 ILE H H 129 7.180 7.180 7.495 -0.315 18356 743 1 . 1 1 130 130 LYS N N 130 122.400 122.400 119.725 2.675 18356 744 1 . 1 1 130 130 LYS HA H 130 3.870 3.870 3.430 0.440 18356 745 1 . 1 1 130 130 LYS C C 130 178.400 178.400 178.207 0.194 18356 746 1 . 1 1 130 130 LYS CA C 130 61.100 61.100 59.414 1.686 18356 747 1 . 1 1 130 130 LYS CB C 130 31.500 31.500 31.699 -0.199 18356 748 1 . 1 1 130 130 LYS H H 130 7.870 7.870 8.146 -0.276 18356 749 1 . 1 1 131 131 THR N N 131 113.000 113.000 115.107 -2.107 18356 750 1 . 1 1 131 131 THR HA H 131 3.870 3.870 4.056 -0.186 18356 751 1 . 1 1 131 131 THR C C 131 176.300 176.300 176.312 -0.013 18356 752 1 . 1 1 131 131 THR CA C 131 65.900 65.900 65.591 0.309 18356 753 1 . 1 1 131 131 THR CB C 131 68.700 68.700 68.218 0.482 18356 754 1 . 1 1 131 131 THR H H 131 8.000 8.000 7.669 0.331 18356 755 1 . 1 1 132 132 SER N N 132 117.300 117.300 115.929 1.371 18356 756 1 . 1 1 132 132 SER HA H 132 4.100 4.100 4.261 -0.162 18356 757 1 . 1 1 132 132 SER C C 132 174.900 174.900 175.019 -0.119 18356 758 1 . 1 1 132 132 SER CA C 132 61.900 61.900 60.976 0.924 18356 759 1 . 1 1 132 132 SER CB C 132 63.300 63.300 63.256 0.043 18356 760 1 . 1 1 132 132 SER H H 132 7.290 7.290 7.550 -0.260 18356 761 1 . 1 1 133 133 LEU N N 133 118.100 118.100 114.081 4.019 18356 762 1 . 1 1 133 133 LEU HA H 133 3.700 3.700 4.563 -0.863 18356 763 1 . 1 1 133 133 LEU C C 133 176.600 176.600 176.528 0.072 18356 764 1 . 1 1 133 133 LEU CA C 133 56.300 56.300 55.078 1.222 18356 765 1 . 1 1 133 133 LEU CB C 133 40.400 40.400 42.594 -2.195 18356 766 1 . 1 1 133 133 LEU H H 133 7.330 7.330 7.184 0.146 18356 767 1 . 1 1 134 134 GLY N N 134 105.600 105.600 105.321 0.279 18356 768 1 . 1 1 134 134 GLY C C 134 174.800 174.800 174.302 0.498 18356 769 1 . 1 1 134 134 GLY CA C 134 45.300 45.300 45.624 -0.324 18356 770 1 . 1 1 134 134 GLY H H 134 7.420 7.420 8.045 -0.625 18356 771 1 . 1 1 135 135 THR N N 135 116.600 116.600 115.916 0.684 18356 772 1 . 1 1 135 135 THR HA H 135 3.870 3.870 3.886 -0.016 18356 773 1 . 1 1 135 135 THR C C 135 176.000 176.000 174.487 1.513 18356 774 1 . 1 1 135 135 THR CA C 135 63.900 63.900 65.061 -1.161 18356 775 1 . 1 1 135 135 THR CB C 135 68.600 68.600 68.430 0.170 18356 776 1 . 1 1 135 135 THR H H 135 8.450 8.450 8.176 0.274 18356 777 1 . 1 1 136 136 GLY N N 136 109.300 109.300 107.149 2.151 18356 778 1 . 1 1 136 136 GLY C C 136 175.000 175.000 173.943 1.057 18356 779 1 . 1 1 136 136 GLY CA C 136 45.700 45.700 45.177 0.523 18356 780 1 . 1 1 136 136 GLY H H 136 8.720 8.720 8.161 0.559 18356 781 1 . 1 1 137 137 LYS N N 137 118.500 118.500 119.216 -0.716 18356 782 1 . 1 1 137 137 LYS HA H 137 4.500 4.500 4.433 0.067 18356 783 1 . 1 1 137 137 LYS C C 137 176.200 176.200 175.946 0.254 18356 784 1 . 1 1 137 137 LYS CA C 137 56.300 56.300 56.414 -0.114 18356 785 1 . 1 1 137 137 LYS CB C 137 34.100 34.100 32.886 1.213 18356 786 1 . 1 1 137 137 LYS H H 137 8.110 8.110 8.138 -0.028 18356 787 1 . 1 1 138 138 ILE N N 138 111.400 111.400 114.601 -3.201 18356 788 1 . 1 1 138 138 ILE HA H 138 5.050 5.050 4.594 0.456 18356 789 1 . 1 1 138 138 ILE C C 138 174.700 174.700 174.584 0.116 18356 790 1 . 1 1 138 138 ILE CA C 138 59.500 59.500 58.890 0.610 18356 791 1 . 1 1 138 138 ILE CB C 138 41.600 41.600 40.784 0.816 18356 792 1 . 1 1 138 138 ILE H H 138 7.270 7.270 7.153 0.117 18356 793 1 . 1 1 139 139 LEU N N 139 124.600 124.600 124.052 0.548 18356 794 1 . 1 1 139 139 LEU HA H 139 4.690 4.690 4.688 0.002 18356 795 1 . 1 1 139 139 LEU C C 139 175.600 175.600 175.428 0.172 18356 796 1 . 1 1 139 139 LEU CA C 139 54.200 54.200 53.826 0.374 18356 797 1 . 1 1 139 139 LEU CB C 139 43.800 43.800 42.234 1.565 18356 798 1 . 1 1 139 139 LEU H H 139 8.450 8.450 8.407 0.043 18356 799 1 . 1 1 140 140 GLN N N 140 123.500 123.500 122.983 0.517 18356 800 1 . 1 1 140 140 GLN HA H 140 5.350 5.350 5.602 -0.252 18356 801 1 . 1 1 140 140 GLN C C 140 174.900 174.900 174.979 -0.079 18356 802 1 . 1 1 140 140 GLN CA C 140 55.800 55.800 53.984 1.816 18356 803 1 . 1 1 140 140 GLN CB C 140 30.900 30.900 31.012 -0.112 18356 804 1 . 1 1 140 140 GLN H H 140 8.590 8.590 8.310 0.280 18356 805 1 . 1 1 141 141 PHE N N 141 120.500 120.500 120.477 0.023 18356 806 1 . 1 1 141 141 PHE HA H 141 4.870 4.870 4.775 0.095 18356 807 1 . 1 1 141 141 PHE C C 141 174.700 174.700 173.635 1.065 18356 808 1 . 1 1 141 141 PHE CA C 141 57.300 57.300 57.038 0.262 18356 809 1 . 1 1 141 141 PHE CB C 141 42.800 42.800 42.778 0.022 18356 810 1 . 1 1 141 141 PHE H H 141 9.280 9.280 8.408 0.872 18356 811 1 . 1 1 142 142 GLN N N 142 123.700 123.700 124.687 -0.987 18356 812 1 . 1 1 142 142 GLN HA H 142 4.880 4.880 4.789 0.091 18356 813 1 . 1 1 142 142 GLN C C 142 174.900 174.900 174.879 0.021 18356 814 1 . 1 1 142 142 GLN CA C 142 55.500 55.500 54.938 0.562 18356 815 1 . 1 1 142 142 GLN CB C 142 30.200 30.200 30.317 -0.117 18356 816 1 . 1 1 142 142 GLN H H 142 9.080 9.080 8.547 0.533 18356 817 1 . 1 1 143 143 VAL N N 143 120.900 120.900 122.342 -1.442 18356 818 1 . 1 1 143 143 VAL HA H 143 4.600 4.600 4.627 -0.027 18356 819 1 . 1 1 143 143 VAL C C 143 174.800 174.800 174.718 0.082 18356 820 1 . 1 1 143 143 VAL CA C 143 60.900 60.900 60.303 0.597 18356 821 1 . 1 1 143 143 VAL CB C 143 35.700 35.700 34.226 1.474 18356 822 1 . 1 1 143 143 VAL H H 143 8.560 8.560 8.614 -0.054 18356 823 1 . 1 1 144 144 SER N N 144 120.500 120.500 118.583 1.917 18356 824 1 . 1 1 144 144 SER HA H 144 4.740 4.740 4.619 0.121 18356 825 1 . 1 1 144 144 SER C C 144 173.200 173.200 173.998 -0.798 18356 826 1 . 1 1 144 144 SER CA C 144 58.200 58.200 58.559 -0.360 18356 827 1 . 1 1 144 144 SER CB C 144 65.600 65.600 64.218 1.382 18356 828 1 . 1 1 144 144 SER H H 144 9.640 9.640 8.700 0.940 18356 829 1 . 1 1 145 145 ASP N N 145 118.600 118.600 121.385 -2.785 18356 830 1 . 1 1 145 145 ASP HA H 145 4.700 4.700 4.700 0.000 18356 831 1 . 1 1 145 145 ASP C C 145 175.500 175.500 176.463 -0.963 18356 832 1 . 1 1 145 145 ASP CA C 145 53.300 53.300 53.397 -0.097 18356 833 1 . 1 1 145 145 ASP CB C 145 44.100 44.100 42.742 1.357 18356 834 1 . 1 1 145 145 ASP H H 145 7.760 7.760 7.918 -0.158 18356 835 1 . 1 1 146 146 GLU N N 146 119.900 119.900 123.433 -3.533 18356 836 1 . 1 1 146 146 GLU HA H 146 3.780 3.780 4.122 -0.342 18356 837 1 . 1 1 146 146 GLU C C 146 177.800 177.800 177.597 0.203 18356 838 1 . 1 1 146 146 GLU CA C 146 59.700 59.700 58.931 0.769 18356 839 1 . 1 1 146 146 GLU CB C 146 29.800 29.800 29.661 0.139 18356 840 1 . 1 1 146 146 GLU H H 146 8.950 8.950 8.800 0.150 18356 841 1 . 1 1 147 147 SER N N 147 116.700 116.700 115.062 1.638 18356 842 1 . 1 1 147 147 SER HA H 147 4.190 4.190 4.292 -0.102 18356 843 1 . 1 1 147 147 SER C C 147 176.600 176.600 175.993 0.607 18356 844 1 . 1 1 147 147 SER CA C 147 61.500 61.500 60.867 0.633 18356 845 1 . 1 1 147 147 SER CB C 147 60.100 60.100 62.933 -2.833 18356 846 1 . 1 1 147 147 SER H H 147 8.660 8.660 8.272 0.388 18356 847 1 . 1 1 148 148 GLU N N 148 120.300 120.300 120.634 -0.334 18356 848 1 . 1 1 148 148 GLU HA H 148 4.160 4.160 4.179 -0.019 18356 849 1 . 1 1 148 148 GLU C C 148 176.200 176.200 176.802 -0.602 18356 850 1 . 1 1 148 148 GLU CA C 148 57.600 57.600 57.502 0.098 18356 851 1 . 1 1 148 148 GLU CB C 148 30.900 30.900 29.219 1.681 18356 852 1 . 1 1 148 148 GLU H H 148 7.940 7.940 8.004 -0.064 18356 853 1 . 1 1 149 149 MET N N 149 116.000 116.000 118.334 -2.334 18356 854 1 . 1 1 149 149 MET HA H 149 4.530 4.530 4.513 0.017 18356 855 1 . 1 1 149 149 MET C C 149 173.000 173.000 175.786 -2.786 18356 856 1 . 1 1 149 149 MET CA C 149 53.400 53.400 55.395 -1.996 18356 857 1 . 1 1 149 149 MET CB C 149 32.900 32.900 32.160 0.740 18356 858 1 . 1 1 149 149 MET H H 149 7.500 7.500 7.507 -0.007 18356 859 1 . 1 1 150 150 SER N N 150 112.400 112.400 115.342 -2.942 18356 860 1 . 1 1 150 150 SER HA H 150 4.710 4.710 4.702 0.009 18356 861 1 . 1 1 150 150 SER C C 150 174.100 174.100 175.013 -0.913 18356 862 1 . 1 1 150 150 SER CA C 150 56.900 56.900 56.704 0.196 18356 863 1 . 1 1 150 150 SER CB C 150 65.300 65.300 65.094 0.206 18356 864 1 . 1 1 150 150 SER H H 150 7.100 7.100 7.720 -0.620 18356 865 1 . 1 1 151 151 HIS N N 151 125.700 125.700 122.089 3.611 18356 866 1 . 1 1 151 151 HIS HA H 151 4.670 4.670 4.154 0.516 18356 867 1 . 1 1 151 151 HIS C C 151 175.900 175.900 176.622 -0.722 18356 868 1 . 1 1 151 151 HIS CA C 151 62.300 62.300 58.678 3.622 18356 869 1 . 1 1 151 151 HIS CB C 151 31.900 31.900 29.204 2.696 18356 870 1 . 1 1 151 151 HIS H H 151 9.510 9.510 8.674 0.836 18356 871 1 . 1 1 152 152 LYS N N 152 115.700 115.700 120.559 -4.859 18356 872 1 . 1 1 152 152 LYS HA H 152 3.690 3.690 3.790 -0.100 18356 873 1 . 1 1 152 152 LYS C C 152 178.700 178.700 178.473 0.227 18356 874 1 . 1 1 152 152 LYS CA C 152 59.200 59.200 58.990 0.210 18356 875 1 . 1 1 152 152 LYS CB C 152 32.700 32.700 31.375 1.326 18356 876 1 . 1 1 152 152 LYS H H 152 8.380 8.380 7.710 0.670 18356 877 1 . 1 1 153 153 GLU N N 153 117.400 117.400 118.973 -1.573 18356 878 1 . 1 1 153 153 GLU HA H 153 4.070 4.070 4.189 -0.119 18356 879 1 . 1 1 153 153 GLU C C 153 179.100 179.100 178.403 0.697 18356 880 1 . 1 1 153 153 GLU CA C 153 58.500 58.500 57.429 1.070 18356 881 1 . 1 1 153 153 GLU CB C 153 29.300 29.300 29.787 -0.487 18356 882 1 . 1 1 153 153 GLU H H 153 7.360 7.360 7.873 -0.513 18356 883 1 . 1 1 154 154 LEU N N 154 121.200 121.200 122.080 -0.880 18356 884 1 . 1 1 154 154 LEU HA H 154 3.530 3.530 3.863 -0.333 18356 885 1 . 1 1 154 154 LEU C C 154 178.300 178.300 178.089 0.211 18356 886 1 . 1 1 154 154 LEU CA C 154 57.300 57.300 58.210 -0.910 18356 887 1 . 1 1 154 154 LEU CB C 154 40.500 40.500 41.877 -1.376 18356 888 1 . 1 1 154 154 LEU H H 154 7.730 7.730 7.445 0.285 18356 889 1 . 1 1 155 155 LEU N N 155 118.500 118.500 114.001 4.499 18356 890 1 . 1 1 155 155 LEU HA H 155 3.410 3.410 4.163 -0.753 18356 891 1 . 1 1 155 155 LEU C C 155 179.900 179.900 178.345 1.555 18356 892 1 . 1 1 155 155 LEU CA C 155 57.600 57.600 57.144 0.456 18356 893 1 . 1 1 155 155 LEU CB C 155 41.200 41.200 40.966 0.234 18356 894 1 . 1 1 155 155 LEU H H 155 8.350 8.350 7.618 0.732 18356 895 1 . 1 1 156 156 ASN N N 156 117.900 117.900 119.122 -1.222 18356 896 1 . 1 1 156 156 ASN HA H 156 4.360 4.360 4.374 -0.014 18356 897 1 . 1 1 156 156 ASN C C 156 178.000 178.000 177.162 0.838 18356 898 1 . 1 1 156 156 ASN CA C 156 56.300 56.300 56.595 -0.295 18356 899 1 . 1 1 156 156 ASN CB C 156 38.400 38.400 38.523 -0.123 18356 900 1 . 1 1 156 156 ASN H H 156 7.750 7.750 7.726 0.024 18356 901 1 . 1 1 157 157 LYS N N 157 119.800 119.800 119.373 0.427 18356 902 1 . 1 1 157 157 LYS HA H 157 4.080 4.080 4.025 0.055 18356 903 1 . 1 1 157 157 LYS C C 157 179.800 179.800 178.546 1.254 18356 904 1 . 1 1 157 157 LYS CA C 157 59.100 59.100 58.732 0.368 18356 905 1 . 1 1 157 157 LYS CB C 157 32.500 32.500 31.579 0.921 18356 906 1 . 1 1 157 157 LYS H H 157 7.770 7.770 7.880 -0.110 18356 907 1 . 1 1 158 158 LEU N N 158 120.900 120.900 121.100 -0.200 18356 908 1 . 1 1 158 158 LEU HA H 158 3.950 3.950 4.077 -0.127 18356 909 1 . 1 1 158 158 LEU C C 158 179.000 179.000 178.314 0.686 18356 910 1 . 1 1 158 158 LEU CA C 158 57.800 57.800 57.205 0.595 18356 911 1 . 1 1 158 158 LEU CB C 158 41.200 41.200 41.500 -0.300 18356 912 1 . 1 1 158 158 LEU H H 158 8.200 8.200 7.358 0.842 18356 913 1 . 1 1 159 159 GLY N N 159 106.500 106.500 105.454 1.046 18356 914 1 . 1 1 159 159 GLY C C 159 176.300 176.300 175.678 0.622 18356 915 1 . 1 1 159 159 GLY CA C 159 46.900 46.900 46.666 0.234 18356 916 1 . 1 1 159 159 GLY H H 159 8.290 8.290 7.891 0.399 18356 917 1 . 1 1 160 160 GLU N N 160 120.700 120.700 121.280 -0.580 18356 918 1 . 1 1 160 160 GLU HA H 160 4.070 4.070 4.070 0.001 18356 919 1 . 1 1 160 160 GLU C C 160 177.800 177.800 178.322 -0.522 18356 920 1 . 1 1 160 160 GLU CA C 160 58.300 58.300 59.008 -0.708 18356 921 1 . 1 1 160 160 GLU CB C 160 30.000 30.000 29.718 0.282 18356 922 1 . 1 1 160 160 GLU H H 160 7.850 7.850 8.028 -0.178 18356 923 1 . 1 1 161 161 LYS N N 161 118.100 118.100 117.030 1.070 18356 924 1 . 1 1 161 161 LYS HA H 161 4.070 4.070 4.164 -0.094 18356 925 1 . 1 1 161 161 LYS C C 161 177.600 177.600 178.269 -0.669 18356 926 1 . 1 1 161 161 LYS CA C 161 57.800 57.800 57.492 0.308 18356 927 1 . 1 1 161 161 LYS CB C 161 33.200 33.200 32.235 0.965 18356 928 1 . 1 1 161 161 LYS H H 161 7.660 7.660 7.886 -0.226 18356 929 1 . 1 1 162 162 TYR N N 162 115.400 115.400 118.470 -3.070 18356 930 1 . 1 1 162 162 TYR HA H 162 4.750 4.750 4.430 0.320 18356 931 1 . 1 1 162 162 TYR C C 162 176.000 176.000 176.166 -0.167 18356 932 1 . 1 1 162 162 TYR CA C 162 59.000 59.000 58.768 0.232 18356 933 1 . 1 1 162 162 TYR CB C 162 39.800 39.800 39.368 0.431 18356 934 1 . 1 1 162 162 TYR H H 162 8.090 8.090 7.681 0.409 18356 935 1 . 1 1 163 163 GLY N N 163 109.000 109.000 106.463 2.537 18356 936 1 . 1 1 163 163 GLY C C 163 173.500 173.500 174.041 -0.541 18356 937 1 . 1 1 163 163 GLY CA C 163 45.500 45.500 44.378 1.121 18356 938 1 . 1 1 163 163 GLY H H 163 8.090 8.090 7.656 0.434 18356 939 1 . 1 1 164 164 ASP N N 164 120.100 120.100 120.195 -0.095 18356 940 1 . 1 1 164 164 ASP HA H 164 4.640 4.640 4.415 0.225 18356 941 1 . 1 1 164 164 ASP C C 164 175.300 175.300 175.064 0.236 18356 942 1 . 1 1 164 164 ASP CA C 164 54.600 54.600 55.559 -0.959 18356 943 1 . 1 1 164 164 ASP CB C 164 41.700 41.700 40.963 0.737 18356 944 1 . 1 1 164 164 ASP H H 164 8.320 8.320 8.098 0.222 18356 stop_ save_