data_25449 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25449 _Entry.PDB_ID 2MYF 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 25449 _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 -1 -1 SER N N -1 115.600 115.600 116.949 -1.349 25449 2 1 1 . 1 1 -1 -1 SER HA H -1 4.410 4.410 4.570 -0.160 25449 3 1 1 . 1 1 -1 -1 SER C C -1 172.000 172.000 174.443 -2.443 25449 4 1 1 . 1 1 -1 -1 SER CA C -1 58.200 58.200 58.490 -0.290 25449 5 1 1 . 1 1 -1 -1 SER CB C -1 63.900 63.900 64.489 -0.589 25449 6 1 1 . 1 1 -1 -1 SER H H -1 8.670 8.670 8.702 -0.032 25449 7 1 1 . 1 1 0 0 HIS N N 0 121.200 121.200 119.512 1.688 25449 8 1 1 . 1 1 0 0 HIS HA H 0 4.590 4.590 4.689 -0.099 25449 9 1 1 . 1 1 0 0 HIS C C 0 174.800 174.800 173.503 1.297 25449 10 1 1 . 1 1 0 0 HIS CA C 0 56.100 56.100 56.255 -0.155 25449 11 1 1 . 1 1 0 0 HIS CB C 0 29.900 29.900 31.718 -1.818 25449 12 1 1 . 1 1 0 0 HIS H H 0 8.730 8.730 8.057 0.673 25449 13 1 1 . 1 1 1 1 MET N N 1 121.800 121.800 123.200 -1.400 25449 14 1 1 . 1 1 1 1 MET HA H 1 4.370 4.370 4.594 -0.224 25449 15 1 1 . 1 1 1 1 MET C C 1 176.300 176.300 176.203 0.097 25449 16 1 1 . 1 1 1 1 MET CA C 1 55.700 55.700 55.094 0.606 25449 17 1 1 . 1 1 1 1 MET CB C 1 32.800 32.800 33.136 -0.336 25449 18 1 1 . 1 1 1 1 MET H H 1 8.450 8.450 8.460 -0.010 25449 19 1 1 . 1 1 2 2 SER N N 2 116.700 116.700 121.026 -4.326 25449 20 1 1 . 1 1 2 2 SER HA H 2 4.370 4.370 4.684 -0.314 25449 21 1 1 . 1 1 2 2 SER C C 2 174.200 174.200 173.425 0.775 25449 22 1 1 . 1 1 2 2 SER CA C 2 58.400 58.400 58.060 0.340 25449 23 1 1 . 1 1 2 2 SER CB C 2 63.800 63.800 63.668 0.132 25449 24 1 1 . 1 1 2 2 SER H H 2 8.410 8.410 8.731 -0.321 25449 25 1 1 . 1 1 3 3 ASP N N 3 122.100 122.100 125.262 -3.162 25449 26 1 1 . 1 1 3 3 ASP HA H 3 4.550 4.550 4.831 -0.281 25449 27 1 1 . 1 1 3 3 ASP C C 3 176.100 176.100 174.700 1.400 25449 28 1 1 . 1 1 3 3 ASP CA C 3 54.500 54.500 53.720 0.780 25449 29 1 1 . 1 1 3 3 ASP CB C 3 41.200 41.200 41.063 0.137 25449 30 1 1 . 1 1 3 3 ASP H H 3 8.340 8.340 8.757 -0.417 25449 31 1 1 . 1 1 4 4 ASN N N 4 119.100 119.100 121.783 -2.683 25449 32 1 1 . 1 1 4 4 ASN HA H 4 4.580 4.580 4.697 -0.117 25449 33 1 1 . 1 1 4 4 ASN C C 4 174.900 174.900 174.215 0.685 25449 34 1 1 . 1 1 4 4 ASN CA C 4 53.700 53.700 52.333 1.367 25449 35 1 1 . 1 1 4 4 ASN CB C 4 38.900 38.900 38.931 -0.031 25449 36 1 1 . 1 1 4 4 ASN H H 4 8.420 8.420 8.196 0.224 25449 37 1 1 . 1 1 5 5 ASN N N 5 118.400 118.400 116.831 1.569 25449 38 1 1 . 1 1 5 5 ASN HA H 5 4.540 4.540 4.548 -0.008 25449 39 1 1 . 1 1 5 5 ASN C C 5 173.900 173.900 174.704 -0.804 25449 40 1 1 . 1 1 5 5 ASN CA C 5 53.200 53.200 52.774 0.426 25449 41 1 1 . 1 1 5 5 ASN CB C 5 38.700 38.700 37.477 1.223 25449 42 1 1 . 1 1 5 5 ASN H H 5 8.340 8.340 8.394 -0.054 25449 43 1 1 . 1 1 6 6 ALA N N 6 122.100 122.100 123.476 -1.376 25449 44 1 1 . 1 1 6 6 ALA HA H 6 2.740 2.740 3.996 -1.256 25449 45 1 1 . 1 1 6 6 ALA C C 6 177.000 177.000 176.739 0.261 25449 46 1 1 . 1 1 6 6 ALA CA C 6 52.300 52.300 52.709 -0.409 25449 47 1 1 . 1 1 6 6 ALA CB C 6 20.000 20.000 18.518 1.482 25449 48 1 1 . 1 1 6 6 ALA H H 6 7.590 7.590 7.476 0.114 25449 49 1 1 . 1 1 7 7 THR N N 7 112.700 112.700 118.960 -6.260 25449 50 1 1 . 1 1 7 7 THR HA H 7 4.390 4.390 4.350 0.040 25449 51 1 1 . 1 1 7 7 THR C C 7 171.700 171.700 175.070 -3.370 25449 52 1 1 . 1 1 7 7 THR CA C 7 59.800 59.800 61.398 -1.599 25449 53 1 1 . 1 1 7 7 THR CB C 7 70.600 70.600 70.653 -0.053 25449 54 1 1 . 1 1 7 7 THR H H 7 6.840 6.840 7.700 -0.860 25449 55 1 1 . 1 1 8 8 ASP N N 8 114.600 114.600 122.561 -7.961 25449 56 1 1 . 1 1 8 8 ASP HA H 8 4.490 4.490 4.304 0.186 25449 57 1 1 . 1 1 8 8 ASP C C 8 174.300 174.300 174.041 0.259 25449 58 1 1 . 1 1 8 8 ASP CA C 8 53.500 53.500 55.808 -2.308 25449 59 1 1 . 1 1 8 8 ASP CB C 8 39.800 39.800 40.250 -0.450 25449 60 1 1 . 1 1 8 8 ASP H H 8 8.170 8.170 8.742 -0.572 25449 61 1 1 . 1 1 9 9 ILE N N 9 117.800 117.800 118.806 -1.006 25449 62 1 1 . 1 1 9 9 ILE HA H 9 4.810 4.810 4.342 0.468 25449 63 1 1 . 1 1 9 9 ILE C C 9 174.700 174.700 173.999 0.701 25449 64 1 1 . 1 1 9 9 ILE CA C 9 60.600 60.600 60.699 -0.099 25449 65 1 1 . 1 1 9 9 ILE CB C 9 40.300 40.300 39.791 0.509 25449 66 1 1 . 1 1 9 9 ILE H H 9 7.890 7.890 7.504 0.386 25449 67 1 1 . 1 1 10 10 LEU N N 10 125.300 125.300 127.359 -2.059 25449 68 1 1 . 1 1 10 10 LEU HA H 10 4.960 4.960 4.869 0.091 25449 69 1 1 . 1 1 10 10 LEU C C 10 176.100 176.100 175.333 0.767 25449 70 1 1 . 1 1 10 10 LEU CA C 10 52.900 52.900 54.218 -1.318 25449 71 1 1 . 1 1 10 10 LEU CB C 10 43.100 43.100 44.769 -1.669 25449 72 1 1 . 1 1 10 10 LEU H H 10 9.370 9.370 8.283 1.087 25449 73 1 1 . 1 1 11 11 PHE N N 11 124.300 124.300 127.690 -3.390 25449 74 1 1 . 1 1 11 11 PHE HA H 11 4.670 4.670 4.754 -0.084 25449 75 1 1 . 1 1 11 11 PHE C C 11 173.400 173.400 173.698 -0.298 25449 76 1 1 . 1 1 11 11 PHE CA C 11 57.000 57.000 57.154 -0.154 25449 77 1 1 . 1 1 11 11 PHE CB C 11 40.700 40.700 40.021 0.679 25449 78 1 1 . 1 1 11 11 PHE H H 11 9.310 9.310 8.618 0.692 25449 79 1 1 . 1 1 12 12 VAL N N 12 128.300 128.300 128.987 -0.687 25449 80 1 1 . 1 1 12 12 VAL HA H 12 4.420 4.420 4.434 -0.014 25449 81 1 1 . 1 1 12 12 VAL C C 12 173.900 173.900 175.254 -1.354 25449 82 1 1 . 1 1 12 12 VAL CA C 12 60.200 60.200 60.184 0.016 25449 83 1 1 . 1 1 12 12 VAL CB C 12 33.100 33.100 31.262 1.839 25449 84 1 1 . 1 1 12 12 VAL H H 12 8.380 8.380 7.704 0.676 25449 85 1 1 . 1 1 13 13 GLY N N 13 111.800 111.800 111.276 0.524 25449 86 1 1 . 1 1 13 13 GLY C C 13 173.800 173.800 173.494 0.306 25449 87 1 1 . 1 1 13 13 GLY CA C 13 43.400 43.400 43.103 0.297 25449 88 1 1 . 1 1 13 13 GLY H H 13 9.150 9.150 7.352 1.798 25449 89 1 1 . 1 1 14 14 GLY N N 14 107.600 107.600 108.910 -1.310 25449 90 1 1 . 1 1 14 14 GLY C C 14 175.400 175.400 173.947 1.453 25449 91 1 1 . 1 1 14 14 GLY CA C 14 45.800 45.800 44.730 1.070 25449 92 1 1 . 1 1 14 14 GLY H H 14 8.260 8.260 8.094 0.166 25449 93 1 1 . 1 1 15 15 ILE N N 15 111.100 111.100 115.832 -4.732 25449 94 1 1 . 1 1 15 15 ILE HA H 15 4.040 4.040 4.449 -0.409 25449 95 1 1 . 1 1 15 15 ILE C C 15 175.500 175.500 174.591 0.909 25449 96 1 1 . 1 1 15 15 ILE CA C 15 60.500 60.500 58.723 1.777 25449 97 1 1 . 1 1 15 15 ILE CB C 15 38.500 38.500 39.316 -0.815 25449 98 1 1 . 1 1 15 15 ILE H H 15 6.930 6.930 7.259 -0.329 25449 99 1 1 . 1 1 16 16 ASP N N 16 122.800 122.800 120.735 2.065 25449 100 1 1 . 1 1 16 16 ASP HA H 16 4.580 4.580 4.611 -0.031 25449 101 1 1 . 1 1 16 16 ASP C C 16 177.200 177.200 176.802 0.398 25449 102 1 1 . 1 1 16 16 ASP CA C 16 53.700 53.700 53.278 0.422 25449 103 1 1 . 1 1 16 16 ASP CB C 16 42.500 42.500 42.832 -0.332 25449 104 1 1 . 1 1 16 16 ASP H H 16 8.320 8.320 8.539 -0.219 25449 105 1 1 . 1 1 17 17 GLU N N 17 119.600 119.600 120.271 -0.671 25449 106 1 1 . 1 1 17 17 GLU HA H 17 4.140 4.140 4.221 -0.081 25449 107 1 1 . 1 1 17 17 GLU C C 17 176.800 176.800 176.410 0.390 25449 108 1 1 . 1 1 17 17 GLU CA C 17 58.600 58.600 57.633 0.967 25449 109 1 1 . 1 1 17 17 GLU CB C 17 29.800 29.800 29.128 0.672 25449 110 1 1 . 1 1 17 17 GLU H H 17 8.830 8.830 8.658 0.172 25449 111 1 1 . 1 1 18 18 THR N N 18 111.300 111.300 115.233 -3.933 25449 112 1 1 . 1 1 18 18 THR HA H 18 4.250 4.250 4.477 -0.227 25449 113 1 1 . 1 1 18 18 THR C C 18 175.200 175.200 174.325 0.875 25449 114 1 1 . 1 1 18 18 THR CA C 18 62.600 62.600 61.079 1.521 25449 115 1 1 . 1 1 18 18 THR CB C 18 69.600 69.600 69.001 0.599 25449 116 1 1 . 1 1 18 18 THR H H 18 8.740 8.740 7.716 1.024 25449 117 1 1 . 1 1 19 19 ILE N N 19 123.300 123.300 119.905 3.395 25449 118 1 1 . 1 1 19 19 ILE HA H 19 3.880 3.880 4.310 -0.430 25449 119 1 1 . 1 1 19 19 ILE C C 19 174.300 174.300 174.127 0.173 25449 120 1 1 . 1 1 19 19 ILE CA C 19 59.900 59.900 59.148 0.752 25449 121 1 1 . 1 1 19 19 ILE CB C 19 35.600 35.600 38.781 -3.181 25449 122 1 1 . 1 1 19 19 ILE H H 19 7.220 7.220 7.574 -0.354 25449 123 1 1 . 1 1 20 20 ASP N N 20 125.600 125.600 123.464 2.136 25449 124 1 1 . 1 1 20 20 ASP HA H 20 4.640 4.640 4.811 -0.171 25449 125 1 1 . 1 1 20 20 ASP C C 20 175.300 175.300 177.307 -2.007 25449 126 1 1 . 1 1 20 20 ASP CA C 20 51.500 51.500 52.572 -1.073 25449 127 1 1 . 1 1 20 20 ASP CB C 20 43.000 43.000 43.411 -0.411 25449 128 1 1 . 1 1 20 20 ASP H H 20 7.790 7.790 8.439 -0.649 25449 129 1 1 . 1 1 21 21 GLU N N 21 118.400 118.400 121.983 -3.583 25449 130 1 1 . 1 1 21 21 GLU HA H 21 3.630 3.630 3.929 -0.299 25449 131 1 1 . 1 1 21 21 GLU C C 21 177.900 177.900 178.183 -0.283 25449 132 1 1 . 1 1 21 21 GLU CA C 21 60.900 60.900 60.135 0.766 25449 133 1 1 . 1 1 21 21 GLU CB C 21 29.200 29.200 29.562 -0.362 25449 134 1 1 . 1 1 21 21 GLU H H 21 9.220 9.220 8.833 0.387 25449 135 1 1 . 1 1 22 22 LYS N N 22 119.700 119.700 117.101 2.599 25449 136 1 1 . 1 1 22 22 LYS HA H 22 4.060 4.060 4.086 -0.026 25449 137 1 1 . 1 1 22 22 LYS C C 22 178.500 178.500 178.657 -0.157 25449 138 1 1 . 1 1 22 22 LYS CA C 22 59.300 59.300 59.044 0.256 25449 139 1 1 . 1 1 22 22 LYS CB C 22 31.800 31.800 31.370 0.430 25449 140 1 1 . 1 1 22 22 LYS H H 22 8.040 8.040 8.584 -0.544 25449 141 1 1 . 1 1 23 23 SER N N 23 114.900 114.900 115.688 -0.788 25449 142 1 1 . 1 1 23 23 SER HA H 23 4.300 4.300 4.330 -0.030 25449 143 1 1 . 1 1 23 23 SER C C 23 177.600 177.600 176.153 1.447 25449 144 1 1 . 1 1 23 23 SER CA C 23 61.800 61.800 61.262 0.538 25449 145 1 1 . 1 1 23 23 SER CB C 23 62.900 62.900 62.446 0.454 25449 146 1 1 . 1 1 23 23 SER H H 23 8.240 8.240 8.346 -0.106 25449 147 1 1 . 1 1 24 24 LEU N N 24 118.800 118.800 121.729 -2.929 25449 148 1 1 . 1 1 24 24 LEU HA H 24 4.180 4.180 4.282 -0.102 25449 149 1 1 . 1 1 24 24 LEU C C 24 178.700 178.700 178.661 0.039 25449 150 1 1 . 1 1 24 24 LEU CA C 24 57.300 57.300 56.535 0.765 25449 151 1 1 . 1 1 24 24 LEU CB C 24 42.100 42.100 41.499 0.601 25449 152 1 1 . 1 1 24 24 LEU H H 24 7.750 7.750 7.427 0.323 25449 153 1 1 . 1 1 25 25 TYR N N 25 123.200 123.200 121.247 1.953 25449 154 1 1 . 1 1 25 25 TYR HA H 25 3.630 3.630 4.069 -0.439 25449 155 1 1 . 1 1 25 25 TYR C C 25 178.600 178.600 177.215 1.385 25449 156 1 1 . 1 1 25 25 TYR CA C 25 63.200 63.200 61.529 1.671 25449 157 1 1 . 1 1 25 25 TYR CB C 25 38.200 38.200 38.676 -0.476 25449 158 1 1 . 1 1 25 25 TYR H H 25 8.970 8.970 7.476 1.494 25449 159 1 1 . 1 1 26 26 ASP N N 26 119.800 119.800 119.336 0.464 25449 160 1 1 . 1 1 26 26 ASP HA H 26 4.270 4.270 4.579 -0.309 25449 161 1 1 . 1 1 26 26 ASP C C 26 177.900 177.900 178.814 -0.914 25449 162 1 1 . 1 1 26 26 ASP CA C 26 57.700 57.700 57.501 0.199 25449 163 1 1 . 1 1 26 26 ASP CB C 26 40.000 40.000 41.242 -1.242 25449 164 1 1 . 1 1 26 26 ASP H H 26 8.510 8.510 7.795 0.715 25449 165 1 1 . 1 1 27 27 ILE N N 27 114.700 114.700 119.588 -4.888 25449 166 1 1 . 1 1 27 27 ILE HA H 27 3.960 3.960 3.881 0.079 25449 167 1 1 . 1 1 27 27 ILE C C 27 177.700 177.700 177.774 -0.074 25449 168 1 1 . 1 1 27 27 ILE CA C 27 63.300 63.300 64.892 -1.592 25449 169 1 1 . 1 1 27 27 ILE CB C 27 39.000 39.000 38.279 0.721 25449 170 1 1 . 1 1 27 27 ILE H H 27 7.320 7.320 7.715 -0.395 25449 171 1 1 . 1 1 28 28 PHE N N 28 116.900 116.900 117.321 -0.421 25449 172 1 1 . 1 1 28 28 PHE HA H 28 4.370 4.370 4.656 -0.286 25449 173 1 1 . 1 1 28 28 PHE C C 28 179.900 179.900 176.945 2.955 25449 174 1 1 . 1 1 28 28 PHE CA C 28 62.300 62.300 58.800 3.501 25449 175 1 1 . 1 1 28 28 PHE CB C 28 37.300 37.300 38.925 -1.625 25449 176 1 1 . 1 1 28 28 PHE H H 28 8.650 8.650 8.040 0.610 25449 177 1 1 . 1 1 29 29 SER N N 29 120.100 120.100 113.066 7.034 25449 178 1 1 . 1 1 29 29 SER HA H 29 4.410 4.410 4.678 -0.268 25449 179 1 1 . 1 1 29 29 SER C C 29 175.600 175.600 175.306 0.294 25449 180 1 1 . 1 1 29 29 SER CA C 29 61.300 61.300 59.051 2.249 25449 181 1 1 . 1 1 29 29 SER CB C 29 62.200 62.200 62.669 -0.469 25449 182 1 1 . 1 1 29 29 SER H H 29 8.880 8.880 7.713 1.167 25449 183 1 1 . 1 1 30 30 SER N N 30 116.200 116.200 117.463 -1.263 25449 184 1 1 . 1 1 30 30 SER HA H 30 3.940 3.940 4.258 -0.318 25449 185 1 1 . 1 1 30 30 SER C C 30 174.900 174.900 175.480 -0.580 25449 186 1 1 . 1 1 30 30 SER CA C 30 60.400 60.400 60.805 -0.405 25449 187 1 1 . 1 1 30 30 SER CB C 30 62.400 62.400 63.138 -0.738 25449 188 1 1 . 1 1 30 30 SER H H 30 7.270 7.270 7.963 -0.693 25449 189 1 1 . 1 1 31 31 PHE N N 31 115.600 115.600 121.772 -6.172 25449 190 1 1 . 1 1 31 31 PHE HA H 31 4.280 4.280 4.571 -0.291 25449 191 1 1 . 1 1 31 31 PHE C C 31 174.100 174.100 176.151 -2.051 25449 192 1 1 . 1 1 31 31 PHE CA C 31 58.900 58.900 59.226 -0.326 25449 193 1 1 . 1 1 31 31 PHE CB C 31 39.300 39.300 40.328 -1.028 25449 194 1 1 . 1 1 31 31 PHE H H 31 6.980 6.980 7.893 -0.913 25449 195 1 1 . 1 1 32 32 GLY N N 32 104.900 104.900 107.299 -2.399 25449 196 1 1 . 1 1 32 32 GLY C C 32 171.600 171.600 172.791 -1.191 25449 197 1 1 . 1 1 32 32 GLY CA C 32 44.300 44.300 44.445 -0.145 25449 198 1 1 . 1 1 32 32 GLY H H 32 7.300 7.300 7.654 -0.354 25449 199 1 1 . 1 1 33 33 ASP N N 33 116.100 116.100 126.737 -10.637 25449 200 1 1 . 1 1 33 33 ASP HA H 33 4.510 4.510 4.435 0.075 25449 201 1 1 . 1 1 33 33 ASP C C 33 176.800 176.800 174.552 2.248 25449 202 1 1 . 1 1 33 33 ASP CA C 33 55.400 55.400 55.405 -0.005 25449 203 1 1 . 1 1 33 33 ASP CB C 33 40.600 40.600 42.235 -1.635 25449 204 1 1 . 1 1 33 33 ASP H H 33 8.120 8.120 8.449 -0.329 25449 205 1 1 . 1 1 34 34 ILE N N 34 126.400 126.400 119.377 7.023 25449 206 1 1 . 1 1 34 34 ILE HA H 34 3.850 3.850 4.154 -0.304 25449 207 1 1 . 1 1 34 34 ILE C C 34 176.200 176.200 176.190 0.010 25449 208 1 1 . 1 1 34 34 ILE CA C 34 60.200 60.200 58.459 1.741 25449 209 1 1 . 1 1 34 34 ILE CB C 34 39.900 39.900 39.158 0.742 25449 210 1 1 . 1 1 34 34 ILE H H 34 8.670 8.670 8.024 0.646 25449 211 1 1 . 1 1 35 35 ARG N N 35 128.900 128.900 128.028 0.872 25449 212 1 1 . 1 1 35 35 ARG HA H 35 4.160 4.160 4.156 0.004 25449 213 1 1 . 1 1 35 35 ARG C C 35 175.600 175.600 176.194 -0.594 25449 214 1 1 . 1 1 35 35 ARG CA C 35 57.500 57.500 57.886 -0.386 25449 215 1 1 . 1 1 35 35 ARG CB C 35 31.700 31.700 31.055 0.645 25449 216 1 1 . 1 1 35 35 ARG H H 35 9.320 9.320 8.611 0.709 25449 217 1 1 . 1 1 36 36 ASN N N 36 114.300 114.300 115.102 -0.802 25449 218 1 1 . 1 1 36 36 ASN HA H 36 4.710 4.710 4.871 -0.161 25449 219 1 1 . 1 1 36 36 ASN C C 36 172.000 172.000 173.026 -1.026 25449 220 1 1 . 1 1 36 36 ASN CA C 36 53.500 53.500 53.062 0.438 25449 221 1 1 . 1 1 36 36 ASN CB C 36 42.600 42.600 41.017 1.583 25449 222 1 1 . 1 1 36 36 ASN H H 36 7.620 7.620 8.094 -0.474 25449 223 1 1 . 1 1 37 37 ILE N N 37 122.700 122.700 123.494 -0.794 25449 224 1 1 . 1 1 37 37 ILE HA H 37 4.770 4.770 4.516 0.254 25449 225 1 1 . 1 1 37 37 ILE C C 37 173.300 173.300 174.888 -1.588 25449 226 1 1 . 1 1 37 37 ILE CA C 37 60.600 60.600 60.872 -0.272 25449 227 1 1 . 1 1 37 37 ILE CB C 37 41.200 41.200 39.777 1.423 25449 228 1 1 . 1 1 37 37 ILE H H 37 8.030 8.030 8.509 -0.479 25449 229 1 1 . 1 1 38 38 GLU N N 38 126.700 126.700 128.777 -2.077 25449 230 1 1 . 1 1 38 38 GLU HA H 38 4.660 4.660 4.652 0.008 25449 231 1 1 . 1 1 38 38 GLU C C 38 174.800 174.800 174.229 0.571 25449 232 1 1 . 1 1 38 38 GLU CA C 38 54.400 54.400 55.457 -1.057 25449 233 1 1 . 1 1 38 38 GLU CB C 38 33.400 33.400 31.011 2.389 25449 234 1 1 . 1 1 38 38 GLU H H 38 8.870 8.870 8.575 0.295 25449 235 1 1 . 1 1 39 39 VAL N N 39 126.400 126.400 127.101 -0.701 25449 236 1 1 . 1 1 39 39 VAL CA C 39 58.700 58.700 59.064 -0.364 25449 237 1 1 . 1 1 39 39 VAL CB C 39 32.600 32.600 32.981 -0.381 25449 238 1 1 . 1 1 39 39 VAL H H 39 8.970 8.970 8.400 0.570 25449 239 1 1 . 1 1 40 40 PRO HA H 40 4.230 4.230 4.356 -0.126 25449 240 1 1 . 1 1 40 40 PRO C C 40 176.300 176.300 175.253 1.047 25449 241 1 1 . 1 1 40 40 PRO CA C 40 63.300 63.300 62.940 0.360 25449 242 1 1 . 1 1 40 40 PRO CB C 40 32.500 32.500 32.163 0.337 25449 243 1 1 . 1 1 41 41 LEU N N 41 120.700 120.700 122.455 -1.755 25449 244 1 1 . 1 1 41 41 LEU HA H 41 4.520 4.520 4.759 -0.239 25449 245 1 1 . 1 1 41 41 LEU C C 41 177.900 177.900 175.884 2.016 25449 246 1 1 . 1 1 41 41 LEU CA C 41 53.100 53.100 53.454 -0.354 25449 247 1 1 . 1 1 41 41 LEU CB C 41 44.300 44.300 45.974 -1.674 25449 248 1 1 . 1 1 41 41 LEU H H 41 8.520 8.520 8.127 0.393 25449 249 1 1 . 1 1 42 42 ASN N N 42 121.400 121.400 120.012 1.388 25449 250 1 1 . 1 1 42 42 ASN HA H 42 4.560 4.560 4.930 -0.370 25449 251 1 1 . 1 1 42 42 ASN C C 42 176.700 176.700 176.302 0.398 25449 252 1 1 . 1 1 42 42 ASN CA C 42 52.900 52.900 52.100 0.800 25449 253 1 1 . 1 1 42 42 ASN CB C 42 39.000 39.000 40.386 -1.387 25449 254 1 1 . 1 1 42 42 ASN H H 42 8.740 8.740 8.438 0.302 25449 255 1 1 . 1 1 43 43 MET N N 43 125.500 125.500 123.377 2.123 25449 256 1 1 . 1 1 43 43 MET HA H 43 4.210 4.210 4.461 -0.251 25449 257 1 1 . 1 1 43 43 MET C C 43 177.200 177.200 176.979 0.221 25449 258 1 1 . 1 1 43 43 MET CA C 43 57.100 57.100 57.357 -0.257 25449 259 1 1 . 1 1 43 43 MET CB C 43 31.600 31.600 32.354 -0.754 25449 260 1 1 . 1 1 43 43 MET H H 43 9.080 9.080 8.920 0.160 25449 261 1 1 . 1 1 44 44 THR N N 44 114.400 114.400 113.550 0.850 25449 262 1 1 . 1 1 44 44 THR HA H 44 4.160 4.160 4.309 -0.149 25449 263 1 1 . 1 1 44 44 THR C C 44 175.900 175.900 175.452 0.448 25449 264 1 1 . 1 1 44 44 THR CA C 44 65.200 65.200 63.582 1.618 25449 265 1 1 . 1 1 44 44 THR CB C 44 68.700 68.700 69.450 -0.750 25449 266 1 1 . 1 1 44 44 THR H H 44 8.590 8.590 8.060 0.530 25449 267 1 1 . 1 1 45 45 THR N N 45 110.300 110.300 111.554 -1.254 25449 268 1 1 . 1 1 45 45 THR HA H 45 4.160 4.160 4.442 -0.282 25449 269 1 1 . 1 1 45 45 THR C C 45 175.500 175.500 174.275 1.225 25449 270 1 1 . 1 1 45 45 THR CA C 45 62.000 62.000 61.729 0.271 25449 271 1 1 . 1 1 45 45 THR CB C 45 70.000 70.000 69.618 0.382 25449 272 1 1 . 1 1 45 45 THR H H 45 7.610 7.610 7.665 -0.055 25449 273 1 1 . 1 1 46 46 LYS N N 46 115.700 115.700 119.847 -4.147 25449 274 1 1 . 1 1 46 46 LYS HA H 46 3.720 3.720 3.896 -0.176 25449 275 1 1 . 1 1 46 46 LYS C C 46 174.600 174.600 175.250 -0.650 25449 276 1 1 . 1 1 46 46 LYS CA C 46 57.600 57.600 57.370 0.230 25449 277 1 1 . 1 1 46 46 LYS CB C 46 28.900 28.900 30.738 -1.838 25449 278 1 1 . 1 1 46 46 LYS H H 46 8.460 8.460 8.008 0.452 25449 279 1 1 . 1 1 47 47 LYS N N 47 117.100 117.100 117.590 -0.490 25449 280 1 1 . 1 1 47 47 LYS HA H 47 4.680 4.680 4.125 0.555 25449 281 1 1 . 1 1 47 47 LYS C C 47 176.300 176.300 176.959 -0.659 25449 282 1 1 . 1 1 47 47 LYS CA C 47 54.000 54.000 56.752 -2.752 25449 283 1 1 . 1 1 47 47 LYS CB C 47 35.100 35.100 32.552 2.548 25449 284 1 1 . 1 1 47 47 LYS H H 47 7.610 7.610 7.380 0.230 25449 285 1 1 . 1 1 48 48 ASN N N 48 117.700 117.700 119.943 -2.243 25449 286 1 1 . 1 1 48 48 ASN HA H 48 4.700 4.700 4.834 -0.134 25449 287 1 1 . 1 1 48 48 ASN C C 48 174.000 174.000 175.180 -1.180 25449 288 1 1 . 1 1 48 48 ASN CA C 48 53.600 53.600 52.059 1.541 25449 289 1 1 . 1 1 48 48 ASN CB C 48 37.700 37.700 39.182 -1.482 25449 290 1 1 . 1 1 48 48 ASN H H 48 8.740 8.740 8.765 -0.025 25449 291 1 1 . 1 1 49 49 ARG N N 49 116.800 116.800 116.951 -0.151 25449 292 1 1 . 1 1 49 49 ARG HA H 49 4.350 4.350 4.018 0.332 25449 293 1 1 . 1 1 49 49 ARG C C 49 177.500 177.500 176.420 1.080 25449 294 1 1 . 1 1 49 49 ARG CA C 49 55.600 55.600 56.625 -1.025 25449 295 1 1 . 1 1 49 49 ARG CB C 49 31.600 31.600 27.226 4.374 25449 296 1 1 . 1 1 49 49 ARG H H 49 8.530 8.530 8.077 0.453 25449 297 1 1 . 1 1 50 50 GLY N N 50 108.300 108.300 105.998 2.302 25449 298 1 1 . 1 1 50 50 GLY C C 50 173.500 173.500 173.542 -0.042 25449 299 1 1 . 1 1 50 50 GLY CA C 50 45.800 45.800 45.422 0.378 25449 300 1 1 . 1 1 50 50 GLY H H 50 8.900 8.900 8.843 0.057 25449 301 1 1 . 1 1 51 51 PHE N N 51 113.900 113.900 116.798 -2.898 25449 302 1 1 . 1 1 51 51 PHE HA H 51 5.470 5.470 4.707 0.763 25449 303 1 1 . 1 1 51 51 PHE C C 51 172.000 172.000 172.090 -0.090 25449 304 1 1 . 1 1 51 51 PHE CA C 51 55.000 55.000 56.174 -1.174 25449 305 1 1 . 1 1 51 51 PHE CB C 51 42.700 42.700 40.701 1.999 25449 306 1 1 . 1 1 51 51 PHE H H 51 6.910 6.910 7.296 -0.386 25449 307 1 1 . 1 1 52 52 ALA N N 52 120.500 120.500 125.337 -4.837 25449 308 1 1 . 1 1 52 52 ALA HA H 52 4.630 4.630 3.993 0.637 25449 309 1 1 . 1 1 52 52 ALA C C 52 173.900 173.900 174.484 -0.584 25449 310 1 1 . 1 1 52 52 ALA CA C 52 50.200 50.200 51.138 -0.938 25449 311 1 1 . 1 1 52 52 ALA CB C 52 25.100 25.100 21.694 3.406 25449 312 1 1 . 1 1 52 52 ALA H H 52 8.810 8.810 7.587 1.223 25449 313 1 1 . 1 1 53 53 PHE N N 53 115.000 115.000 119.486 -4.486 25449 314 1 1 . 1 1 53 53 PHE HA H 53 5.660 5.660 4.739 0.921 25449 315 1 1 . 1 1 53 53 PHE C C 53 175.600 175.600 174.463 1.137 25449 316 1 1 . 1 1 53 53 PHE CA C 53 56.200 56.200 56.169 0.031 25449 317 1 1 . 1 1 53 53 PHE CB C 53 42.400 42.400 41.296 1.104 25449 318 1 1 . 1 1 53 53 PHE H H 53 8.730 8.730 7.820 0.910 25449 319 1 1 . 1 1 54 54 VAL N N 54 122.300 122.300 121.663 0.637 25449 320 1 1 . 1 1 54 54 VAL HA H 54 4.100 4.100 4.322 -0.222 25449 321 1 1 . 1 1 54 54 VAL C C 54 173.000 173.000 174.158 -1.158 25449 322 1 1 . 1 1 54 54 VAL CA C 54 61.700 61.700 61.974 -0.274 25449 323 1 1 . 1 1 54 54 VAL CB C 54 34.400 34.400 34.652 -0.252 25449 324 1 1 . 1 1 54 54 VAL H H 54 9.060 9.060 8.450 0.610 25449 325 1 1 . 1 1 55 55 GLU N N 55 127.300 127.300 127.908 -0.608 25449 326 1 1 . 1 1 55 55 GLU HA H 55 5.160 5.160 4.906 0.254 25449 327 1 1 . 1 1 55 55 GLU C C 55 175.900 175.900 175.486 0.414 25449 328 1 1 . 1 1 55 55 GLU CA C 55 54.000 54.000 55.047 -1.047 25449 329 1 1 . 1 1 55 55 GLU CB C 55 31.700 31.700 32.201 -0.501 25449 330 1 1 . 1 1 55 55 GLU H H 55 8.860 8.860 8.144 0.716 25449 331 1 1 . 1 1 56 56 TYR N N 56 127.500 127.500 124.387 3.113 25449 332 1 1 . 1 1 56 56 TYR HA H 56 4.520 4.520 4.397 0.123 25449 333 1 1 . 1 1 56 56 TYR C C 56 175.000 175.000 175.680 -0.680 25449 334 1 1 . 1 1 56 56 TYR CA C 56 59.700 59.700 59.091 0.609 25449 335 1 1 . 1 1 56 56 TYR CB C 56 40.200 40.200 39.547 0.653 25449 336 1 1 . 1 1 56 56 TYR H H 56 9.470 9.470 8.933 0.537 25449 337 1 1 . 1 1 57 57 VAL N N 57 119.200 119.200 117.554 1.646 25449 338 1 1 . 1 1 57 57 VAL HA H 57 3.570 3.570 3.898 -0.328 25449 339 1 1 . 1 1 57 57 VAL C C 57 177.000 177.000 176.029 0.971 25449 340 1 1 . 1 1 57 57 VAL CA C 57 66.300 66.300 64.623 1.677 25449 341 1 1 . 1 1 57 57 VAL CB C 57 32.000 32.000 32.349 -0.349 25449 342 1 1 . 1 1 57 57 VAL H H 57 7.800 7.800 7.948 -0.148 25449 343 1 1 . 1 1 58 58 GLU N N 58 118.500 118.500 116.292 2.208 25449 344 1 1 . 1 1 58 58 GLU HA H 58 4.780 4.780 4.599 0.181 25449 345 1 1 . 1 1 58 58 GLU C C 58 177.500 177.500 177.647 -0.147 25449 346 1 1 . 1 1 58 58 GLU CA C 58 53.800 53.800 55.556 -1.756 25449 347 1 1 . 1 1 58 58 GLU CB C 58 30.500 30.500 31.136 -0.636 25449 348 1 1 . 1 1 58 58 GLU H H 58 9.530 9.530 8.047 1.483 25449 349 1 1 . 1 1 59 59 VAL N N 59 125.200 125.200 122.153 3.047 25449 350 1 1 . 1 1 59 59 VAL HA H 59 3.530 3.530 4.016 -0.486 25449 351 1 1 . 1 1 59 59 VAL C C 59 177.600 177.600 176.919 0.681 25449 352 1 1 . 1 1 59 59 VAL CA C 59 66.100 66.100 65.053 1.047 25449 353 1 1 . 1 1 59 59 VAL CB C 59 31.700 31.700 32.542 -0.842 25449 354 1 1 . 1 1 59 59 VAL H H 59 8.650 8.650 8.509 0.141 25449 355 1 1 . 1 1 60 60 ASP N N 60 118.500 118.500 120.865 -2.365 25449 356 1 1 . 1 1 60 60 ASP HA H 60 4.220 4.220 4.400 -0.180 25449 357 1 1 . 1 1 60 60 ASP C C 60 178.300 178.300 177.456 0.844 25449 358 1 1 . 1 1 60 60 ASP CA C 60 57.600 57.600 57.645 -0.045 25449 359 1 1 . 1 1 60 60 ASP CB C 60 40.500 40.500 40.744 -0.244 25449 360 1 1 . 1 1 60 60 ASP H H 60 8.970 8.970 8.598 0.372 25449 361 1 1 . 1 1 61 61 ASP N N 61 119.900 119.900 119.632 0.268 25449 362 1 1 . 1 1 61 61 ASP HA H 61 4.360 4.360 4.437 -0.077 25449 363 1 1 . 1 1 61 61 ASP C C 61 176.800 176.800 178.234 -1.434 25449 364 1 1 . 1 1 61 61 ASP CA C 61 56.900 56.900 57.274 -0.374 25449 365 1 1 . 1 1 61 61 ASP CB C 61 39.800 39.800 40.470 -0.670 25449 366 1 1 . 1 1 61 61 ASP H H 61 6.920 6.920 8.643 -1.723 25449 367 1 1 . 1 1 62 62 ALA N N 62 122.700 122.700 122.377 0.323 25449 368 1 1 . 1 1 62 62 ALA HA H 62 3.380 3.380 3.383 -0.003 25449 369 1 1 . 1 1 62 62 ALA C C 62 171.600 171.600 179.335 -7.735 25449 370 1 1 . 1 1 62 62 ALA CA C 62 55.100 55.100 55.041 0.059 25449 371 1 1 . 1 1 62 62 ALA CB C 62 18.200 18.200 18.265 -0.065 25449 372 1 1 . 1 1 62 62 ALA H H 62 6.910 6.910 7.651 -0.741 25449 373 1 1 . 1 1 63 63 LYS N N 63 116.200 116.200 118.455 -2.255 25449 374 1 1 . 1 1 63 63 LYS HA H 63 4.190 4.190 3.873 0.317 25449 375 1 1 . 1 1 63 63 LYS C C 63 179.200 179.200 179.097 0.103 25449 376 1 1 . 1 1 63 63 LYS CA C 63 59.300 59.300 59.585 -0.285 25449 377 1 1 . 1 1 63 63 LYS CB C 63 32.600 32.600 31.849 0.751 25449 378 1 1 . 1 1 63 63 LYS H H 63 8.020 8.020 7.792 0.228 25449 379 1 1 . 1 1 64 64 HIS N N 64 117.400 117.400 117.388 0.012 25449 380 1 1 . 1 1 64 64 HIS HA H 64 4.310 4.310 4.314 -0.004 25449 381 1 1 . 1 1 64 64 HIS CA C 64 58.000 58.000 59.110 -1.110 25449 382 1 1 . 1 1 64 64 HIS CB C 64 29.100 29.100 29.906 -0.806 25449 383 1 1 . 1 1 64 64 HIS H H 64 7.460 7.460 7.492 -0.032 25449 384 1 1 . 1 1 65 65 ALA N N 65 123.700 123.700 122.437 1.263 25449 385 1 1 . 1 1 65 65 ALA HA H 65 2.170 2.170 3.929 -1.759 25449 386 1 1 . 1 1 65 65 ALA C C 65 178.700 178.700 179.054 -0.354 25449 387 1 1 . 1 1 65 65 ALA CA C 65 54.800 54.800 54.734 0.066 25449 388 1 1 . 1 1 65 65 ALA CB C 65 19.400 19.400 18.734 0.666 25449 389 1 1 . 1 1 65 65 ALA H H 65 8.190 8.190 7.710 0.480 25449 390 1 1 . 1 1 66 66 LEU N N 66 119.800 119.800 118.914 0.886 25449 391 1 1 . 1 1 66 66 LEU HA H 66 3.430 3.430 4.128 -0.698 25449 392 1 1 . 1 1 66 66 LEU C C 66 178.700 178.700 178.900 -0.200 25449 393 1 1 . 1 1 66 66 LEU CA C 66 59.700 59.700 57.671 2.029 25449 394 1 1 . 1 1 66 66 LEU CB C 66 41.100 41.100 41.721 -0.621 25449 395 1 1 . 1 1 66 66 LEU H H 66 8.340 8.340 7.567 0.773 25449 396 1 1 . 1 1 67 67 TYR N N 67 116.200 116.200 119.694 -3.494 25449 397 1 1 . 1 1 67 67 TYR HA H 67 4.010 4.010 4.220 -0.210 25449 398 1 1 . 1 1 67 67 TYR C C 67 177.700 177.700 176.768 0.932 25449 399 1 1 . 1 1 67 67 TYR CA C 67 60.500 60.500 61.155 -0.655 25449 400 1 1 . 1 1 67 67 TYR CB C 67 38.100 38.100 38.367 -0.267 25449 401 1 1 . 1 1 67 67 TYR H H 67 7.760 7.760 7.835 -0.075 25449 402 1 1 . 1 1 68 68 ASN N N 68 113.900 113.900 114.468 -0.568 25449 403 1 1 . 1 1 68 68 ASN HA H 68 4.430 4.430 4.537 -0.107 25449 404 1 1 . 1 1 68 68 ASN C C 68 176.400 176.400 175.780 0.620 25449 405 1 1 . 1 1 68 68 ASN CA C 68 55.600 55.600 54.164 1.436 25449 406 1 1 . 1 1 68 68 ASN CB C 68 41.400 41.400 38.387 3.013 25449 407 1 1 . 1 1 68 68 ASN H H 68 7.480 7.480 7.798 -0.318 25449 408 1 1 . 1 1 69 69 MET N N 69 114.900 114.900 116.116 -1.216 25449 409 1 1 . 1 1 69 69 MET HA H 69 4.760 4.760 4.606 0.154 25449 410 1 1 . 1 1 69 69 MET C C 69 177.000 177.000 176.954 0.046 25449 411 1 1 . 1 1 69 69 MET CA C 69 53.500 53.500 54.197 -0.697 25449 412 1 1 . 1 1 69 69 MET CB C 69 31.100 31.100 32.762 -1.662 25449 413 1 1 . 1 1 69 69 MET H H 69 8.310 8.310 7.591 0.719 25449 414 1 1 . 1 1 70 70 ASN N N 70 117.700 117.700 119.727 -2.027 25449 415 1 1 . 1 1 70 70 ASN HA H 70 4.370 4.370 4.561 -0.191 25449 416 1 1 . 1 1 70 70 ASN C C 70 176.400 176.400 175.683 0.717 25449 417 1 1 . 1 1 70 70 ASN CA C 70 56.100 56.100 55.680 0.420 25449 418 1 1 . 1 1 70 70 ASN CB C 70 38.700 38.700 37.493 1.207 25449 419 1 1 . 1 1 70 70 ASN H H 70 7.660 7.660 8.144 -0.484 25449 420 1 1 . 1 1 71 71 ASN N N 71 121.500 121.500 115.726 5.774 25449 421 1 1 . 1 1 71 71 ASN HA H 71 4.510 4.510 4.665 -0.155 25449 422 1 1 . 1 1 71 71 ASN C C 71 173.300 173.300 174.549 -1.249 25449 423 1 1 . 1 1 71 71 ASN CA C 71 55.800 55.800 53.173 2.627 25449 424 1 1 . 1 1 71 71 ASN CB C 71 38.200 38.200 38.365 -0.165 25449 425 1 1 . 1 1 71 71 ASN H H 71 8.600 8.600 8.316 0.284 25449 426 1 1 . 1 1 72 72 PHE N N 72 122.300 122.300 122.320 -0.020 25449 427 1 1 . 1 1 72 72 PHE HA H 72 4.190 4.190 4.577 -0.387 25449 428 1 1 . 1 1 72 72 PHE C C 72 174.100 174.100 174.028 0.072 25449 429 1 1 . 1 1 72 72 PHE CA C 72 58.700 58.700 56.730 1.970 25449 430 1 1 . 1 1 72 72 PHE CB C 72 41.300 41.300 40.661 0.639 25449 431 1 1 . 1 1 72 72 PHE H H 72 7.870 7.870 7.489 0.381 25449 432 1 1 . 1 1 73 73 GLU N N 73 126.100 126.100 127.615 -1.515 25449 433 1 1 . 1 1 73 73 GLU HA H 73 4.230 4.230 4.375 -0.145 25449 434 1 1 . 1 1 73 73 GLU C C 73 173.000 173.000 174.348 -1.348 25449 435 1 1 . 1 1 73 73 GLU CA C 73 55.600 55.600 54.682 0.918 25449 436 1 1 . 1 1 73 73 GLU CB C 73 30.300 30.300 31.280 -0.981 25449 437 1 1 . 1 1 73 73 GLU H H 73 7.690 7.690 8.325 -0.635 25449 438 1 1 . 1 1 74 74 LEU N N 74 128.900 128.900 125.185 3.715 25449 439 1 1 . 1 1 74 74 LEU HA H 74 4.520 4.520 4.233 0.287 25449 440 1 1 . 1 1 74 74 LEU C C 74 175.500 175.500 175.987 -0.487 25449 441 1 1 . 1 1 74 74 LEU CA C 74 53.300 53.300 54.306 -1.006 25449 442 1 1 . 1 1 74 74 LEU CB C 74 44.600 44.600 43.071 1.529 25449 443 1 1 . 1 1 74 74 LEU H H 74 8.620 8.620 8.470 0.150 25449 444 1 1 . 1 1 75 75 ASN N N 75 126.800 126.800 125.170 1.630 25449 445 1 1 . 1 1 75 75 ASN HA H 75 4.210 4.210 4.418 -0.208 25449 446 1 1 . 1 1 75 75 ASN C C 75 175.600 175.600 175.262 0.338 25449 447 1 1 . 1 1 75 75 ASN CA C 75 53.900 53.900 53.487 0.413 25449 448 1 1 . 1 1 75 75 ASN CB C 75 36.900 36.900 36.604 0.296 25449 449 1 1 . 1 1 75 75 ASN H H 75 9.520 9.520 9.261 0.259 25449 450 1 1 . 1 1 76 76 GLY N N 76 102.300 102.300 101.964 0.336 25449 451 1 1 . 1 1 76 76 GLY C C 76 173.600 173.600 173.651 -0.051 25449 452 1 1 . 1 1 76 76 GLY CA C 76 45.300 45.300 45.420 -0.120 25449 453 1 1 . 1 1 76 76 GLY H H 76 8.500 8.500 8.594 -0.094 25449 454 1 1 . 1 1 77 77 LYS N N 77 120.800 120.800 118.932 1.868 25449 455 1 1 . 1 1 77 77 LYS HA H 77 4.570 4.570 4.577 -0.007 25449 456 1 1 . 1 1 77 77 LYS C C 77 175.100 175.100 174.614 0.486 25449 457 1 1 . 1 1 77 77 LYS CA C 77 54.200 54.200 54.665 -0.465 25449 458 1 1 . 1 1 77 77 LYS CB C 77 34.500 34.500 34.831 -0.331 25449 459 1 1 . 1 1 77 77 LYS H H 77 7.580 7.580 7.380 0.200 25449 460 1 1 . 1 1 78 78 ARG N N 78 123.300 123.300 123.738 -0.438 25449 461 1 1 . 1 1 78 78 ARG HA H 78 4.480 4.480 4.506 -0.026 25449 462 1 1 . 1 1 78 78 ARG C C 78 176.600 176.600 175.469 1.131 25449 463 1 1 . 1 1 78 78 ARG CA C 78 55.300 55.300 54.694 0.606 25449 464 1 1 . 1 1 78 78 ARG CB C 78 30.300 30.300 30.606 -0.306 25449 465 1 1 . 1 1 78 78 ARG H H 78 8.580 8.580 8.409 0.171 25449 466 1 1 . 1 1 79 79 ILE N N 79 120.100 120.100 123.389 -3.289 25449 467 1 1 . 1 1 79 79 ILE HA H 79 4.700 4.700 4.489 0.211 25449 468 1 1 . 1 1 79 79 ILE C C 79 175.200 175.200 175.218 -0.018 25449 469 1 1 . 1 1 79 79 ILE CA C 79 60.000 60.000 60.236 -0.236 25449 470 1 1 . 1 1 79 79 ILE CB C 79 39.400 39.400 39.181 0.219 25449 471 1 1 . 1 1 79 79 ILE H H 79 8.450 8.450 8.481 -0.031 25449 472 1 1 . 1 1 80 80 HIS N N 80 119.900 119.900 125.675 -5.775 25449 473 1 1 . 1 1 80 80 HIS HA H 80 5.190 5.190 4.795 0.395 25449 474 1 1 . 1 1 80 80 HIS C C 80 173.600 173.600 174.404 -0.804 25449 475 1 1 . 1 1 80 80 HIS CA C 80 53.800 53.800 55.325 -1.525 25449 476 1 1 . 1 1 80 80 HIS CB C 80 31.300 31.300 31.385 -0.085 25449 477 1 1 . 1 1 80 80 HIS H H 80 8.580 8.580 8.023 0.557 25449 478 1 1 . 1 1 81 81 VAL N N 81 123.800 123.800 125.327 -1.527 25449 479 1 1 . 1 1 81 81 VAL HA H 81 5.280 5.280 5.195 0.085 25449 480 1 1 . 1 1 81 81 VAL C C 81 173.600 173.600 174.515 -0.915 25449 481 1 1 . 1 1 81 81 VAL CA C 81 60.200 60.200 61.245 -1.045 25449 482 1 1 . 1 1 81 81 VAL CB C 81 35.000 35.000 33.538 1.462 25449 483 1 1 . 1 1 81 81 VAL H H 81 8.650 8.650 8.739 -0.089 25449 484 1 1 . 1 1 82 82 ASN N N 82 121.100 121.100 125.058 -3.958 25449 485 1 1 . 1 1 82 82 ASN HA H 82 4.750 4.750 5.037 -0.287 25449 486 1 1 . 1 1 82 82 ASN C C 82 174.000 174.000 172.642 1.358 25449 487 1 1 . 1 1 82 82 ASN CA C 82 51.900 51.900 52.541 -0.641 25449 488 1 1 . 1 1 82 82 ASN CB C 82 42.900 42.900 42.775 0.125 25449 489 1 1 . 1 1 82 82 ASN H H 82 8.890 8.890 8.362 0.528 25449 490 1 1 . 1 1 83 83 TYR N N 83 120.400 120.400 120.681 -0.281 25449 491 1 1 . 1 1 83 83 TYR HA H 83 4.800 4.800 4.810 -0.010 25449 492 1 1 . 1 1 83 83 TYR C C 83 177.100 177.100 175.086 2.014 25449 493 1 1 . 1 1 83 83 TYR CA C 83 59.400 59.400 58.051 1.349 25449 494 1 1 . 1 1 83 83 TYR CB C 83 38.700 38.700 39.592 -0.892 25449 495 1 1 . 1 1 83 83 TYR H H 83 8.480 8.480 8.630 -0.150 25449 496 1 1 . 1 1 84 84 SER N N 84 118.000 118.000 119.119 -1.119 25449 497 1 1 . 1 1 84 84 SER HA H 84 4.520 4.520 4.365 0.155 25449 498 1 1 . 1 1 84 84 SER C C 84 174.100 174.100 172.685 1.415 25449 499 1 1 . 1 1 84 84 SER CA C 84 57.700 57.700 56.230 1.470 25449 500 1 1 . 1 1 84 84 SER CB C 84 64.300 64.300 65.317 -1.017 25449 501 1 1 . 1 1 84 84 SER H H 84 9.040 9.040 7.596 1.444 25449 502 1 1 . 1 1 85 85 LYS N N 85 125.300 125.300 119.971 5.329 25449 503 1 1 . 1 1 85 85 LYS HA H 85 4.440 4.440 4.317 0.123 25449 504 1 1 . 1 1 85 85 LYS C C 85 175.600 175.600 175.579 0.021 25449 505 1 1 . 1 1 85 85 LYS CA C 85 56.300 56.300 55.474 0.826 25449 506 1 1 . 1 1 85 85 LYS CB C 85 33.700 33.700 33.414 0.285 25449 507 1 1 . 1 1 85 85 LYS H H 85 8.410 8.410 8.225 0.185 25449 508 1 2 . 1 1 -1 -1 SER N N -1 115.600 115.600 113.513 2.087 25449 509 1 2 . 1 1 -1 -1 SER HA H -1 4.410 4.410 4.801 -0.391 25449 510 1 2 . 1 1 -1 -1 SER C C -1 172.000 172.000 174.072 -2.072 25449 511 1 2 . 1 1 -1 -1 SER CA C -1 58.200 58.200 58.803 -0.603 25449 512 1 2 . 1 1 -1 -1 SER CB C -1 63.900 63.900 65.222 -1.322 25449 513 1 2 . 1 1 -1 -1 SER H H -1 8.670 8.670 8.525 0.144 25449 514 1 2 . 1 1 0 0 HIS N N 0 121.200 121.200 119.290 1.910 25449 515 1 2 . 1 1 0 0 HIS HA H 0 4.590 4.590 4.643 -0.053 25449 516 1 2 . 1 1 0 0 HIS C C 0 174.800 174.800 174.704 0.096 25449 517 1 2 . 1 1 0 0 HIS CA C 0 56.100 56.100 55.645 0.455 25449 518 1 2 . 1 1 0 0 HIS CB C 0 29.900 29.900 31.963 -2.063 25449 519 1 2 . 1 1 0 0 HIS H H 0 8.730 8.730 7.969 0.761 25449 520 1 2 . 1 1 1 1 MET N N 1 121.800 121.800 121.181 0.619 25449 521 1 2 . 1 1 1 1 MET HA H 1 4.370 4.370 4.165 0.205 25449 522 1 2 . 1 1 1 1 MET C C 1 176.300 176.300 174.262 2.038 25449 523 1 2 . 1 1 1 1 MET CA C 1 55.700 55.700 56.118 -0.418 25449 524 1 2 . 1 1 1 1 MET CB C 1 32.800 32.800 31.395 1.405 25449 525 1 2 . 1 1 1 1 MET H H 1 8.450 8.450 8.405 0.045 25449 526 1 2 . 1 1 2 2 SER N N 2 116.700 116.700 116.274 0.426 25449 527 1 2 . 1 1 2 2 SER HA H 2 4.370 4.370 4.535 -0.165 25449 528 1 2 . 1 1 2 2 SER C C 2 174.200 174.200 172.998 1.202 25449 529 1 2 . 1 1 2 2 SER CA C 2 58.400 58.400 58.412 -0.012 25449 530 1 2 . 1 1 2 2 SER CB C 2 63.800 63.800 63.818 -0.018 25449 531 1 2 . 1 1 2 2 SER H H 2 8.410 8.410 7.545 0.865 25449 532 1 2 . 1 1 3 3 ASP N N 3 122.100 122.100 124.963 -2.863 25449 533 1 2 . 1 1 3 3 ASP HA H 3 4.550 4.550 4.598 -0.048 25449 534 1 2 . 1 1 3 3 ASP C C 3 176.100 176.100 174.562 1.538 25449 535 1 2 . 1 1 3 3 ASP CA C 3 54.500 54.500 54.724 -0.224 25449 536 1 2 . 1 1 3 3 ASP CB C 3 41.200 41.200 40.914 0.286 25449 537 1 2 . 1 1 3 3 ASP H H 3 8.340 8.340 8.472 -0.132 25449 538 1 2 . 1 1 4 4 ASN N N 4 119.100 119.100 116.821 2.279 25449 539 1 2 . 1 1 4 4 ASN HA H 4 4.580 4.580 4.734 -0.154 25449 540 1 2 . 1 1 4 4 ASN C C 4 174.900 174.900 174.238 0.662 25449 541 1 2 . 1 1 4 4 ASN CA C 4 53.700 53.700 52.507 1.193 25449 542 1 2 . 1 1 4 4 ASN CB C 4 38.900 38.900 39.151 -0.251 25449 543 1 2 . 1 1 4 4 ASN H H 4 8.420 8.420 7.861 0.559 25449 544 1 2 . 1 1 5 5 ASN N N 5 118.400 118.400 116.920 1.480 25449 545 1 2 . 1 1 5 5 ASN HA H 5 4.540 4.540 4.569 -0.029 25449 546 1 2 . 1 1 5 5 ASN C C 5 173.900 173.900 174.673 -0.773 25449 547 1 2 . 1 1 5 5 ASN CA C 5 53.200 53.200 53.771 -0.571 25449 548 1 2 . 1 1 5 5 ASN CB C 5 38.700 38.700 38.351 0.349 25449 549 1 2 . 1 1 5 5 ASN H H 5 8.340 8.340 8.529 -0.189 25449 550 1 2 . 1 1 6 6 ALA N N 6 122.100 122.100 119.406 2.694 25449 551 1 2 . 1 1 6 6 ALA HA H 6 2.740 2.740 3.717 -0.977 25449 552 1 2 . 1 1 6 6 ALA C C 6 177.000 177.000 176.353 0.647 25449 553 1 2 . 1 1 6 6 ALA CA C 6 52.300 52.300 52.412 -0.112 25449 554 1 2 . 1 1 6 6 ALA CB C 6 20.000 20.000 18.643 1.357 25449 555 1 2 . 1 1 6 6 ALA H H 6 7.590 7.590 7.468 0.122 25449 556 1 2 . 1 1 7 7 THR N N 7 112.700 112.700 118.791 -6.091 25449 557 1 2 . 1 1 7 7 THR HA H 7 4.390 4.390 4.413 -0.023 25449 558 1 2 . 1 1 7 7 THR C C 7 171.700 171.700 175.218 -3.518 25449 559 1 2 . 1 1 7 7 THR CA C 7 59.800 59.800 60.788 -0.988 25449 560 1 2 . 1 1 7 7 THR CB C 7 70.600 70.600 70.162 0.438 25449 561 1 2 . 1 1 7 7 THR H H 7 6.840 6.840 8.127 -1.287 25449 562 1 2 . 1 1 8 8 ASP N N 8 114.600 114.600 122.700 -8.100 25449 563 1 2 . 1 1 8 8 ASP HA H 8 4.490 4.490 4.285 0.205 25449 564 1 2 . 1 1 8 8 ASP C C 8 174.300 174.300 174.297 0.003 25449 565 1 2 . 1 1 8 8 ASP CA C 8 53.500 53.500 55.807 -2.307 25449 566 1 2 . 1 1 8 8 ASP CB C 8 39.800 39.800 39.957 -0.157 25449 567 1 2 . 1 1 8 8 ASP H H 8 8.170 8.170 8.807 -0.637 25449 568 1 2 . 1 1 9 9 ILE N N 9 117.800 117.800 118.725 -0.925 25449 569 1 2 . 1 1 9 9 ILE HA H 9 4.810 4.810 5.131 -0.321 25449 570 1 2 . 1 1 9 9 ILE C C 9 174.700 174.700 174.394 0.306 25449 571 1 2 . 1 1 9 9 ILE CA C 9 60.600 60.600 60.235 0.365 25449 572 1 2 . 1 1 9 9 ILE CB C 9 40.300 40.300 40.665 -0.365 25449 573 1 2 . 1 1 9 9 ILE H H 9 7.890 7.890 7.539 0.351 25449 574 1 2 . 1 1 10 10 LEU N N 10 125.300 125.300 127.546 -2.246 25449 575 1 2 . 1 1 10 10 LEU HA H 10 4.960 4.960 4.907 0.053 25449 576 1 2 . 1 1 10 10 LEU C C 10 176.100 176.100 175.330 0.770 25449 577 1 2 . 1 1 10 10 LEU CA C 10 52.900 52.900 54.012 -1.112 25449 578 1 2 . 1 1 10 10 LEU CB C 10 43.100 43.100 44.510 -1.410 25449 579 1 2 . 1 1 10 10 LEU H H 10 9.370 9.370 8.209 1.161 25449 580 1 2 . 1 1 11 11 PHE N N 11 124.300 124.300 127.977 -3.677 25449 581 1 2 . 1 1 11 11 PHE HA H 11 4.670 4.670 4.747 -0.077 25449 582 1 2 . 1 1 11 11 PHE C C 11 173.400 173.400 173.795 -0.395 25449 583 1 2 . 1 1 11 11 PHE CA C 11 57.000 57.000 57.217 -0.217 25449 584 1 2 . 1 1 11 11 PHE CB C 11 40.700 40.700 39.967 0.733 25449 585 1 2 . 1 1 11 11 PHE H H 11 9.310 9.310 8.723 0.587 25449 586 1 2 . 1 1 12 12 VAL N N 12 128.300 128.300 128.771 -0.471 25449 587 1 2 . 1 1 12 12 VAL HA H 12 4.420 4.420 4.351 0.069 25449 588 1 2 . 1 1 12 12 VAL C C 12 173.900 173.900 175.257 -1.357 25449 589 1 2 . 1 1 12 12 VAL CA C 12 60.200 60.200 60.272 -0.072 25449 590 1 2 . 1 1 12 12 VAL CB C 12 33.100 33.100 31.063 2.037 25449 591 1 2 . 1 1 12 12 VAL H H 12 8.380 8.380 7.717 0.663 25449 592 1 2 . 1 1 13 13 GLY N N 13 111.800 111.800 111.376 0.424 25449 593 1 2 . 1 1 13 13 GLY C C 13 173.800 173.800 173.901 -0.101 25449 594 1 2 . 1 1 13 13 GLY CA C 13 43.400 43.400 43.046 0.354 25449 595 1 2 . 1 1 13 13 GLY H H 13 9.150 9.150 7.336 1.814 25449 596 1 2 . 1 1 14 14 GLY N N 14 107.600 107.600 107.944 -0.344 25449 597 1 2 . 1 1 14 14 GLY C C 14 175.400 175.400 174.116 1.284 25449 598 1 2 . 1 1 14 14 GLY CA C 14 45.800 45.800 44.974 0.826 25449 599 1 2 . 1 1 14 14 GLY H H 14 8.260 8.260 8.372 -0.112 25449 600 1 2 . 1 1 15 15 ILE N N 15 111.100 111.100 115.552 -4.452 25449 601 1 2 . 1 1 15 15 ILE HA H 15 4.040 4.040 4.424 -0.384 25449 602 1 2 . 1 1 15 15 ILE C C 15 175.500 175.500 174.590 0.910 25449 603 1 2 . 1 1 15 15 ILE CA C 15 60.500 60.500 58.937 1.563 25449 604 1 2 . 1 1 15 15 ILE CB C 15 38.500 38.500 39.349 -0.849 25449 605 1 2 . 1 1 15 15 ILE H H 15 6.930 6.930 7.143 -0.213 25449 606 1 2 . 1 1 16 16 ASP N N 16 122.800 122.800 122.863 -0.063 25449 607 1 2 . 1 1 16 16 ASP HA H 16 4.580 4.580 4.450 0.130 25449 608 1 2 . 1 1 16 16 ASP C C 16 177.200 177.200 176.791 0.409 25449 609 1 2 . 1 1 16 16 ASP CA C 16 53.700 53.700 54.423 -0.723 25449 610 1 2 . 1 1 16 16 ASP CB C 16 42.500 42.500 42.331 0.169 25449 611 1 2 . 1 1 16 16 ASP H H 16 8.320 8.320 8.560 -0.240 25449 612 1 2 . 1 1 17 17 GLU N N 17 119.600 119.600 117.853 1.747 25449 613 1 2 . 1 1 17 17 GLU HA H 17 4.140 4.140 4.308 -0.168 25449 614 1 2 . 1 1 17 17 GLU C C 17 176.800 176.800 176.181 0.619 25449 615 1 2 . 1 1 17 17 GLU CA C 17 58.600 58.600 57.230 1.370 25449 616 1 2 . 1 1 17 17 GLU CB C 17 29.800 29.800 29.188 0.612 25449 617 1 2 . 1 1 17 17 GLU H H 17 8.830 8.830 8.639 0.191 25449 618 1 2 . 1 1 18 18 THR N N 18 111.300 111.300 115.674 -4.374 25449 619 1 2 . 1 1 18 18 THR HA H 18 4.250 4.250 4.446 -0.196 25449 620 1 2 . 1 1 18 18 THR C C 18 175.200 175.200 173.795 1.405 25449 621 1 2 . 1 1 18 18 THR CA C 18 62.600 62.600 61.185 1.415 25449 622 1 2 . 1 1 18 18 THR CB C 18 69.600 69.600 69.254 0.346 25449 623 1 2 . 1 1 18 18 THR H H 18 8.740 8.740 8.046 0.694 25449 624 1 2 . 1 1 19 19 ILE N N 19 123.300 123.300 116.966 6.334 25449 625 1 2 . 1 1 19 19 ILE HA H 19 3.880 3.880 4.426 -0.546 25449 626 1 2 . 1 1 19 19 ILE C C 19 174.300 174.300 174.327 -0.027 25449 627 1 2 . 1 1 19 19 ILE CA C 19 59.900 59.900 58.377 1.524 25449 628 1 2 . 1 1 19 19 ILE CB C 19 35.600 35.600 38.939 -3.339 25449 629 1 2 . 1 1 19 19 ILE H H 19 7.220 7.220 7.302 -0.082 25449 630 1 2 . 1 1 20 20 ASP N N 20 125.600 125.600 120.754 4.846 25449 631 1 2 . 1 1 20 20 ASP HA H 20 4.640 4.640 4.752 -0.112 25449 632 1 2 . 1 1 20 20 ASP C C 20 175.300 175.300 176.505 -1.205 25449 633 1 2 . 1 1 20 20 ASP CA C 20 51.500 51.500 53.069 -1.569 25449 634 1 2 . 1 1 20 20 ASP CB C 20 43.000 43.000 43.656 -0.656 25449 635 1 2 . 1 1 20 20 ASP H H 20 7.790 7.790 7.834 -0.044 25449 636 1 2 . 1 1 21 21 GLU N N 21 118.400 118.400 121.480 -3.080 25449 637 1 2 . 1 1 21 21 GLU HA H 21 3.630 3.630 3.969 -0.339 25449 638 1 2 . 1 1 21 21 GLU C C 21 177.900 177.900 178.220 -0.320 25449 639 1 2 . 1 1 21 21 GLU CA C 21 60.900 60.900 59.953 0.948 25449 640 1 2 . 1 1 21 21 GLU CB C 21 29.200 29.200 29.832 -0.632 25449 641 1 2 . 1 1 21 21 GLU H H 21 9.220 9.220 8.996 0.224 25449 642 1 2 . 1 1 22 22 LYS N N 22 119.700 119.700 117.939 1.761 25449 643 1 2 . 1 1 22 22 LYS HA H 22 4.060 4.060 4.220 -0.160 25449 644 1 2 . 1 1 22 22 LYS C C 22 178.500 178.500 178.975 -0.475 25449 645 1 2 . 1 1 22 22 LYS CA C 22 59.300 59.300 58.650 0.650 25449 646 1 2 . 1 1 22 22 LYS CB C 22 31.800 31.800 31.690 0.110 25449 647 1 2 . 1 1 22 22 LYS H H 22 8.040 8.040 8.220 -0.180 25449 648 1 2 . 1 1 23 23 SER N N 23 114.900 114.900 116.307 -1.407 25449 649 1 2 . 1 1 23 23 SER HA H 23 4.300 4.300 4.247 0.053 25449 650 1 2 . 1 1 23 23 SER C C 23 177.600 177.600 176.422 1.178 25449 651 1 2 . 1 1 23 23 SER CA C 23 61.800 61.800 61.165 0.635 25449 652 1 2 . 1 1 23 23 SER CB C 23 62.900 62.900 62.845 0.055 25449 653 1 2 . 1 1 23 23 SER H H 23 8.240 8.240 8.019 0.221 25449 654 1 2 . 1 1 24 24 LEU N N 24 118.800 118.800 121.635 -2.835 25449 655 1 2 . 1 1 24 24 LEU HA H 24 4.180 4.180 4.136 0.044 25449 656 1 2 . 1 1 24 24 LEU C C 24 178.700 178.700 178.786 -0.086 25449 657 1 2 . 1 1 24 24 LEU CA C 24 57.300 57.300 57.004 0.296 25449 658 1 2 . 1 1 24 24 LEU CB C 24 42.100 42.100 41.542 0.558 25449 659 1 2 . 1 1 24 24 LEU H H 24 7.750 7.750 7.506 0.244 25449 660 1 2 . 1 1 25 25 TYR N N 25 123.200 123.200 121.395 1.805 25449 661 1 2 . 1 1 25 25 TYR HA H 25 3.630 3.630 4.065 -0.435 25449 662 1 2 . 1 1 25 25 TYR C C 25 178.600 178.600 177.158 1.442 25449 663 1 2 . 1 1 25 25 TYR CA C 25 63.200 63.200 60.661 2.539 25449 664 1 2 . 1 1 25 25 TYR CB C 25 38.200 38.200 38.257 -0.057 25449 665 1 2 . 1 1 25 25 TYR H H 25 8.970 8.970 7.588 1.382 25449 666 1 2 . 1 1 26 26 ASP N N 26 119.800 119.800 118.001 1.799 25449 667 1 2 . 1 1 26 26 ASP HA H 26 4.270 4.270 4.519 -0.249 25449 668 1 2 . 1 1 26 26 ASP C C 26 177.900 177.900 178.134 -0.234 25449 669 1 2 . 1 1 26 26 ASP CA C 26 57.700 57.700 57.665 0.035 25449 670 1 2 . 1 1 26 26 ASP CB C 26 40.000 40.000 40.796 -0.796 25449 671 1 2 . 1 1 26 26 ASP H H 26 8.510 8.510 7.835 0.675 25449 672 1 2 . 1 1 27 27 ILE N N 27 114.700 114.700 118.351 -3.651 25449 673 1 2 . 1 1 27 27 ILE HA H 27 3.960 3.960 3.941 0.019 25449 674 1 2 . 1 1 27 27 ILE C C 27 177.700 177.700 177.769 -0.069 25449 675 1 2 . 1 1 27 27 ILE CA C 27 63.300 63.300 64.568 -1.268 25449 676 1 2 . 1 1 27 27 ILE CB C 27 39.000 39.000 38.432 0.568 25449 677 1 2 . 1 1 27 27 ILE H H 27 7.320 7.320 7.520 -0.200 25449 678 1 2 . 1 1 28 28 PHE N N 28 116.900 116.900 117.763 -0.863 25449 679 1 2 . 1 1 28 28 PHE HA H 28 4.370 4.370 4.509 -0.139 25449 680 1 2 . 1 1 28 28 PHE C C 28 179.900 179.900 176.842 3.058 25449 681 1 2 . 1 1 28 28 PHE CA C 28 62.300 62.300 59.544 2.756 25449 682 1 2 . 1 1 28 28 PHE CB C 28 37.300 37.300 38.545 -1.246 25449 683 1 2 . 1 1 28 28 PHE H H 28 8.650 8.650 7.927 0.723 25449 684 1 2 . 1 1 29 29 SER N N 29 120.100 120.100 112.457 7.643 25449 685 1 2 . 1 1 29 29 SER HA H 29 4.410 4.410 4.782 -0.372 25449 686 1 2 . 1 1 29 29 SER C C 29 175.600 175.600 175.378 0.222 25449 687 1 2 . 1 1 29 29 SER CA C 29 61.300 61.300 58.907 2.393 25449 688 1 2 . 1 1 29 29 SER CB C 29 62.200 62.200 63.312 -1.112 25449 689 1 2 . 1 1 29 29 SER H H 29 8.880 8.880 7.784 1.096 25449 690 1 2 . 1 1 30 30 SER N N 30 116.200 116.200 117.434 -1.234 25449 691 1 2 . 1 1 30 30 SER HA H 30 3.940 3.940 4.295 -0.355 25449 692 1 2 . 1 1 30 30 SER C C 30 174.900 174.900 175.443 -0.543 25449 693 1 2 . 1 1 30 30 SER CA C 30 60.400 60.400 60.857 -0.457 25449 694 1 2 . 1 1 30 30 SER CB C 30 62.400 62.400 63.311 -0.911 25449 695 1 2 . 1 1 30 30 SER H H 30 7.270 7.270 8.096 -0.826 25449 696 1 2 . 1 1 31 31 PHE N N 31 115.600 115.600 121.970 -6.370 25449 697 1 2 . 1 1 31 31 PHE HA H 31 4.280 4.280 4.607 -0.327 25449 698 1 2 . 1 1 31 31 PHE C C 31 174.100 174.100 176.288 -2.188 25449 699 1 2 . 1 1 31 31 PHE CA C 31 58.900 58.900 59.080 -0.180 25449 700 1 2 . 1 1 31 31 PHE CB C 31 39.300 39.300 40.244 -0.944 25449 701 1 2 . 1 1 31 31 PHE H H 31 6.980 6.980 7.973 -0.993 25449 702 1 2 . 1 1 32 32 GLY N N 32 104.900 104.900 107.326 -2.426 25449 703 1 2 . 1 1 32 32 GLY C C 32 171.600 171.600 173.028 -1.428 25449 704 1 2 . 1 1 32 32 GLY CA C 32 44.300 44.300 44.620 -0.320 25449 705 1 2 . 1 1 32 32 GLY H H 32 7.300 7.300 7.662 -0.362 25449 706 1 2 . 1 1 33 33 ASP N N 33 116.100 116.100 126.073 -9.973 25449 707 1 2 . 1 1 33 33 ASP HA H 33 4.510 4.510 4.524 -0.014 25449 708 1 2 . 1 1 33 33 ASP C C 33 176.800 176.800 174.570 2.230 25449 709 1 2 . 1 1 33 33 ASP CA C 33 55.400 55.400 55.695 -0.295 25449 710 1 2 . 1 1 33 33 ASP CB C 33 40.600 40.600 42.434 -1.834 25449 711 1 2 . 1 1 33 33 ASP H H 33 8.120 8.120 8.320 -0.200 25449 712 1 2 . 1 1 34 34 ILE N N 34 126.400 126.400 118.958 7.442 25449 713 1 2 . 1 1 34 34 ILE HA H 34 3.850 3.850 4.108 -0.258 25449 714 1 2 . 1 1 34 34 ILE C C 34 176.200 176.200 176.359 -0.159 25449 715 1 2 . 1 1 34 34 ILE CA C 34 60.200 60.200 58.284 1.916 25449 716 1 2 . 1 1 34 34 ILE CB C 34 39.900 39.900 38.826 1.074 25449 717 1 2 . 1 1 34 34 ILE H H 34 8.670 8.670 8.172 0.498 25449 718 1 2 . 1 1 35 35 ARG N N 35 128.900 128.900 127.443 1.457 25449 719 1 2 . 1 1 35 35 ARG HA H 35 4.160 4.160 4.154 0.006 25449 720 1 2 . 1 1 35 35 ARG C C 35 175.600 175.600 176.241 -0.641 25449 721 1 2 . 1 1 35 35 ARG CA C 35 57.500 57.500 57.724 -0.224 25449 722 1 2 . 1 1 35 35 ARG CB C 35 31.700 31.700 31.053 0.647 25449 723 1 2 . 1 1 35 35 ARG H H 35 9.320 9.320 8.609 0.711 25449 724 1 2 . 1 1 36 36 ASN N N 36 114.300 114.300 115.408 -1.108 25449 725 1 2 . 1 1 36 36 ASN HA H 36 4.710 4.710 4.783 -0.073 25449 726 1 2 . 1 1 36 36 ASN C C 36 172.000 172.000 172.987 -0.987 25449 727 1 2 . 1 1 36 36 ASN CA C 36 53.500 53.500 53.464 0.036 25449 728 1 2 . 1 1 36 36 ASN CB C 36 42.600 42.600 40.628 1.972 25449 729 1 2 . 1 1 36 36 ASN H H 36 7.620 7.620 8.069 -0.449 25449 730 1 2 . 1 1 37 37 ILE N N 37 122.700 122.700 123.480 -0.780 25449 731 1 2 . 1 1 37 37 ILE HA H 37 4.770 4.770 4.519 0.251 25449 732 1 2 . 1 1 37 37 ILE C C 37 173.300 173.300 174.899 -1.599 25449 733 1 2 . 1 1 37 37 ILE CA C 37 60.600 60.600 60.690 -0.090 25449 734 1 2 . 1 1 37 37 ILE CB C 37 41.200 41.200 39.545 1.655 25449 735 1 2 . 1 1 37 37 ILE H H 37 8.030 8.030 8.468 -0.438 25449 736 1 2 . 1 1 38 38 GLU N N 38 126.700 126.700 128.727 -2.027 25449 737 1 2 . 1 1 38 38 GLU HA H 38 4.660 4.660 4.641 0.019 25449 738 1 2 . 1 1 38 38 GLU C C 38 174.800 174.800 174.197 0.603 25449 739 1 2 . 1 1 38 38 GLU CA C 38 54.400 54.400 55.390 -0.990 25449 740 1 2 . 1 1 38 38 GLU CB C 38 33.400 33.400 31.038 2.362 25449 741 1 2 . 1 1 38 38 GLU H H 38 8.870 8.870 8.515 0.355 25449 742 1 2 . 1 1 39 39 VAL N N 39 126.400 126.400 127.437 -1.037 25449 743 1 2 . 1 1 39 39 VAL CA C 39 58.700 58.700 58.947 -0.247 25449 744 1 2 . 1 1 39 39 VAL CB C 39 32.600 32.600 32.897 -0.297 25449 745 1 2 . 1 1 39 39 VAL H H 39 8.970 8.970 8.334 0.636 25449 746 1 2 . 1 1 40 40 PRO HA H 40 4.230 4.230 4.362 -0.132 25449 747 1 2 . 1 1 40 40 PRO C C 40 176.300 176.300 175.263 1.037 25449 748 1 2 . 1 1 40 40 PRO CA C 40 63.300 63.300 62.905 0.395 25449 749 1 2 . 1 1 40 40 PRO CB C 40 32.500 32.500 32.241 0.259 25449 750 1 2 . 1 1 41 41 LEU N N 41 120.700 120.700 122.302 -1.602 25449 751 1 2 . 1 1 41 41 LEU HA H 41 4.520 4.520 4.778 -0.258 25449 752 1 2 . 1 1 41 41 LEU C C 41 177.900 177.900 175.846 2.054 25449 753 1 2 . 1 1 41 41 LEU CA C 41 53.100 53.100 53.449 -0.349 25449 754 1 2 . 1 1 41 41 LEU CB C 41 44.300 44.300 46.379 -2.079 25449 755 1 2 . 1 1 41 41 LEU H H 41 8.520 8.520 8.095 0.425 25449 756 1 2 . 1 1 42 42 ASN N N 42 121.400 121.400 119.912 1.488 25449 757 1 2 . 1 1 42 42 ASN HA H 42 4.560 4.560 4.949 -0.389 25449 758 1 2 . 1 1 42 42 ASN C C 42 176.700 176.700 176.241 0.459 25449 759 1 2 . 1 1 42 42 ASN CA C 42 52.900 52.900 52.070 0.830 25449 760 1 2 . 1 1 42 42 ASN CB C 42 39.000 39.000 40.351 -1.351 25449 761 1 2 . 1 1 42 42 ASN H H 42 8.740 8.740 8.373 0.367 25449 762 1 2 . 1 1 43 43 MET N N 43 125.500 125.500 123.495 2.005 25449 763 1 2 . 1 1 43 43 MET HA H 43 4.210 4.210 4.510 -0.300 25449 764 1 2 . 1 1 43 43 MET C C 43 177.200 177.200 176.733 0.467 25449 765 1 2 . 1 1 43 43 MET CA C 43 57.100 57.100 56.869 0.231 25449 766 1 2 . 1 1 43 43 MET CB C 43 31.600 31.600 32.060 -0.460 25449 767 1 2 . 1 1 43 43 MET H H 43 9.080 9.080 8.905 0.175 25449 768 1 2 . 1 1 44 44 THR N N 44 114.400 114.400 113.790 0.610 25449 769 1 2 . 1 1 44 44 THR HA H 44 4.160 4.160 4.368 -0.208 25449 770 1 2 . 1 1 44 44 THR C C 44 175.900 175.900 175.706 0.194 25449 771 1 2 . 1 1 44 44 THR CA C 44 65.200 65.200 63.986 1.214 25449 772 1 2 . 1 1 44 44 THR CB C 44 68.700 68.700 69.248 -0.548 25449 773 1 2 . 1 1 44 44 THR H H 44 8.590 8.590 7.979 0.611 25449 774 1 2 . 1 1 45 45 THR N N 45 110.300 110.300 111.409 -1.109 25449 775 1 2 . 1 1 45 45 THR HA H 45 4.160 4.160 4.411 -0.251 25449 776 1 2 . 1 1 45 45 THR C C 45 175.500 175.500 174.247 1.253 25449 777 1 2 . 1 1 45 45 THR CA C 45 62.000 62.000 61.478 0.522 25449 778 1 2 . 1 1 45 45 THR CB C 45 70.000 70.000 69.814 0.186 25449 779 1 2 . 1 1 45 45 THR H H 45 7.610 7.610 7.601 0.009 25449 780 1 2 . 1 1 46 46 LYS N N 46 115.700 115.700 119.714 -4.014 25449 781 1 2 . 1 1 46 46 LYS HA H 46 3.720 3.720 3.920 -0.200 25449 782 1 2 . 1 1 46 46 LYS C C 46 174.600 174.600 175.413 -0.813 25449 783 1 2 . 1 1 46 46 LYS CA C 46 57.600 57.600 57.385 0.215 25449 784 1 2 . 1 1 46 46 LYS CB C 46 28.900 28.900 30.721 -1.821 25449 785 1 2 . 1 1 46 46 LYS H H 46 8.460 8.460 8.036 0.424 25449 786 1 2 . 1 1 47 47 LYS N N 47 117.100 117.100 117.867 -0.767 25449 787 1 2 . 1 1 47 47 LYS HA H 47 4.680 4.680 4.136 0.544 25449 788 1 2 . 1 1 47 47 LYS C C 47 176.300 176.300 176.866 -0.566 25449 789 1 2 . 1 1 47 47 LYS CA C 47 54.000 54.000 56.872 -2.872 25449 790 1 2 . 1 1 47 47 LYS CB C 47 35.100 35.100 32.660 2.440 25449 791 1 2 . 1 1 47 47 LYS H H 47 7.610 7.610 7.368 0.242 25449 792 1 2 . 1 1 48 48 ASN N N 48 117.700 117.700 119.414 -1.714 25449 793 1 2 . 1 1 48 48 ASN HA H 48 4.700 4.700 4.828 -0.128 25449 794 1 2 . 1 1 48 48 ASN C C 48 174.000 174.000 175.250 -1.250 25449 795 1 2 . 1 1 48 48 ASN CA C 48 53.600 53.600 52.074 1.526 25449 796 1 2 . 1 1 48 48 ASN CB C 48 37.700 37.700 39.112 -1.412 25449 797 1 2 . 1 1 48 48 ASN H H 48 8.740 8.740 8.730 0.010 25449 798 1 2 . 1 1 49 49 ARG N N 49 116.800 116.800 117.202 -0.402 25449 799 1 2 . 1 1 49 49 ARG HA H 49 4.350 4.350 4.040 0.310 25449 800 1 2 . 1 1 49 49 ARG C C 49 177.500 177.500 176.531 0.969 25449 801 1 2 . 1 1 49 49 ARG CA C 49 55.600 55.600 56.659 -1.059 25449 802 1 2 . 1 1 49 49 ARG CB C 49 31.600 31.600 27.191 4.410 25449 803 1 2 . 1 1 49 49 ARG H H 49 8.530 8.530 8.076 0.454 25449 804 1 2 . 1 1 50 50 GLY N N 50 108.300 108.300 106.414 1.886 25449 805 1 2 . 1 1 50 50 GLY C C 50 173.500 173.500 173.530 -0.030 25449 806 1 2 . 1 1 50 50 GLY CA C 50 45.800 45.800 45.377 0.423 25449 807 1 2 . 1 1 50 50 GLY H H 50 8.900 8.900 8.845 0.055 25449 808 1 2 . 1 1 51 51 PHE N N 51 113.900 113.900 116.548 -2.648 25449 809 1 2 . 1 1 51 51 PHE HA H 51 5.470 5.470 4.713 0.757 25449 810 1 2 . 1 1 51 51 PHE C C 51 172.000 172.000 172.140 -0.140 25449 811 1 2 . 1 1 51 51 PHE CA C 51 55.000 55.000 56.271 -1.271 25449 812 1 2 . 1 1 51 51 PHE CB C 51 42.700 42.700 40.542 2.158 25449 813 1 2 . 1 1 51 51 PHE H H 51 6.910 6.910 7.383 -0.473 25449 814 1 2 . 1 1 52 52 ALA N N 52 120.500 120.500 124.917 -4.417 25449 815 1 2 . 1 1 52 52 ALA HA H 52 4.630 4.630 3.947 0.683 25449 816 1 2 . 1 1 52 52 ALA C C 52 173.900 173.900 174.430 -0.530 25449 817 1 2 . 1 1 52 52 ALA CA C 52 50.200 50.200 51.161 -0.961 25449 818 1 2 . 1 1 52 52 ALA CB C 52 25.100 25.100 21.712 3.388 25449 819 1 2 . 1 1 52 52 ALA H H 52 8.810 8.810 7.584 1.226 25449 820 1 2 . 1 1 53 53 PHE N N 53 115.000 115.000 119.555 -4.555 25449 821 1 2 . 1 1 53 53 PHE HA H 53 5.660 5.660 4.826 0.834 25449 822 1 2 . 1 1 53 53 PHE C C 53 175.600 175.600 174.782 0.818 25449 823 1 2 . 1 1 53 53 PHE CA C 53 56.200 56.200 55.666 0.534 25449 824 1 2 . 1 1 53 53 PHE CB C 53 42.400 42.400 41.267 1.133 25449 825 1 2 . 1 1 53 53 PHE H H 53 8.730 8.730 7.778 0.952 25449 826 1 2 . 1 1 54 54 VAL N N 54 122.300 122.300 121.735 0.565 25449 827 1 2 . 1 1 54 54 VAL HA H 54 4.100 4.100 4.267 -0.167 25449 828 1 2 . 1 1 54 54 VAL C C 54 173.000 173.000 174.345 -1.345 25449 829 1 2 . 1 1 54 54 VAL CA C 54 61.700 61.700 61.534 0.166 25449 830 1 2 . 1 1 54 54 VAL CB C 54 34.400 34.400 34.459 -0.059 25449 831 1 2 . 1 1 54 54 VAL H H 54 9.060 9.060 8.325 0.735 25449 832 1 2 . 1 1 55 55 GLU N N 55 127.300 127.300 126.764 0.536 25449 833 1 2 . 1 1 55 55 GLU HA H 55 5.160 5.160 4.796 0.364 25449 834 1 2 . 1 1 55 55 GLU C C 55 175.900 175.900 175.746 0.154 25449 835 1 2 . 1 1 55 55 GLU CA C 55 54.000 54.000 54.469 -0.469 25449 836 1 2 . 1 1 55 55 GLU CB C 55 31.700 31.700 31.228 0.472 25449 837 1 2 . 1 1 55 55 GLU H H 55 8.860 8.860 8.320 0.540 25449 838 1 2 . 1 1 56 56 TYR N N 56 127.500 127.500 124.341 3.159 25449 839 1 2 . 1 1 56 56 TYR HA H 56 4.520 4.520 4.503 0.017 25449 840 1 2 . 1 1 56 56 TYR C C 56 175.000 175.000 176.386 -1.386 25449 841 1 2 . 1 1 56 56 TYR CA C 56 59.700 59.700 59.111 0.589 25449 842 1 2 . 1 1 56 56 TYR CB C 56 40.200 40.200 40.133 0.067 25449 843 1 2 . 1 1 56 56 TYR H H 56 9.470 9.470 8.279 1.191 25449 844 1 2 . 1 1 57 57 VAL N N 57 119.200 119.200 118.917 0.283 25449 845 1 2 . 1 1 57 57 VAL HA H 57 3.570 3.570 4.043 -0.473 25449 846 1 2 . 1 1 57 57 VAL C C 57 177.000 177.000 175.014 1.986 25449 847 1 2 . 1 1 57 57 VAL CA C 57 66.300 66.300 63.769 2.531 25449 848 1 2 . 1 1 57 57 VAL CB C 57 32.000 32.000 32.584 -0.584 25449 849 1 2 . 1 1 57 57 VAL H H 57 7.800 7.800 8.629 -0.829 25449 850 1 2 . 1 1 58 58 GLU N N 58 118.500 118.500 119.470 -0.970 25449 851 1 2 . 1 1 58 58 GLU HA H 58 4.780 4.780 4.597 0.183 25449 852 1 2 . 1 1 58 58 GLU C C 58 177.500 177.500 176.494 1.006 25449 853 1 2 . 1 1 58 58 GLU CA C 58 53.800 53.800 55.213 -1.413 25449 854 1 2 . 1 1 58 58 GLU CB C 58 30.500 30.500 30.667 -0.167 25449 855 1 2 . 1 1 58 58 GLU H H 58 9.530 9.530 8.092 1.438 25449 856 1 2 . 1 1 59 59 VAL N N 59 125.200 125.200 124.991 0.209 25449 857 1 2 . 1 1 59 59 VAL HA H 59 3.530 3.530 3.831 -0.301 25449 858 1 2 . 1 1 59 59 VAL C C 59 177.600 177.600 177.011 0.589 25449 859 1 2 . 1 1 59 59 VAL CA C 59 66.100 66.100 64.984 1.116 25449 860 1 2 . 1 1 59 59 VAL CB C 59 31.700 31.700 32.246 -0.546 25449 861 1 2 . 1 1 59 59 VAL H H 59 8.650 8.650 8.666 -0.016 25449 862 1 2 . 1 1 60 60 ASP N N 60 118.500 118.500 119.367 -0.867 25449 863 1 2 . 1 1 60 60 ASP HA H 60 4.220 4.220 4.442 -0.222 25449 864 1 2 . 1 1 60 60 ASP C C 60 178.300 178.300 177.675 0.625 25449 865 1 2 . 1 1 60 60 ASP CA C 60 57.600 57.600 57.606 -0.006 25449 866 1 2 . 1 1 60 60 ASP CB C 60 40.500 40.500 40.568 -0.068 25449 867 1 2 . 1 1 60 60 ASP H H 60 8.970 8.970 8.527 0.443 25449 868 1 2 . 1 1 61 61 ASP N N 61 119.900 119.900 119.978 -0.078 25449 869 1 2 . 1 1 61 61 ASP HA H 61 4.360 4.360 4.446 -0.086 25449 870 1 2 . 1 1 61 61 ASP C C 61 176.800 176.800 178.316 -1.516 25449 871 1 2 . 1 1 61 61 ASP CA C 61 56.900 56.900 57.316 -0.416 25449 872 1 2 . 1 1 61 61 ASP CB C 61 39.800 39.800 40.459 -0.659 25449 873 1 2 . 1 1 61 61 ASP H H 61 6.920 6.920 8.553 -1.633 25449 874 1 2 . 1 1 62 62 ALA N N 62 122.700 122.700 122.023 0.677 25449 875 1 2 . 1 1 62 62 ALA HA H 62 3.380 3.380 3.284 0.096 25449 876 1 2 . 1 1 62 62 ALA C C 62 171.600 171.600 179.165 -7.565 25449 877 1 2 . 1 1 62 62 ALA CA C 62 55.100 55.100 54.848 0.252 25449 878 1 2 . 1 1 62 62 ALA CB C 62 18.200 18.200 18.219 -0.019 25449 879 1 2 . 1 1 62 62 ALA H H 62 6.910 6.910 7.642 -0.732 25449 880 1 2 . 1 1 63 63 LYS N N 63 116.200 116.200 118.636 -2.436 25449 881 1 2 . 1 1 63 63 LYS HA H 63 4.190 4.190 3.869 0.321 25449 882 1 2 . 1 1 63 63 LYS C C 63 179.200 179.200 179.010 0.190 25449 883 1 2 . 1 1 63 63 LYS CA C 63 59.300 59.300 59.905 -0.605 25449 884 1 2 . 1 1 63 63 LYS CB C 63 32.600 32.600 32.147 0.453 25449 885 1 2 . 1 1 63 63 LYS H H 63 8.020 8.020 7.733 0.287 25449 886 1 2 . 1 1 64 64 HIS N N 64 117.400 117.400 117.226 0.174 25449 887 1 2 . 1 1 64 64 HIS HA H 64 4.310 4.310 4.350 -0.040 25449 888 1 2 . 1 1 64 64 HIS CA C 64 58.000 58.000 58.576 -0.576 25449 889 1 2 . 1 1 64 64 HIS CB C 64 29.100 29.100 29.800 -0.700 25449 890 1 2 . 1 1 64 64 HIS H H 64 7.460 7.460 7.464 -0.004 25449 891 1 2 . 1 1 65 65 ALA N N 65 123.700 123.700 121.829 1.871 25449 892 1 2 . 1 1 65 65 ALA HA H 65 2.170 2.170 3.957 -1.787 25449 893 1 2 . 1 1 65 65 ALA C C 65 178.700 178.700 179.614 -0.914 25449 894 1 2 . 1 1 65 65 ALA CA C 65 54.800 54.800 54.707 0.093 25449 895 1 2 . 1 1 65 65 ALA CB C 65 19.400 19.400 18.399 1.001 25449 896 1 2 . 1 1 65 65 ALA H H 65 8.190 8.190 7.650 0.540 25449 897 1 2 . 1 1 66 66 LEU N N 66 119.800 119.800 119.210 0.590 25449 898 1 2 . 1 1 66 66 LEU HA H 66 3.430 3.430 4.131 -0.702 25449 899 1 2 . 1 1 66 66 LEU C C 66 178.700 178.700 178.878 -0.178 25449 900 1 2 . 1 1 66 66 LEU CA C 66 59.700 59.700 57.617 2.083 25449 901 1 2 . 1 1 66 66 LEU CB C 66 41.100 41.100 41.720 -0.620 25449 902 1 2 . 1 1 66 66 LEU H H 66 8.340 8.340 7.625 0.715 25449 903 1 2 . 1 1 67 67 TYR N N 67 116.200 116.200 119.629 -3.429 25449 904 1 2 . 1 1 67 67 TYR HA H 67 4.010 4.010 4.154 -0.144 25449 905 1 2 . 1 1 67 67 TYR C C 67 177.700 177.700 176.729 0.971 25449 906 1 2 . 1 1 67 67 TYR CA C 67 60.500 60.500 61.641 -1.141 25449 907 1 2 . 1 1 67 67 TYR CB C 67 38.100 38.100 38.370 -0.270 25449 908 1 2 . 1 1 67 67 TYR H H 67 7.760 7.760 7.912 -0.152 25449 909 1 2 . 1 1 68 68 ASN N N 68 113.900 113.900 114.751 -0.851 25449 910 1 2 . 1 1 68 68 ASN HA H 68 4.430 4.430 4.688 -0.258 25449 911 1 2 . 1 1 68 68 ASN C C 68 176.400 176.400 175.681 0.719 25449 912 1 2 . 1 1 68 68 ASN CA C 68 55.600 55.600 54.194 1.405 25449 913 1 2 . 1 1 68 68 ASN CB C 68 41.400 41.400 38.487 2.913 25449 914 1 2 . 1 1 68 68 ASN H H 68 7.480 7.480 7.744 -0.264 25449 915 1 2 . 1 1 69 69 MET N N 69 114.900 114.900 116.652 -1.752 25449 916 1 2 . 1 1 69 69 MET HA H 69 4.760 4.760 4.588 0.172 25449 917 1 2 . 1 1 69 69 MET C C 69 177.000 177.000 177.490 -0.490 25449 918 1 2 . 1 1 69 69 MET CA C 69 53.500 53.500 54.037 -0.537 25449 919 1 2 . 1 1 69 69 MET CB C 69 31.100 31.100 32.428 -1.328 25449 920 1 2 . 1 1 69 69 MET H H 69 8.310 8.310 7.718 0.592 25449 921 1 2 . 1 1 70 70 ASN N N 70 117.700 117.700 119.136 -1.436 25449 922 1 2 . 1 1 70 70 ASN HA H 70 4.370 4.370 4.632 -0.262 25449 923 1 2 . 1 1 70 70 ASN C C 70 176.400 176.400 175.951 0.449 25449 924 1 2 . 1 1 70 70 ASN CA C 70 56.100 56.100 55.357 0.743 25449 925 1 2 . 1 1 70 70 ASN CB C 70 38.700 38.700 38.064 0.636 25449 926 1 2 . 1 1 70 70 ASN H H 70 7.660 7.660 8.107 -0.447 25449 927 1 2 . 1 1 71 71 ASN N N 71 121.500 121.500 115.988 5.512 25449 928 1 2 . 1 1 71 71 ASN HA H 71 4.510 4.510 4.689 -0.179 25449 929 1 2 . 1 1 71 71 ASN C C 71 173.300 173.300 174.113 -0.813 25449 930 1 2 . 1 1 71 71 ASN CA C 71 55.800 55.800 52.674 3.126 25449 931 1 2 . 1 1 71 71 ASN CB C 71 38.200 38.200 38.081 0.119 25449 932 1 2 . 1 1 71 71 ASN H H 71 8.600 8.600 8.413 0.187 25449 933 1 2 . 1 1 72 72 PHE N N 72 122.300 122.300 122.220 0.080 25449 934 1 2 . 1 1 72 72 PHE HA H 72 4.190 4.190 4.599 -0.409 25449 935 1 2 . 1 1 72 72 PHE C C 72 174.100 174.100 173.760 0.340 25449 936 1 2 . 1 1 72 72 PHE CA C 72 58.700 58.700 56.718 1.982 25449 937 1 2 . 1 1 72 72 PHE CB C 72 41.300 41.300 40.911 0.389 25449 938 1 2 . 1 1 72 72 PHE H H 72 7.870 7.870 7.472 0.398 25449 939 1 2 . 1 1 73 73 GLU N N 73 126.100 126.100 127.186 -1.086 25449 940 1 2 . 1 1 73 73 GLU HA H 73 4.230 4.230 4.316 -0.086 25449 941 1 2 . 1 1 73 73 GLU C C 73 173.000 173.000 174.022 -1.022 25449 942 1 2 . 1 1 73 73 GLU CA C 73 55.600 55.600 54.167 1.433 25449 943 1 2 . 1 1 73 73 GLU CB C 73 30.300 30.300 31.279 -0.979 25449 944 1 2 . 1 1 73 73 GLU H H 73 7.690 7.690 8.272 -0.582 25449 945 1 2 . 1 1 74 74 LEU N N 74 128.900 128.900 123.291 5.609 25449 946 1 2 . 1 1 74 74 LEU HA H 74 4.520 4.520 4.319 0.201 25449 947 1 2 . 1 1 74 74 LEU C C 74 175.500 175.500 175.765 -0.265 25449 948 1 2 . 1 1 74 74 LEU CA C 74 53.300 53.300 54.682 -1.382 25449 949 1 2 . 1 1 74 74 LEU CB C 74 44.600 44.600 43.721 0.879 25449 950 1 2 . 1 1 74 74 LEU H H 74 8.620 8.620 8.736 -0.116 25449 951 1 2 . 1 1 75 75 ASN N N 75 126.800 126.800 125.323 1.477 25449 952 1 2 . 1 1 75 75 ASN HA H 75 4.210 4.210 4.439 -0.229 25449 953 1 2 . 1 1 75 75 ASN C C 75 175.600 175.600 175.532 0.068 25449 954 1 2 . 1 1 75 75 ASN CA C 75 53.900 53.900 53.813 0.087 25449 955 1 2 . 1 1 75 75 ASN CB C 75 36.900 36.900 37.048 -0.148 25449 956 1 2 . 1 1 75 75 ASN H H 75 9.520 9.520 9.150 0.370 25449 957 1 2 . 1 1 76 76 GLY N N 76 102.300 102.300 101.783 0.517 25449 958 1 2 . 1 1 76 76 GLY C C 76 173.600 173.600 174.000 -0.400 25449 959 1 2 . 1 1 76 76 GLY CA C 76 45.300 45.300 45.404 -0.104 25449 960 1 2 . 1 1 76 76 GLY H H 76 8.500 8.500 8.538 -0.038 25449 961 1 2 . 1 1 77 77 LYS N N 77 120.800 120.800 118.915 1.885 25449 962 1 2 . 1 1 77 77 LYS HA H 77 4.570 4.570 4.510 0.060 25449 963 1 2 . 1 1 77 77 LYS C C 77 175.100 175.100 174.374 0.726 25449 964 1 2 . 1 1 77 77 LYS CA C 77 54.200 54.200 54.268 -0.068 25449 965 1 2 . 1 1 77 77 LYS CB C 77 34.500 34.500 35.040 -0.540 25449 966 1 2 . 1 1 77 77 LYS H H 77 7.580 7.580 7.350 0.230 25449 967 1 2 . 1 1 78 78 ARG N N 78 123.300 123.300 123.743 -0.443 25449 968 1 2 . 1 1 78 78 ARG HA H 78 4.480 4.480 4.382 0.098 25449 969 1 2 . 1 1 78 78 ARG C C 78 176.600 176.600 175.051 1.549 25449 970 1 2 . 1 1 78 78 ARG CA C 78 55.300 55.300 55.741 -0.441 25449 971 1 2 . 1 1 78 78 ARG CB C 78 30.300 30.300 31.292 -0.992 25449 972 1 2 . 1 1 78 78 ARG H H 78 8.580 8.580 8.452 0.128 25449 973 1 2 . 1 1 79 79 ILE N N 79 120.100 120.100 120.769 -0.669 25449 974 1 2 . 1 1 79 79 ILE HA H 79 4.700 4.700 4.550 0.150 25449 975 1 2 . 1 1 79 79 ILE C C 79 175.200 175.200 174.944 0.256 25449 976 1 2 . 1 1 79 79 ILE CA C 79 60.000 60.000 59.699 0.301 25449 977 1 2 . 1 1 79 79 ILE CB C 79 39.400 39.400 39.502 -0.102 25449 978 1 2 . 1 1 79 79 ILE H H 79 8.450 8.450 8.374 0.076 25449 979 1 2 . 1 1 80 80 HIS N N 80 119.900 119.900 125.602 -5.702 25449 980 1 2 . 1 1 80 80 HIS HA H 80 5.190 5.190 4.852 0.338 25449 981 1 2 . 1 1 80 80 HIS C C 80 173.600 173.600 174.582 -0.982 25449 982 1 2 . 1 1 80 80 HIS CA C 80 53.800 53.800 55.473 -1.673 25449 983 1 2 . 1 1 80 80 HIS CB C 80 31.300 31.300 30.925 0.375 25449 984 1 2 . 1 1 80 80 HIS H H 80 8.580 8.580 8.290 0.290 25449 985 1 2 . 1 1 81 81 VAL N N 81 123.800 123.800 126.236 -2.436 25449 986 1 2 . 1 1 81 81 VAL HA H 81 5.280 5.280 5.061 0.219 25449 987 1 2 . 1 1 81 81 VAL C C 81 173.600 173.600 174.986 -1.386 25449 988 1 2 . 1 1 81 81 VAL CA C 81 60.200 60.200 61.341 -1.141 25449 989 1 2 . 1 1 81 81 VAL CB C 81 35.000 35.000 33.074 1.926 25449 990 1 2 . 1 1 81 81 VAL H H 81 8.650 8.650 8.722 -0.072 25449 991 1 2 . 1 1 82 82 ASN N N 82 121.100 121.100 122.999 -1.899 25449 992 1 2 . 1 1 82 82 ASN HA H 82 4.750 4.750 5.183 -0.433 25449 993 1 2 . 1 1 82 82 ASN C C 82 174.000 174.000 173.258 0.742 25449 994 1 2 . 1 1 82 82 ASN CA C 82 51.900 51.900 52.454 -0.554 25449 995 1 2 . 1 1 82 82 ASN CB C 82 42.900 42.900 42.548 0.352 25449 996 1 2 . 1 1 82 82 ASN H H 82 8.890 8.890 8.354 0.536 25449 997 1 2 . 1 1 83 83 TYR N N 83 120.400 120.400 120.290 0.110 25449 998 1 2 . 1 1 83 83 TYR HA H 83 4.800 4.800 4.925 -0.125 25449 999 1 2 . 1 1 83 83 TYR C C 83 177.100 177.100 174.923 2.177 25449 1000 1 2 . 1 1 83 83 TYR CA C 83 59.400 59.400 57.403 1.997 25449 1001 1 2 . 1 1 83 83 TYR CB C 83 38.700 38.700 40.070 -1.370 25449 1002 1 2 . 1 1 83 83 TYR H H 83 8.480 8.480 8.789 -0.309 25449 1003 1 2 . 1 1 84 84 SER N N 84 118.000 118.000 117.251 0.749 25449 1004 1 2 . 1 1 84 84 SER HA H 84 4.520 4.520 4.444 0.076 25449 1005 1 2 . 1 1 84 84 SER C C 84 174.100 174.100 171.865 2.235 25449 1006 1 2 . 1 1 84 84 SER CA C 84 57.700 57.700 56.701 0.999 25449 1007 1 2 . 1 1 84 84 SER CB C 84 64.300 64.300 65.977 -1.677 25449 1008 1 2 . 1 1 84 84 SER H H 84 9.040 9.040 7.546 1.494 25449 1009 1 2 . 1 1 85 85 LYS N N 85 125.300 125.300 120.484 4.816 25449 1010 1 2 . 1 1 85 85 LYS HA H 85 4.440 4.440 4.285 0.154 25449 1011 1 2 . 1 1 85 85 LYS C C 85 175.600 175.600 175.535 0.065 25449 1012 1 2 . 1 1 85 85 LYS CA C 85 56.300 56.300 55.265 1.035 25449 1013 1 2 . 1 1 85 85 LYS CB C 85 33.700 33.700 33.407 0.293 25449 1014 1 2 . 1 1 85 85 LYS H H 85 8.410 8.410 8.150 0.260 25449 1015 1 3 . 1 1 -1 -1 SER N N -1 115.600 115.600 116.083 -0.483 25449 1016 1 3 . 1 1 -1 -1 SER HA H -1 4.410 4.410 4.621 -0.211 25449 1017 1 3 . 1 1 -1 -1 SER C C -1 172.000 172.000 173.674 -1.674 25449 1018 1 3 . 1 1 -1 -1 SER CA C -1 58.200 58.200 57.503 0.697 25449 1019 1 3 . 1 1 -1 -1 SER CB C -1 63.900 63.900 66.106 -2.206 25449 1020 1 3 . 1 1 -1 -1 SER H H -1 8.670 8.670 8.107 0.563 25449 1021 1 3 . 1 1 0 0 HIS N N 0 121.200 121.200 120.934 0.266 25449 1022 1 3 . 1 1 0 0 HIS HA H 0 4.590 4.590 4.636 -0.046 25449 1023 1 3 . 1 1 0 0 HIS C C 0 174.800 174.800 174.130 0.670 25449 1024 1 3 . 1 1 0 0 HIS CA C 0 56.100 56.100 56.370 -0.271 25449 1025 1 3 . 1 1 0 0 HIS CB C 0 29.900 29.900 29.661 0.239 25449 1026 1 3 . 1 1 0 0 HIS H H 0 8.730 8.730 8.659 0.071 25449 1027 1 3 . 1 1 1 1 MET N N 1 121.800 121.800 124.853 -3.053 25449 1028 1 3 . 1 1 1 1 MET HA H 1 4.370 4.370 4.768 -0.398 25449 1029 1 3 . 1 1 1 1 MET C C 1 176.300 176.300 175.068 1.232 25449 1030 1 3 . 1 1 1 1 MET CA C 1 55.700 55.700 54.699 1.001 25449 1031 1 3 . 1 1 1 1 MET CB C 1 32.800 32.800 33.284 -0.484 25449 1032 1 3 . 1 1 1 1 MET H H 1 8.450 8.450 8.146 0.304 25449 1033 1 3 . 1 1 2 2 SER N N 2 116.700 116.700 119.501 -2.801 25449 1034 1 3 . 1 1 2 2 SER HA H 2 4.370 4.370 4.852 -0.482 25449 1035 1 3 . 1 1 2 2 SER C C 2 174.200 174.200 173.122 1.078 25449 1036 1 3 . 1 1 2 2 SER CA C 2 58.400 58.400 56.808 1.592 25449 1037 1 3 . 1 1 2 2 SER CB C 2 63.800 63.800 64.831 -1.031 25449 1038 1 3 . 1 1 2 2 SER H H 2 8.410 8.410 8.761 -0.351 25449 1039 1 3 . 1 1 3 3 ASP N N 3 122.100 122.100 124.212 -2.112 25449 1040 1 3 . 1 1 3 3 ASP HA H 3 4.550 4.550 4.916 -0.366 25449 1041 1 3 . 1 1 3 3 ASP C C 3 176.100 176.100 175.471 0.629 25449 1042 1 3 . 1 1 3 3 ASP CA C 3 54.500 54.500 53.502 0.998 25449 1043 1 3 . 1 1 3 3 ASP CB C 3 41.200 41.200 39.581 1.619 25449 1044 1 3 . 1 1 3 3 ASP H H 3 8.340 8.340 8.617 -0.277 25449 1045 1 3 . 1 1 4 4 ASN N N 4 119.100 119.100 121.504 -2.404 25449 1046 1 3 . 1 1 4 4 ASN HA H 4 4.580 4.580 4.888 -0.308 25449 1047 1 3 . 1 1 4 4 ASN C C 4 174.900 174.900 174.662 0.238 25449 1048 1 3 . 1 1 4 4 ASN CA C 4 53.700 53.700 52.478 1.222 25449 1049 1 3 . 1 1 4 4 ASN CB C 4 38.900 38.900 40.551 -1.651 25449 1050 1 3 . 1 1 4 4 ASN H H 4 8.420 8.420 7.903 0.517 25449 1051 1 3 . 1 1 5 5 ASN N N 5 118.400 118.400 118.848 -0.448 25449 1052 1 3 . 1 1 5 5 ASN HA H 5 4.540 4.540 4.694 -0.154 25449 1053 1 3 . 1 1 5 5 ASN C C 5 173.900 173.900 174.589 -0.689 25449 1054 1 3 . 1 1 5 5 ASN CA C 5 53.200 53.200 52.930 0.270 25449 1055 1 3 . 1 1 5 5 ASN CB C 5 38.700 38.700 38.234 0.466 25449 1056 1 3 . 1 1 5 5 ASN H H 5 8.340 8.340 8.481 -0.141 25449 1057 1 3 . 1 1 6 6 ALA N N 6 122.100 122.100 122.977 -0.877 25449 1058 1 3 . 1 1 6 6 ALA HA H 6 2.740 2.740 3.818 -1.078 25449 1059 1 3 . 1 1 6 6 ALA C C 6 177.000 177.000 176.770 0.230 25449 1060 1 3 . 1 1 6 6 ALA CA C 6 52.300 52.300 52.684 -0.384 25449 1061 1 3 . 1 1 6 6 ALA CB C 6 20.000 20.000 18.120 1.880 25449 1062 1 3 . 1 1 6 6 ALA H H 6 7.590 7.590 7.708 -0.118 25449 1063 1 3 . 1 1 7 7 THR N N 7 112.700 112.700 118.756 -6.056 25449 1064 1 3 . 1 1 7 7 THR HA H 7 4.390 4.390 4.501 -0.111 25449 1065 1 3 . 1 1 7 7 THR C C 7 171.700 171.700 174.715 -3.015 25449 1066 1 3 . 1 1 7 7 THR CA C 7 59.800 59.800 61.117 -1.317 25449 1067 1 3 . 1 1 7 7 THR CB C 7 70.600 70.600 70.995 -0.395 25449 1068 1 3 . 1 1 7 7 THR H H 7 6.840 6.840 7.539 -0.699 25449 1069 1 3 . 1 1 8 8 ASP N N 8 114.600 114.600 122.714 -8.114 25449 1070 1 3 . 1 1 8 8 ASP HA H 8 4.490 4.490 4.314 0.176 25449 1071 1 3 . 1 1 8 8 ASP C C 8 174.300 174.300 174.540 -0.240 25449 1072 1 3 . 1 1 8 8 ASP CA C 8 53.500 53.500 55.726 -2.226 25449 1073 1 3 . 1 1 8 8 ASP CB C 8 39.800 39.800 40.216 -0.416 25449 1074 1 3 . 1 1 8 8 ASP H H 8 8.170 8.170 8.705 -0.535 25449 1075 1 3 . 1 1 9 9 ILE N N 9 117.800 117.800 118.818 -1.018 25449 1076 1 3 . 1 1 9 9 ILE HA H 9 4.810 4.810 5.076 -0.266 25449 1077 1 3 . 1 1 9 9 ILE C C 9 174.700 174.700 174.405 0.295 25449 1078 1 3 . 1 1 9 9 ILE CA C 9 60.600 60.600 60.291 0.309 25449 1079 1 3 . 1 1 9 9 ILE CB C 9 40.300 40.300 40.546 -0.246 25449 1080 1 3 . 1 1 9 9 ILE H H 9 7.890 7.890 7.429 0.461 25449 1081 1 3 . 1 1 10 10 LEU N N 10 125.300 125.300 127.424 -2.124 25449 1082 1 3 . 1 1 10 10 LEU HA H 10 4.960 4.960 4.781 0.179 25449 1083 1 3 . 1 1 10 10 LEU C C 10 176.100 176.100 175.188 0.912 25449 1084 1 3 . 1 1 10 10 LEU CA C 10 52.900 52.900 54.230 -1.329 25449 1085 1 3 . 1 1 10 10 LEU CB C 10 43.100 43.100 44.739 -1.639 25449 1086 1 3 . 1 1 10 10 LEU H H 10 9.370 9.370 8.293 1.077 25449 1087 1 3 . 1 1 11 11 PHE N N 11 124.300 124.300 127.592 -3.292 25449 1088 1 3 . 1 1 11 11 PHE HA H 11 4.670 4.670 4.708 -0.038 25449 1089 1 3 . 1 1 11 11 PHE C C 11 173.400 173.400 173.762 -0.362 25449 1090 1 3 . 1 1 11 11 PHE CA C 11 57.000 57.000 57.047 -0.048 25449 1091 1 3 . 1 1 11 11 PHE CB C 11 40.700 40.700 39.882 0.818 25449 1092 1 3 . 1 1 11 11 PHE H H 11 9.310 9.310 8.597 0.713 25449 1093 1 3 . 1 1 12 12 VAL N N 12 128.300 128.300 126.903 1.397 25449 1094 1 3 . 1 1 12 12 VAL HA H 12 4.420 4.420 4.637 -0.217 25449 1095 1 3 . 1 1 12 12 VAL C C 12 173.900 173.900 175.140 -1.240 25449 1096 1 3 . 1 1 12 12 VAL CA C 12 60.200 60.200 59.754 0.446 25449 1097 1 3 . 1 1 12 12 VAL CB C 12 33.100 33.100 31.408 1.692 25449 1098 1 3 . 1 1 12 12 VAL H H 12 8.380 8.380 7.723 0.657 25449 1099 1 3 . 1 1 13 13 GLY N N 13 111.800 111.800 111.304 0.496 25449 1100 1 3 . 1 1 13 13 GLY C C 13 173.800 173.800 173.880 -0.080 25449 1101 1 3 . 1 1 13 13 GLY CA C 13 43.400 43.400 43.067 0.333 25449 1102 1 3 . 1 1 13 13 GLY H H 13 9.150 9.150 7.417 1.733 25449 1103 1 3 . 1 1 14 14 GLY N N 14 107.600 107.600 108.135 -0.535 25449 1104 1 3 . 1 1 14 14 GLY C C 14 175.400 175.400 173.379 2.021 25449 1105 1 3 . 1 1 14 14 GLY CA C 14 45.800 45.800 45.095 0.705 25449 1106 1 3 . 1 1 14 14 GLY H H 14 8.260 8.260 8.102 0.158 25449 1107 1 3 . 1 1 15 15 ILE N N 15 111.100 111.100 116.618 -5.518 25449 1108 1 3 . 1 1 15 15 ILE HA H 15 4.040 4.040 4.313 -0.273 25449 1109 1 3 . 1 1 15 15 ILE C C 15 175.500 175.500 174.585 0.915 25449 1110 1 3 . 1 1 15 15 ILE CA C 15 60.500 60.500 58.831 1.669 25449 1111 1 3 . 1 1 15 15 ILE CB C 15 38.500 38.500 39.793 -1.293 25449 1112 1 3 . 1 1 15 15 ILE H H 15 6.930 6.930 7.439 -0.509 25449 1113 1 3 . 1 1 16 16 ASP N N 16 122.800 122.800 122.331 0.469 25449 1114 1 3 . 1 1 16 16 ASP HA H 16 4.580 4.580 4.569 0.011 25449 1115 1 3 . 1 1 16 16 ASP C C 16 177.200 177.200 176.929 0.271 25449 1116 1 3 . 1 1 16 16 ASP CA C 16 53.700 53.700 53.575 0.124 25449 1117 1 3 . 1 1 16 16 ASP CB C 16 42.500 42.500 42.811 -0.311 25449 1118 1 3 . 1 1 16 16 ASP H H 16 8.320 8.320 8.570 -0.250 25449 1119 1 3 . 1 1 17 17 GLU N N 17 119.600 119.600 120.031 -0.431 25449 1120 1 3 . 1 1 17 17 GLU HA H 17 4.140 4.140 4.203 -0.063 25449 1121 1 3 . 1 1 17 17 GLU C C 17 176.800 176.800 176.105 0.695 25449 1122 1 3 . 1 1 17 17 GLU CA C 17 58.600 58.600 57.093 1.507 25449 1123 1 3 . 1 1 17 17 GLU CB C 17 29.800 29.800 28.937 0.863 25449 1124 1 3 . 1 1 17 17 GLU H H 17 8.830 8.830 8.746 0.084 25449 1125 1 3 . 1 1 18 18 THR N N 18 111.300 111.300 114.528 -3.228 25449 1126 1 3 . 1 1 18 18 THR HA H 18 4.250 4.250 4.480 -0.230 25449 1127 1 3 . 1 1 18 18 THR C C 18 175.200 175.200 174.790 0.410 25449 1128 1 3 . 1 1 18 18 THR CA C 18 62.600 62.600 61.724 0.876 25449 1129 1 3 . 1 1 18 18 THR CB C 18 69.600 69.600 69.793 -0.193 25449 1130 1 3 . 1 1 18 18 THR H H 18 8.740 8.740 7.727 1.013 25449 1131 1 3 . 1 1 19 19 ILE N N 19 123.300 123.300 119.961 3.339 25449 1132 1 3 . 1 1 19 19 ILE HA H 19 3.880 3.880 4.338 -0.458 25449 1133 1 3 . 1 1 19 19 ILE C C 19 174.300 174.300 174.229 0.071 25449 1134 1 3 . 1 1 19 19 ILE CA C 19 59.900 59.900 58.806 1.094 25449 1135 1 3 . 1 1 19 19 ILE CB C 19 35.600 35.600 38.416 -2.816 25449 1136 1 3 . 1 1 19 19 ILE H H 19 7.220 7.220 7.436 -0.216 25449 1137 1 3 . 1 1 20 20 ASP N N 20 125.600 125.600 123.674 1.926 25449 1138 1 3 . 1 1 20 20 ASP HA H 20 4.640 4.640 4.832 -0.192 25449 1139 1 3 . 1 1 20 20 ASP C C 20 175.300 175.300 177.308 -2.008 25449 1140 1 3 . 1 1 20 20 ASP CA C 20 51.500 51.500 52.702 -1.202 25449 1141 1 3 . 1 1 20 20 ASP CB C 20 43.000 43.000 43.665 -0.665 25449 1142 1 3 . 1 1 20 20 ASP H H 20 7.790 7.790 8.529 -0.739 25449 1143 1 3 . 1 1 21 21 GLU N N 21 118.400 118.400 119.382 -0.982 25449 1144 1 3 . 1 1 21 21 GLU HA H 21 3.630 3.630 4.023 -0.393 25449 1145 1 3 . 1 1 21 21 GLU C C 21 177.900 177.900 178.076 -0.176 25449 1146 1 3 . 1 1 21 21 GLU CA C 21 60.900 60.900 60.396 0.504 25449 1147 1 3 . 1 1 21 21 GLU CB C 21 29.200 29.200 29.430 -0.230 25449 1148 1 3 . 1 1 21 21 GLU H H 21 9.220 9.220 8.497 0.723 25449 1149 1 3 . 1 1 22 22 LYS N N 22 119.700 119.700 117.751 1.949 25449 1150 1 3 . 1 1 22 22 LYS HA H 22 4.060 4.060 4.268 -0.208 25449 1151 1 3 . 1 1 22 22 LYS C C 22 178.500 178.500 178.428 0.072 25449 1152 1 3 . 1 1 22 22 LYS CA C 22 59.300 59.300 58.879 0.421 25449 1153 1 3 . 1 1 22 22 LYS CB C 22 31.800 31.800 31.598 0.202 25449 1154 1 3 . 1 1 22 22 LYS H H 22 8.040 8.040 8.396 -0.356 25449 1155 1 3 . 1 1 23 23 SER N N 23 114.900 114.900 117.098 -2.198 25449 1156 1 3 . 1 1 23 23 SER HA H 23 4.300 4.300 4.321 -0.021 25449 1157 1 3 . 1 1 23 23 SER C C 23 177.600 177.600 176.404 1.196 25449 1158 1 3 . 1 1 23 23 SER CA C 23 61.800 61.800 61.311 0.489 25449 1159 1 3 . 1 1 23 23 SER CB C 23 62.900 62.900 62.403 0.497 25449 1160 1 3 . 1 1 23 23 SER H H 23 8.240 8.240 8.261 -0.021 25449 1161 1 3 . 1 1 24 24 LEU N N 24 118.800 118.800 121.255 -2.455 25449 1162 1 3 . 1 1 24 24 LEU HA H 24 4.180 4.180 4.348 -0.168 25449 1163 1 3 . 1 1 24 24 LEU C C 24 178.700 178.700 178.828 -0.128 25449 1164 1 3 . 1 1 24 24 LEU CA C 24 57.300 57.300 56.515 0.785 25449 1165 1 3 . 1 1 24 24 LEU CB C 24 42.100 42.100 41.589 0.511 25449 1166 1 3 . 1 1 24 24 LEU H H 24 7.750 7.750 7.431 0.319 25449 1167 1 3 . 1 1 25 25 TYR N N 25 123.200 123.200 121.068 2.132 25449 1168 1 3 . 1 1 25 25 TYR HA H 25 3.630 3.630 4.105 -0.475 25449 1169 1 3 . 1 1 25 25 TYR C C 25 178.600 178.600 177.057 1.543 25449 1170 1 3 . 1 1 25 25 TYR CA C 25 63.200 63.200 61.262 1.938 25449 1171 1 3 . 1 1 25 25 TYR CB C 25 38.200 38.200 38.696 -0.496 25449 1172 1 3 . 1 1 25 25 TYR H H 25 8.970 8.970 7.498 1.472 25449 1173 1 3 . 1 1 26 26 ASP N N 26 119.800 119.800 119.198 0.602 25449 1174 1 3 . 1 1 26 26 ASP HA H 26 4.270 4.270 4.565 -0.295 25449 1175 1 3 . 1 1 26 26 ASP C C 26 177.900 177.900 179.154 -1.254 25449 1176 1 3 . 1 1 26 26 ASP CA C 26 57.700 57.700 57.755 -0.055 25449 1177 1 3 . 1 1 26 26 ASP CB C 26 40.000 40.000 41.351 -1.351 25449 1178 1 3 . 1 1 26 26 ASP H H 26 8.510 8.510 7.853 0.657 25449 1179 1 3 . 1 1 27 27 ILE N N 27 114.700 114.700 119.734 -5.034 25449 1180 1 3 . 1 1 27 27 ILE HA H 27 3.960 3.960 3.849 0.111 25449 1181 1 3 . 1 1 27 27 ILE C C 27 177.700 177.700 177.668 0.032 25449 1182 1 3 . 1 1 27 27 ILE CA C 27 63.300 63.300 64.917 -1.617 25449 1183 1 3 . 1 1 27 27 ILE CB C 27 39.000 39.000 38.245 0.755 25449 1184 1 3 . 1 1 27 27 ILE H H 27 7.320 7.320 7.871 -0.551 25449 1185 1 3 . 1 1 28 28 PHE N N 28 116.900 116.900 115.961 0.939 25449 1186 1 3 . 1 1 28 28 PHE HA H 28 4.370 4.370 4.594 -0.224 25449 1187 1 3 . 1 1 28 28 PHE C C 28 179.900 179.900 176.367 3.533 25449 1188 1 3 . 1 1 28 28 PHE CA C 28 62.300 62.300 58.746 3.554 25449 1189 1 3 . 1 1 28 28 PHE CB C 28 37.300 37.300 39.136 -1.837 25449 1190 1 3 . 1 1 28 28 PHE H H 28 8.650 8.650 8.236 0.414 25449 1191 1 3 . 1 1 29 29 SER N N 29 120.100 120.100 113.062 7.038 25449 1192 1 3 . 1 1 29 29 SER HA H 29 4.410 4.410 4.627 -0.217 25449 1193 1 3 . 1 1 29 29 SER C C 29 175.600 175.600 175.540 0.060 25449 1194 1 3 . 1 1 29 29 SER CA C 29 61.300 61.300 59.218 2.082 25449 1195 1 3 . 1 1 29 29 SER CB C 29 62.200 62.200 62.767 -0.567 25449 1196 1 3 . 1 1 29 29 SER H H 29 8.880 8.880 7.530 1.350 25449 1197 1 3 . 1 1 30 30 SER N N 30 116.200 116.200 117.724 -1.524 25449 1198 1 3 . 1 1 30 30 SER HA H 30 3.940 3.940 4.207 -0.267 25449 1199 1 3 . 1 1 30 30 SER C C 30 174.900 174.900 175.426 -0.526 25449 1200 1 3 . 1 1 30 30 SER CA C 30 60.400 60.400 60.798 -0.398 25449 1201 1 3 . 1 1 30 30 SER CB C 30 62.400 62.400 63.017 -0.618 25449 1202 1 3 . 1 1 30 30 SER H H 30 7.270 7.270 7.878 -0.608 25449 1203 1 3 . 1 1 31 31 PHE N N 31 115.600 115.600 121.384 -5.784 25449 1204 1 3 . 1 1 31 31 PHE HA H 31 4.280 4.280 4.558 -0.278 25449 1205 1 3 . 1 1 31 31 PHE C C 31 174.100 174.100 176.185 -2.085 25449 1206 1 3 . 1 1 31 31 PHE CA C 31 58.900 58.900 59.211 -0.311 25449 1207 1 3 . 1 1 31 31 PHE CB C 31 39.300 39.300 40.425 -1.125 25449 1208 1 3 . 1 1 31 31 PHE H H 31 6.980 6.980 7.770 -0.790 25449 1209 1 3 . 1 1 32 32 GLY N N 32 104.900 104.900 107.719 -2.819 25449 1210 1 3 . 1 1 32 32 GLY C C 32 171.600 171.600 172.790 -1.190 25449 1211 1 3 . 1 1 32 32 GLY CA C 32 44.300 44.300 44.387 -0.087 25449 1212 1 3 . 1 1 32 32 GLY H H 32 7.300 7.300 7.542 -0.242 25449 1213 1 3 . 1 1 33 33 ASP N N 33 116.100 116.100 126.835 -10.735 25449 1214 1 3 . 1 1 33 33 ASP HA H 33 4.510 4.510 4.436 0.074 25449 1215 1 3 . 1 1 33 33 ASP C C 33 176.800 176.800 174.815 1.985 25449 1216 1 3 . 1 1 33 33 ASP CA C 33 55.400 55.400 55.776 -0.376 25449 1217 1 3 . 1 1 33 33 ASP CB C 33 40.600 40.600 42.147 -1.547 25449 1218 1 3 . 1 1 33 33 ASP H H 33 8.120 8.120 8.494 -0.374 25449 1219 1 3 . 1 1 34 34 ILE N N 34 126.400 126.400 119.486 6.914 25449 1220 1 3 . 1 1 34 34 ILE HA H 34 3.850 3.850 4.081 -0.231 25449 1221 1 3 . 1 1 34 34 ILE C C 34 176.200 176.200 176.022 0.178 25449 1222 1 3 . 1 1 34 34 ILE CA C 34 60.200 60.200 58.431 1.769 25449 1223 1 3 . 1 1 34 34 ILE CB C 34 39.900 39.900 39.008 0.892 25449 1224 1 3 . 1 1 34 34 ILE H H 34 8.670 8.670 7.907 0.763 25449 1225 1 3 . 1 1 35 35 ARG N N 35 128.900 128.900 128.387 0.513 25449 1226 1 3 . 1 1 35 35 ARG HA H 35 4.160 4.160 4.134 0.026 25449 1227 1 3 . 1 1 35 35 ARG C C 35 175.600 175.600 176.277 -0.677 25449 1228 1 3 . 1 1 35 35 ARG CA C 35 57.500 57.500 58.225 -0.725 25449 1229 1 3 . 1 1 35 35 ARG CB C 35 31.700 31.700 30.946 0.754 25449 1230 1 3 . 1 1 35 35 ARG H H 35 9.320 9.320 8.656 0.664 25449 1231 1 3 . 1 1 36 36 ASN N N 36 114.300 114.300 114.271 0.029 25449 1232 1 3 . 1 1 36 36 ASN HA H 36 4.710 4.710 4.832 -0.122 25449 1233 1 3 . 1 1 36 36 ASN C C 36 172.000 172.000 172.798 -0.798 25449 1234 1 3 . 1 1 36 36 ASN CA C 36 53.500 53.500 53.088 0.412 25449 1235 1 3 . 1 1 36 36 ASN CB C 36 42.600 42.600 40.809 1.792 25449 1236 1 3 . 1 1 36 36 ASN H H 36 7.620 7.620 8.123 -0.503 25449 1237 1 3 . 1 1 37 37 ILE N N 37 122.700 122.700 122.229 0.471 25449 1238 1 3 . 1 1 37 37 ILE HA H 37 4.770 4.770 4.384 0.386 25449 1239 1 3 . 1 1 37 37 ILE C C 37 173.300 173.300 174.431 -1.131 25449 1240 1 3 . 1 1 37 37 ILE CA C 37 60.600 60.600 61.335 -0.735 25449 1241 1 3 . 1 1 37 37 ILE CB C 37 41.200 41.200 41.220 -0.020 25449 1242 1 3 . 1 1 37 37 ILE H H 37 8.030 8.030 8.517 -0.487 25449 1243 1 3 . 1 1 38 38 GLU N N 38 126.700 126.700 129.629 -2.929 25449 1244 1 3 . 1 1 38 38 GLU HA H 38 4.660 4.660 4.707 -0.047 25449 1245 1 3 . 1 1 38 38 GLU C C 38 174.800 174.800 173.898 0.902 25449 1246 1 3 . 1 1 38 38 GLU CA C 38 54.400 54.400 55.597 -1.197 25449 1247 1 3 . 1 1 38 38 GLU CB C 38 33.400 33.400 32.116 1.284 25449 1248 1 3 . 1 1 38 38 GLU H H 38 8.870 8.870 8.557 0.313 25449 1249 1 3 . 1 1 39 39 VAL N N 39 126.400 126.400 125.844 0.556 25449 1250 1 3 . 1 1 39 39 VAL CA C 39 58.700 58.700 58.161 0.539 25449 1251 1 3 . 1 1 39 39 VAL CB C 39 32.600 32.600 33.387 -0.787 25449 1252 1 3 . 1 1 39 39 VAL H H 39 8.970 8.970 8.434 0.536 25449 1253 1 3 . 1 1 40 40 PRO HA H 40 4.230 4.230 4.419 -0.189 25449 1254 1 3 . 1 1 40 40 PRO C C 40 176.300 176.300 174.883 1.417 25449 1255 1 3 . 1 1 40 40 PRO CA C 40 63.300 63.300 62.623 0.677 25449 1256 1 3 . 1 1 40 40 PRO CB C 40 32.500 32.500 32.358 0.142 25449 1257 1 3 . 1 1 41 41 LEU N N 41 120.700 120.700 122.136 -1.436 25449 1258 1 3 . 1 1 41 41 LEU HA H 41 4.520 4.520 4.569 -0.049 25449 1259 1 3 . 1 1 41 41 LEU C C 41 177.900 177.900 175.657 2.243 25449 1260 1 3 . 1 1 41 41 LEU CA C 41 53.100 53.100 52.944 0.156 25449 1261 1 3 . 1 1 41 41 LEU CB C 41 44.300 44.300 45.850 -1.550 25449 1262 1 3 . 1 1 41 41 LEU H H 41 8.520 8.520 8.136 0.384 25449 1263 1 3 . 1 1 42 42 ASN N N 42 121.400 121.400 121.780 -0.380 25449 1264 1 3 . 1 1 42 42 ASN HA H 42 4.560 4.560 4.864 -0.304 25449 1265 1 3 . 1 1 42 42 ASN C C 42 176.700 176.700 176.223 0.477 25449 1266 1 3 . 1 1 42 42 ASN CA C 42 52.900 52.900 52.434 0.466 25449 1267 1 3 . 1 1 42 42 ASN CB C 42 39.000 39.000 40.153 -1.153 25449 1268 1 3 . 1 1 42 42 ASN H H 42 8.740 8.740 8.197 0.543 25449 1269 1 3 . 1 1 43 43 MET N N 43 125.500 125.500 124.074 1.426 25449 1270 1 3 . 1 1 43 43 MET HA H 43 4.210 4.210 4.383 -0.173 25449 1271 1 3 . 1 1 43 43 MET C C 43 177.200 177.200 176.999 0.201 25449 1272 1 3 . 1 1 43 43 MET CA C 43 57.100 57.100 57.494 -0.394 25449 1273 1 3 . 1 1 43 43 MET CB C 43 31.600 31.600 32.350 -0.750 25449 1274 1 3 . 1 1 43 43 MET H H 43 9.080 9.080 8.896 0.184 25449 1275 1 3 . 1 1 44 44 THR N N 44 114.400 114.400 114.433 -0.033 25449 1276 1 3 . 1 1 44 44 THR HA H 44 4.160 4.160 4.349 -0.189 25449 1277 1 3 . 1 1 44 44 THR C C 44 175.900 175.900 175.944 -0.044 25449 1278 1 3 . 1 1 44 44 THR CA C 44 65.200 65.200 65.099 0.101 25449 1279 1 3 . 1 1 44 44 THR CB C 44 68.700 68.700 69.291 -0.591 25449 1280 1 3 . 1 1 44 44 THR H H 44 8.590 8.590 8.060 0.530 25449 1281 1 3 . 1 1 45 45 THR N N 45 110.300 110.300 113.623 -3.323 25449 1282 1 3 . 1 1 45 45 THR HA H 45 4.160 4.160 4.397 -0.237 25449 1283 1 3 . 1 1 45 45 THR C C 45 175.500 175.500 173.809 1.691 25449 1284 1 3 . 1 1 45 45 THR CA C 45 62.000 62.000 61.416 0.584 25449 1285 1 3 . 1 1 45 45 THR CB C 45 70.000 70.000 69.579 0.421 25449 1286 1 3 . 1 1 45 45 THR H H 45 7.610 7.610 7.495 0.115 25449 1287 1 3 . 1 1 46 46 LYS N N 46 115.700 115.700 121.078 -5.378 25449 1288 1 3 . 1 1 46 46 LYS HA H 46 3.720 3.720 3.950 -0.230 25449 1289 1 3 . 1 1 46 46 LYS C C 46 174.600 174.600 174.005 0.595 25449 1290 1 3 . 1 1 46 46 LYS CA C 46 57.600 57.600 57.252 0.347 25449 1291 1 3 . 1 1 46 46 LYS CB C 46 28.900 28.900 30.216 -1.316 25449 1292 1 3 . 1 1 46 46 LYS H H 46 8.460 8.460 8.084 0.376 25449 1293 1 3 . 1 1 47 47 LYS N N 47 117.100 117.100 118.233 -1.133 25449 1294 1 3 . 1 1 47 47 LYS HA H 47 4.680 4.680 4.530 0.150 25449 1295 1 3 . 1 1 47 47 LYS C C 47 176.300 176.300 176.767 -0.467 25449 1296 1 3 . 1 1 47 47 LYS CA C 47 54.000 54.000 53.926 0.074 25449 1297 1 3 . 1 1 47 47 LYS CB C 47 35.100 35.100 34.144 0.956 25449 1298 1 3 . 1 1 47 47 LYS H H 47 7.610 7.610 7.582 0.028 25449 1299 1 3 . 1 1 48 48 ASN N N 48 117.700 117.700 119.523 -1.823 25449 1300 1 3 . 1 1 48 48 ASN HA H 48 4.700 4.700 4.697 0.003 25449 1301 1 3 . 1 1 48 48 ASN C C 48 174.000 174.000 175.582 -1.582 25449 1302 1 3 . 1 1 48 48 ASN CA C 48 53.600 53.600 52.992 0.608 25449 1303 1 3 . 1 1 48 48 ASN CB C 48 37.700 37.700 38.984 -1.284 25449 1304 1 3 . 1 1 48 48 ASN H H 48 8.740 8.740 8.675 0.065 25449 1305 1 3 . 1 1 49 49 ARG N N 49 116.800 116.800 116.354 0.446 25449 1306 1 3 . 1 1 49 49 ARG HA H 49 4.350 4.350 3.974 0.376 25449 1307 1 3 . 1 1 49 49 ARG C C 49 177.500 177.500 176.430 1.070 25449 1308 1 3 . 1 1 49 49 ARG CA C 49 55.600 55.600 56.485 -0.885 25449 1309 1 3 . 1 1 49 49 ARG CB C 49 31.600 31.600 27.063 4.537 25449 1310 1 3 . 1 1 49 49 ARG H H 49 8.530 8.530 8.432 0.098 25449 1311 1 3 . 1 1 50 50 GLY N N 50 108.300 108.300 106.516 1.784 25449 1312 1 3 . 1 1 50 50 GLY C C 50 173.500 173.500 173.456 0.044 25449 1313 1 3 . 1 1 50 50 GLY CA C 50 45.800 45.800 45.276 0.524 25449 1314 1 3 . 1 1 50 50 GLY H H 50 8.900 8.900 8.773 0.127 25449 1315 1 3 . 1 1 51 51 PHE N N 51 113.900 113.900 116.797 -2.897 25449 1316 1 3 . 1 1 51 51 PHE HA H 51 5.470 5.470 4.786 0.684 25449 1317 1 3 . 1 1 51 51 PHE C C 51 172.000 172.000 172.127 -0.127 25449 1318 1 3 . 1 1 51 51 PHE CA C 51 55.000 55.000 56.005 -1.005 25449 1319 1 3 . 1 1 51 51 PHE CB C 51 42.700 42.700 40.380 2.320 25449 1320 1 3 . 1 1 51 51 PHE H H 51 6.910 6.910 7.300 -0.390 25449 1321 1 3 . 1 1 52 52 ALA N N 52 120.500 120.500 124.708 -4.208 25449 1322 1 3 . 1 1 52 52 ALA HA H 52 4.630 4.630 4.103 0.527 25449 1323 1 3 . 1 1 52 52 ALA C C 52 173.900 173.900 174.687 -0.787 25449 1324 1 3 . 1 1 52 52 ALA CA C 52 50.200 50.200 50.680 -0.480 25449 1325 1 3 . 1 1 52 52 ALA CB C 52 25.100 25.100 21.868 3.232 25449 1326 1 3 . 1 1 52 52 ALA H H 52 8.810 8.810 7.620 1.190 25449 1327 1 3 . 1 1 53 53 PHE N N 53 115.000 115.000 119.455 -4.455 25449 1328 1 3 . 1 1 53 53 PHE HA H 53 5.660 5.660 4.797 0.863 25449 1329 1 3 . 1 1 53 53 PHE C C 53 175.600 175.600 174.674 0.926 25449 1330 1 3 . 1 1 53 53 PHE CA C 53 56.200 56.200 56.017 0.183 25449 1331 1 3 . 1 1 53 53 PHE CB C 53 42.400 42.400 41.732 0.668 25449 1332 1 3 . 1 1 53 53 PHE H H 53 8.730 8.730 7.950 0.780 25449 1333 1 3 . 1 1 54 54 VAL N N 54 122.300 122.300 121.385 0.915 25449 1334 1 3 . 1 1 54 54 VAL HA H 54 4.100 4.100 4.257 -0.157 25449 1335 1 3 . 1 1 54 54 VAL C C 54 173.000 173.000 174.179 -1.179 25449 1336 1 3 . 1 1 54 54 VAL CA C 54 61.700 61.700 61.599 0.101 25449 1337 1 3 . 1 1 54 54 VAL CB C 54 34.400 34.400 34.439 -0.039 25449 1338 1 3 . 1 1 54 54 VAL H H 54 9.060 9.060 8.373 0.687 25449 1339 1 3 . 1 1 55 55 GLU N N 55 127.300 127.300 126.232 1.068 25449 1340 1 3 . 1 1 55 55 GLU HA H 55 5.160 5.160 4.796 0.364 25449 1341 1 3 . 1 1 55 55 GLU C C 55 175.900 175.900 175.609 0.291 25449 1342 1 3 . 1 1 55 55 GLU CA C 55 54.000 54.000 54.486 -0.485 25449 1343 1 3 . 1 1 55 55 GLU CB C 55 31.700 31.700 32.032 -0.333 25449 1344 1 3 . 1 1 55 55 GLU H H 55 8.860 8.860 8.201 0.659 25449 1345 1 3 . 1 1 56 56 TYR N N 56 127.500 127.500 123.229 4.271 25449 1346 1 3 . 1 1 56 56 TYR HA H 56 4.520 4.520 4.527 -0.007 25449 1347 1 3 . 1 1 56 56 TYR C C 56 175.000 175.000 176.228 -1.228 25449 1348 1 3 . 1 1 56 56 TYR CA C 56 59.700 59.700 57.539 2.161 25449 1349 1 3 . 1 1 56 56 TYR CB C 56 40.200 40.200 40.256 -0.056 25449 1350 1 3 . 1 1 56 56 TYR H H 56 9.470 9.470 8.338 1.132 25449 1351 1 3 . 1 1 57 57 VAL N N 57 119.200 119.200 118.608 0.592 25449 1352 1 3 . 1 1 57 57 VAL HA H 57 3.570 3.570 3.988 -0.418 25449 1353 1 3 . 1 1 57 57 VAL C C 57 177.000 177.000 175.003 1.997 25449 1354 1 3 . 1 1 57 57 VAL CA C 57 66.300 66.300 63.928 2.372 25449 1355 1 3 . 1 1 57 57 VAL CB C 57 32.000 32.000 32.451 -0.451 25449 1356 1 3 . 1 1 57 57 VAL H H 57 7.800 7.800 8.310 -0.510 25449 1357 1 3 . 1 1 58 58 GLU N N 58 118.500 118.500 117.840 0.660 25449 1358 1 3 . 1 1 58 58 GLU HA H 58 4.780 4.780 4.577 0.203 25449 1359 1 3 . 1 1 58 58 GLU C C 58 177.500 177.500 176.304 1.196 25449 1360 1 3 . 1 1 58 58 GLU CA C 58 53.800 53.800 55.157 -1.357 25449 1361 1 3 . 1 1 58 58 GLU CB C 58 30.500 30.500 31.427 -0.927 25449 1362 1 3 . 1 1 58 58 GLU H H 58 9.530 9.530 7.853 1.677 25449 1363 1 3 . 1 1 59 59 VAL N N 59 125.200 125.200 125.358 -0.158 25449 1364 1 3 . 1 1 59 59 VAL HA H 59 3.530 3.530 3.799 -0.269 25449 1365 1 3 . 1 1 59 59 VAL C C 59 177.600 177.600 176.839 0.761 25449 1366 1 3 . 1 1 59 59 VAL CA C 59 66.100 66.100 64.748 1.353 25449 1367 1 3 . 1 1 59 59 VAL CB C 59 31.700 31.700 32.113 -0.413 25449 1368 1 3 . 1 1 59 59 VAL H H 59 8.650 8.650 8.773 -0.123 25449 1369 1 3 . 1 1 60 60 ASP N N 60 118.500 118.500 119.453 -0.953 25449 1370 1 3 . 1 1 60 60 ASP HA H 60 4.220 4.220 4.385 -0.165 25449 1371 1 3 . 1 1 60 60 ASP C C 60 178.300 178.300 178.099 0.201 25449 1372 1 3 . 1 1 60 60 ASP CA C 60 57.600 57.600 57.336 0.264 25449 1373 1 3 . 1 1 60 60 ASP CB C 60 40.500 40.500 40.658 -0.158 25449 1374 1 3 . 1 1 60 60 ASP H H 60 8.970 8.970 8.457 0.513 25449 1375 1 3 . 1 1 61 61 ASP N N 61 119.900 119.900 119.106 0.794 25449 1376 1 3 . 1 1 61 61 ASP HA H 61 4.360 4.360 4.406 -0.046 25449 1377 1 3 . 1 1 61 61 ASP C C 61 176.800 176.800 177.957 -1.157 25449 1378 1 3 . 1 1 61 61 ASP CA C 61 56.900 56.900 56.898 0.003 25449 1379 1 3 . 1 1 61 61 ASP CB C 61 39.800 39.800 40.843 -1.043 25449 1380 1 3 . 1 1 61 61 ASP H H 61 6.920 6.920 8.496 -1.576 25449 1381 1 3 . 1 1 62 62 ALA N N 62 122.700 122.700 121.680 1.020 25449 1382 1 3 . 1 1 62 62 ALA HA H 62 3.380 3.380 3.570 -0.190 25449 1383 1 3 . 1 1 62 62 ALA C C 62 171.600 171.600 179.664 -8.064 25449 1384 1 3 . 1 1 62 62 ALA CA C 62 55.100 55.100 55.145 -0.045 25449 1385 1 3 . 1 1 62 62 ALA CB C 62 18.200 18.200 18.283 -0.083 25449 1386 1 3 . 1 1 62 62 ALA H H 62 6.910 6.910 7.664 -0.754 25449 1387 1 3 . 1 1 63 63 LYS N N 63 116.200 116.200 118.343 -2.143 25449 1388 1 3 . 1 1 63 63 LYS HA H 63 4.190 4.190 3.985 0.205 25449 1389 1 3 . 1 1 63 63 LYS C C 63 179.200 179.200 178.969 0.231 25449 1390 1 3 . 1 1 63 63 LYS CA C 63 59.300 59.300 59.477 -0.177 25449 1391 1 3 . 1 1 63 63 LYS CB C 63 32.600 32.600 32.084 0.516 25449 1392 1 3 . 1 1 63 63 LYS H H 63 8.020 8.020 7.707 0.313 25449 1393 1 3 . 1 1 64 64 HIS N N 64 117.400 117.400 117.905 -0.505 25449 1394 1 3 . 1 1 64 64 HIS HA H 64 4.310 4.310 4.396 -0.086 25449 1395 1 3 . 1 1 64 64 HIS CA C 64 58.000 58.000 58.864 -0.864 25449 1396 1 3 . 1 1 64 64 HIS CB C 64 29.100 29.100 29.990 -0.890 25449 1397 1 3 . 1 1 64 64 HIS H H 64 7.460 7.460 7.574 -0.114 25449 1398 1 3 . 1 1 65 65 ALA N N 65 123.700 123.700 121.437 2.263 25449 1399 1 3 . 1 1 65 65 ALA HA H 65 2.170 2.170 4.016 -1.846 25449 1400 1 3 . 1 1 65 65 ALA C C 65 178.700 178.700 179.764 -1.064 25449 1401 1 3 . 1 1 65 65 ALA CA C 65 54.800 54.800 54.733 0.067 25449 1402 1 3 . 1 1 65 65 ALA CB C 65 19.400 19.400 18.440 0.960 25449 1403 1 3 . 1 1 65 65 ALA H H 65 8.190 8.190 7.923 0.267 25449 1404 1 3 . 1 1 66 66 LEU N N 66 119.800 119.800 119.610 0.190 25449 1405 1 3 . 1 1 66 66 LEU HA H 66 3.430 3.430 4.044 -0.614 25449 1406 1 3 . 1 1 66 66 LEU C C 66 178.700 178.700 178.853 -0.153 25449 1407 1 3 . 1 1 66 66 LEU CA C 66 59.700 59.700 57.602 2.098 25449 1408 1 3 . 1 1 66 66 LEU CB C 66 41.100 41.100 41.673 -0.573 25449 1409 1 3 . 1 1 66 66 LEU H H 66 8.340 8.340 7.425 0.915 25449 1410 1 3 . 1 1 67 67 TYR N N 67 116.200 116.200 114.908 1.292 25449 1411 1 3 . 1 1 67 67 TYR HA H 67 4.010 4.010 4.329 -0.319 25449 1412 1 3 . 1 1 67 67 TYR C C 67 177.700 177.700 177.275 0.425 25449 1413 1 3 . 1 1 67 67 TYR CA C 67 60.500 60.500 61.025 -0.525 25449 1414 1 3 . 1 1 67 67 TYR CB C 67 38.100 38.100 37.703 0.397 25449 1415 1 3 . 1 1 67 67 TYR H H 67 7.760 7.760 7.637 0.123 25449 1416 1 3 . 1 1 68 68 ASN N N 68 113.900 113.900 115.077 -1.177 25449 1417 1 3 . 1 1 68 68 ASN HA H 68 4.430 4.430 4.736 -0.306 25449 1418 1 3 . 1 1 68 68 ASN C C 68 176.400 176.400 175.583 0.817 25449 1419 1 3 . 1 1 68 68 ASN CA C 68 55.600 55.600 53.966 1.634 25449 1420 1 3 . 1 1 68 68 ASN CB C 68 41.400 41.400 38.947 2.453 25449 1421 1 3 . 1 1 68 68 ASN H H 68 7.480 7.480 7.645 -0.165 25449 1422 1 3 . 1 1 69 69 MET N N 69 114.900 114.900 115.956 -1.056 25449 1423 1 3 . 1 1 69 69 MET HA H 69 4.760 4.760 4.671 0.089 25449 1424 1 3 . 1 1 69 69 MET C C 69 177.000 177.000 176.268 0.732 25449 1425 1 3 . 1 1 69 69 MET CA C 69 53.500 53.500 53.957 -0.457 25449 1426 1 3 . 1 1 69 69 MET CB C 69 31.100 31.100 32.855 -1.756 25449 1427 1 3 . 1 1 69 69 MET H H 69 8.310 8.310 7.727 0.583 25449 1428 1 3 . 1 1 70 70 ASN N N 70 117.700 117.700 117.531 0.169 25449 1429 1 3 . 1 1 70 70 ASN HA H 70 4.370 4.370 4.547 -0.177 25449 1430 1 3 . 1 1 70 70 ASN C C 70 176.400 176.400 176.259 0.141 25449 1431 1 3 . 1 1 70 70 ASN CA C 70 56.100 56.100 55.244 0.856 25449 1432 1 3 . 1 1 70 70 ASN CB C 70 38.700 38.700 38.212 0.488 25449 1433 1 3 . 1 1 70 70 ASN H H 70 7.660 7.660 7.895 -0.235 25449 1434 1 3 . 1 1 71 71 ASN N N 71 121.500 121.500 116.603 4.897 25449 1435 1 3 . 1 1 71 71 ASN HA H 71 4.510 4.510 4.646 -0.136 25449 1436 1 3 . 1 1 71 71 ASN C C 71 173.300 173.300 175.435 -2.135 25449 1437 1 3 . 1 1 71 71 ASN CA C 71 55.800 55.800 54.007 1.793 25449 1438 1 3 . 1 1 71 71 ASN CB C 71 38.200 38.200 38.433 -0.233 25449 1439 1 3 . 1 1 71 71 ASN H H 71 8.600 8.600 8.440 0.160 25449 1440 1 3 . 1 1 72 72 PHE N N 72 122.300 122.300 122.822 -0.522 25449 1441 1 3 . 1 1 72 72 PHE HA H 72 4.190 4.190 4.440 -0.250 25449 1442 1 3 . 1 1 72 72 PHE C C 72 174.100 174.100 174.330 -0.230 25449 1443 1 3 . 1 1 72 72 PHE CA C 72 58.700 58.700 57.635 1.065 25449 1444 1 3 . 1 1 72 72 PHE CB C 72 41.300 41.300 40.100 1.200 25449 1445 1 3 . 1 1 72 72 PHE H H 72 7.870 7.870 7.843 0.027 25449 1446 1 3 . 1 1 73 73 GLU N N 73 126.100 126.100 128.373 -2.273 25449 1447 1 3 . 1 1 73 73 GLU HA H 73 4.230 4.230 4.456 -0.226 25449 1448 1 3 . 1 1 73 73 GLU C C 73 173.000 173.000 174.440 -1.440 25449 1449 1 3 . 1 1 73 73 GLU CA C 73 55.600 55.600 54.768 0.832 25449 1450 1 3 . 1 1 73 73 GLU CB C 73 30.300 30.300 31.253 -0.953 25449 1451 1 3 . 1 1 73 73 GLU H H 73 7.690 7.690 8.219 -0.529 25449 1452 1 3 . 1 1 74 74 LEU N N 74 128.900 128.900 127.226 1.674 25449 1453 1 3 . 1 1 74 74 LEU HA H 74 4.520 4.520 4.224 0.296 25449 1454 1 3 . 1 1 74 74 LEU C C 74 175.500 175.500 175.653 -0.153 25449 1455 1 3 . 1 1 74 74 LEU CA C 74 53.300 53.300 53.987 -0.687 25449 1456 1 3 . 1 1 74 74 LEU CB C 74 44.600 44.600 41.566 3.034 25449 1457 1 3 . 1 1 74 74 LEU H H 74 8.620 8.620 8.401 0.219 25449 1458 1 3 . 1 1 75 75 ASN N N 75 126.800 126.800 123.967 2.833 25449 1459 1 3 . 1 1 75 75 ASN HA H 75 4.210 4.210 4.480 -0.270 25449 1460 1 3 . 1 1 75 75 ASN C C 75 175.600 175.600 175.719 -0.119 25449 1461 1 3 . 1 1 75 75 ASN CA C 75 53.900 53.900 54.044 -0.144 25449 1462 1 3 . 1 1 75 75 ASN CB C 75 36.900 36.900 37.307 -0.407 25449 1463 1 3 . 1 1 75 75 ASN H H 75 9.520 9.520 8.938 0.582 25449 1464 1 3 . 1 1 76 76 GLY N N 76 102.300 102.300 102.427 -0.127 25449 1465 1 3 . 1 1 76 76 GLY C C 76 173.600 173.600 173.463 0.137 25449 1466 1 3 . 1 1 76 76 GLY CA C 76 45.300 45.300 45.353 -0.053 25449 1467 1 3 . 1 1 76 76 GLY H H 76 8.500 8.500 8.476 0.024 25449 1468 1 3 . 1 1 77 77 LYS N N 77 120.800 120.800 118.321 2.479 25449 1469 1 3 . 1 1 77 77 LYS HA H 77 4.570 4.570 4.519 0.051 25449 1470 1 3 . 1 1 77 77 LYS C C 77 175.100 175.100 174.251 0.849 25449 1471 1 3 . 1 1 77 77 LYS CA C 77 54.200 54.200 54.619 -0.419 25449 1472 1 3 . 1 1 77 77 LYS CB C 77 34.500 34.500 34.845 -0.345 25449 1473 1 3 . 1 1 77 77 LYS H H 77 7.580 7.580 7.534 0.046 25449 1474 1 3 . 1 1 78 78 ARG N N 78 123.300 123.300 123.653 -0.353 25449 1475 1 3 . 1 1 78 78 ARG HA H 78 4.480 4.480 4.479 0.001 25449 1476 1 3 . 1 1 78 78 ARG C C 78 176.600 176.600 175.878 0.722 25449 1477 1 3 . 1 1 78 78 ARG CA C 78 55.300 55.300 55.519 -0.219 25449 1478 1 3 . 1 1 78 78 ARG CB C 78 30.300 30.300 31.000 -0.700 25449 1479 1 3 . 1 1 78 78 ARG H H 78 8.580 8.580 8.475 0.105 25449 1480 1 3 . 1 1 79 79 ILE N N 79 120.100 120.100 121.806 -1.706 25449 1481 1 3 . 1 1 79 79 ILE HA H 79 4.700 4.700 4.452 0.248 25449 1482 1 3 . 1 1 79 79 ILE C C 79 175.200 175.200 175.125 0.075 25449 1483 1 3 . 1 1 79 79 ILE CA C 79 60.000 60.000 60.051 -0.051 25449 1484 1 3 . 1 1 79 79 ILE CB C 79 39.400 39.400 39.312 0.088 25449 1485 1 3 . 1 1 79 79 ILE H H 79 8.450 8.450 8.563 -0.113 25449 1486 1 3 . 1 1 80 80 HIS N N 80 119.900 119.900 125.331 -5.431 25449 1487 1 3 . 1 1 80 80 HIS HA H 80 5.190 5.190 4.743 0.447 25449 1488 1 3 . 1 1 80 80 HIS C C 80 173.600 173.600 173.871 -0.271 25449 1489 1 3 . 1 1 80 80 HIS CA C 80 53.800 53.800 55.289 -1.489 25449 1490 1 3 . 1 1 80 80 HIS CB C 80 31.300 31.300 31.402 -0.102 25449 1491 1 3 . 1 1 80 80 HIS H H 80 8.580 8.580 8.114 0.466 25449 1492 1 3 . 1 1 81 81 VAL N N 81 123.800 123.800 126.371 -2.571 25449 1493 1 3 . 1 1 81 81 VAL HA H 81 5.280 5.280 5.038 0.242 25449 1494 1 3 . 1 1 81 81 VAL C C 81 173.600 173.600 174.883 -1.283 25449 1495 1 3 . 1 1 81 81 VAL CA C 81 60.200 60.200 60.918 -0.718 25449 1496 1 3 . 1 1 81 81 VAL CB C 81 35.000 35.000 33.690 1.310 25449 1497 1 3 . 1 1 81 81 VAL H H 81 8.650 8.650 8.377 0.273 25449 1498 1 3 . 1 1 82 82 ASN N N 82 121.100 121.100 124.586 -3.486 25449 1499 1 3 . 1 1 82 82 ASN HA H 82 4.750 4.750 4.938 -0.188 25449 1500 1 3 . 1 1 82 82 ASN C C 82 174.000 174.000 173.340 0.660 25449 1501 1 3 . 1 1 82 82 ASN CA C 82 51.900 51.900 51.687 0.213 25449 1502 1 3 . 1 1 82 82 ASN CB C 82 42.900 42.900 42.113 0.787 25449 1503 1 3 . 1 1 82 82 ASN H H 82 8.890 8.890 8.391 0.499 25449 1504 1 3 . 1 1 83 83 TYR N N 83 120.400 120.400 120.632 -0.232 25449 1505 1 3 . 1 1 83 83 TYR HA H 83 4.800 4.800 4.756 0.044 25449 1506 1 3 . 1 1 83 83 TYR C C 83 177.100 177.100 174.865 2.235 25449 1507 1 3 . 1 1 83 83 TYR CA C 83 59.400 59.400 57.949 1.451 25449 1508 1 3 . 1 1 83 83 TYR CB C 83 38.700 38.700 39.417 -0.717 25449 1509 1 3 . 1 1 83 83 TYR H H 83 8.480 8.480 8.675 -0.195 25449 1510 1 3 . 1 1 84 84 SER N N 84 118.000 118.000 117.584 0.416 25449 1511 1 3 . 1 1 84 84 SER HA H 84 4.520 4.520 4.331 0.189 25449 1512 1 3 . 1 1 84 84 SER C C 84 174.100 174.100 171.836 2.264 25449 1513 1 3 . 1 1 84 84 SER CA C 84 57.700 57.700 56.614 1.086 25449 1514 1 3 . 1 1 84 84 SER CB C 84 64.300 64.300 65.913 -1.613 25449 1515 1 3 . 1 1 84 84 SER H H 84 9.040 9.040 7.373 1.667 25449 1516 1 3 . 1 1 85 85 LYS N N 85 125.300 125.300 119.888 5.412 25449 1517 1 3 . 1 1 85 85 LYS HA H 85 4.440 4.440 4.313 0.127 25449 1518 1 3 . 1 1 85 85 LYS C C 85 175.600 175.600 175.431 0.169 25449 1519 1 3 . 1 1 85 85 LYS CA C 85 56.300 56.300 55.509 0.791 25449 1520 1 3 . 1 1 85 85 LYS CB C 85 33.700 33.700 33.411 0.289 25449 1521 1 3 . 1 1 85 85 LYS H H 85 8.410 8.410 8.197 0.213 25449 1522 1 4 . 1 1 -1 -1 SER N N -1 115.600 115.600 116.538 -0.938 25449 1523 1 4 . 1 1 -1 -1 SER HA H -1 4.410 4.410 4.687 -0.277 25449 1524 1 4 . 1 1 -1 -1 SER C C -1 172.000 172.000 173.315 -1.315 25449 1525 1 4 . 1 1 -1 -1 SER CA C -1 58.200 58.200 58.473 -0.273 25449 1526 1 4 . 1 1 -1 -1 SER CB C -1 63.900 63.900 63.403 0.497 25449 1527 1 4 . 1 1 -1 -1 SER H H -1 8.670 8.670 8.745 -0.075 25449 1528 1 4 . 1 1 0 0 HIS N N 0 121.200 121.200 118.987 2.213 25449 1529 1 4 . 1 1 0 0 HIS HA H 0 4.590 4.590 4.621 -0.031 25449 1530 1 4 . 1 1 0 0 HIS C C 0 174.800 174.800 172.834 1.966 25449 1531 1 4 . 1 1 0 0 HIS CA C 0 56.100 56.100 56.301 -0.201 25449 1532 1 4 . 1 1 0 0 HIS CB C 0 29.900 29.900 29.976 -0.076 25449 1533 1 4 . 1 1 0 0 HIS H H 0 8.730 8.730 8.169 0.561 25449 1534 1 4 . 1 1 1 1 MET N N 1 121.800 121.800 119.974 1.826 25449 1535 1 4 . 1 1 1 1 MET HA H 1 4.370 4.370 5.298 -0.928 25449 1536 1 4 . 1 1 1 1 MET C C 1 176.300 176.300 174.762 1.538 25449 1537 1 4 . 1 1 1 1 MET CA C 1 55.700 55.700 54.840 0.861 25449 1538 1 4 . 1 1 1 1 MET CB C 1 32.800 32.800 35.072 -2.272 25449 1539 1 4 . 1 1 1 1 MET H H 1 8.450 8.450 8.132 0.318 25449 1540 1 4 . 1 1 2 2 SER N N 2 116.700 116.700 117.857 -1.157 25449 1541 1 4 . 1 1 2 2 SER HA H 2 4.370 4.370 4.637 -0.267 25449 1542 1 4 . 1 1 2 2 SER C C 2 174.200 174.200 174.371 -0.171 25449 1543 1 4 . 1 1 2 2 SER CA C 2 58.400 58.400 59.748 -1.349 25449 1544 1 4 . 1 1 2 2 SER CB C 2 63.800 63.800 64.316 -0.516 25449 1545 1 4 . 1 1 2 2 SER H H 2 8.410 8.410 9.114 -0.704 25449 1546 1 4 . 1 1 3 3 ASP N N 3 122.100 122.100 117.504 4.596 25449 1547 1 4 . 1 1 3 3 ASP HA H 3 4.550 4.550 4.657 -0.107 25449 1548 1 4 . 1 1 3 3 ASP C C 3 176.100 176.100 175.308 0.792 25449 1549 1 4 . 1 1 3 3 ASP CA C 3 54.500 54.500 54.185 0.315 25449 1550 1 4 . 1 1 3 3 ASP CB C 3 41.200 41.200 41.227 -0.027 25449 1551 1 4 . 1 1 3 3 ASP H H 3 8.340 8.340 8.458 -0.118 25449 1552 1 4 . 1 1 4 4 ASN N N 4 119.100 119.100 119.694 -0.594 25449 1553 1 4 . 1 1 4 4 ASN HA H 4 4.580 4.580 4.643 -0.063 25449 1554 1 4 . 1 1 4 4 ASN C C 4 174.900 174.900 175.310 -0.410 25449 1555 1 4 . 1 1 4 4 ASN CA C 4 53.700 53.700 52.670 1.030 25449 1556 1 4 . 1 1 4 4 ASN CB C 4 38.900 38.900 38.529 0.371 25449 1557 1 4 . 1 1 4 4 ASN H H 4 8.420 8.420 7.869 0.551 25449 1558 1 4 . 1 1 5 5 ASN N N 5 118.400 118.400 118.931 -0.531 25449 1559 1 4 . 1 1 5 5 ASN HA H 5 4.540 4.540 4.594 -0.054 25449 1560 1 4 . 1 1 5 5 ASN C C 5 173.900 173.900 174.587 -0.687 25449 1561 1 4 . 1 1 5 5 ASN CA C 5 53.200 53.200 53.413 -0.213 25449 1562 1 4 . 1 1 5 5 ASN CB C 5 38.700 38.700 38.776 -0.076 25449 1563 1 4 . 1 1 5 5 ASN H H 5 8.340 8.340 8.514 -0.174 25449 1564 1 4 . 1 1 6 6 ALA N N 6 122.100 122.100 119.792 2.308 25449 1565 1 4 . 1 1 6 6 ALA HA H 6 2.740 2.740 3.652 -0.912 25449 1566 1 4 . 1 1 6 6 ALA C C 6 177.000 177.000 176.208 0.792 25449 1567 1 4 . 1 1 6 6 ALA CA C 6 52.300 52.300 52.134 0.166 25449 1568 1 4 . 1 1 6 6 ALA CB C 6 20.000 20.000 18.965 1.035 25449 1569 1 4 . 1 1 6 6 ALA H H 6 7.590 7.590 7.394 0.196 25449 1570 1 4 . 1 1 7 7 THR N N 7 112.700 112.700 117.334 -4.634 25449 1571 1 4 . 1 1 7 7 THR HA H 7 4.390 4.390 4.335 0.055 25449 1572 1 4 . 1 1 7 7 THR C C 7 171.700 171.700 175.048 -3.348 25449 1573 1 4 . 1 1 7 7 THR CA C 7 59.800 59.800 61.650 -1.849 25449 1574 1 4 . 1 1 7 7 THR CB C 7 70.600 70.600 70.082 0.518 25449 1575 1 4 . 1 1 7 7 THR H H 7 6.840 6.840 7.929 -1.089 25449 1576 1 4 . 1 1 8 8 ASP N N 8 114.600 114.600 122.609 -8.009 25449 1577 1 4 . 1 1 8 8 ASP HA H 8 4.490 4.490 4.300 0.190 25449 1578 1 4 . 1 1 8 8 ASP C C 8 174.300 174.300 174.407 -0.107 25449 1579 1 4 . 1 1 8 8 ASP CA C 8 53.500 53.500 55.767 -2.267 25449 1580 1 4 . 1 1 8 8 ASP CB C 8 39.800 39.800 40.092 -0.292 25449 1581 1 4 . 1 1 8 8 ASP H H 8 8.170 8.170 8.757 -0.587 25449 1582 1 4 . 1 1 9 9 ILE N N 9 117.800 117.800 118.478 -0.678 25449 1583 1 4 . 1 1 9 9 ILE HA H 9 4.810 4.810 5.025 -0.215 25449 1584 1 4 . 1 1 9 9 ILE C C 9 174.700 174.700 174.321 0.379 25449 1585 1 4 . 1 1 9 9 ILE CA C 9 60.600 60.600 60.280 0.320 25449 1586 1 4 . 1 1 9 9 ILE CB C 9 40.300 40.300 40.528 -0.228 25449 1587 1 4 . 1 1 9 9 ILE H H 9 7.890 7.890 7.505 0.385 25449 1588 1 4 . 1 1 10 10 LEU N N 10 125.300 125.300 127.824 -2.524 25449 1589 1 4 . 1 1 10 10 LEU HA H 10 4.960 4.960 4.857 0.103 25449 1590 1 4 . 1 1 10 10 LEU C C 10 176.100 176.100 175.368 0.732 25449 1591 1 4 . 1 1 10 10 LEU CA C 10 52.900 52.900 54.128 -1.228 25449 1592 1 4 . 1 1 10 10 LEU CB C 10 43.100 43.100 44.740 -1.641 25449 1593 1 4 . 1 1 10 10 LEU H H 10 9.370 9.370 8.314 1.056 25449 1594 1 4 . 1 1 11 11 PHE N N 11 124.300 124.300 127.410 -3.110 25449 1595 1 4 . 1 1 11 11 PHE HA H 11 4.670 4.670 4.963 -0.293 25449 1596 1 4 . 1 1 11 11 PHE C C 11 173.400 173.400 173.864 -0.464 25449 1597 1 4 . 1 1 11 11 PHE CA C 11 57.000 57.000 55.962 1.038 25449 1598 1 4 . 1 1 11 11 PHE CB C 11 40.700 40.700 39.400 1.300 25449 1599 1 4 . 1 1 11 11 PHE H H 11 9.310 9.310 8.498 0.812 25449 1600 1 4 . 1 1 12 12 VAL N N 12 128.300 128.300 126.324 1.976 25449 1601 1 4 . 1 1 12 12 VAL HA H 12 4.420 4.420 4.498 -0.078 25449 1602 1 4 . 1 1 12 12 VAL C C 12 173.900 173.900 175.385 -1.485 25449 1603 1 4 . 1 1 12 12 VAL CA C 12 60.200 60.200 59.968 0.232 25449 1604 1 4 . 1 1 12 12 VAL CB C 12 33.100 33.100 31.274 1.826 25449 1605 1 4 . 1 1 12 12 VAL H H 12 8.380 8.380 7.765 0.615 25449 1606 1 4 . 1 1 13 13 GLY N N 13 111.800 111.800 111.589 0.211 25449 1607 1 4 . 1 1 13 13 GLY C C 13 173.800 173.800 173.608 0.192 25449 1608 1 4 . 1 1 13 13 GLY CA C 13 43.400 43.400 43.482 -0.082 25449 1609 1 4 . 1 1 13 13 GLY H H 13 9.150 9.150 7.483 1.667 25449 1610 1 4 . 1 1 14 14 GLY N N 14 107.600 107.600 107.972 -0.372 25449 1611 1 4 . 1 1 14 14 GLY C C 14 175.400 175.400 173.944 1.456 25449 1612 1 4 . 1 1 14 14 GLY CA C 14 45.800 45.800 44.975 0.825 25449 1613 1 4 . 1 1 14 14 GLY H H 14 8.260 8.260 8.127 0.133 25449 1614 1 4 . 1 1 15 15 ILE N N 15 111.100 111.100 116.014 -4.914 25449 1615 1 4 . 1 1 15 15 ILE HA H 15 4.040 4.040 4.299 -0.259 25449 1616 1 4 . 1 1 15 15 ILE C C 15 175.500 175.500 175.441 0.059 25449 1617 1 4 . 1 1 15 15 ILE CA C 15 60.500 60.500 58.844 1.656 25449 1618 1 4 . 1 1 15 15 ILE CB C 15 38.500 38.500 39.455 -0.955 25449 1619 1 4 . 1 1 15 15 ILE H H 15 6.930 6.930 7.134 -0.204 25449 1620 1 4 . 1 1 16 16 ASP N N 16 122.800 122.800 120.816 1.984 25449 1621 1 4 . 1 1 16 16 ASP HA H 16 4.580 4.580 4.581 -0.001 25449 1622 1 4 . 1 1 16 16 ASP C C 16 177.200 177.200 176.636 0.564 25449 1623 1 4 . 1 1 16 16 ASP CA C 16 53.700 53.700 53.812 -0.112 25449 1624 1 4 . 1 1 16 16 ASP CB C 16 42.500 42.500 42.667 -0.167 25449 1625 1 4 . 1 1 16 16 ASP H H 16 8.320 8.320 8.522 -0.202 25449 1626 1 4 . 1 1 17 17 GLU N N 17 119.600 119.600 122.121 -2.521 25449 1627 1 4 . 1 1 17 17 GLU HA H 17 4.140 4.140 4.165 -0.025 25449 1628 1 4 . 1 1 17 17 GLU C C 17 176.800 176.800 176.305 0.495 25449 1629 1 4 . 1 1 17 17 GLU CA C 17 58.600 58.600 58.207 0.393 25449 1630 1 4 . 1 1 17 17 GLU CB C 17 29.800 29.800 29.093 0.707 25449 1631 1 4 . 1 1 17 17 GLU H H 17 8.830 8.830 8.797 0.033 25449 1632 1 4 . 1 1 18 18 THR N N 18 111.300 111.300 115.257 -3.957 25449 1633 1 4 . 1 1 18 18 THR HA H 18 4.250 4.250 4.388 -0.138 25449 1634 1 4 . 1 1 18 18 THR C C 18 175.200 175.200 173.987 1.213 25449 1635 1 4 . 1 1 18 18 THR CA C 18 62.600 62.600 61.016 1.585 25449 1636 1 4 . 1 1 18 18 THR CB C 18 69.600 69.600 69.257 0.343 25449 1637 1 4 . 1 1 18 18 THR H H 18 8.740 8.740 7.815 0.925 25449 1638 1 4 . 1 1 19 19 ILE N N 19 123.300 123.300 120.286 3.014 25449 1639 1 4 . 1 1 19 19 ILE HA H 19 3.880 3.880 4.342 -0.462 25449 1640 1 4 . 1 1 19 19 ILE C C 19 174.300 174.300 174.335 -0.035 25449 1641 1 4 . 1 1 19 19 ILE CA C 19 59.900 59.900 58.971 0.929 25449 1642 1 4 . 1 1 19 19 ILE CB C 19 35.600 35.600 38.285 -2.685 25449 1643 1 4 . 1 1 19 19 ILE H H 19 7.220 7.220 7.500 -0.280 25449 1644 1 4 . 1 1 20 20 ASP N N 20 125.600 125.600 125.594 0.006 25449 1645 1 4 . 1 1 20 20 ASP HA H 20 4.640 4.640 4.838 -0.198 25449 1646 1 4 . 1 1 20 20 ASP C C 20 175.300 175.300 177.219 -1.919 25449 1647 1 4 . 1 1 20 20 ASP CA C 20 51.500 51.500 52.391 -0.891 25449 1648 1 4 . 1 1 20 20 ASP CB C 20 43.000 43.000 44.284 -1.284 25449 1649 1 4 . 1 1 20 20 ASP H H 20 7.790 7.790 8.453 -0.663 25449 1650 1 4 . 1 1 21 21 GLU N N 21 118.400 118.400 120.993 -2.593 25449 1651 1 4 . 1 1 21 21 GLU HA H 21 3.630 3.630 3.966 -0.336 25449 1652 1 4 . 1 1 21 21 GLU C C 21 177.900 177.900 178.226 -0.326 25449 1653 1 4 . 1 1 21 21 GLU CA C 21 60.900 60.900 60.103 0.797 25449 1654 1 4 . 1 1 21 21 GLU CB C 21 29.200 29.200 29.680 -0.480 25449 1655 1 4 . 1 1 21 21 GLU H H 21 9.220 9.220 8.876 0.344 25449 1656 1 4 . 1 1 22 22 LYS N N 22 119.700 119.700 117.988 1.712 25449 1657 1 4 . 1 1 22 22 LYS HA H 22 4.060 4.060 4.101 -0.041 25449 1658 1 4 . 1 1 22 22 LYS C C 22 178.500 178.500 178.604 -0.104 25449 1659 1 4 . 1 1 22 22 LYS CA C 22 59.300 59.300 59.170 0.130 25449 1660 1 4 . 1 1 22 22 LYS CB C 22 31.800 31.800 31.481 0.319 25449 1661 1 4 . 1 1 22 22 LYS H H 22 8.040 8.040 8.560 -0.520 25449 1662 1 4 . 1 1 23 23 SER N N 23 114.900 114.900 117.519 -2.619 25449 1663 1 4 . 1 1 23 23 SER HA H 23 4.300 4.300 4.298 0.002 25449 1664 1 4 . 1 1 23 23 SER C C 23 177.600 177.600 176.673 0.927 25449 1665 1 4 . 1 1 23 23 SER CA C 23 61.800 61.800 61.658 0.142 25449 1666 1 4 . 1 1 23 23 SER CB C 23 62.900 62.900 62.373 0.527 25449 1667 1 4 . 1 1 23 23 SER H H 23 8.240 8.240 7.763 0.477 25449 1668 1 4 . 1 1 24 24 LEU N N 24 118.800 118.800 121.535 -2.735 25449 1669 1 4 . 1 1 24 24 LEU HA H 24 4.180 4.180 4.259 -0.079 25449 1670 1 4 . 1 1 24 24 LEU C C 24 178.700 178.700 178.980 -0.280 25449 1671 1 4 . 1 1 24 24 LEU CA C 24 57.300 57.300 56.794 0.506 25449 1672 1 4 . 1 1 24 24 LEU CB C 24 42.100 42.100 41.535 0.565 25449 1673 1 4 . 1 1 24 24 LEU H H 24 7.750 7.750 7.375 0.375 25449 1674 1 4 . 1 1 25 25 TYR N N 25 123.200 123.200 121.574 1.626 25449 1675 1 4 . 1 1 25 25 TYR HA H 25 3.630 3.630 4.098 -0.468 25449 1676 1 4 . 1 1 25 25 TYR C C 25 178.600 178.600 177.182 1.418 25449 1677 1 4 . 1 1 25 25 TYR CA C 25 63.200 63.200 61.436 1.764 25449 1678 1 4 . 1 1 25 25 TYR CB C 25 38.200 38.200 38.670 -0.470 25449 1679 1 4 . 1 1 25 25 TYR H H 25 8.970 8.970 7.549 1.421 25449 1680 1 4 . 1 1 26 26 ASP N N 26 119.800 119.800 117.645 2.155 25449 1681 1 4 . 1 1 26 26 ASP HA H 26 4.270 4.270 4.569 -0.299 25449 1682 1 4 . 1 1 26 26 ASP C C 26 177.900 177.900 178.098 -0.198 25449 1683 1 4 . 1 1 26 26 ASP CA C 26 57.700 57.700 57.663 0.037 25449 1684 1 4 . 1 1 26 26 ASP CB C 26 40.000 40.000 41.086 -1.086 25449 1685 1 4 . 1 1 26 26 ASP H H 26 8.510 8.510 7.835 0.675 25449 1686 1 4 . 1 1 27 27 ILE N N 27 114.700 114.700 118.343 -3.643 25449 1687 1 4 . 1 1 27 27 ILE HA H 27 3.960 3.960 3.925 0.035 25449 1688 1 4 . 1 1 27 27 ILE C C 27 177.700 177.700 177.591 0.109 25449 1689 1 4 . 1 1 27 27 ILE CA C 27 63.300 63.300 64.627 -1.327 25449 1690 1 4 . 1 1 27 27 ILE CB C 27 39.000 39.000 38.456 0.544 25449 1691 1 4 . 1 1 27 27 ILE H H 27 7.320 7.320 7.752 -0.432 25449 1692 1 4 . 1 1 28 28 PHE N N 28 116.900 116.900 117.176 -0.276 25449 1693 1 4 . 1 1 28 28 PHE HA H 28 4.370 4.370 4.555 -0.185 25449 1694 1 4 . 1 1 28 28 PHE C C 28 179.900 179.900 177.065 2.835 25449 1695 1 4 . 1 1 28 28 PHE CA C 28 62.300 62.300 58.965 3.336 25449 1696 1 4 . 1 1 28 28 PHE CB C 28 37.300 37.300 38.645 -1.345 25449 1697 1 4 . 1 1 28 28 PHE H H 28 8.650 8.650 8.037 0.613 25449 1698 1 4 . 1 1 29 29 SER N N 29 120.100 120.100 112.486 7.614 25449 1699 1 4 . 1 1 29 29 SER HA H 29 4.410 4.410 4.704 -0.294 25449 1700 1 4 . 1 1 29 29 SER C C 29 175.600 175.600 175.361 0.239 25449 1701 1 4 . 1 1 29 29 SER CA C 29 61.300 61.300 59.043 2.257 25449 1702 1 4 . 1 1 29 29 SER CB C 29 62.200 62.200 63.181 -0.981 25449 1703 1 4 . 1 1 29 29 SER H H 29 8.880 8.880 7.740 1.140 25449 1704 1 4 . 1 1 30 30 SER N N 30 116.200 116.200 117.030 -0.830 25449 1705 1 4 . 1 1 30 30 SER HA H 30 3.940 3.940 4.313 -0.373 25449 1706 1 4 . 1 1 30 30 SER C C 30 174.900 174.900 175.387 -0.487 25449 1707 1 4 . 1 1 30 30 SER CA C 30 60.400 60.400 60.787 -0.387 25449 1708 1 4 . 1 1 30 30 SER CB C 30 62.400 62.400 63.320 -0.920 25449 1709 1 4 . 1 1 30 30 SER H H 30 7.270 7.270 8.174 -0.904 25449 1710 1 4 . 1 1 31 31 PHE N N 31 115.600 115.600 121.591 -5.991 25449 1711 1 4 . 1 1 31 31 PHE HA H 31 4.280 4.280 4.616 -0.336 25449 1712 1 4 . 1 1 31 31 PHE C C 31 174.100 174.100 176.232 -2.132 25449 1713 1 4 . 1 1 31 31 PHE CA C 31 58.900 58.900 58.889 0.011 25449 1714 1 4 . 1 1 31 31 PHE CB C 31 39.300 39.300 40.306 -1.006 25449 1715 1 4 . 1 1 31 31 PHE H H 31 6.980 6.980 7.931 -0.951 25449 1716 1 4 . 1 1 32 32 GLY N N 32 104.900 104.900 107.404 -2.504 25449 1717 1 4 . 1 1 32 32 GLY C C 32 171.600 171.600 172.520 -0.920 25449 1718 1 4 . 1 1 32 32 GLY CA C 32 44.300 44.300 44.601 -0.301 25449 1719 1 4 . 1 1 32 32 GLY H H 32 7.300 7.300 7.592 -0.292 25449 1720 1 4 . 1 1 33 33 ASP N N 33 116.100 116.100 125.955 -9.855 25449 1721 1 4 . 1 1 33 33 ASP HA H 33 4.510 4.510 4.471 0.039 25449 1722 1 4 . 1 1 33 33 ASP C C 33 176.800 176.800 174.866 1.934 25449 1723 1 4 . 1 1 33 33 ASP CA C 33 55.400 55.400 55.887 -0.487 25449 1724 1 4 . 1 1 33 33 ASP CB C 33 40.600 40.600 42.038 -1.438 25449 1725 1 4 . 1 1 33 33 ASP H H 33 8.120 8.120 8.490 -0.370 25449 1726 1 4 . 1 1 34 34 ILE N N 34 126.400 126.400 119.297 7.103 25449 1727 1 4 . 1 1 34 34 ILE HA H 34 3.850 3.850 4.032 -0.182 25449 1728 1 4 . 1 1 34 34 ILE C C 34 176.200 176.200 176.070 0.130 25449 1729 1 4 . 1 1 34 34 ILE CA C 34 60.200 60.200 58.315 1.885 25449 1730 1 4 . 1 1 34 34 ILE CB C 34 39.900 39.900 39.056 0.844 25449 1731 1 4 . 1 1 34 34 ILE H H 34 8.670 8.670 7.830 0.840 25449 1732 1 4 . 1 1 35 35 ARG N N 35 128.900 128.900 128.001 0.899 25449 1733 1 4 . 1 1 35 35 ARG HA H 35 4.160 4.160 4.101 0.059 25449 1734 1 4 . 1 1 35 35 ARG C C 35 175.600 175.600 176.220 -0.620 25449 1735 1 4 . 1 1 35 35 ARG CA C 35 57.500 57.500 58.430 -0.930 25449 1736 1 4 . 1 1 35 35 ARG CB C 35 31.700 31.700 30.868 0.832 25449 1737 1 4 . 1 1 35 35 ARG H H 35 9.320 9.320 8.581 0.739 25449 1738 1 4 . 1 1 36 36 ASN N N 36 114.300 114.300 114.959 -0.659 25449 1739 1 4 . 1 1 36 36 ASN HA H 36 4.710 4.710 4.814 -0.104 25449 1740 1 4 . 1 1 36 36 ASN C C 36 172.000 172.000 173.045 -1.045 25449 1741 1 4 . 1 1 36 36 ASN CA C 36 53.500 53.500 53.554 -0.054 25449 1742 1 4 . 1 1 36 36 ASN CB C 36 42.600 42.600 40.717 1.883 25449 1743 1 4 . 1 1 36 36 ASN H H 36 7.620 7.620 8.070 -0.450 25449 1744 1 4 . 1 1 37 37 ILE N N 37 122.700 122.700 123.292 -0.592 25449 1745 1 4 . 1 1 37 37 ILE HA H 37 4.770 4.770 4.427 0.343 25449 1746 1 4 . 1 1 37 37 ILE C C 37 173.300 173.300 174.582 -1.282 25449 1747 1 4 . 1 1 37 37 ILE CA C 37 60.600 60.600 60.687 -0.087 25449 1748 1 4 . 1 1 37 37 ILE CB C 37 41.200 41.200 39.568 1.632 25449 1749 1 4 . 1 1 37 37 ILE H H 37 8.030 8.030 8.632 -0.602 25449 1750 1 4 . 1 1 38 38 GLU N N 38 126.700 126.700 128.413 -1.713 25449 1751 1 4 . 1 1 38 38 GLU HA H 38 4.660 4.660 4.672 -0.012 25449 1752 1 4 . 1 1 38 38 GLU C C 38 174.800 174.800 174.260 0.540 25449 1753 1 4 . 1 1 38 38 GLU CA C 38 54.400 54.400 55.308 -0.908 25449 1754 1 4 . 1 1 38 38 GLU CB C 38 33.400 33.400 31.205 2.195 25449 1755 1 4 . 1 1 38 38 GLU H H 38 8.870 8.870 8.522 0.348 25449 1756 1 4 . 1 1 39 39 VAL N N 39 126.400 126.400 127.073 -0.673 25449 1757 1 4 . 1 1 39 39 VAL CA C 39 58.700 58.700 58.868 -0.168 25449 1758 1 4 . 1 1 39 39 VAL CB C 39 32.600 32.600 33.094 -0.494 25449 1759 1 4 . 1 1 39 39 VAL H H 39 8.970 8.970 8.409 0.561 25449 1760 1 4 . 1 1 40 40 PRO HA H 40 4.230 4.230 4.366 -0.136 25449 1761 1 4 . 1 1 40 40 PRO C C 40 176.300 176.300 175.383 0.917 25449 1762 1 4 . 1 1 40 40 PRO CA C 40 63.300 63.300 63.025 0.275 25449 1763 1 4 . 1 1 40 40 PRO CB C 40 32.500 32.500 31.774 0.726 25449 1764 1 4 . 1 1 41 41 LEU N N 41 120.700 120.700 125.220 -4.520 25449 1765 1 4 . 1 1 41 41 LEU HA H 41 4.520 4.520 4.522 -0.002 25449 1766 1 4 . 1 1 41 41 LEU C C 41 177.900 177.900 176.637 1.263 25449 1767 1 4 . 1 1 41 41 LEU CA C 41 53.100 53.100 52.709 0.391 25449 1768 1 4 . 1 1 41 41 LEU CB C 41 44.300 44.300 42.151 2.149 25449 1769 1 4 . 1 1 41 41 LEU H H 41 8.520 8.520 8.269 0.251 25449 1770 1 4 . 1 1 42 42 ASN N N 42 121.400 121.400 124.057 -2.657 25449 1771 1 4 . 1 1 42 42 ASN HA H 42 4.560 4.560 4.636 -0.076 25449 1772 1 4 . 1 1 42 42 ASN C C 42 176.700 176.700 176.362 0.338 25449 1773 1 4 . 1 1 42 42 ASN CA C 42 52.900 52.900 53.629 -0.729 25449 1774 1 4 . 1 1 42 42 ASN CB C 42 39.000 39.000 39.717 -0.717 25449 1775 1 4 . 1 1 42 42 ASN H H 42 8.740 8.740 8.477 0.263 25449 1776 1 4 . 1 1 43 43 MET N N 43 125.500 125.500 123.276 2.224 25449 1777 1 4 . 1 1 43 43 MET HA H 43 4.210 4.210 4.362 -0.151 25449 1778 1 4 . 1 1 43 43 MET C C 43 177.200 177.200 177.112 0.088 25449 1779 1 4 . 1 1 43 43 MET CA C 43 57.100 57.100 56.616 0.484 25449 1780 1 4 . 1 1 43 43 MET CB C 43 31.600 31.600 32.198 -0.598 25449 1781 1 4 . 1 1 43 43 MET H H 43 9.080 9.080 8.848 0.232 25449 1782 1 4 . 1 1 44 44 THR N N 44 114.400 114.400 113.374 1.026 25449 1783 1 4 . 1 1 44 44 THR HA H 44 4.160 4.160 4.277 -0.117 25449 1784 1 4 . 1 1 44 44 THR C C 44 175.900 175.900 175.733 0.167 25449 1785 1 4 . 1 1 44 44 THR CA C 44 65.200 65.200 64.897 0.303 25449 1786 1 4 . 1 1 44 44 THR CB C 44 68.700 68.700 69.406 -0.706 25449 1787 1 4 . 1 1 44 44 THR H H 44 8.590 8.590 7.817 0.773 25449 1788 1 4 . 1 1 45 45 THR N N 45 110.300 110.300 113.985 -3.685 25449 1789 1 4 . 1 1 45 45 THR HA H 45 4.160 4.160 4.390 -0.230 25449 1790 1 4 . 1 1 45 45 THR C C 45 175.500 175.500 173.561 1.939 25449 1791 1 4 . 1 1 45 45 THR CA C 45 62.000 62.000 61.365 0.635 25449 1792 1 4 . 1 1 45 45 THR CB C 45 70.000 70.000 69.753 0.247 25449 1793 1 4 . 1 1 45 45 THR H H 45 7.610 7.610 7.892 -0.282 25449 1794 1 4 . 1 1 46 46 LYS N N 46 115.700 115.700 122.447 -6.747 25449 1795 1 4 . 1 1 46 46 LYS HA H 46 3.720 3.720 3.995 -0.275 25449 1796 1 4 . 1 1 46 46 LYS C C 46 174.600 174.600 175.219 -0.619 25449 1797 1 4 . 1 1 46 46 LYS CA C 46 57.600 57.600 57.542 0.058 25449 1798 1 4 . 1 1 46 46 LYS CB C 46 28.900 28.900 30.887 -1.987 25449 1799 1 4 . 1 1 46 46 LYS H H 46 8.460 8.460 7.813 0.647 25449 1800 1 4 . 1 1 47 47 LYS N N 47 117.100 117.100 121.594 -4.494 25449 1801 1 4 . 1 1 47 47 LYS HA H 47 4.680 4.680 4.629 0.051 25449 1802 1 4 . 1 1 47 47 LYS C C 47 176.300 176.300 175.808 0.492 25449 1803 1 4 . 1 1 47 47 LYS CA C 47 54.000 54.000 54.243 -0.243 25449 1804 1 4 . 1 1 47 47 LYS CB C 47 35.100 35.100 34.459 0.641 25449 1805 1 4 . 1 1 47 47 LYS H H 47 7.610 7.610 7.862 -0.252 25449 1806 1 4 . 1 1 48 48 ASN N N 48 117.700 117.700 119.852 -2.152 25449 1807 1 4 . 1 1 48 48 ASN HA H 48 4.700 4.700 4.672 0.028 25449 1808 1 4 . 1 1 48 48 ASN C C 48 174.000 174.000 175.689 -1.689 25449 1809 1 4 . 1 1 48 48 ASN CA C 48 53.600 53.600 52.349 1.251 25449 1810 1 4 . 1 1 48 48 ASN CB C 48 37.700 37.700 39.408 -1.708 25449 1811 1 4 . 1 1 48 48 ASN H H 48 8.740 8.740 8.824 -0.084 25449 1812 1 4 . 1 1 49 49 ARG N N 49 116.800 116.800 117.168 -0.368 25449 1813 1 4 . 1 1 49 49 ARG HA H 49 4.350 4.350 4.014 0.336 25449 1814 1 4 . 1 1 49 49 ARG C C 49 177.500 177.500 176.488 1.012 25449 1815 1 4 . 1 1 49 49 ARG CA C 49 55.600 55.600 56.401 -0.801 25449 1816 1 4 . 1 1 49 49 ARG CB C 49 31.600 31.600 27.095 4.505 25449 1817 1 4 . 1 1 49 49 ARG H H 49 8.530 8.530 8.481 0.049 25449 1818 1 4 . 1 1 50 50 GLY N N 50 108.300 108.300 106.466 1.834 25449 1819 1 4 . 1 1 50 50 GLY C C 50 173.500 173.500 173.471 0.029 25449 1820 1 4 . 1 1 50 50 GLY CA C 50 45.800 45.800 45.457 0.343 25449 1821 1 4 . 1 1 50 50 GLY H H 50 8.900 8.900 8.716 0.184 25449 1822 1 4 . 1 1 51 51 PHE N N 51 113.900 113.900 116.720 -2.820 25449 1823 1 4 . 1 1 51 51 PHE HA H 51 5.470 5.470 4.812 0.658 25449 1824 1 4 . 1 1 51 51 PHE C C 51 172.000 172.000 172.202 -0.202 25449 1825 1 4 . 1 1 51 51 PHE CA C 51 55.000 55.000 56.022 -1.022 25449 1826 1 4 . 1 1 51 51 PHE CB C 51 42.700 42.700 40.610 2.090 25449 1827 1 4 . 1 1 51 51 PHE H H 51 6.910 6.910 7.385 -0.475 25449 1828 1 4 . 1 1 52 52 ALA N N 52 120.500 120.500 125.449 -4.949 25449 1829 1 4 . 1 1 52 52 ALA HA H 52 4.630 4.630 4.060 0.570 25449 1830 1 4 . 1 1 52 52 ALA C C 52 173.900 173.900 174.636 -0.736 25449 1831 1 4 . 1 1 52 52 ALA CA C 52 50.200 50.200 50.972 -0.772 25449 1832 1 4 . 1 1 52 52 ALA CB C 52 25.100 25.100 21.835 3.265 25449 1833 1 4 . 1 1 52 52 ALA H H 52 8.810 8.810 7.734 1.076 25449 1834 1 4 . 1 1 53 53 PHE N N 53 115.000 115.000 119.425 -4.425 25449 1835 1 4 . 1 1 53 53 PHE HA H 53 5.660 5.660 4.808 0.852 25449 1836 1 4 . 1 1 53 53 PHE C C 53 175.600 175.600 174.803 0.797 25449 1837 1 4 . 1 1 53 53 PHE CA C 53 56.200 56.200 55.787 0.413 25449 1838 1 4 . 1 1 53 53 PHE CB C 53 42.400 42.400 41.409 0.991 25449 1839 1 4 . 1 1 53 53 PHE H H 53 8.730 8.730 7.912 0.818 25449 1840 1 4 . 1 1 54 54 VAL N N 54 122.300 122.300 121.521 0.779 25449 1841 1 4 . 1 1 54 54 VAL HA H 54 4.100 4.100 4.246 -0.146 25449 1842 1 4 . 1 1 54 54 VAL C C 54 173.000 173.000 174.207 -1.207 25449 1843 1 4 . 1 1 54 54 VAL CA C 54 61.700 61.700 61.575 0.125 25449 1844 1 4 . 1 1 54 54 VAL CB C 54 34.400 34.400 34.457 -0.057 25449 1845 1 4 . 1 1 54 54 VAL H H 54 9.060 9.060 8.381 0.679 25449 1846 1 4 . 1 1 55 55 GLU N N 55 127.300 127.300 126.674 0.626 25449 1847 1 4 . 1 1 55 55 GLU HA H 55 5.160 5.160 4.743 0.417 25449 1848 1 4 . 1 1 55 55 GLU C C 55 175.900 175.900 175.592 0.308 25449 1849 1 4 . 1 1 55 55 GLU CA C 55 54.000 54.000 54.785 -0.785 25449 1850 1 4 . 1 1 55 55 GLU CB C 55 31.700 31.700 31.638 0.062 25449 1851 1 4 . 1 1 55 55 GLU H H 55 8.860 8.860 8.248 0.612 25449 1852 1 4 . 1 1 56 56 TYR N N 56 127.500 127.500 123.196 4.304 25449 1853 1 4 . 1 1 56 56 TYR HA H 56 4.520 4.520 4.507 0.013 25449 1854 1 4 . 1 1 56 56 TYR C C 56 175.000 175.000 176.539 -1.539 25449 1855 1 4 . 1 1 56 56 TYR CA C 56 59.700 59.700 59.044 0.657 25449 1856 1 4 . 1 1 56 56 TYR CB C 56 40.200 40.200 40.621 -0.421 25449 1857 1 4 . 1 1 56 56 TYR H H 56 9.470 9.470 8.232 1.238 25449 1858 1 4 . 1 1 57 57 VAL N N 57 119.200 119.200 120.121 -0.921 25449 1859 1 4 . 1 1 57 57 VAL HA H 57 3.570 3.570 3.975 -0.405 25449 1860 1 4 . 1 1 57 57 VAL C C 57 177.000 177.000 175.396 1.604 25449 1861 1 4 . 1 1 57 57 VAL CA C 57 66.300 66.300 64.774 1.526 25449 1862 1 4 . 1 1 57 57 VAL CB C 57 32.000 32.000 32.375 -0.375 25449 1863 1 4 . 1 1 57 57 VAL H H 57 7.800 7.800 7.981 -0.181 25449 1864 1 4 . 1 1 58 58 GLU N N 58 118.500 118.500 118.163 0.337 25449 1865 1 4 . 1 1 58 58 GLU HA H 58 4.780 4.780 4.583 0.197 25449 1866 1 4 . 1 1 58 58 GLU C C 58 177.500 177.500 176.808 0.692 25449 1867 1 4 . 1 1 58 58 GLU CA C 58 53.800 53.800 55.069 -1.269 25449 1868 1 4 . 1 1 58 58 GLU CB C 58 30.500 30.500 30.672 -0.173 25449 1869 1 4 . 1 1 58 58 GLU H H 58 9.530 9.530 8.035 1.495 25449 1870 1 4 . 1 1 59 59 VAL N N 59 125.200 125.200 125.473 -0.273 25449 1871 1 4 . 1 1 59 59 VAL HA H 59 3.530 3.530 3.806 -0.276 25449 1872 1 4 . 1 1 59 59 VAL C C 59 177.600 177.600 176.577 1.023 25449 1873 1 4 . 1 1 59 59 VAL CA C 59 66.100 66.100 65.238 0.862 25449 1874 1 4 . 1 1 59 59 VAL CB C 59 31.700 31.700 31.770 -0.070 25449 1875 1 4 . 1 1 59 59 VAL H H 59 8.650 8.650 8.799 -0.149 25449 1876 1 4 . 1 1 60 60 ASP N N 60 118.500 118.500 120.815 -2.315 25449 1877 1 4 . 1 1 60 60 ASP HA H 60 4.220 4.220 4.455 -0.235 25449 1878 1 4 . 1 1 60 60 ASP C C 60 178.300 178.300 177.876 0.424 25449 1879 1 4 . 1 1 60 60 ASP CA C 60 57.600 57.600 57.810 -0.211 25449 1880 1 4 . 1 1 60 60 ASP CB C 60 40.500 40.500 40.147 0.353 25449 1881 1 4 . 1 1 60 60 ASP H H 60 8.970 8.970 8.581 0.389 25449 1882 1 4 . 1 1 61 61 ASP N N 61 119.900 119.900 120.367 -0.467 25449 1883 1 4 . 1 1 61 61 ASP HA H 61 4.360 4.360 4.546 -0.186 25449 1884 1 4 . 1 1 61 61 ASP C C 61 176.800 176.800 178.039 -1.239 25449 1885 1 4 . 1 1 61 61 ASP CA C 61 56.900 56.900 56.941 -0.041 25449 1886 1 4 . 1 1 61 61 ASP CB C 61 39.800 39.800 40.627 -0.827 25449 1887 1 4 . 1 1 61 61 ASP H H 61 6.920 6.920 8.418 -1.498 25449 1888 1 4 . 1 1 62 62 ALA N N 62 122.700 122.700 123.337 -0.637 25449 1889 1 4 . 1 1 62 62 ALA HA H 62 3.380 3.380 3.157 0.223 25449 1890 1 4 . 1 1 62 62 ALA C C 62 171.600 171.600 178.904 -7.304 25449 1891 1 4 . 1 1 62 62 ALA CA C 62 55.100 55.100 55.298 -0.198 25449 1892 1 4 . 1 1 62 62 ALA CB C 62 18.200 18.200 18.293 -0.092 25449 1893 1 4 . 1 1 62 62 ALA H H 62 6.910 6.910 7.698 -0.788 25449 1894 1 4 . 1 1 63 63 LYS N N 63 116.200 116.200 118.729 -2.529 25449 1895 1 4 . 1 1 63 63 LYS HA H 63 4.190 4.190 3.905 0.285 25449 1896 1 4 . 1 1 63 63 LYS C C 63 179.200 179.200 179.139 0.061 25449 1897 1 4 . 1 1 63 63 LYS CA C 63 59.300 59.300 59.812 -0.512 25449 1898 1 4 . 1 1 63 63 LYS CB C 63 32.600 32.600 32.297 0.303 25449 1899 1 4 . 1 1 63 63 LYS H H 63 8.020 8.020 7.614 0.406 25449 1900 1 4 . 1 1 64 64 HIS N N 64 117.400 117.400 117.163 0.237 25449 1901 1 4 . 1 1 64 64 HIS HA H 64 4.310 4.310 4.429 -0.119 25449 1902 1 4 . 1 1 64 64 HIS CA C 64 58.000 58.000 58.502 -0.502 25449 1903 1 4 . 1 1 64 64 HIS CB C 64 29.100 29.100 29.973 -0.873 25449 1904 1 4 . 1 1 64 64 HIS H H 64 7.460 7.460 7.492 -0.032 25449 1905 1 4 . 1 1 65 65 ALA N N 65 123.700 123.700 121.419 2.281 25449 1906 1 4 . 1 1 65 65 ALA HA H 65 2.170 2.170 3.882 -1.712 25449 1907 1 4 . 1 1 65 65 ALA C C 65 178.700 178.700 179.875 -1.175 25449 1908 1 4 . 1 1 65 65 ALA CA C 65 54.800 54.800 54.635 0.165 25449 1909 1 4 . 1 1 65 65 ALA CB C 65 19.400 19.400 18.405 0.994 25449 1910 1 4 . 1 1 65 65 ALA H H 65 8.190 8.190 7.742 0.448 25449 1911 1 4 . 1 1 66 66 LEU N N 66 119.800 119.800 119.772 0.028 25449 1912 1 4 . 1 1 66 66 LEU HA H 66 3.430 3.430 3.974 -0.544 25449 1913 1 4 . 1 1 66 66 LEU C C 66 178.700 178.700 178.946 -0.246 25449 1914 1 4 . 1 1 66 66 LEU CA C 66 59.700 59.700 57.667 2.033 25449 1915 1 4 . 1 1 66 66 LEU CB C 66 41.100 41.100 41.564 -0.464 25449 1916 1 4 . 1 1 66 66 LEU H H 66 8.340 8.340 7.616 0.724 25449 1917 1 4 . 1 1 67 67 TYR N N 67 116.200 116.200 115.001 1.199 25449 1918 1 4 . 1 1 67 67 TYR HA H 67 4.010 4.010 4.297 -0.287 25449 1919 1 4 . 1 1 67 67 TYR C C 67 177.700 177.700 177.072 0.628 25449 1920 1 4 . 1 1 67 67 TYR CA C 67 60.500 60.500 61.287 -0.787 25449 1921 1 4 . 1 1 67 67 TYR CB C 67 38.100 38.100 38.082 0.018 25449 1922 1 4 . 1 1 67 67 TYR H H 67 7.760 7.760 7.682 0.078 25449 1923 1 4 . 1 1 68 68 ASN N N 68 113.900 113.900 115.490 -1.590 25449 1924 1 4 . 1 1 68 68 ASN HA H 68 4.430 4.430 4.730 -0.300 25449 1925 1 4 . 1 1 68 68 ASN C C 68 176.400 176.400 175.499 0.901 25449 1926 1 4 . 1 1 68 68 ASN CA C 68 55.600 55.600 53.579 2.021 25449 1927 1 4 . 1 1 68 68 ASN CB C 68 41.400 41.400 39.106 2.293 25449 1928 1 4 . 1 1 68 68 ASN H H 68 7.480 7.480 7.753 -0.273 25449 1929 1 4 . 1 1 69 69 MET N N 69 114.900 114.900 116.961 -2.061 25449 1930 1 4 . 1 1 69 69 MET HA H 69 4.760 4.760 4.446 0.314 25449 1931 1 4 . 1 1 69 69 MET C C 69 177.000 177.000 177.131 -0.131 25449 1932 1 4 . 1 1 69 69 MET CA C 69 53.500 53.500 56.142 -2.642 25449 1933 1 4 . 1 1 69 69 MET CB C 69 31.100 31.100 33.219 -2.119 25449 1934 1 4 . 1 1 69 69 MET H H 69 8.310 8.310 7.487 0.823 25449 1935 1 4 . 1 1 70 70 ASN N N 70 117.700 117.700 120.466 -2.766 25449 1936 1 4 . 1 1 70 70 ASN HA H 70 4.370 4.370 4.401 -0.031 25449 1937 1 4 . 1 1 70 70 ASN C C 70 176.400 176.400 175.778 0.622 25449 1938 1 4 . 1 1 70 70 ASN CA C 70 56.100 56.100 55.299 0.801 25449 1939 1 4 . 1 1 70 70 ASN CB C 70 38.700 38.700 37.543 1.157 25449 1940 1 4 . 1 1 70 70 ASN H H 70 7.660 7.660 8.054 -0.394 25449 1941 1 4 . 1 1 71 71 ASN N N 71 121.500 121.500 117.050 4.450 25449 1942 1 4 . 1 1 71 71 ASN HA H 71 4.510 4.510 4.684 -0.174 25449 1943 1 4 . 1 1 71 71 ASN C C 71 173.300 173.300 175.038 -1.738 25449 1944 1 4 . 1 1 71 71 ASN CA C 71 55.800 55.800 52.892 2.908 25449 1945 1 4 . 1 1 71 71 ASN CB C 71 38.200 38.200 38.299 -0.099 25449 1946 1 4 . 1 1 71 71 ASN H H 71 8.600 8.600 8.406 0.194 25449 1947 1 4 . 1 1 72 72 PHE N N 72 122.300 122.300 121.867 0.433 25449 1948 1 4 . 1 1 72 72 PHE HA H 72 4.190 4.190 4.594 -0.404 25449 1949 1 4 . 1 1 72 72 PHE C C 72 174.100 174.100 174.068 0.032 25449 1950 1 4 . 1 1 72 72 PHE CA C 72 58.700 58.700 56.958 1.742 25449 1951 1 4 . 1 1 72 72 PHE CB C 72 41.300 41.300 41.760 -0.460 25449 1952 1 4 . 1 1 72 72 PHE H H 72 7.870 7.870 7.550 0.320 25449 1953 1 4 . 1 1 73 73 GLU N N 73 126.100 126.100 126.194 -0.094 25449 1954 1 4 . 1 1 73 73 GLU HA H 73 4.230 4.230 4.355 -0.125 25449 1955 1 4 . 1 1 73 73 GLU C C 73 173.000 173.000 173.986 -0.986 25449 1956 1 4 . 1 1 73 73 GLU CA C 73 55.600 55.600 54.651 0.949 25449 1957 1 4 . 1 1 73 73 GLU CB C 73 30.300 30.300 32.428 -2.128 25449 1958 1 4 . 1 1 73 73 GLU H H 73 7.690 7.690 7.502 0.188 25449 1959 1 4 . 1 1 74 74 LEU N N 74 128.900 128.900 126.933 1.967 25449 1960 1 4 . 1 1 74 74 LEU HA H 74 4.520 4.520 4.233 0.287 25449 1961 1 4 . 1 1 74 74 LEU C C 74 175.500 175.500 175.762 -0.262 25449 1962 1 4 . 1 1 74 74 LEU CA C 74 53.300 53.300 54.482 -1.182 25449 1963 1 4 . 1 1 74 74 LEU CB C 74 44.600 44.600 42.864 1.736 25449 1964 1 4 . 1 1 74 74 LEU H H 74 8.620 8.620 8.170 0.450 25449 1965 1 4 . 1 1 75 75 ASN N N 75 126.800 126.800 122.195 4.605 25449 1966 1 4 . 1 1 75 75 ASN HA H 75 4.210 4.210 4.492 -0.282 25449 1967 1 4 . 1 1 75 75 ASN C C 75 175.600 175.600 175.690 -0.090 25449 1968 1 4 . 1 1 75 75 ASN CA C 75 53.900 53.900 53.913 -0.013 25449 1969 1 4 . 1 1 75 75 ASN CB C 75 36.900 36.900 37.258 -0.358 25449 1970 1 4 . 1 1 75 75 ASN H H 75 9.520 9.520 8.957 0.563 25449 1971 1 4 . 1 1 76 76 GLY N N 76 102.300 102.300 103.955 -1.655 25449 1972 1 4 . 1 1 76 76 GLY C C 76 173.600 173.600 173.239 0.361 25449 1973 1 4 . 1 1 76 76 GLY CA C 76 45.300 45.300 45.461 -0.161 25449 1974 1 4 . 1 1 76 76 GLY H H 76 8.500 8.500 8.362 0.138 25449 1975 1 4 . 1 1 77 77 LYS N N 77 120.800 120.800 119.093 1.707 25449 1976 1 4 . 1 1 77 77 LYS HA H 77 4.570 4.570 4.415 0.155 25449 1977 1 4 . 1 1 77 77 LYS C C 77 175.100 175.100 175.254 -0.154 25449 1978 1 4 . 1 1 77 77 LYS CA C 77 54.200 54.200 54.737 -0.537 25449 1979 1 4 . 1 1 77 77 LYS CB C 77 34.500 34.500 34.802 -0.302 25449 1980 1 4 . 1 1 77 77 LYS H H 77 7.580 7.580 7.663 -0.083 25449 1981 1 4 . 1 1 78 78 ARG N N 78 123.300 123.300 124.474 -1.174 25449 1982 1 4 . 1 1 78 78 ARG HA H 78 4.480 4.480 4.307 0.173 25449 1983 1 4 . 1 1 78 78 ARG C C 78 176.600 176.600 175.742 0.858 25449 1984 1 4 . 1 1 78 78 ARG CA C 78 55.300 55.300 55.350 -0.050 25449 1985 1 4 . 1 1 78 78 ARG CB C 78 30.300 30.300 30.239 0.061 25449 1986 1 4 . 1 1 78 78 ARG H H 78 8.580 8.580 8.497 0.083 25449 1987 1 4 . 1 1 79 79 ILE N N 79 120.100 120.100 122.453 -2.353 25449 1988 1 4 . 1 1 79 79 ILE HA H 79 4.700 4.700 4.415 0.285 25449 1989 1 4 . 1 1 79 79 ILE C C 79 175.200 175.200 174.223 0.977 25449 1990 1 4 . 1 1 79 79 ILE CA C 79 60.000 60.000 59.207 0.793 25449 1991 1 4 . 1 1 79 79 ILE CB C 79 39.400 39.400 40.139 -0.739 25449 1992 1 4 . 1 1 79 79 ILE H H 79 8.450 8.450 8.409 0.041 25449 1993 1 4 . 1 1 80 80 HIS N N 80 119.900 119.900 124.761 -4.861 25449 1994 1 4 . 1 1 80 80 HIS HA H 80 5.190 5.190 4.859 0.331 25449 1995 1 4 . 1 1 80 80 HIS C C 80 173.600 173.600 173.881 -0.281 25449 1996 1 4 . 1 1 80 80 HIS CA C 80 53.800 53.800 55.549 -1.749 25449 1997 1 4 . 1 1 80 80 HIS CB C 80 31.300 31.300 32.240 -0.941 25449 1998 1 4 . 1 1 80 80 HIS H H 80 8.580 8.580 8.155 0.425 25449 1999 1 4 . 1 1 81 81 VAL N N 81 123.800 123.800 125.656 -1.856 25449 2000 1 4 . 1 1 81 81 VAL HA H 81 5.280 5.280 5.000 0.280 25449 2001 1 4 . 1 1 81 81 VAL C C 81 173.600 173.600 174.947 -1.347 25449 2002 1 4 . 1 1 81 81 VAL CA C 81 60.200 60.200 60.896 -0.696 25449 2003 1 4 . 1 1 81 81 VAL CB C 81 35.000 35.000 33.587 1.413 25449 2004 1 4 . 1 1 81 81 VAL H H 81 8.650 8.650 8.361 0.289 25449 2005 1 4 . 1 1 82 82 ASN N N 82 121.100 121.100 123.565 -2.465 25449 2006 1 4 . 1 1 82 82 ASN HA H 82 4.750 4.750 5.004 -0.254 25449 2007 1 4 . 1 1 82 82 ASN C C 82 174.000 174.000 172.963 1.037 25449 2008 1 4 . 1 1 82 82 ASN CA C 82 51.900 51.900 51.661 0.239 25449 2009 1 4 . 1 1 82 82 ASN CB C 82 42.900 42.900 41.781 1.119 25449 2010 1 4 . 1 1 82 82 ASN H H 82 8.890 8.890 8.471 0.419 25449 2011 1 4 . 1 1 83 83 TYR N N 83 120.400 120.400 119.883 0.517 25449 2012 1 4 . 1 1 83 83 TYR HA H 83 4.800 4.800 4.746 0.054 25449 2013 1 4 . 1 1 83 83 TYR C C 83 177.100 177.100 174.732 2.368 25449 2014 1 4 . 1 1 83 83 TYR CA C 83 59.400 59.400 58.439 0.961 25449 2015 1 4 . 1 1 83 83 TYR CB C 83 38.700 38.700 39.794 -1.094 25449 2016 1 4 . 1 1 83 83 TYR H H 83 8.480 8.480 8.691 -0.211 25449 2017 1 4 . 1 1 84 84 SER N N 84 118.000 118.000 117.426 0.574 25449 2018 1 4 . 1 1 84 84 SER HA H 84 4.520 4.520 4.311 0.209 25449 2019 1 4 . 1 1 84 84 SER C C 84 174.100 174.100 172.857 1.243 25449 2020 1 4 . 1 1 84 84 SER CA C 84 57.700 57.700 56.882 0.818 25449 2021 1 4 . 1 1 84 84 SER CB C 84 64.300 64.300 64.897 -0.597 25449 2022 1 4 . 1 1 84 84 SER H H 84 9.040 9.040 7.513 1.527 25449 2023 1 4 . 1 1 85 85 LYS N N 85 125.300 125.300 121.340 3.960 25449 2024 1 4 . 1 1 85 85 LYS HA H 85 4.440 4.440 4.350 0.090 25449 2025 1 4 . 1 1 85 85 LYS C C 85 175.600 175.600 174.981 0.619 25449 2026 1 4 . 1 1 85 85 LYS CA C 85 56.300 56.300 55.481 0.819 25449 2027 1 4 . 1 1 85 85 LYS CB C 85 33.700 33.700 32.400 1.300 25449 2028 1 4 . 1 1 85 85 LYS H H 85 8.410 8.410 8.008 0.402 25449 2029 1 5 . 1 1 -1 -1 SER N N -1 115.600 115.600 114.643 0.957 25449 2030 1 5 . 1 1 -1 -1 SER HA H -1 4.410 4.410 4.752 -0.342 25449 2031 1 5 . 1 1 -1 -1 SER C C -1 172.000 172.000 172.949 -0.949 25449 2032 1 5 . 1 1 -1 -1 SER CA C -1 58.200 58.200 57.614 0.586 25449 2033 1 5 . 1 1 -1 -1 SER CB C -1 63.900 63.900 65.059 -1.159 25449 2034 1 5 . 1 1 -1 -1 SER H H -1 8.670 8.670 8.746 -0.076 25449 2035 1 5 . 1 1 0 0 HIS N N 0 121.200 121.200 119.722 1.478 25449 2036 1 5 . 1 1 0 0 HIS HA H 0 4.590 4.590 4.553 0.037 25449 2037 1 5 . 1 1 0 0 HIS C C 0 174.800 174.800 174.142 0.658 25449 2038 1 5 . 1 1 0 0 HIS CA C 0 56.100 56.100 56.575 -0.475 25449 2039 1 5 . 1 1 0 0 HIS CB C 0 29.900 29.900 30.963 -1.063 25449 2040 1 5 . 1 1 0 0 HIS H H 0 8.730 8.730 7.824 0.906 25449 2041 1 5 . 1 1 1 1 MET N N 1 121.800 121.800 122.462 -0.662 25449 2042 1 5 . 1 1 1 1 MET HA H 1 4.370 4.370 4.791 -0.421 25449 2043 1 5 . 1 1 1 1 MET C C 1 176.300 176.300 174.888 1.412 25449 2044 1 5 . 1 1 1 1 MET CA C 1 55.700 55.700 55.175 0.526 25449 2045 1 5 . 1 1 1 1 MET CB C 1 32.800 32.800 34.032 -1.232 25449 2046 1 5 . 1 1 1 1 MET H H 1 8.450 8.450 8.491 -0.041 25449 2047 1 5 . 1 1 2 2 SER N N 2 116.700 116.700 119.292 -2.592 25449 2048 1 5 . 1 1 2 2 SER HA H 2 4.370 4.370 4.744 -0.374 25449 2049 1 5 . 1 1 2 2 SER C C 2 174.200 174.200 173.110 1.090 25449 2050 1 5 . 1 1 2 2 SER CA C 2 58.400 58.400 57.984 0.416 25449 2051 1 5 . 1 1 2 2 SER CB C 2 63.800 63.800 64.652 -0.852 25449 2052 1 5 . 1 1 2 2 SER H H 2 8.410 8.410 8.345 0.064 25449 2053 1 5 . 1 1 3 3 ASP N N 3 122.100 122.100 121.544 0.556 25449 2054 1 5 . 1 1 3 3 ASP HA H 3 4.550 4.550 4.894 -0.344 25449 2055 1 5 . 1 1 3 3 ASP C C 3 176.100 176.100 174.470 1.630 25449 2056 1 5 . 1 1 3 3 ASP CA C 3 54.500 54.500 54.059 0.441 25449 2057 1 5 . 1 1 3 3 ASP CB C 3 41.200 41.200 40.519 0.681 25449 2058 1 5 . 1 1 3 3 ASP H H 3 8.340 8.340 8.476 -0.136 25449 2059 1 5 . 1 1 4 4 ASN N N 4 119.100 119.100 117.222 1.878 25449 2060 1 5 . 1 1 4 4 ASN HA H 4 4.580 4.580 4.874 -0.294 25449 2061 1 5 . 1 1 4 4 ASN C C 4 174.900 174.900 175.333 -0.433 25449 2062 1 5 . 1 1 4 4 ASN CA C 4 53.700 53.700 52.563 1.137 25449 2063 1 5 . 1 1 4 4 ASN CB C 4 38.900 38.900 40.237 -1.337 25449 2064 1 5 . 1 1 4 4 ASN H H 4 8.420 8.420 7.826 0.594 25449 2065 1 5 . 1 1 5 5 ASN N N 5 118.400 118.400 118.980 -0.580 25449 2066 1 5 . 1 1 5 5 ASN HA H 5 4.540 4.540 4.590 -0.050 25449 2067 1 5 . 1 1 5 5 ASN C C 5 173.900 173.900 174.258 -0.358 25449 2068 1 5 . 1 1 5 5 ASN CA C 5 53.200 53.200 53.518 -0.318 25449 2069 1 5 . 1 1 5 5 ASN CB C 5 38.700 38.700 39.008 -0.308 25449 2070 1 5 . 1 1 5 5 ASN H H 5 8.340 8.340 8.725 -0.385 25449 2071 1 5 . 1 1 6 6 ALA N N 6 122.100 122.100 119.623 2.477 25449 2072 1 5 . 1 1 6 6 ALA HA H 6 2.740 2.740 3.368 -0.628 25449 2073 1 5 . 1 1 6 6 ALA C C 6 177.000 177.000 175.427 1.573 25449 2074 1 5 . 1 1 6 6 ALA CA C 6 52.300 52.300 51.729 0.571 25449 2075 1 5 . 1 1 6 6 ALA CB C 6 20.000 20.000 18.872 1.128 25449 2076 1 5 . 1 1 6 6 ALA H H 6 7.590 7.590 7.297 0.293 25449 2077 1 5 . 1 1 7 7 THR N N 7 112.700 112.700 117.080 -4.380 25449 2078 1 5 . 1 1 7 7 THR HA H 7 4.390 4.390 4.406 -0.016 25449 2079 1 5 . 1 1 7 7 THR C C 7 171.700 171.700 175.104 -3.404 25449 2080 1 5 . 1 1 7 7 THR CA C 7 59.800 59.800 60.731 -0.931 25449 2081 1 5 . 1 1 7 7 THR CB C 7 70.600 70.600 70.218 0.382 25449 2082 1 5 . 1 1 7 7 THR H H 7 6.840 6.840 7.804 -0.964 25449 2083 1 5 . 1 1 8 8 ASP N N 8 114.600 114.600 123.477 -8.877 25449 2084 1 5 . 1 1 8 8 ASP HA H 8 4.490 4.490 4.309 0.181 25449 2085 1 5 . 1 1 8 8 ASP C C 8 174.300 174.300 174.346 -0.046 25449 2086 1 5 . 1 1 8 8 ASP CA C 8 53.500 53.500 55.674 -2.174 25449 2087 1 5 . 1 1 8 8 ASP CB C 8 39.800 39.800 39.865 -0.065 25449 2088 1 5 . 1 1 8 8 ASP H H 8 8.170 8.170 8.749 -0.579 25449 2089 1 5 . 1 1 9 9 ILE N N 9 117.800 117.800 118.392 -0.592 25449 2090 1 5 . 1 1 9 9 ILE HA H 9 4.810 4.810 4.319 0.491 25449 2091 1 5 . 1 1 9 9 ILE C C 9 174.700 174.700 174.196 0.504 25449 2092 1 5 . 1 1 9 9 ILE CA C 9 60.600 60.600 60.598 0.002 25449 2093 1 5 . 1 1 9 9 ILE CB C 9 40.300 40.300 40.050 0.250 25449 2094 1 5 . 1 1 9 9 ILE H H 9 7.890 7.890 7.472 0.418 25449 2095 1 5 . 1 1 10 10 LEU N N 10 125.300 125.300 127.627 -2.327 25449 2096 1 5 . 1 1 10 10 LEU HA H 10 4.960 4.960 4.935 0.025 25449 2097 1 5 . 1 1 10 10 LEU C C 10 176.100 176.100 175.335 0.765 25449 2098 1 5 . 1 1 10 10 LEU CA C 10 52.900 52.900 53.881 -0.981 25449 2099 1 5 . 1 1 10 10 LEU CB C 10 43.100 43.100 44.106 -1.006 25449 2100 1 5 . 1 1 10 10 LEU H H 10 9.370 9.370 8.275 1.095 25449 2101 1 5 . 1 1 11 11 PHE N N 11 124.300 124.300 127.231 -2.931 25449 2102 1 5 . 1 1 11 11 PHE HA H 11 4.670 4.670 4.813 -0.143 25449 2103 1 5 . 1 1 11 11 PHE C C 11 173.400 173.400 174.313 -0.913 25449 2104 1 5 . 1 1 11 11 PHE CA C 11 57.000 57.000 57.837 -0.837 25449 2105 1 5 . 1 1 11 11 PHE CB C 11 40.700 40.700 40.757 -0.057 25449 2106 1 5 . 1 1 11 11 PHE H H 11 9.310 9.310 8.799 0.511 25449 2107 1 5 . 1 1 12 12 VAL N N 12 128.300 128.300 126.646 1.654 25449 2108 1 5 . 1 1 12 12 VAL HA H 12 4.420 4.420 4.316 0.104 25449 2109 1 5 . 1 1 12 12 VAL C C 12 173.900 173.900 174.741 -0.841 25449 2110 1 5 . 1 1 12 12 VAL CA C 12 60.200 60.200 60.151 0.049 25449 2111 1 5 . 1 1 12 12 VAL CB C 12 33.100 33.100 34.995 -1.895 25449 2112 1 5 . 1 1 12 12 VAL H H 12 8.380 8.380 7.873 0.507 25449 2113 1 5 . 1 1 13 13 GLY N N 13 111.800 111.800 110.859 0.941 25449 2114 1 5 . 1 1 13 13 GLY C C 13 173.800 173.800 173.864 -0.064 25449 2115 1 5 . 1 1 13 13 GLY CA C 13 43.400 43.400 43.543 -0.143 25449 2116 1 5 . 1 1 13 13 GLY H H 13 9.150 9.150 8.495 0.655 25449 2117 1 5 . 1 1 14 14 GLY N N 14 107.600 107.600 107.418 0.182 25449 2118 1 5 . 1 1 14 14 GLY C C 14 175.400 175.400 174.091 1.309 25449 2119 1 5 . 1 1 14 14 GLY CA C 14 45.800 45.800 44.609 1.191 25449 2120 1 5 . 1 1 14 14 GLY H H 14 8.260 8.260 8.402 -0.142 25449 2121 1 5 . 1 1 15 15 ILE N N 15 111.100 111.100 122.043 -10.943 25449 2122 1 5 . 1 1 15 15 ILE HA H 15 4.040 4.040 4.340 -0.300 25449 2123 1 5 . 1 1 15 15 ILE C C 15 175.500 175.500 175.310 0.190 25449 2124 1 5 . 1 1 15 15 ILE CA C 15 60.500 60.500 59.094 1.406 25449 2125 1 5 . 1 1 15 15 ILE CB C 15 38.500 38.500 39.813 -1.313 25449 2126 1 5 . 1 1 15 15 ILE H H 15 6.930 6.930 7.561 -0.631 25449 2127 1 5 . 1 1 16 16 ASP N N 16 122.800 122.800 121.166 1.634 25449 2128 1 5 . 1 1 16 16 ASP HA H 16 4.580 4.580 4.533 0.047 25449 2129 1 5 . 1 1 16 16 ASP C C 16 177.200 177.200 176.765 0.435 25449 2130 1 5 . 1 1 16 16 ASP CA C 16 53.700 53.700 54.017 -0.318 25449 2131 1 5 . 1 1 16 16 ASP CB C 16 42.500 42.500 42.329 0.171 25449 2132 1 5 . 1 1 16 16 ASP H H 16 8.320 8.320 8.630 -0.310 25449 2133 1 5 . 1 1 17 17 GLU N N 17 119.600 119.600 117.784 1.816 25449 2134 1 5 . 1 1 17 17 GLU HA H 17 4.140 4.140 4.271 -0.131 25449 2135 1 5 . 1 1 17 17 GLU C C 17 176.800 176.800 175.983 0.817 25449 2136 1 5 . 1 1 17 17 GLU CA C 17 58.600 58.600 56.957 1.643 25449 2137 1 5 . 1 1 17 17 GLU CB C 17 29.800 29.800 28.885 0.915 25449 2138 1 5 . 1 1 17 17 GLU H H 17 8.830 8.830 8.723 0.107 25449 2139 1 5 . 1 1 18 18 THR N N 18 111.300 111.300 114.599 -3.299 25449 2140 1 5 . 1 1 18 18 THR HA H 18 4.250 4.250 4.550 -0.300 25449 2141 1 5 . 1 1 18 18 THR C C 18 175.200 175.200 174.436 0.764 25449 2142 1 5 . 1 1 18 18 THR CA C 18 62.600 62.600 60.858 1.742 25449 2143 1 5 . 1 1 18 18 THR CB C 18 69.600 69.600 69.359 0.241 25449 2144 1 5 . 1 1 18 18 THR H H 18 8.740 8.740 7.782 0.958 25449 2145 1 5 . 1 1 19 19 ILE N N 19 123.300 123.300 119.254 4.046 25449 2146 1 5 . 1 1 19 19 ILE HA H 19 3.880 3.880 4.301 -0.421 25449 2147 1 5 . 1 1 19 19 ILE C C 19 174.300 174.300 174.294 0.006 25449 2148 1 5 . 1 1 19 19 ILE CA C 19 59.900 59.900 58.694 1.206 25449 2149 1 5 . 1 1 19 19 ILE CB C 19 35.600 35.600 38.295 -2.695 25449 2150 1 5 . 1 1 19 19 ILE H H 19 7.220 7.220 7.393 -0.173 25449 2151 1 5 . 1 1 20 20 ASP N N 20 125.600 125.600 123.114 2.486 25449 2152 1 5 . 1 1 20 20 ASP HA H 20 4.640 4.640 4.795 -0.155 25449 2153 1 5 . 1 1 20 20 ASP C C 20 175.300 175.300 176.938 -1.638 25449 2154 1 5 . 1 1 20 20 ASP CA C 20 51.500 51.500 53.291 -1.791 25449 2155 1 5 . 1 1 20 20 ASP CB C 20 43.000 43.000 43.478 -0.478 25449 2156 1 5 . 1 1 20 20 ASP H H 20 7.790 7.790 8.292 -0.502 25449 2157 1 5 . 1 1 21 21 GLU N N 21 118.400 118.400 121.825 -3.425 25449 2158 1 5 . 1 1 21 21 GLU HA H 21 3.630 3.630 3.966 -0.336 25449 2159 1 5 . 1 1 21 21 GLU C C 21 177.900 177.900 177.973 -0.073 25449 2160 1 5 . 1 1 21 21 GLU CA C 21 60.900 60.900 59.974 0.926 25449 2161 1 5 . 1 1 21 21 GLU CB C 21 29.200 29.200 29.598 -0.398 25449 2162 1 5 . 1 1 21 21 GLU H H 21 9.220 9.220 8.859 0.361 25449 2163 1 5 . 1 1 22 22 LYS N N 22 119.700 119.700 117.432 2.268 25449 2164 1 5 . 1 1 22 22 LYS HA H 22 4.060 4.060 4.181 -0.121 25449 2165 1 5 . 1 1 22 22 LYS C C 22 178.500 178.500 178.677 -0.177 25449 2166 1 5 . 1 1 22 22 LYS CA C 22 59.300 59.300 58.952 0.348 25449 2167 1 5 . 1 1 22 22 LYS CB C 22 31.800 31.800 31.341 0.459 25449 2168 1 5 . 1 1 22 22 LYS H H 22 8.040 8.040 8.520 -0.480 25449 2169 1 5 . 1 1 23 23 SER N N 23 114.900 114.900 116.833 -1.933 25449 2170 1 5 . 1 1 23 23 SER HA H 23 4.300 4.300 4.311 -0.011 25449 2171 1 5 . 1 1 23 23 SER C C 23 177.600 177.600 176.465 1.135 25449 2172 1 5 . 1 1 23 23 SER CA C 23 61.800 61.800 61.394 0.406 25449 2173 1 5 . 1 1 23 23 SER CB C 23 62.900 62.900 62.496 0.404 25449 2174 1 5 . 1 1 23 23 SER H H 23 8.240 8.240 8.179 0.061 25449 2175 1 5 . 1 1 24 24 LEU N N 24 118.800 118.800 121.488 -2.688 25449 2176 1 5 . 1 1 24 24 LEU HA H 24 4.180 4.180 4.218 -0.038 25449 2177 1 5 . 1 1 24 24 LEU C C 24 178.700 178.700 178.907 -0.207 25449 2178 1 5 . 1 1 24 24 LEU CA C 24 57.300 57.300 56.853 0.447 25449 2179 1 5 . 1 1 24 24 LEU CB C 24 42.100 42.100 41.471 0.629 25449 2180 1 5 . 1 1 24 24 LEU H H 24 7.750 7.750 7.389 0.361 25449 2181 1 5 . 1 1 25 25 TYR N N 25 123.200 123.200 120.846 2.354 25449 2182 1 5 . 1 1 25 25 TYR HA H 25 3.630 3.630 4.061 -0.431 25449 2183 1 5 . 1 1 25 25 TYR C C 25 178.600 178.600 177.256 1.344 25449 2184 1 5 . 1 1 25 25 TYR CA C 25 63.200 63.200 61.038 2.162 25449 2185 1 5 . 1 1 25 25 TYR CB C 25 38.200 38.200 38.585 -0.385 25449 2186 1 5 . 1 1 25 25 TYR H H 25 8.970 8.970 7.497 1.473 25449 2187 1 5 . 1 1 26 26 ASP N N 26 119.800 119.800 119.448 0.352 25449 2188 1 5 . 1 1 26 26 ASP HA H 26 4.270 4.270 4.508 -0.238 25449 2189 1 5 . 1 1 26 26 ASP C C 26 177.900 177.900 179.281 -1.381 25449 2190 1 5 . 1 1 26 26 ASP CA C 26 57.700 57.700 57.382 0.318 25449 2191 1 5 . 1 1 26 26 ASP CB C 26 40.000 40.000 41.152 -1.152 25449 2192 1 5 . 1 1 26 26 ASP H H 26 8.510 8.510 7.750 0.760 25449 2193 1 5 . 1 1 27 27 ILE N N 27 114.700 114.700 120.142 -5.442 25449 2194 1 5 . 1 1 27 27 ILE HA H 27 3.960 3.960 3.904 0.056 25449 2195 1 5 . 1 1 27 27 ILE C C 27 177.700 177.700 177.912 -0.212 25449 2196 1 5 . 1 1 27 27 ILE CA C 27 63.300 63.300 64.958 -1.658 25449 2197 1 5 . 1 1 27 27 ILE CB C 27 39.000 39.000 38.317 0.683 25449 2198 1 5 . 1 1 27 27 ILE H H 27 7.320 7.320 7.759 -0.439 25449 2199 1 5 . 1 1 28 28 PHE N N 28 116.900 116.900 115.273 1.627 25449 2200 1 5 . 1 1 28 28 PHE HA H 28 4.370 4.370 4.551 -0.181 25449 2201 1 5 . 1 1 28 28 PHE C C 28 179.900 179.900 176.506 3.394 25449 2202 1 5 . 1 1 28 28 PHE CA C 28 62.300 62.300 58.455 3.845 25449 2203 1 5 . 1 1 28 28 PHE CB C 28 37.300 37.300 38.475 -1.175 25449 2204 1 5 . 1 1 28 28 PHE H H 28 8.650 8.650 8.363 0.287 25449 2205 1 5 . 1 1 29 29 SER N N 29 120.100 120.100 112.382 7.718 25449 2206 1 5 . 1 1 29 29 SER HA H 29 4.410 4.410 4.742 -0.332 25449 2207 1 5 . 1 1 29 29 SER C C 29 175.600 175.600 175.488 0.112 25449 2208 1 5 . 1 1 29 29 SER CA C 29 61.300 61.300 59.281 2.019 25449 2209 1 5 . 1 1 29 29 SER CB C 29 62.200 62.200 63.526 -1.326 25449 2210 1 5 . 1 1 29 29 SER H H 29 8.880 8.880 7.546 1.334 25449 2211 1 5 . 1 1 30 30 SER N N 30 116.200 116.200 117.377 -1.177 25449 2212 1 5 . 1 1 30 30 SER HA H 30 3.940 3.940 4.296 -0.356 25449 2213 1 5 . 1 1 30 30 SER C C 30 174.900 174.900 175.639 -0.739 25449 2214 1 5 . 1 1 30 30 SER CA C 30 60.400 60.400 60.820 -0.420 25449 2215 1 5 . 1 1 30 30 SER CB C 30 62.400 62.400 63.158 -0.758 25449 2216 1 5 . 1 1 30 30 SER H H 30 7.270 7.270 8.209 -0.939 25449 2217 1 5 . 1 1 31 31 PHE N N 31 115.600 115.600 121.715 -6.115 25449 2218 1 5 . 1 1 31 31 PHE HA H 31 4.280 4.280 4.580 -0.300 25449 2219 1 5 . 1 1 31 31 PHE C C 31 174.100 174.100 176.326 -2.226 25449 2220 1 5 . 1 1 31 31 PHE CA C 31 58.900 58.900 58.986 -0.086 25449 2221 1 5 . 1 1 31 31 PHE CB C 31 39.300 39.300 39.977 -0.678 25449 2222 1 5 . 1 1 31 31 PHE H H 31 6.980 6.980 8.106 -1.126 25449 2223 1 5 . 1 1 32 32 GLY N N 32 104.900 104.900 106.978 -2.078 25449 2224 1 5 . 1 1 32 32 GLY C C 32 171.600 171.600 172.745 -1.145 25449 2225 1 5 . 1 1 32 32 GLY CA C 32 44.300 44.300 44.632 -0.332 25449 2226 1 5 . 1 1 32 32 GLY H H 32 7.300 7.300 7.565 -0.265 25449 2227 1 5 . 1 1 33 33 ASP N N 33 116.100 116.100 126.451 -10.351 25449 2228 1 5 . 1 1 33 33 ASP HA H 33 4.510 4.510 4.562 -0.052 25449 2229 1 5 . 1 1 33 33 ASP C C 33 176.800 176.800 174.504 2.296 25449 2230 1 5 . 1 1 33 33 ASP CA C 33 55.400 55.400 55.494 -0.094 25449 2231 1 5 . 1 1 33 33 ASP CB C 33 40.600 40.600 42.193 -1.593 25449 2232 1 5 . 1 1 33 33 ASP H H 33 8.120 8.120 8.459 -0.339 25449 2233 1 5 . 1 1 34 34 ILE N N 34 126.400 126.400 118.917 7.483 25449 2234 1 5 . 1 1 34 34 ILE HA H 34 3.850 3.850 4.105 -0.255 25449 2235 1 5 . 1 1 34 34 ILE C C 34 176.200 176.200 176.092 0.108 25449 2236 1 5 . 1 1 34 34 ILE CA C 34 60.200 60.200 58.174 2.026 25449 2237 1 5 . 1 1 34 34 ILE CB C 34 39.900 39.900 39.386 0.514 25449 2238 1 5 . 1 1 34 34 ILE H H 34 8.670 8.670 8.041 0.629 25449 2239 1 5 . 1 1 35 35 ARG N N 35 128.900 128.900 125.528 3.372 25449 2240 1 5 . 1 1 35 35 ARG HA H 35 4.160 4.160 4.196 -0.036 25449 2241 1 5 . 1 1 35 35 ARG C C 35 175.600 175.600 176.040 -0.440 25449 2242 1 5 . 1 1 35 35 ARG CA C 35 57.500 57.500 58.107 -0.607 25449 2243 1 5 . 1 1 35 35 ARG CB C 35 31.700 31.700 31.191 0.509 25449 2244 1 5 . 1 1 35 35 ARG H H 35 9.320 9.320 8.392 0.928 25449 2245 1 5 . 1 1 36 36 ASN N N 36 114.300 114.300 115.698 -1.398 25449 2246 1 5 . 1 1 36 36 ASN HA H 36 4.710 4.710 4.792 -0.082 25449 2247 1 5 . 1 1 36 36 ASN C C 36 172.000 172.000 172.986 -0.986 25449 2248 1 5 . 1 1 36 36 ASN CA C 36 53.500 53.500 53.334 0.167 25449 2249 1 5 . 1 1 36 36 ASN CB C 36 42.600 42.600 40.657 1.943 25449 2250 1 5 . 1 1 36 36 ASN H H 36 7.620 7.620 8.096 -0.476 25449 2251 1 5 . 1 1 37 37 ILE N N 37 122.700 122.700 123.766 -1.066 25449 2252 1 5 . 1 1 37 37 ILE HA H 37 4.770 4.770 4.503 0.267 25449 2253 1 5 . 1 1 37 37 ILE C C 37 173.300 173.300 174.785 -1.485 25449 2254 1 5 . 1 1 37 37 ILE CA C 37 60.600 60.600 60.838 -0.238 25449 2255 1 5 . 1 1 37 37 ILE CB C 37 41.200 41.200 39.766 1.434 25449 2256 1 5 . 1 1 37 37 ILE H H 37 8.030 8.030 8.471 -0.441 25449 2257 1 5 . 1 1 38 38 GLU N N 38 126.700 126.700 129.424 -2.724 25449 2258 1 5 . 1 1 38 38 GLU HA H 38 4.660 4.660 4.666 -0.006 25449 2259 1 5 . 1 1 38 38 GLU C C 38 174.800 174.800 174.211 0.589 25449 2260 1 5 . 1 1 38 38 GLU CA C 38 54.400 54.400 55.509 -1.109 25449 2261 1 5 . 1 1 38 38 GLU CB C 38 33.400 33.400 31.104 2.296 25449 2262 1 5 . 1 1 38 38 GLU H H 38 8.870 8.870 8.548 0.322 25449 2263 1 5 . 1 1 39 39 VAL N N 39 126.400 126.400 127.400 -1.000 25449 2264 1 5 . 1 1 39 39 VAL CA C 39 58.700 58.700 58.767 -0.067 25449 2265 1 5 . 1 1 39 39 VAL CB C 39 32.600 32.600 33.225 -0.625 25449 2266 1 5 . 1 1 39 39 VAL H H 39 8.970 8.970 8.315 0.655 25449 2267 1 5 . 1 1 40 40 PRO HA H 40 4.230 4.230 4.331 -0.101 25449 2268 1 5 . 1 1 40 40 PRO C C 40 176.300 176.300 175.279 1.021 25449 2269 1 5 . 1 1 40 40 PRO CA C 40 63.300 63.300 62.702 0.598 25449 2270 1 5 . 1 1 40 40 PRO CB C 40 32.500 32.500 32.198 0.302 25449 2271 1 5 . 1 1 41 41 LEU N N 41 120.700 120.700 123.038 -2.338 25449 2272 1 5 . 1 1 41 41 LEU HA H 41 4.520 4.520 4.615 -0.095 25449 2273 1 5 . 1 1 41 41 LEU C C 41 177.900 177.900 175.638 2.262 25449 2274 1 5 . 1 1 41 41 LEU CA C 41 53.100 53.100 53.379 -0.279 25449 2275 1 5 . 1 1 41 41 LEU CB C 41 44.300 44.300 45.880 -1.580 25449 2276 1 5 . 1 1 41 41 LEU H H 41 8.520 8.520 8.126 0.394 25449 2277 1 5 . 1 1 42 42 ASN N N 42 121.400 121.400 122.254 -0.854 25449 2278 1 5 . 1 1 42 42 ASN HA H 42 4.560 4.560 4.911 -0.351 25449 2279 1 5 . 1 1 42 42 ASN C C 42 176.700 176.700 176.003 0.697 25449 2280 1 5 . 1 1 42 42 ASN CA C 42 52.900 52.900 52.204 0.696 25449 2281 1 5 . 1 1 42 42 ASN CB C 42 39.000 39.000 39.867 -0.867 25449 2282 1 5 . 1 1 42 42 ASN H H 42 8.740 8.740 8.243 0.497 25449 2283 1 5 . 1 1 43 43 MET N N 43 125.500 125.500 125.805 -0.305 25449 2284 1 5 . 1 1 43 43 MET HA H 43 4.210 4.210 4.427 -0.217 25449 2285 1 5 . 1 1 43 43 MET C C 43 177.200 177.200 176.727 0.473 25449 2286 1 5 . 1 1 43 43 MET CA C 43 57.100 57.100 56.759 0.341 25449 2287 1 5 . 1 1 43 43 MET CB C 43 31.600 31.600 31.779 -0.179 25449 2288 1 5 . 1 1 43 43 MET H H 43 9.080 9.080 9.107 -0.027 25449 2289 1 5 . 1 1 44 44 THR N N 44 114.400 114.400 114.667 -0.267 25449 2290 1 5 . 1 1 44 44 THR HA H 44 4.160 4.160 4.323 -0.163 25449 2291 1 5 . 1 1 44 44 THR C C 44 175.900 175.900 175.966 -0.066 25449 2292 1 5 . 1 1 44 44 THR CA C 44 65.200 65.200 64.898 0.301 25449 2293 1 5 . 1 1 44 44 THR CB C 44 68.700 68.700 69.150 -0.450 25449 2294 1 5 . 1 1 44 44 THR H H 44 8.590 8.590 7.932 0.658 25449 2295 1 5 . 1 1 45 45 THR N N 45 110.300 110.300 113.906 -3.606 25449 2296 1 5 . 1 1 45 45 THR HA H 45 4.160 4.160 4.382 -0.222 25449 2297 1 5 . 1 1 45 45 THR C C 45 175.500 175.500 173.691 1.809 25449 2298 1 5 . 1 1 45 45 THR CA C 45 62.000 62.000 61.149 0.851 25449 2299 1 5 . 1 1 45 45 THR CB C 45 70.000 70.000 69.575 0.425 25449 2300 1 5 . 1 1 45 45 THR H H 45 7.610 7.610 7.559 0.051 25449 2301 1 5 . 1 1 46 46 LYS N N 46 115.700 115.700 122.078 -6.378 25449 2302 1 5 . 1 1 46 46 LYS HA H 46 3.720 3.720 3.938 -0.218 25449 2303 1 5 . 1 1 46 46 LYS C C 46 174.600 174.600 173.841 0.759 25449 2304 1 5 . 1 1 46 46 LYS CA C 46 57.600 57.600 57.325 0.275 25449 2305 1 5 . 1 1 46 46 LYS CB C 46 28.900 28.900 30.968 -2.068 25449 2306 1 5 . 1 1 46 46 LYS H H 46 8.460 8.460 8.194 0.266 25449 2307 1 5 . 1 1 47 47 LYS N N 47 117.100 117.100 121.495 -4.395 25449 2308 1 5 . 1 1 47 47 LYS HA H 47 4.680 4.680 4.572 0.108 25449 2309 1 5 . 1 1 47 47 LYS C C 47 176.300 176.300 176.457 -0.157 25449 2310 1 5 . 1 1 47 47 LYS CA C 47 54.000 54.000 53.804 0.196 25449 2311 1 5 . 1 1 47 47 LYS CB C 47 35.100 35.100 34.206 0.894 25449 2312 1 5 . 1 1 47 47 LYS H H 47 7.610 7.610 7.989 -0.379 25449 2313 1 5 . 1 1 48 48 ASN N N 48 117.700 117.700 120.382 -2.682 25449 2314 1 5 . 1 1 48 48 ASN HA H 48 4.700 4.700 4.811 -0.111 25449 2315 1 5 . 1 1 48 48 ASN C C 48 174.000 174.000 175.540 -1.540 25449 2316 1 5 . 1 1 48 48 ASN CA C 48 53.600 53.600 52.643 0.957 25449 2317 1 5 . 1 1 48 48 ASN CB C 48 37.700 37.700 39.009 -1.309 25449 2318 1 5 . 1 1 48 48 ASN H H 48 8.740 8.740 8.724 0.016 25449 2319 1 5 . 1 1 49 49 ARG N N 49 116.800 116.800 116.338 0.462 25449 2320 1 5 . 1 1 49 49 ARG HA H 49 4.350 4.350 4.001 0.349 25449 2321 1 5 . 1 1 49 49 ARG C C 49 177.500 177.500 176.465 1.035 25449 2322 1 5 . 1 1 49 49 ARG CA C 49 55.600 55.600 56.630 -1.030 25449 2323 1 5 . 1 1 49 49 ARG CB C 49 31.600 31.600 27.101 4.499 25449 2324 1 5 . 1 1 49 49 ARG H H 49 8.530 8.530 8.348 0.182 25449 2325 1 5 . 1 1 50 50 GLY N N 50 108.300 108.300 106.046 2.254 25449 2326 1 5 . 1 1 50 50 GLY C C 50 173.500 173.500 173.300 0.200 25449 2327 1 5 . 1 1 50 50 GLY CA C 50 45.800 45.800 45.260 0.540 25449 2328 1 5 . 1 1 50 50 GLY H H 50 8.900 8.900 8.880 0.020 25449 2329 1 5 . 1 1 51 51 PHE N N 51 113.900 113.900 115.731 -1.831 25449 2330 1 5 . 1 1 51 51 PHE HA H 51 5.470 5.470 4.647 0.823 25449 2331 1 5 . 1 1 51 51 PHE C C 51 172.000 172.000 172.336 -0.336 25449 2332 1 5 . 1 1 51 51 PHE CA C 51 55.000 55.000 56.069 -1.069 25449 2333 1 5 . 1 1 51 51 PHE CB C 51 42.700 42.700 40.681 2.019 25449 2334 1 5 . 1 1 51 51 PHE H H 51 6.910 6.910 7.357 -0.447 25449 2335 1 5 . 1 1 52 52 ALA N N 52 120.500 120.500 124.714 -4.214 25449 2336 1 5 . 1 1 52 52 ALA HA H 52 4.630 4.630 4.275 0.355 25449 2337 1 5 . 1 1 52 52 ALA C C 52 173.900 173.900 174.540 -0.640 25449 2338 1 5 . 1 1 52 52 ALA CA C 52 50.200 50.200 50.600 -0.400 25449 2339 1 5 . 1 1 52 52 ALA CB C 52 25.100 25.100 22.485 2.615 25449 2340 1 5 . 1 1 52 52 ALA H H 52 8.810 8.810 7.884 0.926 25449 2341 1 5 . 1 1 53 53 PHE N N 53 115.000 115.000 119.321 -4.321 25449 2342 1 5 . 1 1 53 53 PHE HA H 53 5.660 5.660 4.874 0.786 25449 2343 1 5 . 1 1 53 53 PHE C C 53 175.600 175.600 174.934 0.666 25449 2344 1 5 . 1 1 53 53 PHE CA C 53 56.200 56.200 55.749 0.451 25449 2345 1 5 . 1 1 53 53 PHE CB C 53 42.400 42.400 41.270 1.130 25449 2346 1 5 . 1 1 53 53 PHE H H 53 8.730 8.730 7.848 0.882 25449 2347 1 5 . 1 1 54 54 VAL N N 54 122.300 122.300 121.436 0.864 25449 2348 1 5 . 1 1 54 54 VAL HA H 54 4.100 4.100 4.330 -0.230 25449 2349 1 5 . 1 1 54 54 VAL C C 54 173.000 173.000 174.196 -1.196 25449 2350 1 5 . 1 1 54 54 VAL CA C 54 61.700 61.700 61.382 0.318 25449 2351 1 5 . 1 1 54 54 VAL CB C 54 34.400 34.400 34.843 -0.443 25449 2352 1 5 . 1 1 54 54 VAL H H 54 9.060 9.060 8.405 0.655 25449 2353 1 5 . 1 1 55 55 GLU N N 55 127.300 127.300 126.847 0.453 25449 2354 1 5 . 1 1 55 55 GLU HA H 55 5.160 5.160 4.740 0.420 25449 2355 1 5 . 1 1 55 55 GLU C C 55 175.900 175.900 175.626 0.274 25449 2356 1 5 . 1 1 55 55 GLU CA C 55 54.000 54.000 54.957 -0.957 25449 2357 1 5 . 1 1 55 55 GLU CB C 55 31.700 31.700 32.821 -1.121 25449 2358 1 5 . 1 1 55 55 GLU H H 55 8.860 8.860 8.261 0.599 25449 2359 1 5 . 1 1 56 56 TYR N N 56 127.500 127.500 122.210 5.290 25449 2360 1 5 . 1 1 56 56 TYR HA H 56 4.520 4.520 4.642 -0.122 25449 2361 1 5 . 1 1 56 56 TYR C C 56 175.000 175.000 176.361 -1.361 25449 2362 1 5 . 1 1 56 56 TYR CA C 56 59.700 59.700 58.288 1.412 25449 2363 1 5 . 1 1 56 56 TYR CB C 56 40.200 40.200 41.383 -1.183 25449 2364 1 5 . 1 1 56 56 TYR H H 56 9.470 9.470 8.210 1.260 25449 2365 1 5 . 1 1 57 57 VAL N N 57 119.200 119.200 119.889 -0.689 25449 2366 1 5 . 1 1 57 57 VAL HA H 57 3.570 3.570 4.033 -0.463 25449 2367 1 5 . 1 1 57 57 VAL C C 57 177.000 177.000 175.438 1.562 25449 2368 1 5 . 1 1 57 57 VAL CA C 57 66.300 66.300 64.415 1.885 25449 2369 1 5 . 1 1 57 57 VAL CB C 57 32.000 32.000 32.350 -0.350 25449 2370 1 5 . 1 1 57 57 VAL H H 57 7.800 7.800 8.306 -0.506 25449 2371 1 5 . 1 1 58 58 GLU N N 58 118.500 118.500 118.339 0.161 25449 2372 1 5 . 1 1 58 58 GLU HA H 58 4.780 4.780 4.578 0.202 25449 2373 1 5 . 1 1 58 58 GLU C C 58 177.500 177.500 176.493 1.007 25449 2374 1 5 . 1 1 58 58 GLU CA C 58 53.800 53.800 55.233 -1.433 25449 2375 1 5 . 1 1 58 58 GLU CB C 58 30.500 30.500 30.866 -0.366 25449 2376 1 5 . 1 1 58 58 GLU H H 58 9.530 9.530 8.074 1.456 25449 2377 1 5 . 1 1 59 59 VAL N N 59 125.200 125.200 125.455 -0.255 25449 2378 1 5 . 1 1 59 59 VAL HA H 59 3.530 3.530 3.820 -0.290 25449 2379 1 5 . 1 1 59 59 VAL C C 59 177.600 177.600 176.525 1.075 25449 2380 1 5 . 1 1 59 59 VAL CA C 59 66.100 66.100 65.218 0.882 25449 2381 1 5 . 1 1 59 59 VAL CB C 59 31.700 31.700 31.715 -0.015 25449 2382 1 5 . 1 1 59 59 VAL H H 59 8.650 8.650 8.820 -0.170 25449 2383 1 5 . 1 1 60 60 ASP N N 60 118.500 118.500 120.826 -2.326 25449 2384 1 5 . 1 1 60 60 ASP HA H 60 4.220 4.220 4.420 -0.200 25449 2385 1 5 . 1 1 60 60 ASP C C 60 178.300 178.300 177.922 0.378 25449 2386 1 5 . 1 1 60 60 ASP CA C 60 57.600 57.600 57.822 -0.222 25449 2387 1 5 . 1 1 60 60 ASP CB C 60 40.500 40.500 40.062 0.438 25449 2388 1 5 . 1 1 60 60 ASP H H 60 8.970 8.970 8.616 0.354 25449 2389 1 5 . 1 1 61 61 ASP N N 61 119.900 119.900 120.425 -0.525 25449 2390 1 5 . 1 1 61 61 ASP HA H 61 4.360 4.360 4.521 -0.161 25449 2391 1 5 . 1 1 61 61 ASP C C 61 176.800 176.800 178.053 -1.253 25449 2392 1 5 . 1 1 61 61 ASP CA C 61 56.900 56.900 56.919 -0.019 25449 2393 1 5 . 1 1 61 61 ASP CB C 61 39.800 39.800 40.600 -0.800 25449 2394 1 5 . 1 1 61 61 ASP H H 61 6.920 6.920 8.384 -1.464 25449 2395 1 5 . 1 1 62 62 ALA N N 62 122.700 122.700 123.320 -0.620 25449 2396 1 5 . 1 1 62 62 ALA HA H 62 3.380 3.380 3.115 0.265 25449 2397 1 5 . 1 1 62 62 ALA C C 62 171.600 171.600 178.966 -7.366 25449 2398 1 5 . 1 1 62 62 ALA CA C 62 55.100 55.100 55.248 -0.148 25449 2399 1 5 . 1 1 62 62 ALA CB C 62 18.200 18.200 18.261 -0.061 25449 2400 1 5 . 1 1 62 62 ALA H H 62 6.910 6.910 7.683 -0.773 25449 2401 1 5 . 1 1 63 63 LYS N N 63 116.200 116.200 118.529 -2.329 25449 2402 1 5 . 1 1 63 63 LYS HA H 63 4.190 4.190 3.822 0.368 25449 2403 1 5 . 1 1 63 63 LYS C C 63 179.200 179.200 178.874 0.326 25449 2404 1 5 . 1 1 63 63 LYS CA C 63 59.300 59.300 59.867 -0.567 25449 2405 1 5 . 1 1 63 63 LYS CB C 63 32.600 32.600 32.307 0.293 25449 2406 1 5 . 1 1 63 63 LYS H H 63 8.020 8.020 7.470 0.550 25449 2407 1 5 . 1 1 64 64 HIS N N 64 117.400 117.400 117.344 0.056 25449 2408 1 5 . 1 1 64 64 HIS HA H 64 4.310 4.310 4.415 -0.105 25449 2409 1 5 . 1 1 64 64 HIS CA C 64 58.000 58.000 58.546 -0.546 25449 2410 1 5 . 1 1 64 64 HIS CB C 64 29.100 29.100 30.174 -1.074 25449 2411 1 5 . 1 1 64 64 HIS H H 64 7.460 7.460 7.482 -0.022 25449 2412 1 5 . 1 1 65 65 ALA N N 65 123.700 123.700 122.176 1.524 25449 2413 1 5 . 1 1 65 65 ALA HA H 65 2.170 2.170 3.865 -1.695 25449 2414 1 5 . 1 1 65 65 ALA C C 65 178.700 178.700 179.178 -0.478 25449 2415 1 5 . 1 1 65 65 ALA CA C 65 54.800 54.800 54.796 0.004 25449 2416 1 5 . 1 1 65 65 ALA CB C 65 19.400 19.400 18.391 1.009 25449 2417 1 5 . 1 1 65 65 ALA H H 65 8.190 8.190 7.872 0.318 25449 2418 1 5 . 1 1 66 66 LEU N N 66 119.800 119.800 118.299 1.501 25449 2419 1 5 . 1 1 66 66 LEU HA H 66 3.430 3.430 4.038 -0.608 25449 2420 1 5 . 1 1 66 66 LEU C C 66 178.700 178.700 178.980 -0.280 25449 2421 1 5 . 1 1 66 66 LEU CA C 66 59.700 59.700 57.596 2.104 25449 2422 1 5 . 1 1 66 66 LEU CB C 66 41.100 41.100 41.509 -0.409 25449 2423 1 5 . 1 1 66 66 LEU H H 66 8.340 8.340 7.450 0.890 25449 2424 1 5 . 1 1 67 67 TYR N N 67 116.200 116.200 120.108 -3.908 25449 2425 1 5 . 1 1 67 67 TYR HA H 67 4.010 4.010 4.088 -0.078 25449 2426 1 5 . 1 1 67 67 TYR C C 67 177.700 177.700 177.523 0.177 25449 2427 1 5 . 1 1 67 67 TYR CA C 67 60.500 60.500 62.175 -1.675 25449 2428 1 5 . 1 1 67 67 TYR CB C 67 38.100 38.100 38.494 -0.394 25449 2429 1 5 . 1 1 67 67 TYR H H 67 7.760 7.760 7.681 0.079 25449 2430 1 5 . 1 1 68 68 ASN N N 68 113.900 113.900 116.211 -2.311 25449 2431 1 5 . 1 1 68 68 ASN HA H 68 4.430 4.430 4.564 -0.134 25449 2432 1 5 . 1 1 68 68 ASN C C 68 176.400 176.400 175.725 0.675 25449 2433 1 5 . 1 1 68 68 ASN CA C 68 55.600 55.600 54.813 0.787 25449 2434 1 5 . 1 1 68 68 ASN CB C 68 41.400 41.400 38.722 2.678 25449 2435 1 5 . 1 1 68 68 ASN H H 68 7.480 7.480 7.749 -0.269 25449 2436 1 5 . 1 1 69 69 MET N N 69 114.900 114.900 116.434 -1.534 25449 2437 1 5 . 1 1 69 69 MET HA H 69 4.760 4.760 4.492 0.268 25449 2438 1 5 . 1 1 69 69 MET C C 69 177.000 177.000 176.407 0.593 25449 2439 1 5 . 1 1 69 69 MET CA C 69 53.500 53.500 55.447 -1.947 25449 2440 1 5 . 1 1 69 69 MET CB C 69 31.100 31.100 32.683 -1.583 25449 2441 1 5 . 1 1 69 69 MET H H 69 8.310 8.310 7.362 0.948 25449 2442 1 5 . 1 1 70 70 ASN N N 70 117.700 117.700 119.222 -1.522 25449 2443 1 5 . 1 1 70 70 ASN HA H 70 4.370 4.370 4.603 -0.233 25449 2444 1 5 . 1 1 70 70 ASN C C 70 176.400 176.400 175.890 0.510 25449 2445 1 5 . 1 1 70 70 ASN CA C 70 56.100 56.100 55.050 1.050 25449 2446 1 5 . 1 1 70 70 ASN CB C 70 38.700 38.700 37.964 0.736 25449 2447 1 5 . 1 1 70 70 ASN H H 70 7.660 7.660 8.034 -0.374 25449 2448 1 5 . 1 1 71 71 ASN N N 71 121.500 121.500 117.249 4.251 25449 2449 1 5 . 1 1 71 71 ASN HA H 71 4.510 4.510 4.692 -0.182 25449 2450 1 5 . 1 1 71 71 ASN C C 71 173.300 173.300 174.402 -1.102 25449 2451 1 5 . 1 1 71 71 ASN CA C 71 55.800 55.800 52.907 2.893 25449 2452 1 5 . 1 1 71 71 ASN CB C 71 38.200 38.200 38.265 -0.065 25449 2453 1 5 . 1 1 71 71 ASN H H 71 8.600 8.600 8.237 0.363 25449 2454 1 5 . 1 1 72 72 PHE N N 72 122.300 122.300 120.846 1.454 25449 2455 1 5 . 1 1 72 72 PHE HA H 72 4.190 4.190 4.595 -0.405 25449 2456 1 5 . 1 1 72 72 PHE C C 72 174.100 174.100 173.933 0.167 25449 2457 1 5 . 1 1 72 72 PHE CA C 72 58.700 58.700 56.796 1.904 25449 2458 1 5 . 1 1 72 72 PHE CB C 72 41.300 41.300 41.633 -0.333 25449 2459 1 5 . 1 1 72 72 PHE H H 72 7.870 7.870 7.489 0.381 25449 2460 1 5 . 1 1 73 73 GLU N N 73 126.100 126.100 126.559 -0.459 25449 2461 1 5 . 1 1 73 73 GLU HA H 73 4.230 4.230 4.449 -0.219 25449 2462 1 5 . 1 1 73 73 GLU C C 73 173.000 173.000 174.002 -1.002 25449 2463 1 5 . 1 1 73 73 GLU CA C 73 55.600 55.600 54.404 1.196 25449 2464 1 5 . 1 1 73 73 GLU CB C 73 30.300 30.300 32.463 -2.163 25449 2465 1 5 . 1 1 73 73 GLU H H 73 7.690 7.690 7.627 0.063 25449 2466 1 5 . 1 1 74 74 LEU N N 74 128.900 128.900 126.589 2.311 25449 2467 1 5 . 1 1 74 74 LEU HA H 74 4.520 4.520 4.290 0.230 25449 2468 1 5 . 1 1 74 74 LEU C C 74 175.500 175.500 176.088 -0.588 25449 2469 1 5 . 1 1 74 74 LEU CA C 74 53.300 53.300 54.513 -1.213 25449 2470 1 5 . 1 1 74 74 LEU CB C 74 44.600 44.600 42.951 1.649 25449 2471 1 5 . 1 1 74 74 LEU H H 74 8.620 8.620 8.196 0.424 25449 2472 1 5 . 1 1 75 75 ASN N N 75 126.800 126.800 123.228 3.572 25449 2473 1 5 . 1 1 75 75 ASN HA H 75 4.210 4.210 4.470 -0.260 25449 2474 1 5 . 1 1 75 75 ASN C C 75 175.600 175.600 175.791 -0.191 25449 2475 1 5 . 1 1 75 75 ASN CA C 75 53.900 53.900 53.821 0.079 25449 2476 1 5 . 1 1 75 75 ASN CB C 75 36.900 36.900 36.971 -0.071 25449 2477 1 5 . 1 1 75 75 ASN H H 75 9.520 9.520 9.099 0.421 25449 2478 1 5 . 1 1 76 76 GLY N N 76 102.300 102.300 101.128 1.172 25449 2479 1 5 . 1 1 76 76 GLY C C 76 173.600 173.600 173.533 0.067 25449 2480 1 5 . 1 1 76 76 GLY CA C 76 45.300 45.300 45.454 -0.154 25449 2481 1 5 . 1 1 76 76 GLY H H 76 8.500 8.500 8.695 -0.195 25449 2482 1 5 . 1 1 77 77 LYS N N 77 120.800 120.800 118.141 2.659 25449 2483 1 5 . 1 1 77 77 LYS HA H 77 4.570 4.570 4.484 0.087 25449 2484 1 5 . 1 1 77 77 LYS C C 77 175.100 175.100 174.514 0.586 25449 2485 1 5 . 1 1 77 77 LYS CA C 77 54.200 54.200 54.577 -0.376 25449 2486 1 5 . 1 1 77 77 LYS CB C 77 34.500 34.500 35.262 -0.762 25449 2487 1 5 . 1 1 77 77 LYS H H 77 7.580 7.580 7.248 0.332 25449 2488 1 5 . 1 1 78 78 ARG N N 78 123.300 123.300 124.632 -1.332 25449 2489 1 5 . 1 1 78 78 ARG HA H 78 4.480 4.480 4.370 0.110 25449 2490 1 5 . 1 1 78 78 ARG C C 78 176.600 176.600 175.805 0.795 25449 2491 1 5 . 1 1 78 78 ARG CA C 78 55.300 55.300 55.752 -0.452 25449 2492 1 5 . 1 1 78 78 ARG CB C 78 30.300 30.300 31.069 -0.769 25449 2493 1 5 . 1 1 78 78 ARG H H 78 8.580 8.580 8.485 0.095 25449 2494 1 5 . 1 1 79 79 ILE N N 79 120.100 120.100 123.126 -3.026 25449 2495 1 5 . 1 1 79 79 ILE HA H 79 4.700 4.700 4.499 0.201 25449 2496 1 5 . 1 1 79 79 ILE C C 79 175.200 175.200 174.556 0.644 25449 2497 1 5 . 1 1 79 79 ILE CA C 79 60.000 60.000 58.964 1.036 25449 2498 1 5 . 1 1 79 79 ILE CB C 79 39.400 39.400 39.104 0.296 25449 2499 1 5 . 1 1 79 79 ILE H H 79 8.450 8.450 8.389 0.061 25449 2500 1 5 . 1 1 80 80 HIS N N 80 119.900 119.900 126.263 -6.363 25449 2501 1 5 . 1 1 80 80 HIS HA H 80 5.190 5.190 4.598 0.592 25449 2502 1 5 . 1 1 80 80 HIS C C 80 173.600 173.600 174.229 -0.629 25449 2503 1 5 . 1 1 80 80 HIS CA C 80 53.800 53.800 56.306 -2.506 25449 2504 1 5 . 1 1 80 80 HIS CB C 80 31.300 31.300 30.315 0.985 25449 2505 1 5 . 1 1 80 80 HIS H H 80 8.580 8.580 8.616 -0.036 25449 2506 1 5 . 1 1 81 81 VAL N N 81 123.800 123.800 127.424 -3.624 25449 2507 1 5 . 1 1 81 81 VAL HA H 81 5.280 5.280 4.433 0.847 25449 2508 1 5 . 1 1 81 81 VAL C C 81 173.600 173.600 174.700 -1.100 25449 2509 1 5 . 1 1 81 81 VAL CA C 81 60.200 60.200 61.206 -1.006 25449 2510 1 5 . 1 1 81 81 VAL CB C 81 35.000 35.000 32.554 2.446 25449 2511 1 5 . 1 1 81 81 VAL H H 81 8.650 8.650 8.175 0.475 25449 2512 1 5 . 1 1 82 82 ASN N N 82 121.100 121.100 124.493 -3.393 25449 2513 1 5 . 1 1 82 82 ASN HA H 82 4.750 4.750 4.970 -0.220 25449 2514 1 5 . 1 1 82 82 ASN C C 82 174.000 174.000 173.015 0.985 25449 2515 1 5 . 1 1 82 82 ASN CA C 82 51.900 51.900 51.673 0.227 25449 2516 1 5 . 1 1 82 82 ASN CB C 82 42.900 42.900 42.314 0.586 25449 2517 1 5 . 1 1 82 82 ASN H H 82 8.890 8.890 8.582 0.308 25449 2518 1 5 . 1 1 83 83 TYR N N 83 120.400 120.400 119.852 0.548 25449 2519 1 5 . 1 1 83 83 TYR HA H 83 4.800 4.800 5.015 -0.215 25449 2520 1 5 . 1 1 83 83 TYR C C 83 177.100 177.100 174.673 2.427 25449 2521 1 5 . 1 1 83 83 TYR CA C 83 59.400 59.400 57.900 1.500 25449 2522 1 5 . 1 1 83 83 TYR CB C 83 38.700 38.700 40.404 -1.704 25449 2523 1 5 . 1 1 83 83 TYR H H 83 8.480 8.480 8.747 -0.267 25449 2524 1 5 . 1 1 84 84 SER N N 84 118.000 118.000 117.648 0.352 25449 2525 1 5 . 1 1 84 84 SER HA H 84 4.520 4.520 4.395 0.125 25449 2526 1 5 . 1 1 84 84 SER C C 84 174.100 174.100 172.518 1.582 25449 2527 1 5 . 1 1 84 84 SER CA C 84 57.700 57.700 56.541 1.159 25449 2528 1 5 . 1 1 84 84 SER CB C 84 64.300 64.300 65.949 -1.649 25449 2529 1 5 . 1 1 84 84 SER H H 84 9.040 9.040 7.666 1.374 25449 2530 1 5 . 1 1 85 85 LYS N N 85 125.300 125.300 120.966 4.334 25449 2531 1 5 . 1 1 85 85 LYS HA H 85 4.440 4.440 4.364 0.076 25449 2532 1 5 . 1 1 85 85 LYS C C 85 175.600 175.600 175.497 0.103 25449 2533 1 5 . 1 1 85 85 LYS CA C 85 56.300 56.300 54.786 1.514 25449 2534 1 5 . 1 1 85 85 LYS CB C 85 33.700 33.700 33.254 0.446 25449 2535 1 5 . 1 1 85 85 LYS H H 85 8.410 8.410 8.149 0.261 25449 2536 1 6 . 1 1 -1 -1 SER N N -1 115.600 115.600 116.247 -0.647 25449 2537 1 6 . 1 1 -1 -1 SER HA H -1 4.410 4.410 4.902 -0.492 25449 2538 1 6 . 1 1 -1 -1 SER C C -1 172.000 172.000 174.983 -2.983 25449 2539 1 6 . 1 1 -1 -1 SER CA C -1 58.200 58.200 57.965 0.235 25449 2540 1 6 . 1 1 -1 -1 SER CB C -1 63.900 63.900 64.832 -0.932 25449 2541 1 6 . 1 1 -1 -1 SER H H -1 8.670 8.670 8.420 0.250 25449 2542 1 6 . 1 1 0 0 HIS N N 0 121.200 121.200 121.260 -0.060 25449 2543 1 6 . 1 1 0 0 HIS HA H 0 4.590 4.590 4.204 0.386 25449 2544 1 6 . 1 1 0 0 HIS C C 0 174.800 174.800 174.924 -0.124 25449 2545 1 6 . 1 1 0 0 HIS CA C 0 56.100 56.100 58.494 -2.394 25449 2546 1 6 . 1 1 0 0 HIS CB C 0 29.900 29.900 29.229 0.671 25449 2547 1 6 . 1 1 0 0 HIS H H 0 8.730 8.730 8.821 -0.091 25449 2548 1 6 . 1 1 1 1 MET N N 1 121.800 121.800 121.413 0.387 25449 2549 1 6 . 1 1 1 1 MET HA H 1 4.370 4.370 4.705 -0.335 25449 2550 1 6 . 1 1 1 1 MET C C 1 176.300 176.300 174.342 1.958 25449 2551 1 6 . 1 1 1 1 MET CA C 1 55.700 55.700 55.055 0.645 25449 2552 1 6 . 1 1 1 1 MET CB C 1 32.800 32.800 32.695 0.105 25449 2553 1 6 . 1 1 1 1 MET H H 1 8.450 8.450 8.251 0.199 25449 2554 1 6 . 1 1 2 2 SER N N 2 116.700 116.700 116.271 0.429 25449 2555 1 6 . 1 1 2 2 SER HA H 2 4.370 4.370 4.675 -0.305 25449 2556 1 6 . 1 1 2 2 SER C C 2 174.200 174.200 172.963 1.237 25449 2557 1 6 . 1 1 2 2 SER CA C 2 58.400 58.400 58.325 0.075 25449 2558 1 6 . 1 1 2 2 SER CB C 2 63.800 63.800 65.105 -1.305 25449 2559 1 6 . 1 1 2 2 SER H H 2 8.410 8.410 7.829 0.581 25449 2560 1 6 . 1 1 3 3 ASP N N 3 122.100 122.100 125.313 -3.213 25449 2561 1 6 . 1 1 3 3 ASP HA H 3 4.550 4.550 4.741 -0.191 25449 2562 1 6 . 1 1 3 3 ASP C C 3 176.100 176.100 175.389 0.711 25449 2563 1 6 . 1 1 3 3 ASP CA C 3 54.500 54.500 53.497 1.003 25449 2564 1 6 . 1 1 3 3 ASP CB C 3 41.200 41.200 39.722 1.478 25449 2565 1 6 . 1 1 3 3 ASP H H 3 8.340 8.340 8.594 -0.254 25449 2566 1 6 . 1 1 4 4 ASN N N 4 119.100 119.100 117.878 1.222 25449 2567 1 6 . 1 1 4 4 ASN HA H 4 4.580 4.580 4.815 -0.235 25449 2568 1 6 . 1 1 4 4 ASN C C 4 174.900 174.900 174.626 0.274 25449 2569 1 6 . 1 1 4 4 ASN CA C 4 53.700 53.700 52.555 1.145 25449 2570 1 6 . 1 1 4 4 ASN CB C 4 38.900 38.900 39.959 -1.058 25449 2571 1 6 . 1 1 4 4 ASN H H 4 8.420 8.420 7.507 0.913 25449 2572 1 6 . 1 1 5 5 ASN N N 5 118.400 118.400 118.435 -0.035 25449 2573 1 6 . 1 1 5 5 ASN HA H 5 4.540 4.540 4.639 -0.099 25449 2574 1 6 . 1 1 5 5 ASN C C 5 173.900 173.900 174.728 -0.828 25449 2575 1 6 . 1 1 5 5 ASN CA C 5 53.200 53.200 53.970 -0.770 25449 2576 1 6 . 1 1 5 5 ASN CB C 5 38.700 38.700 39.234 -0.534 25449 2577 1 6 . 1 1 5 5 ASN H H 5 8.340 8.340 8.597 -0.257 25449 2578 1 6 . 1 1 6 6 ALA N N 6 122.100 122.100 118.167 3.933 25449 2579 1 6 . 1 1 6 6 ALA HA H 6 2.740 2.740 3.891 -1.151 25449 2580 1 6 . 1 1 6 6 ALA C C 6 177.000 177.000 176.265 0.735 25449 2581 1 6 . 1 1 6 6 ALA CA C 6 52.300 52.300 52.026 0.273 25449 2582 1 6 . 1 1 6 6 ALA CB C 6 20.000 20.000 18.856 1.144 25449 2583 1 6 . 1 1 6 6 ALA H H 6 7.590 7.590 7.469 0.121 25449 2584 1 6 . 1 1 7 7 THR N N 7 112.700 112.700 116.264 -3.564 25449 2585 1 6 . 1 1 7 7 THR HA H 7 4.390 4.390 4.451 -0.061 25449 2586 1 6 . 1 1 7 7 THR C C 7 171.700 171.700 174.996 -3.296 25449 2587 1 6 . 1 1 7 7 THR CA C 7 59.800 59.800 61.620 -1.820 25449 2588 1 6 . 1 1 7 7 THR CB C 7 70.600 70.600 70.286 0.314 25449 2589 1 6 . 1 1 7 7 THR H H 7 6.840 6.840 7.993 -1.153 25449 2590 1 6 . 1 1 8 8 ASP N N 8 114.600 114.600 122.858 -8.258 25449 2591 1 6 . 1 1 8 8 ASP HA H 8 4.490 4.490 4.296 0.194 25449 2592 1 6 . 1 1 8 8 ASP C C 8 174.300 174.300 174.286 0.014 25449 2593 1 6 . 1 1 8 8 ASP CA C 8 53.500 53.500 55.836 -2.336 25449 2594 1 6 . 1 1 8 8 ASP CB C 8 39.800 39.800 40.192 -0.392 25449 2595 1 6 . 1 1 8 8 ASP H H 8 8.170 8.170 8.839 -0.669 25449 2596 1 6 . 1 1 9 9 ILE N N 9 117.800 117.800 118.737 -0.937 25449 2597 1 6 . 1 1 9 9 ILE HA H 9 4.810 4.810 4.393 0.417 25449 2598 1 6 . 1 1 9 9 ILE C C 9 174.700 174.700 173.850 0.850 25449 2599 1 6 . 1 1 9 9 ILE CA C 9 60.600 60.600 60.331 0.269 25449 2600 1 6 . 1 1 9 9 ILE CB C 9 40.300 40.300 40.505 -0.205 25449 2601 1 6 . 1 1 9 9 ILE H H 9 7.890 7.890 7.500 0.390 25449 2602 1 6 . 1 1 10 10 LEU N N 10 125.300 125.300 127.567 -2.267 25449 2603 1 6 . 1 1 10 10 LEU HA H 10 4.960 4.960 4.716 0.244 25449 2604 1 6 . 1 1 10 10 LEU C C 10 176.100 176.100 174.428 1.672 25449 2605 1 6 . 1 1 10 10 LEU CA C 10 52.900 52.900 54.408 -1.508 25449 2606 1 6 . 1 1 10 10 LEU CB C 10 43.100 43.100 45.147 -2.047 25449 2607 1 6 . 1 1 10 10 LEU H H 10 9.370 9.370 8.178 1.192 25449 2608 1 6 . 1 1 11 11 PHE N N 11 124.300 124.300 127.295 -2.995 25449 2609 1 6 . 1 1 11 11 PHE HA H 11 4.670 4.670 4.756 -0.086 25449 2610 1 6 . 1 1 11 11 PHE C C 11 173.400 173.400 173.492 -0.092 25449 2611 1 6 . 1 1 11 11 PHE CA C 11 57.000 57.000 56.149 0.851 25449 2612 1 6 . 1 1 11 11 PHE CB C 11 40.700 40.700 40.656 0.044 25449 2613 1 6 . 1 1 11 11 PHE H H 11 9.310 9.310 8.603 0.707 25449 2614 1 6 . 1 1 12 12 VAL N N 12 128.300 128.300 128.733 -0.433 25449 2615 1 6 . 1 1 12 12 VAL HA H 12 4.420 4.420 4.161 0.259 25449 2616 1 6 . 1 1 12 12 VAL C C 12 173.900 173.900 175.017 -1.117 25449 2617 1 6 . 1 1 12 12 VAL CA C 12 60.200 60.200 61.696 -1.496 25449 2618 1 6 . 1 1 12 12 VAL CB C 12 33.100 33.100 31.616 1.484 25449 2619 1 6 . 1 1 12 12 VAL H H 12 8.380 8.380 7.870 0.510 25449 2620 1 6 . 1 1 13 13 GLY N N 13 111.800 111.800 113.714 -1.914 25449 2621 1 6 . 1 1 13 13 GLY C C 13 173.800 173.800 173.172 0.628 25449 2622 1 6 . 1 1 13 13 GLY CA C 13 43.400 43.400 43.682 -0.282 25449 2623 1 6 . 1 1 13 13 GLY H H 13 9.150 9.150 7.736 1.414 25449 2624 1 6 . 1 1 14 14 GLY N N 14 107.600 107.600 111.060 -3.460 25449 2625 1 6 . 1 1 14 14 GLY C C 14 175.400 175.400 173.554 1.846 25449 2626 1 6 . 1 1 14 14 GLY CA C 14 45.800 45.800 44.798 1.002 25449 2627 1 6 . 1 1 14 14 GLY H H 14 8.260 8.260 8.089 0.171 25449 2628 1 6 . 1 1 15 15 ILE N N 15 111.100 111.100 118.164 -7.064 25449 2629 1 6 . 1 1 15 15 ILE HA H 15 4.040 4.040 4.323 -0.283 25449 2630 1 6 . 1 1 15 15 ILE C C 15 175.500 175.500 175.095 0.405 25449 2631 1 6 . 1 1 15 15 ILE CA C 15 60.500 60.500 58.929 1.571 25449 2632 1 6 . 1 1 15 15 ILE CB C 15 38.500 38.500 39.751 -1.250 25449 2633 1 6 . 1 1 15 15 ILE H H 15 6.930 6.930 7.136 -0.206 25449 2634 1 6 . 1 1 16 16 ASP N N 16 122.800 122.800 122.198 0.602 25449 2635 1 6 . 1 1 16 16 ASP HA H 16 4.580 4.580 4.532 0.048 25449 2636 1 6 . 1 1 16 16 ASP C C 16 177.200 177.200 176.735 0.465 25449 2637 1 6 . 1 1 16 16 ASP CA C 16 53.700 53.700 53.933 -0.233 25449 2638 1 6 . 1 1 16 16 ASP CB C 16 42.500 42.500 42.516 -0.016 25449 2639 1 6 . 1 1 16 16 ASP H H 16 8.320 8.320 8.635 -0.315 25449 2640 1 6 . 1 1 17 17 GLU N N 17 119.600 119.600 119.391 0.209 25449 2641 1 6 . 1 1 17 17 GLU HA H 17 4.140 4.140 4.191 -0.051 25449 2642 1 6 . 1 1 17 17 GLU C C 17 176.800 176.800 176.127 0.673 25449 2643 1 6 . 1 1 17 17 GLU CA C 17 58.600 58.600 57.174 1.426 25449 2644 1 6 . 1 1 17 17 GLU CB C 17 29.800 29.800 28.867 0.933 25449 2645 1 6 . 1 1 17 17 GLU H H 17 8.830 8.830 8.779 0.051 25449 2646 1 6 . 1 1 18 18 THR N N 18 111.300 111.300 114.444 -3.144 25449 2647 1 6 . 1 1 18 18 THR HA H 18 4.250 4.250 4.562 -0.312 25449 2648 1 6 . 1 1 18 18 THR C C 18 175.200 175.200 174.454 0.746 25449 2649 1 6 . 1 1 18 18 THR CA C 18 62.600 62.600 61.212 1.388 25449 2650 1 6 . 1 1 18 18 THR CB C 18 69.600 69.600 69.594 0.006 25449 2651 1 6 . 1 1 18 18 THR H H 18 8.740 8.740 7.659 1.081 25449 2652 1 6 . 1 1 19 19 ILE N N 19 123.300 123.300 119.747 3.553 25449 2653 1 6 . 1 1 19 19 ILE HA H 19 3.880 3.880 4.327 -0.447 25449 2654 1 6 . 1 1 19 19 ILE C C 19 174.300 174.300 174.533 -0.233 25449 2655 1 6 . 1 1 19 19 ILE CA C 19 59.900 59.900 58.730 1.170 25449 2656 1 6 . 1 1 19 19 ILE CB C 19 35.600 35.600 38.314 -2.714 25449 2657 1 6 . 1 1 19 19 ILE H H 19 7.220 7.220 7.386 -0.166 25449 2658 1 6 . 1 1 20 20 ASP N N 20 125.600 125.600 123.309 2.291 25449 2659 1 6 . 1 1 20 20 ASP HA H 20 4.640 4.640 4.797 -0.157 25449 2660 1 6 . 1 1 20 20 ASP C C 20 175.300 175.300 176.969 -1.669 25449 2661 1 6 . 1 1 20 20 ASP CA C 20 51.500 51.500 53.216 -1.716 25449 2662 1 6 . 1 1 20 20 ASP CB C 20 43.000 43.000 43.633 -0.633 25449 2663 1 6 . 1 1 20 20 ASP H H 20 7.790 7.790 8.210 -0.420 25449 2664 1 6 . 1 1 21 21 GLU N N 21 118.400 118.400 121.796 -3.396 25449 2665 1 6 . 1 1 21 21 GLU HA H 21 3.630 3.630 3.976 -0.346 25449 2666 1 6 . 1 1 21 21 GLU C C 21 177.900 177.900 178.067 -0.167 25449 2667 1 6 . 1 1 21 21 GLU CA C 21 60.900 60.900 59.949 0.951 25449 2668 1 6 . 1 1 21 21 GLU CB C 21 29.200 29.200 29.639 -0.439 25449 2669 1 6 . 1 1 21 21 GLU H H 21 9.220 9.220 8.858 0.362 25449 2670 1 6 . 1 1 22 22 LYS N N 22 119.700 119.700 117.314 2.386 25449 2671 1 6 . 1 1 22 22 LYS HA H 22 4.060 4.060 4.207 -0.147 25449 2672 1 6 . 1 1 22 22 LYS C C 22 178.500 178.500 178.650 -0.150 25449 2673 1 6 . 1 1 22 22 LYS CA C 22 59.300 59.300 59.024 0.276 25449 2674 1 6 . 1 1 22 22 LYS CB C 22 31.800 31.800 31.452 0.348 25449 2675 1 6 . 1 1 22 22 LYS H H 22 8.040 8.040 8.447 -0.407 25449 2676 1 6 . 1 1 23 23 SER N N 23 114.900 114.900 116.561 -1.661 25449 2677 1 6 . 1 1 23 23 SER HA H 23 4.300 4.300 4.298 0.002 25449 2678 1 6 . 1 1 23 23 SER C C 23 177.600 177.600 176.456 1.144 25449 2679 1 6 . 1 1 23 23 SER CA C 23 61.800 61.800 61.323 0.477 25449 2680 1 6 . 1 1 23 23 SER CB C 23 62.900 62.900 62.427 0.473 25449 2681 1 6 . 1 1 23 23 SER H H 23 8.240 8.240 8.213 0.027 25449 2682 1 6 . 1 1 24 24 LEU N N 24 118.800 118.800 120.573 -1.773 25449 2683 1 6 . 1 1 24 24 LEU HA H 24 4.180 4.180 4.288 -0.108 25449 2684 1 6 . 1 1 24 24 LEU C C 24 178.700 178.700 178.631 0.069 25449 2685 1 6 . 1 1 24 24 LEU CA C 24 57.300 57.300 56.435 0.865 25449 2686 1 6 . 1 1 24 24 LEU CB C 24 42.100 42.100 41.843 0.257 25449 2687 1 6 . 1 1 24 24 LEU H H 24 7.750 7.750 7.457 0.293 25449 2688 1 6 . 1 1 25 25 TYR N N 25 123.200 123.200 121.552 1.648 25449 2689 1 6 . 1 1 25 25 TYR HA H 25 3.630 3.630 4.131 -0.501 25449 2690 1 6 . 1 1 25 25 TYR C C 25 178.600 178.600 177.205 1.395 25449 2691 1 6 . 1 1 25 25 TYR CA C 25 63.200 63.200 60.365 2.835 25449 2692 1 6 . 1 1 25 25 TYR CB C 25 38.200 38.200 38.593 -0.393 25449 2693 1 6 . 1 1 25 25 TYR H H 25 8.970 8.970 7.357 1.613 25449 2694 1 6 . 1 1 26 26 ASP N N 26 119.800 119.800 119.344 0.456 25449 2695 1 6 . 1 1 26 26 ASP HA H 26 4.270 4.270 4.514 -0.244 25449 2696 1 6 . 1 1 26 26 ASP C C 26 177.900 177.900 178.880 -0.980 25449 2697 1 6 . 1 1 26 26 ASP CA C 26 57.700 57.700 57.809 -0.109 25449 2698 1 6 . 1 1 26 26 ASP CB C 26 40.000 40.000 40.929 -0.929 25449 2699 1 6 . 1 1 26 26 ASP H H 26 8.510 8.510 7.790 0.720 25449 2700 1 6 . 1 1 27 27 ILE N N 27 114.700 114.700 120.172 -5.472 25449 2701 1 6 . 1 1 27 27 ILE HA H 27 3.960 3.960 3.913 0.047 25449 2702 1 6 . 1 1 27 27 ILE C C 27 177.700 177.700 177.963 -0.263 25449 2703 1 6 . 1 1 27 27 ILE CA C 27 63.300 63.300 64.838 -1.538 25449 2704 1 6 . 1 1 27 27 ILE CB C 27 39.000 39.000 38.344 0.656 25449 2705 1 6 . 1 1 27 27 ILE H H 27 7.320 7.320 7.554 -0.234 25449 2706 1 6 . 1 1 28 28 PHE N N 28 116.900 116.900 117.129 -0.229 25449 2707 1 6 . 1 1 28 28 PHE HA H 28 4.370 4.370 4.620 -0.250 25449 2708 1 6 . 1 1 28 28 PHE C C 28 179.900 179.900 176.773 3.127 25449 2709 1 6 . 1 1 28 28 PHE CA C 28 62.300 62.300 58.703 3.597 25449 2710 1 6 . 1 1 28 28 PHE CB C 28 37.300 37.300 38.869 -1.569 25449 2711 1 6 . 1 1 28 28 PHE H H 28 8.650 8.650 8.139 0.511 25449 2712 1 6 . 1 1 29 29 SER N N 29 120.100 120.100 113.346 6.754 25449 2713 1 6 . 1 1 29 29 SER HA H 29 4.410 4.410 4.727 -0.317 25449 2714 1 6 . 1 1 29 29 SER C C 29 175.600 175.600 175.180 0.420 25449 2715 1 6 . 1 1 29 29 SER CA C 29 61.300 61.300 59.203 2.097 25449 2716 1 6 . 1 1 29 29 SER CB C 29 62.200 62.200 62.478 -0.278 25449 2717 1 6 . 1 1 29 29 SER H H 29 8.880 8.880 7.800 1.080 25449 2718 1 6 . 1 1 30 30 SER N N 30 116.200 116.200 117.303 -1.103 25449 2719 1 6 . 1 1 30 30 SER HA H 30 3.940 3.940 4.296 -0.356 25449 2720 1 6 . 1 1 30 30 SER C C 30 174.900 174.900 175.871 -0.971 25449 2721 1 6 . 1 1 30 30 SER CA C 30 60.400 60.400 60.750 -0.350 25449 2722 1 6 . 1 1 30 30 SER CB C 30 62.400 62.400 63.225 -0.825 25449 2723 1 6 . 1 1 30 30 SER H H 30 7.270 7.270 8.040 -0.770 25449 2724 1 6 . 1 1 31 31 PHE N N 31 115.600 115.600 121.135 -5.535 25449 2725 1 6 . 1 1 31 31 PHE HA H 31 4.280 4.280 4.626 -0.346 25449 2726 1 6 . 1 1 31 31 PHE C C 31 174.100 174.100 176.216 -2.116 25449 2727 1 6 . 1 1 31 31 PHE CA C 31 58.900 58.900 58.918 -0.018 25449 2728 1 6 . 1 1 31 31 PHE CB C 31 39.300 39.300 40.446 -1.146 25449 2729 1 6 . 1 1 31 31 PHE H H 31 6.980 6.980 7.882 -0.902 25449 2730 1 6 . 1 1 32 32 GLY N N 32 104.900 104.900 107.543 -2.643 25449 2731 1 6 . 1 1 32 32 GLY C C 32 171.600 171.600 172.889 -1.289 25449 2732 1 6 . 1 1 32 32 GLY CA C 32 44.300 44.300 44.368 -0.068 25449 2733 1 6 . 1 1 32 32 GLY H H 32 7.300 7.300 7.687 -0.387 25449 2734 1 6 . 1 1 33 33 ASP N N 33 116.100 116.100 126.997 -10.897 25449 2735 1 6 . 1 1 33 33 ASP HA H 33 4.510 4.510 4.539 -0.029 25449 2736 1 6 . 1 1 33 33 ASP C C 33 176.800 176.800 174.489 2.311 25449 2737 1 6 . 1 1 33 33 ASP CA C 33 55.400 55.400 55.750 -0.350 25449 2738 1 6 . 1 1 33 33 ASP CB C 33 40.600 40.600 42.087 -1.486 25449 2739 1 6 . 1 1 33 33 ASP H H 33 8.120 8.120 8.466 -0.346 25449 2740 1 6 . 1 1 34 34 ILE N N 34 126.400 126.400 119.144 7.256 25449 2741 1 6 . 1 1 34 34 ILE HA H 34 3.850 3.850 4.148 -0.298 25449 2742 1 6 . 1 1 34 34 ILE C C 34 176.200 176.200 176.052 0.148 25449 2743 1 6 . 1 1 34 34 ILE CA C 34 60.200 60.200 58.035 2.165 25449 2744 1 6 . 1 1 34 34 ILE CB C 34 39.900 39.900 38.671 1.229 25449 2745 1 6 . 1 1 34 34 ILE H H 34 8.670 8.670 8.033 0.637 25449 2746 1 6 . 1 1 35 35 ARG N N 35 128.900 128.900 126.740 2.160 25449 2747 1 6 . 1 1 35 35 ARG HA H 35 4.160 4.160 4.184 -0.024 25449 2748 1 6 . 1 1 35 35 ARG C C 35 175.600 175.600 176.275 -0.675 25449 2749 1 6 . 1 1 35 35 ARG CA C 35 57.500 57.500 58.352 -0.852 25449 2750 1 6 . 1 1 35 35 ARG CB C 35 31.700 31.700 31.170 0.530 25449 2751 1 6 . 1 1 35 35 ARG H H 35 9.320 9.320 8.365 0.955 25449 2752 1 6 . 1 1 36 36 ASN N N 36 114.300 114.300 114.589 -0.289 25449 2753 1 6 . 1 1 36 36 ASN HA H 36 4.710 4.710 4.824 -0.114 25449 2754 1 6 . 1 1 36 36 ASN C C 36 172.000 172.000 172.860 -0.860 25449 2755 1 6 . 1 1 36 36 ASN CA C 36 53.500 53.500 53.053 0.446 25449 2756 1 6 . 1 1 36 36 ASN CB C 36 42.600 42.600 41.066 1.534 25449 2757 1 6 . 1 1 36 36 ASN H H 36 7.620 7.620 8.095 -0.475 25449 2758 1 6 . 1 1 37 37 ILE N N 37 122.700 122.700 122.797 -0.097 25449 2759 1 6 . 1 1 37 37 ILE HA H 37 4.770 4.770 4.330 0.440 25449 2760 1 6 . 1 1 37 37 ILE C C 37 173.300 173.300 174.568 -1.268 25449 2761 1 6 . 1 1 37 37 ILE CA C 37 60.600 60.600 61.397 -0.797 25449 2762 1 6 . 1 1 37 37 ILE CB C 37 41.200 41.200 40.716 0.484 25449 2763 1 6 . 1 1 37 37 ILE H H 37 8.030 8.030 8.513 -0.483 25449 2764 1 6 . 1 1 38 38 GLU N N 38 126.700 126.700 129.473 -2.773 25449 2765 1 6 . 1 1 38 38 GLU HA H 38 4.660 4.660 4.526 0.134 25449 2766 1 6 . 1 1 38 38 GLU C C 38 174.800 174.800 174.566 0.234 25449 2767 1 6 . 1 1 38 38 GLU CA C 38 54.400 54.400 55.727 -1.327 25449 2768 1 6 . 1 1 38 38 GLU CB C 38 33.400 33.400 30.472 2.928 25449 2769 1 6 . 1 1 38 38 GLU H H 38 8.870 8.870 8.628 0.242 25449 2770 1 6 . 1 1 39 39 VAL N N 39 126.400 126.400 126.404 -0.004 25449 2771 1 6 . 1 1 39 39 VAL CA C 39 58.700 58.700 59.000 -0.300 25449 2772 1 6 . 1 1 39 39 VAL CB C 39 32.600 32.600 33.072 -0.472 25449 2773 1 6 . 1 1 39 39 VAL H H 39 8.970 8.970 8.288 0.682 25449 2774 1 6 . 1 1 40 40 PRO HA H 40 4.230 4.230 4.400 -0.170 25449 2775 1 6 . 1 1 40 40 PRO C C 40 176.300 176.300 175.270 1.030 25449 2776 1 6 . 1 1 40 40 PRO CA C 40 63.300 63.300 62.657 0.643 25449 2777 1 6 . 1 1 40 40 PRO CB C 40 32.500 32.500 32.273 0.227 25449 2778 1 6 . 1 1 41 41 LEU N N 41 120.700 120.700 122.651 -1.951 25449 2779 1 6 . 1 1 41 41 LEU HA H 41 4.520 4.520 4.664 -0.144 25449 2780 1 6 . 1 1 41 41 LEU C C 41 177.900 177.900 175.627 2.273 25449 2781 1 6 . 1 1 41 41 LEU CA C 41 53.100 53.100 53.738 -0.638 25449 2782 1 6 . 1 1 41 41 LEU CB C 41 44.300 44.300 45.698 -1.398 25449 2783 1 6 . 1 1 41 41 LEU H H 41 8.520 8.520 8.171 0.349 25449 2784 1 6 . 1 1 42 42 ASN N N 42 121.400 121.400 121.327 0.073 25449 2785 1 6 . 1 1 42 42 ASN HA H 42 4.560 4.560 4.936 -0.376 25449 2786 1 6 . 1 1 42 42 ASN C C 42 176.700 176.700 176.286 0.414 25449 2787 1 6 . 1 1 42 42 ASN CA C 42 52.900 52.900 52.260 0.640 25449 2788 1 6 . 1 1 42 42 ASN CB C 42 39.000 39.000 39.966 -0.966 25449 2789 1 6 . 1 1 42 42 ASN H H 42 8.740 8.740 8.424 0.316 25449 2790 1 6 . 1 1 43 43 MET N N 43 125.500 125.500 124.891 0.609 25449 2791 1 6 . 1 1 43 43 MET HA H 43 4.210 4.210 4.440 -0.230 25449 2792 1 6 . 1 1 43 43 MET C C 43 177.200 177.200 176.851 0.349 25449 2793 1 6 . 1 1 43 43 MET CA C 43 57.100 57.100 57.286 -0.186 25449 2794 1 6 . 1 1 43 43 MET CB C 43 31.600 31.600 32.281 -0.681 25449 2795 1 6 . 1 1 43 43 MET H H 43 9.080 9.080 9.039 0.041 25449 2796 1 6 . 1 1 44 44 THR N N 44 114.400 114.400 113.960 0.440 25449 2797 1 6 . 1 1 44 44 THR HA H 44 4.160 4.160 4.346 -0.186 25449 2798 1 6 . 1 1 44 44 THR C C 44 175.900 175.900 175.941 -0.041 25449 2799 1 6 . 1 1 44 44 THR CA C 44 65.200 65.200 64.693 0.507 25449 2800 1 6 . 1 1 44 44 THR CB C 44 68.700 68.700 69.262 -0.562 25449 2801 1 6 . 1 1 44 44 THR H H 44 8.590 8.590 7.926 0.664 25449 2802 1 6 . 1 1 45 45 THR N N 45 110.300 110.300 114.700 -4.400 25449 2803 1 6 . 1 1 45 45 THR HA H 45 4.160 4.160 4.390 -0.230 25449 2804 1 6 . 1 1 45 45 THR C C 45 175.500 175.500 173.263 2.237 25449 2805 1 6 . 1 1 45 45 THR CA C 45 62.000 62.000 61.310 0.690 25449 2806 1 6 . 1 1 45 45 THR CB C 45 70.000 70.000 69.617 0.383 25449 2807 1 6 . 1 1 45 45 THR H H 45 7.610 7.610 7.517 0.093 25449 2808 1 6 . 1 1 46 46 LYS N N 46 115.700 115.700 121.153 -5.453 25449 2809 1 6 . 1 1 46 46 LYS HA H 46 3.720 3.720 3.944 -0.224 25449 2810 1 6 . 1 1 46 46 LYS C C 46 174.600 174.600 173.922 0.678 25449 2811 1 6 . 1 1 46 46 LYS CA C 46 57.600 57.600 57.323 0.277 25449 2812 1 6 . 1 1 46 46 LYS CB C 46 28.900 28.900 31.614 -2.714 25449 2813 1 6 . 1 1 46 46 LYS H H 46 8.460 8.460 8.113 0.347 25449 2814 1 6 . 1 1 47 47 LYS N N 47 117.100 117.100 120.557 -3.457 25449 2815 1 6 . 1 1 47 47 LYS HA H 47 4.680 4.680 4.546 0.134 25449 2816 1 6 . 1 1 47 47 LYS C C 47 176.300 176.300 176.287 0.013 25449 2817 1 6 . 1 1 47 47 LYS CA C 47 54.000 54.000 54.825 -0.825 25449 2818 1 6 . 1 1 47 47 LYS CB C 47 35.100 35.100 34.330 0.770 25449 2819 1 6 . 1 1 47 47 LYS H H 47 7.610 7.610 7.889 -0.279 25449 2820 1 6 . 1 1 48 48 ASN N N 48 117.700 117.700 121.116 -3.416 25449 2821 1 6 . 1 1 48 48 ASN HA H 48 4.700 4.700 4.915 -0.215 25449 2822 1 6 . 1 1 48 48 ASN C C 48 174.000 174.000 175.579 -1.579 25449 2823 1 6 . 1 1 48 48 ASN CA C 48 53.600 53.600 52.664 0.936 25449 2824 1 6 . 1 1 48 48 ASN CB C 48 37.700 37.700 39.289 -1.589 25449 2825 1 6 . 1 1 48 48 ASN H H 48 8.740 8.740 8.881 -0.141 25449 2826 1 6 . 1 1 49 49 ARG N N 49 116.800 116.800 116.895 -0.095 25449 2827 1 6 . 1 1 49 49 ARG HA H 49 4.350 4.350 4.021 0.329 25449 2828 1 6 . 1 1 49 49 ARG C C 49 177.500 177.500 176.451 1.049 25449 2829 1 6 . 1 1 49 49 ARG CA C 49 55.600 55.600 56.565 -0.965 25449 2830 1 6 . 1 1 49 49 ARG CB C 49 31.600 31.600 27.142 4.458 25449 2831 1 6 . 1 1 49 49 ARG H H 49 8.530 8.530 8.417 0.113 25449 2832 1 6 . 1 1 50 50 GLY N N 50 108.300 108.300 106.145 2.155 25449 2833 1 6 . 1 1 50 50 GLY C C 50 173.500 173.500 173.481 0.019 25449 2834 1 6 . 1 1 50 50 GLY CA C 50 45.800 45.800 45.325 0.474 25449 2835 1 6 . 1 1 50 50 GLY H H 50 8.900 8.900 8.820 0.080 25449 2836 1 6 . 1 1 51 51 PHE N N 51 113.900 113.900 115.848 -1.948 25449 2837 1 6 . 1 1 51 51 PHE HA H 51 5.470 5.470 4.562 0.908 25449 2838 1 6 . 1 1 51 51 PHE C C 51 172.000 172.000 171.914 0.086 25449 2839 1 6 . 1 1 51 51 PHE CA C 51 55.000 55.000 56.045 -1.045 25449 2840 1 6 . 1 1 51 51 PHE CB C 51 42.700 42.700 40.370 2.329 25449 2841 1 6 . 1 1 51 51 PHE H H 51 6.910 6.910 7.384 -0.474 25449 2842 1 6 . 1 1 52 52 ALA N N 52 120.500 120.500 125.128 -4.628 25449 2843 1 6 . 1 1 52 52 ALA HA H 52 4.630 4.630 4.584 0.046 25449 2844 1 6 . 1 1 52 52 ALA C C 52 173.900 173.900 174.737 -0.837 25449 2845 1 6 . 1 1 52 52 ALA CA C 52 50.200 50.200 50.708 -0.508 25449 2846 1 6 . 1 1 52 52 ALA CB C 52 25.100 25.100 22.003 3.098 25449 2847 1 6 . 1 1 52 52 ALA H H 52 8.810 8.810 7.121 1.689 25449 2848 1 6 . 1 1 53 53 PHE N N 53 115.000 115.000 121.088 -6.088 25449 2849 1 6 . 1 1 53 53 PHE HA H 53 5.660 5.660 4.910 0.750 25449 2850 1 6 . 1 1 53 53 PHE C C 53 175.600 175.600 175.262 0.338 25449 2851 1 6 . 1 1 53 53 PHE CA C 53 56.200 56.200 57.893 -1.693 25449 2852 1 6 . 1 1 53 53 PHE CB C 53 42.400 42.400 41.250 1.150 25449 2853 1 6 . 1 1 53 53 PHE H H 53 8.730 8.730 8.451 0.279 25449 2854 1 6 . 1 1 54 54 VAL N N 54 122.300 122.300 121.637 0.663 25449 2855 1 6 . 1 1 54 54 VAL HA H 54 4.100 4.100 4.295 -0.195 25449 2856 1 6 . 1 1 54 54 VAL C C 54 173.000 173.000 173.915 -0.915 25449 2857 1 6 . 1 1 54 54 VAL CA C 54 61.700 61.700 61.546 0.154 25449 2858 1 6 . 1 1 54 54 VAL CB C 54 34.400 34.400 33.730 0.670 25449 2859 1 6 . 1 1 54 54 VAL H H 54 9.060 9.060 8.333 0.727 25449 2860 1 6 . 1 1 55 55 GLU N N 55 127.300 127.300 126.425 0.875 25449 2861 1 6 . 1 1 55 55 GLU HA H 55 5.160 5.160 4.713 0.447 25449 2862 1 6 . 1 1 55 55 GLU C C 55 175.900 175.900 175.493 0.407 25449 2863 1 6 . 1 1 55 55 GLU CA C 55 54.000 54.000 55.130 -1.130 25449 2864 1 6 . 1 1 55 55 GLU CB C 55 31.700 31.700 32.930 -1.230 25449 2865 1 6 . 1 1 55 55 GLU H H 55 8.860 8.860 8.108 0.752 25449 2866 1 6 . 1 1 56 56 TYR N N 56 127.500 127.500 124.042 3.458 25449 2867 1 6 . 1 1 56 56 TYR HA H 56 4.520 4.520 4.517 0.003 25449 2868 1 6 . 1 1 56 56 TYR C C 56 175.000 175.000 174.996 0.004 25449 2869 1 6 . 1 1 56 56 TYR CA C 56 59.700 59.700 58.722 0.978 25449 2870 1 6 . 1 1 56 56 TYR CB C 56 40.200 40.200 40.769 -0.569 25449 2871 1 6 . 1 1 56 56 TYR H H 56 9.470 9.470 8.132 1.338 25449 2872 1 6 . 1 1 57 57 VAL N N 57 119.200 119.200 117.669 1.531 25449 2873 1 6 . 1 1 57 57 VAL HA H 57 3.570 3.570 3.962 -0.392 25449 2874 1 6 . 1 1 57 57 VAL C C 57 177.000 177.000 176.051 0.949 25449 2875 1 6 . 1 1 57 57 VAL CA C 57 66.300 66.300 64.042 2.258 25449 2876 1 6 . 1 1 57 57 VAL CB C 57 32.000 32.000 32.398 -0.398 25449 2877 1 6 . 1 1 57 57 VAL H H 57 7.800 7.800 7.964 -0.164 25449 2878 1 6 . 1 1 58 58 GLU N N 58 118.500 118.500 116.986 1.514 25449 2879 1 6 . 1 1 58 58 GLU HA H 58 4.780 4.780 4.615 0.165 25449 2880 1 6 . 1 1 58 58 GLU C C 58 177.500 177.500 177.722 -0.222 25449 2881 1 6 . 1 1 58 58 GLU CA C 58 53.800 53.800 55.694 -1.894 25449 2882 1 6 . 1 1 58 58 GLU CB C 58 30.500 30.500 31.102 -0.602 25449 2883 1 6 . 1 1 58 58 GLU H H 58 9.530 9.530 8.078 1.452 25449 2884 1 6 . 1 1 59 59 VAL N N 59 125.200 125.200 121.396 3.804 25449 2885 1 6 . 1 1 59 59 VAL HA H 59 3.530 3.530 4.043 -0.513 25449 2886 1 6 . 1 1 59 59 VAL C C 59 177.600 177.600 176.938 0.662 25449 2887 1 6 . 1 1 59 59 VAL CA C 59 66.100 66.100 65.014 1.086 25449 2888 1 6 . 1 1 59 59 VAL CB C 59 31.700 31.700 32.462 -0.763 25449 2889 1 6 . 1 1 59 59 VAL H H 59 8.650 8.650 8.573 0.077 25449 2890 1 6 . 1 1 60 60 ASP N N 60 118.500 118.500 121.765 -3.265 25449 2891 1 6 . 1 1 60 60 ASP HA H 60 4.220 4.220 4.416 -0.196 25449 2892 1 6 . 1 1 60 60 ASP C C 60 178.300 178.300 177.956 0.344 25449 2893 1 6 . 1 1 60 60 ASP CA C 60 57.600 57.600 57.707 -0.107 25449 2894 1 6 . 1 1 60 60 ASP CB C 60 40.500 40.500 40.031 0.469 25449 2895 1 6 . 1 1 60 60 ASP H H 60 8.970 8.970 8.730 0.240 25449 2896 1 6 . 1 1 61 61 ASP N N 61 119.900 119.900 120.619 -0.719 25449 2897 1 6 . 1 1 61 61 ASP HA H 61 4.360 4.360 4.580 -0.220 25449 2898 1 6 . 1 1 61 61 ASP C C 61 176.800 176.800 178.192 -1.392 25449 2899 1 6 . 1 1 61 61 ASP CA C 61 56.900 56.900 57.200 -0.300 25449 2900 1 6 . 1 1 61 61 ASP CB C 61 39.800 39.800 40.724 -0.923 25449 2901 1 6 . 1 1 61 61 ASP H H 61 6.920 6.920 8.537 -1.617 25449 2902 1 6 . 1 1 62 62 ALA N N 62 122.700 122.700 122.428 0.272 25449 2903 1 6 . 1 1 62 62 ALA HA H 62 3.380 3.380 3.516 -0.136 25449 2904 1 6 . 1 1 62 62 ALA C C 62 171.600 171.600 179.357 -7.757 25449 2905 1 6 . 1 1 62 62 ALA CA C 62 55.100 55.100 55.033 0.067 25449 2906 1 6 . 1 1 62 62 ALA CB C 62 18.200 18.200 18.342 -0.142 25449 2907 1 6 . 1 1 62 62 ALA H H 62 6.910 6.910 7.700 -0.790 25449 2908 1 6 . 1 1 63 63 LYS N N 63 116.200 116.200 118.486 -2.286 25449 2909 1 6 . 1 1 63 63 LYS HA H 63 4.190 4.190 4.054 0.136 25449 2910 1 6 . 1 1 63 63 LYS C C 63 179.200 179.200 179.280 -0.080 25449 2911 1 6 . 1 1 63 63 LYS CA C 63 59.300 59.300 59.408 -0.108 25449 2912 1 6 . 1 1 63 63 LYS CB C 63 32.600 32.600 32.032 0.568 25449 2913 1 6 . 1 1 63 63 LYS H H 63 8.020 8.020 8.014 0.006 25449 2914 1 6 . 1 1 64 64 HIS N N 64 117.400 117.400 117.441 -0.041 25449 2915 1 6 . 1 1 64 64 HIS HA H 64 4.310 4.310 4.427 -0.117 25449 2916 1 6 . 1 1 64 64 HIS CA C 64 58.000 58.000 59.136 -1.136 25449 2917 1 6 . 1 1 64 64 HIS CB C 64 29.100 29.100 29.598 -0.498 25449 2918 1 6 . 1 1 64 64 HIS H H 64 7.460 7.460 7.794 -0.334 25449 2919 1 6 . 1 1 65 65 ALA N N 65 123.700 123.700 122.264 1.436 25449 2920 1 6 . 1 1 65 65 ALA HA H 65 2.170 2.170 4.025 -1.855 25449 2921 1 6 . 1 1 65 65 ALA C C 65 178.700 178.700 179.442 -0.742 25449 2922 1 6 . 1 1 65 65 ALA CA C 65 54.800 54.800 54.486 0.314 25449 2923 1 6 . 1 1 65 65 ALA CB C 65 19.400 19.400 18.598 0.802 25449 2924 1 6 . 1 1 65 65 ALA H H 65 8.190 8.190 7.632 0.558 25449 2925 1 6 . 1 1 66 66 LEU N N 66 119.800 119.800 119.906 -0.106 25449 2926 1 6 . 1 1 66 66 LEU HA H 66 3.430 3.430 4.002 -0.572 25449 2927 1 6 . 1 1 66 66 LEU C C 66 178.700 178.700 178.940 -0.240 25449 2928 1 6 . 1 1 66 66 LEU CA C 66 59.700 59.700 57.584 2.116 25449 2929 1 6 . 1 1 66 66 LEU CB C 66 41.100 41.100 41.738 -0.638 25449 2930 1 6 . 1 1 66 66 LEU H H 66 8.340 8.340 7.513 0.827 25449 2931 1 6 . 1 1 67 67 TYR N N 67 116.200 116.200 114.581 1.619 25449 2932 1 6 . 1 1 67 67 TYR HA H 67 4.010 4.010 4.327 -0.317 25449 2933 1 6 . 1 1 67 67 TYR C C 67 177.700 177.700 177.105 0.595 25449 2934 1 6 . 1 1 67 67 TYR CA C 67 60.500 60.500 60.979 -0.479 25449 2935 1 6 . 1 1 67 67 TYR CB C 67 38.100 38.100 37.971 0.129 25449 2936 1 6 . 1 1 67 67 TYR H H 67 7.760 7.760 7.749 0.011 25449 2937 1 6 . 1 1 68 68 ASN N N 68 113.900 113.900 115.891 -1.991 25449 2938 1 6 . 1 1 68 68 ASN HA H 68 4.430 4.430 4.731 -0.301 25449 2939 1 6 . 1 1 68 68 ASN C C 68 176.400 176.400 175.771 0.629 25449 2940 1 6 . 1 1 68 68 ASN CA C 68 55.600 55.600 53.709 1.891 25449 2941 1 6 . 1 1 68 68 ASN CB C 68 41.400 41.400 38.808 2.592 25449 2942 1 6 . 1 1 68 68 ASN H H 68 7.480 7.480 7.652 -0.172 25449 2943 1 6 . 1 1 69 69 MET N N 69 114.900 114.900 116.575 -1.675 25449 2944 1 6 . 1 1 69 69 MET HA H 69 4.760 4.760 4.552 0.208 25449 2945 1 6 . 1 1 69 69 MET C C 69 177.000 177.000 176.964 0.036 25449 2946 1 6 . 1 1 69 69 MET CA C 69 53.500 53.500 54.380 -0.881 25449 2947 1 6 . 1 1 69 69 MET CB C 69 31.100 31.100 32.626 -1.526 25449 2948 1 6 . 1 1 69 69 MET H H 69 8.310 8.310 7.521 0.789 25449 2949 1 6 . 1 1 70 70 ASN N N 70 117.700 117.700 119.372 -1.672 25449 2950 1 6 . 1 1 70 70 ASN HA H 70 4.370 4.370 4.582 -0.212 25449 2951 1 6 . 1 1 70 70 ASN C C 70 176.400 176.400 175.530 0.870 25449 2952 1 6 . 1 1 70 70 ASN CA C 70 56.100 56.100 55.097 1.003 25449 2953 1 6 . 1 1 70 70 ASN CB C 70 38.700 38.700 37.666 1.034 25449 2954 1 6 . 1 1 70 70 ASN H H 70 7.660 7.660 8.263 -0.603 25449 2955 1 6 . 1 1 71 71 ASN N N 71 121.500 121.500 116.763 4.737 25449 2956 1 6 . 1 1 71 71 ASN HA H 71 4.510 4.510 4.715 -0.205 25449 2957 1 6 . 1 1 71 71 ASN C C 71 173.300 173.300 174.366 -1.066 25449 2958 1 6 . 1 1 71 71 ASN CA C 71 55.800 55.800 52.979 2.821 25449 2959 1 6 . 1 1 71 71 ASN CB C 71 38.200 38.200 38.127 0.073 25449 2960 1 6 . 1 1 71 71 ASN H H 71 8.600 8.600 8.221 0.379 25449 2961 1 6 . 1 1 72 72 PHE N N 72 122.300 122.300 121.643 0.657 25449 2962 1 6 . 1 1 72 72 PHE HA H 72 4.190 4.190 4.604 -0.414 25449 2963 1 6 . 1 1 72 72 PHE C C 72 174.100 174.100 173.634 0.466 25449 2964 1 6 . 1 1 72 72 PHE CA C 72 58.700 58.700 56.761 1.939 25449 2965 1 6 . 1 1 72 72 PHE CB C 72 41.300 41.300 41.442 -0.142 25449 2966 1 6 . 1 1 72 72 PHE H H 72 7.870 7.870 7.474 0.396 25449 2967 1 6 . 1 1 73 73 GLU N N 73 126.100 126.100 128.862 -2.762 25449 2968 1 6 . 1 1 73 73 GLU HA H 73 4.230 4.230 4.530 -0.300 25449 2969 1 6 . 1 1 73 73 GLU C C 73 173.000 173.000 174.351 -1.351 25449 2970 1 6 . 1 1 73 73 GLU CA C 73 55.600 55.600 54.632 0.968 25449 2971 1 6 . 1 1 73 73 GLU CB C 73 30.300 30.300 31.310 -1.010 25449 2972 1 6 . 1 1 73 73 GLU H H 73 7.690 7.690 8.263 -0.573 25449 2973 1 6 . 1 1 74 74 LEU N N 74 128.900 128.900 127.427 1.473 25449 2974 1 6 . 1 1 74 74 LEU HA H 74 4.520 4.520 4.248 0.272 25449 2975 1 6 . 1 1 74 74 LEU C C 74 175.500 175.500 176.010 -0.510 25449 2976 1 6 . 1 1 74 74 LEU CA C 74 53.300 53.300 54.645 -1.345 25449 2977 1 6 . 1 1 74 74 LEU CB C 74 44.600 44.600 42.944 1.656 25449 2978 1 6 . 1 1 74 74 LEU H H 74 8.620 8.620 8.008 0.612 25449 2979 1 6 . 1 1 75 75 ASN N N 75 126.800 126.800 121.846 4.954 25449 2980 1 6 . 1 1 75 75 ASN HA H 75 4.210 4.210 4.469 -0.259 25449 2981 1 6 . 1 1 75 75 ASN C C 75 175.600 175.600 175.017 0.583 25449 2982 1 6 . 1 1 75 75 ASN CA C 75 53.900 53.900 54.007 -0.107 25449 2983 1 6 . 1 1 75 75 ASN CB C 75 36.900 36.900 37.068 -0.168 25449 2984 1 6 . 1 1 75 75 ASN H H 75 9.520 9.520 9.051 0.469 25449 2985 1 6 . 1 1 76 76 GLY N N 76 102.300 102.300 103.151 -0.851 25449 2986 1 6 . 1 1 76 76 GLY C C 76 173.600 173.600 173.278 0.322 25449 2987 1 6 . 1 1 76 76 GLY CA C 76 45.300 45.300 45.550 -0.250 25449 2988 1 6 . 1 1 76 76 GLY H H 76 8.500 8.500 8.444 0.056 25449 2989 1 6 . 1 1 77 77 LYS N N 77 120.800 120.800 118.722 2.078 25449 2990 1 6 . 1 1 77 77 LYS HA H 77 4.570 4.570 4.430 0.140 25449 2991 1 6 . 1 1 77 77 LYS C C 77 175.100 175.100 174.936 0.164 25449 2992 1 6 . 1 1 77 77 LYS CA C 77 54.200 54.200 54.507 -0.307 25449 2993 1 6 . 1 1 77 77 LYS CB C 77 34.500 34.500 35.072 -0.572 25449 2994 1 6 . 1 1 77 77 LYS H H 77 7.580 7.580 7.200 0.380 25449 2995 1 6 . 1 1 78 78 ARG N N 78 123.300 123.300 123.533 -0.233 25449 2996 1 6 . 1 1 78 78 ARG HA H 78 4.480 4.480 4.342 0.138 25449 2997 1 6 . 1 1 78 78 ARG C C 78 176.600 176.600 175.667 0.933 25449 2998 1 6 . 1 1 78 78 ARG CA C 78 55.300 55.300 54.608 0.692 25449 2999 1 6 . 1 1 78 78 ARG CB C 78 30.300 30.300 30.282 0.018 25449 3000 1 6 . 1 1 78 78 ARG H H 78 8.580 8.580 8.445 0.135 25449 3001 1 6 . 1 1 79 79 ILE N N 79 120.100 120.100 121.768 -1.668 25449 3002 1 6 . 1 1 79 79 ILE HA H 79 4.700 4.700 4.388 0.312 25449 3003 1 6 . 1 1 79 79 ILE C C 79 175.200 175.200 175.439 -0.239 25449 3004 1 6 . 1 1 79 79 ILE CA C 79 60.000 60.000 60.091 -0.091 25449 3005 1 6 . 1 1 79 79 ILE CB C 79 39.400 39.400 39.226 0.174 25449 3006 1 6 . 1 1 79 79 ILE H H 79 8.450 8.450 8.423 0.027 25449 3007 1 6 . 1 1 80 80 HIS N N 80 119.900 119.900 126.079 -6.179 25449 3008 1 6 . 1 1 80 80 HIS HA H 80 5.190 5.190 4.608 0.582 25449 3009 1 6 . 1 1 80 80 HIS C C 80 173.600 173.600 174.482 -0.882 25449 3010 1 6 . 1 1 80 80 HIS CA C 80 53.800 53.800 55.279 -1.479 25449 3011 1 6 . 1 1 80 80 HIS CB C 80 31.300 31.300 30.248 1.052 25449 3012 1 6 . 1 1 80 80 HIS H H 80 8.580 8.580 7.921 0.659 25449 3013 1 6 . 1 1 81 81 VAL N N 81 123.800 123.800 126.014 -2.214 25449 3014 1 6 . 1 1 81 81 VAL HA H 81 5.280 5.280 4.830 0.450 25449 3015 1 6 . 1 1 81 81 VAL C C 81 173.600 173.600 175.384 -1.784 25449 3016 1 6 . 1 1 81 81 VAL CA C 81 60.200 60.200 61.070 -0.870 25449 3017 1 6 . 1 1 81 81 VAL CB C 81 35.000 35.000 31.957 3.043 25449 3018 1 6 . 1 1 81 81 VAL H H 81 8.650 8.650 8.581 0.069 25449 3019 1 6 . 1 1 82 82 ASN N N 82 121.100 121.100 123.750 -2.650 25449 3020 1 6 . 1 1 82 82 ASN HA H 82 4.750 4.750 4.984 -0.234 25449 3021 1 6 . 1 1 82 82 ASN C C 82 174.000 174.000 173.472 0.528 25449 3022 1 6 . 1 1 82 82 ASN CA C 82 51.900 51.900 51.494 0.406 25449 3023 1 6 . 1 1 82 82 ASN CB C 82 42.900 42.900 40.800 2.100 25449 3024 1 6 . 1 1 82 82 ASN H H 82 8.890 8.890 8.030 0.860 25449 3025 1 6 . 1 1 83 83 TYR N N 83 120.400 120.400 120.341 0.059 25449 3026 1 6 . 1 1 83 83 TYR HA H 83 4.800 4.800 4.604 0.196 25449 3027 1 6 . 1 1 83 83 TYR C C 83 177.100 177.100 175.122 1.978 25449 3028 1 6 . 1 1 83 83 TYR CA C 83 59.400 59.400 58.939 0.461 25449 3029 1 6 . 1 1 83 83 TYR CB C 83 38.700 38.700 39.768 -1.068 25449 3030 1 6 . 1 1 83 83 TYR H H 83 8.480 8.480 7.848 0.632 25449 3031 1 6 . 1 1 84 84 SER N N 84 118.000 118.000 116.131 1.869 25449 3032 1 6 . 1 1 84 84 SER HA H 84 4.520 4.520 4.273 0.247 25449 3033 1 6 . 1 1 84 84 SER C C 84 174.100 174.100 172.215 1.885 25449 3034 1 6 . 1 1 84 84 SER CA C 84 57.700 57.700 56.752 0.948 25449 3035 1 6 . 1 1 84 84 SER CB C 84 64.300 64.300 65.041 -0.741 25449 3036 1 6 . 1 1 84 84 SER H H 84 9.040 9.040 7.230 1.810 25449 3037 1 6 . 1 1 85 85 LYS N N 85 125.300 125.300 121.007 4.293 25449 3038 1 6 . 1 1 85 85 LYS HA H 85 4.440 4.440 4.360 0.080 25449 3039 1 6 . 1 1 85 85 LYS C C 85 175.600 175.600 175.789 -0.189 25449 3040 1 6 . 1 1 85 85 LYS CA C 85 56.300 56.300 55.262 1.038 25449 3041 1 6 . 1 1 85 85 LYS CB C 85 33.700 33.700 33.460 0.240 25449 3042 1 6 . 1 1 85 85 LYS H H 85 8.410 8.410 8.204 0.206 25449 3043 1 7 . 1 1 -1 -1 SER N N -1 115.600 115.600 117.117 -1.517 25449 3044 1 7 . 1 1 -1 -1 SER HA H -1 4.410 4.410 4.614 -0.204 25449 3045 1 7 . 1 1 -1 -1 SER C C -1 172.000 172.000 173.929 -1.929 25449 3046 1 7 . 1 1 -1 -1 SER CA C -1 58.200 58.200 58.138 0.062 25449 3047 1 7 . 1 1 -1 -1 SER CB C -1 63.900 63.900 64.522 -0.622 25449 3048 1 7 . 1 1 -1 -1 SER H H -1 8.670 8.670 8.439 0.231 25449 3049 1 7 . 1 1 0 0 HIS N N 0 121.200 121.200 122.589 -1.389 25449 3050 1 7 . 1 1 0 0 HIS HA H 0 4.590 4.590 4.455 0.135 25449 3051 1 7 . 1 1 0 0 HIS C C 0 174.800 174.800 173.797 1.003 25449 3052 1 7 . 1 1 0 0 HIS CA C 0 56.100 56.100 57.060 -0.960 25449 3053 1 7 . 1 1 0 0 HIS CB C 0 29.900 29.900 28.731 1.169 25449 3054 1 7 . 1 1 0 0 HIS H H 0 8.730 8.730 8.656 0.074 25449 3055 1 7 . 1 1 1 1 MET N N 1 121.800 121.800 122.447 -0.647 25449 3056 1 7 . 1 1 1 1 MET HA H 1 4.370 4.370 4.589 -0.219 25449 3057 1 7 . 1 1 1 1 MET C C 1 176.300 176.300 175.759 0.541 25449 3058 1 7 . 1 1 1 1 MET CA C 1 55.700 55.700 54.341 1.359 25449 3059 1 7 . 1 1 1 1 MET CB C 1 32.800 32.800 33.420 -0.620 25449 3060 1 7 . 1 1 1 1 MET H H 1 8.450 8.450 8.313 0.137 25449 3061 1 7 . 1 1 2 2 SER N N 2 116.700 116.700 117.560 -0.860 25449 3062 1 7 . 1 1 2 2 SER HA H 2 4.370 4.370 4.498 -0.128 25449 3063 1 7 . 1 1 2 2 SER C C 2 174.200 174.200 173.205 0.995 25449 3064 1 7 . 1 1 2 2 SER CA C 2 58.400 58.400 58.350 0.050 25449 3065 1 7 . 1 1 2 2 SER CB C 2 63.800 63.800 62.026 1.774 25449 3066 1 7 . 1 1 2 2 SER H H 2 8.410 8.410 8.023 0.387 25449 3067 1 7 . 1 1 3 3 ASP N N 3 122.100 122.100 123.699 -1.599 25449 3068 1 7 . 1 1 3 3 ASP HA H 3 4.550 4.550 4.652 -0.102 25449 3069 1 7 . 1 1 3 3 ASP C C 3 176.100 176.100 173.695 2.405 25449 3070 1 7 . 1 1 3 3 ASP CA C 3 54.500 54.500 55.131 -0.631 25449 3071 1 7 . 1 1 3 3 ASP CB C 3 41.200 41.200 42.045 -0.845 25449 3072 1 7 . 1 1 3 3 ASP H H 3 8.340 8.340 8.140 0.200 25449 3073 1 7 . 1 1 4 4 ASN N N 4 119.100 119.100 119.869 -0.769 25449 3074 1 7 . 1 1 4 4 ASN HA H 4 4.580 4.580 4.869 -0.289 25449 3075 1 7 . 1 1 4 4 ASN C C 4 174.900 174.900 174.343 0.557 25449 3076 1 7 . 1 1 4 4 ASN CA C 4 53.700 53.700 53.392 0.308 25449 3077 1 7 . 1 1 4 4 ASN CB C 4 38.900 38.900 39.868 -0.968 25449 3078 1 7 . 1 1 4 4 ASN H H 4 8.420 8.420 8.325 0.095 25449 3079 1 7 . 1 1 5 5 ASN N N 5 118.400 118.400 117.955 0.445 25449 3080 1 7 . 1 1 5 5 ASN HA H 5 4.540 4.540 4.637 -0.097 25449 3081 1 7 . 1 1 5 5 ASN C C 5 173.900 173.900 174.669 -0.769 25449 3082 1 7 . 1 1 5 5 ASN CA C 5 53.200 53.200 52.866 0.334 25449 3083 1 7 . 1 1 5 5 ASN CB C 5 38.700 38.700 38.182 0.518 25449 3084 1 7 . 1 1 5 5 ASN H H 5 8.340 8.340 8.439 -0.099 25449 3085 1 7 . 1 1 6 6 ALA N N 6 122.100 122.100 123.201 -1.101 25449 3086 1 7 . 1 1 6 6 ALA HA H 6 2.740 2.740 4.196 -1.456 25449 3087 1 7 . 1 1 6 6 ALA C C 6 177.000 177.000 176.599 0.401 25449 3088 1 7 . 1 1 6 6 ALA CA C 6 52.300 52.300 52.501 -0.201 25449 3089 1 7 . 1 1 6 6 ALA CB C 6 20.000 20.000 18.596 1.404 25449 3090 1 7 . 1 1 6 6 ALA H H 6 7.590 7.590 7.377 0.213 25449 3091 1 7 . 1 1 7 7 THR N N 7 112.700 112.700 118.241 -5.541 25449 3092 1 7 . 1 1 7 7 THR HA H 7 4.390 4.390 4.436 -0.046 25449 3093 1 7 . 1 1 7 7 THR C C 7 171.700 171.700 175.140 -3.440 25449 3094 1 7 . 1 1 7 7 THR CA C 7 59.800 59.800 61.365 -1.565 25449 3095 1 7 . 1 1 7 7 THR CB C 7 70.600 70.600 70.498 0.102 25449 3096 1 7 . 1 1 7 7 THR H H 7 6.840 6.840 7.684 -0.844 25449 3097 1 7 . 1 1 8 8 ASP N N 8 114.600 114.600 123.293 -8.693 25449 3098 1 7 . 1 1 8 8 ASP HA H 8 4.490 4.490 4.343 0.147 25449 3099 1 7 . 1 1 8 8 ASP C C 8 174.300 174.300 174.756 -0.456 25449 3100 1 7 . 1 1 8 8 ASP CA C 8 53.500 53.500 55.684 -2.183 25449 3101 1 7 . 1 1 8 8 ASP CB C 8 39.800 39.800 40.193 -0.393 25449 3102 1 7 . 1 1 8 8 ASP H H 8 8.170 8.170 8.706 -0.536 25449 3103 1 7 . 1 1 9 9 ILE N N 9 117.800 117.800 118.427 -0.627 25449 3104 1 7 . 1 1 9 9 ILE HA H 9 4.810 4.810 4.931 -0.121 25449 3105 1 7 . 1 1 9 9 ILE C C 9 174.700 174.700 174.355 0.345 25449 3106 1 7 . 1 1 9 9 ILE CA C 9 60.600 60.600 60.257 0.343 25449 3107 1 7 . 1 1 9 9 ILE CB C 9 40.300 40.300 40.399 -0.099 25449 3108 1 7 . 1 1 9 9 ILE H H 9 7.890 7.890 7.402 0.488 25449 3109 1 7 . 1 1 10 10 LEU N N 10 125.300 125.300 127.072 -1.772 25449 3110 1 7 . 1 1 10 10 LEU HA H 10 4.960 4.960 4.860 0.100 25449 3111 1 7 . 1 1 10 10 LEU C C 10 176.100 176.100 175.138 0.962 25449 3112 1 7 . 1 1 10 10 LEU CA C 10 52.900 52.900 54.094 -1.194 25449 3113 1 7 . 1 1 10 10 LEU CB C 10 43.100 43.100 44.637 -1.537 25449 3114 1 7 . 1 1 10 10 LEU H H 10 9.370 9.370 8.204 1.166 25449 3115 1 7 . 1 1 11 11 PHE N N 11 124.300 124.300 126.989 -2.689 25449 3116 1 7 . 1 1 11 11 PHE HA H 11 4.670 4.670 4.768 -0.098 25449 3117 1 7 . 1 1 11 11 PHE C C 11 173.400 173.400 173.981 -0.581 25449 3118 1 7 . 1 1 11 11 PHE CA C 11 57.000 57.000 57.940 -0.940 25449 3119 1 7 . 1 1 11 11 PHE CB C 11 40.700 40.700 40.927 -0.227 25449 3120 1 7 . 1 1 11 11 PHE H H 11 9.310 9.310 8.646 0.664 25449 3121 1 7 . 1 1 12 12 VAL N N 12 128.300 128.300 125.601 2.699 25449 3122 1 7 . 1 1 12 12 VAL HA H 12 4.420 4.420 4.187 0.233 25449 3123 1 7 . 1 1 12 12 VAL C C 12 173.900 173.900 174.338 -0.438 25449 3124 1 7 . 1 1 12 12 VAL CA C 12 60.200 60.200 60.245 -0.045 25449 3125 1 7 . 1 1 12 12 VAL CB C 12 33.100 33.100 35.362 -2.262 25449 3126 1 7 . 1 1 12 12 VAL H H 12 8.380 8.380 7.893 0.487 25449 3127 1 7 . 1 1 13 13 GLY N N 13 111.800 111.800 110.816 0.984 25449 3128 1 7 . 1 1 13 13 GLY C C 13 173.800 173.800 173.763 0.037 25449 3129 1 7 . 1 1 13 13 GLY CA C 13 43.400 43.400 43.365 0.035 25449 3130 1 7 . 1 1 13 13 GLY H H 13 9.150 9.150 8.411 0.739 25449 3131 1 7 . 1 1 14 14 GLY N N 14 107.600 107.600 107.663 -0.063 25449 3132 1 7 . 1 1 14 14 GLY C C 14 175.400 175.400 173.937 1.463 25449 3133 1 7 . 1 1 14 14 GLY CA C 14 45.800 45.800 44.999 0.801 25449 3134 1 7 . 1 1 14 14 GLY H H 14 8.260 8.260 8.437 -0.177 25449 3135 1 7 . 1 1 15 15 ILE N N 15 111.100 111.100 119.715 -8.615 25449 3136 1 7 . 1 1 15 15 ILE HA H 15 4.040 4.040 4.372 -0.332 25449 3137 1 7 . 1 1 15 15 ILE C C 15 175.500 175.500 175.078 0.422 25449 3138 1 7 . 1 1 15 15 ILE CA C 15 60.500 60.500 58.577 1.923 25449 3139 1 7 . 1 1 15 15 ILE CB C 15 38.500 38.500 40.147 -1.647 25449 3140 1 7 . 1 1 15 15 ILE H H 15 6.930 6.930 7.943 -1.013 25449 3141 1 7 . 1 1 16 16 ASP N N 16 122.800 122.800 121.133 1.667 25449 3142 1 7 . 1 1 16 16 ASP HA H 16 4.580 4.580 4.546 0.034 25449 3143 1 7 . 1 1 16 16 ASP C C 16 177.200 177.200 176.663 0.537 25449 3144 1 7 . 1 1 16 16 ASP CA C 16 53.700 53.700 53.896 -0.196 25449 3145 1 7 . 1 1 16 16 ASP CB C 16 42.500 42.500 42.437 0.063 25449 3146 1 7 . 1 1 16 16 ASP H H 16 8.320 8.320 8.585 -0.265 25449 3147 1 7 . 1 1 17 17 GLU N N 17 119.600 119.600 118.244 1.356 25449 3148 1 7 . 1 1 17 17 GLU HA H 17 4.140 4.140 4.261 -0.121 25449 3149 1 7 . 1 1 17 17 GLU C C 17 176.800 176.800 175.864 0.936 25449 3150 1 7 . 1 1 17 17 GLU CA C 17 58.600 58.600 56.609 1.991 25449 3151 1 7 . 1 1 17 17 GLU CB C 17 29.800 29.800 28.574 1.226 25449 3152 1 7 . 1 1 17 17 GLU H H 17 8.830 8.830 8.740 0.090 25449 3153 1 7 . 1 1 18 18 THR N N 18 111.300 111.300 114.434 -3.134 25449 3154 1 7 . 1 1 18 18 THR HA H 18 4.250 4.250 4.549 -0.299 25449 3155 1 7 . 1 1 18 18 THR C C 18 175.200 175.200 174.178 1.022 25449 3156 1 7 . 1 1 18 18 THR CA C 18 62.600 62.600 61.347 1.253 25449 3157 1 7 . 1 1 18 18 THR CB C 18 69.600 69.600 69.334 0.266 25449 3158 1 7 . 1 1 18 18 THR H H 18 8.740 8.740 7.653 1.087 25449 3159 1 7 . 1 1 19 19 ILE N N 19 123.300 123.300 118.750 4.550 25449 3160 1 7 . 1 1 19 19 ILE HA H 19 3.880 3.880 4.386 -0.506 25449 3161 1 7 . 1 1 19 19 ILE C C 19 174.300 174.300 174.071 0.229 25449 3162 1 7 . 1 1 19 19 ILE CA C 19 59.900 59.900 58.429 1.471 25449 3163 1 7 . 1 1 19 19 ILE CB C 19 35.600 35.600 39.080 -3.480 25449 3164 1 7 . 1 1 19 19 ILE H H 19 7.220 7.220 7.446 -0.226 25449 3165 1 7 . 1 1 20 20 ASP N N 20 125.600 125.600 123.161 2.439 25449 3166 1 7 . 1 1 20 20 ASP HA H 20 4.640 4.640 4.912 -0.272 25449 3167 1 7 . 1 1 20 20 ASP C C 20 175.300 175.300 176.526 -1.226 25449 3168 1 7 . 1 1 20 20 ASP CA C 20 51.500 51.500 53.046 -1.546 25449 3169 1 7 . 1 1 20 20 ASP CB C 20 43.000 43.000 43.980 -0.980 25449 3170 1 7 . 1 1 20 20 ASP H H 20 7.790 7.790 7.946 -0.156 25449 3171 1 7 . 1 1 21 21 GLU N N 21 118.400 118.400 122.149 -3.749 25449 3172 1 7 . 1 1 21 21 GLU HA H 21 3.630 3.630 3.916 -0.286 25449 3173 1 7 . 1 1 21 21 GLU C C 21 177.900 177.900 178.360 -0.460 25449 3174 1 7 . 1 1 21 21 GLU CA C 21 60.900 60.900 60.669 0.231 25449 3175 1 7 . 1 1 21 21 GLU CB C 21 29.200 29.200 29.932 -0.732 25449 3176 1 7 . 1 1 21 21 GLU H H 21 9.220 9.220 8.991 0.229 25449 3177 1 7 . 1 1 22 22 LYS N N 22 119.700 119.700 117.777 1.923 25449 3178 1 7 . 1 1 22 22 LYS HA H 22 4.060 4.060 4.235 -0.175 25449 3179 1 7 . 1 1 22 22 LYS C C 22 178.500 178.500 178.782 -0.282 25449 3180 1 7 . 1 1 22 22 LYS CA C 22 59.300 59.300 58.772 0.528 25449 3181 1 7 . 1 1 22 22 LYS CB C 22 31.800 31.800 31.767 0.033 25449 3182 1 7 . 1 1 22 22 LYS H H 22 8.040 8.040 8.512 -0.472 25449 3183 1 7 . 1 1 23 23 SER N N 23 114.900 114.900 115.894 -0.994 25449 3184 1 7 . 1 1 23 23 SER HA H 23 4.300 4.300 4.275 0.025 25449 3185 1 7 . 1 1 23 23 SER C C 23 177.600 177.600 176.381 1.219 25449 3186 1 7 . 1 1 23 23 SER CA C 23 61.800 61.800 61.460 0.340 25449 3187 1 7 . 1 1 23 23 SER CB C 23 62.900 62.900 62.778 0.122 25449 3188 1 7 . 1 1 23 23 SER H H 23 8.240 8.240 8.110 0.130 25449 3189 1 7 . 1 1 24 24 LEU N N 24 118.800 118.800 121.671 -2.871 25449 3190 1 7 . 1 1 24 24 LEU HA H 24 4.180 4.180 4.173 0.007 25449 3191 1 7 . 1 1 24 24 LEU C C 24 178.700 178.700 178.762 -0.062 25449 3192 1 7 . 1 1 24 24 LEU CA C 24 57.300 57.300 56.934 0.365 25449 3193 1 7 . 1 1 24 24 LEU CB C 24 42.100 42.100 41.556 0.544 25449 3194 1 7 . 1 1 24 24 LEU H H 24 7.750 7.750 7.535 0.215 25449 3195 1 7 . 1 1 25 25 TYR N N 25 123.200 123.200 121.410 1.790 25449 3196 1 7 . 1 1 25 25 TYR HA H 25 3.630 3.630 4.083 -0.453 25449 3197 1 7 . 1 1 25 25 TYR C C 25 178.600 178.600 177.296 1.304 25449 3198 1 7 . 1 1 25 25 TYR CA C 25 63.200 63.200 60.843 2.357 25449 3199 1 7 . 1 1 25 25 TYR CB C 25 38.200 38.200 38.353 -0.153 25449 3200 1 7 . 1 1 25 25 TYR H H 25 8.970 8.970 7.587 1.383 25449 3201 1 7 . 1 1 26 26 ASP N N 26 119.800 119.800 119.048 0.752 25449 3202 1 7 . 1 1 26 26 ASP HA H 26 4.270 4.270 4.479 -0.208 25449 3203 1 7 . 1 1 26 26 ASP C C 26 177.900 177.900 178.689 -0.789 25449 3204 1 7 . 1 1 26 26 ASP CA C 26 57.700 57.700 57.729 -0.029 25449 3205 1 7 . 1 1 26 26 ASP CB C 26 40.000 40.000 40.916 -0.916 25449 3206 1 7 . 1 1 26 26 ASP H H 26 8.510 8.510 7.857 0.653 25449 3207 1 7 . 1 1 27 27 ILE N N 27 114.700 114.700 119.967 -5.267 25449 3208 1 7 . 1 1 27 27 ILE HA H 27 3.960 3.960 3.876 0.084 25449 3209 1 7 . 1 1 27 27 ILE C C 27 177.700 177.700 177.688 0.012 25449 3210 1 7 . 1 1 27 27 ILE CA C 27 63.300 63.300 64.931 -1.631 25449 3211 1 7 . 1 1 27 27 ILE CB C 27 39.000 39.000 38.260 0.740 25449 3212 1 7 . 1 1 27 27 ILE H H 27 7.320 7.320 7.575 -0.255 25449 3213 1 7 . 1 1 28 28 PHE N N 28 116.900 116.900 117.507 -0.607 25449 3214 1 7 . 1 1 28 28 PHE HA H 28 4.370 4.370 4.562 -0.192 25449 3215 1 7 . 1 1 28 28 PHE C C 28 179.900 179.900 176.954 2.946 25449 3216 1 7 . 1 1 28 28 PHE CA C 28 62.300 62.300 58.829 3.471 25449 3217 1 7 . 1 1 28 28 PHE CB C 28 37.300 37.300 38.531 -1.231 25449 3218 1 7 . 1 1 28 28 PHE H H 28 8.650 8.650 8.037 0.613 25449 3219 1 7 . 1 1 29 29 SER N N 29 120.100 120.100 112.660 7.440 25449 3220 1 7 . 1 1 29 29 SER HA H 29 4.410 4.410 4.769 -0.359 25449 3221 1 7 . 1 1 29 29 SER C C 29 175.600 175.600 175.373 0.227 25449 3222 1 7 . 1 1 29 29 SER CA C 29 61.300 61.300 59.385 1.915 25449 3223 1 7 . 1 1 29 29 SER CB C 29 62.200 62.200 62.971 -0.771 25449 3224 1 7 . 1 1 29 29 SER H H 29 8.880 8.880 7.907 0.973 25449 3225 1 7 . 1 1 30 30 SER N N 30 116.200 116.200 117.169 -0.969 25449 3226 1 7 . 1 1 30 30 SER HA H 30 3.940 3.940 4.342 -0.402 25449 3227 1 7 . 1 1 30 30 SER C C 30 174.900 174.900 175.648 -0.748 25449 3228 1 7 . 1 1 30 30 SER CA C 30 60.400 60.400 60.749 -0.349 25449 3229 1 7 . 1 1 30 30 SER CB C 30 62.400 62.400 63.364 -0.964 25449 3230 1 7 . 1 1 30 30 SER H H 30 7.270 7.270 8.057 -0.787 25449 3231 1 7 . 1 1 31 31 PHE N N 31 115.600 115.600 121.750 -6.150 25449 3232 1 7 . 1 1 31 31 PHE HA H 31 4.280 4.280 4.623 -0.343 25449 3233 1 7 . 1 1 31 31 PHE C C 31 174.100 174.100 176.236 -2.136 25449 3234 1 7 . 1 1 31 31 PHE CA C 31 58.900 58.900 58.639 0.261 25449 3235 1 7 . 1 1 31 31 PHE CB C 31 39.300 39.300 40.077 -0.777 25449 3236 1 7 . 1 1 31 31 PHE H H 31 6.980 6.980 8.068 -1.088 25449 3237 1 7 . 1 1 32 32 GLY N N 32 104.900 104.900 107.320 -2.420 25449 3238 1 7 . 1 1 32 32 GLY C C 32 171.600 171.600 172.705 -1.105 25449 3239 1 7 . 1 1 32 32 GLY CA C 32 44.300 44.300 44.531 -0.231 25449 3240 1 7 . 1 1 32 32 GLY H H 32 7.300 7.300 7.635 -0.335 25449 3241 1 7 . 1 1 33 33 ASP N N 33 116.100 116.100 126.202 -10.102 25449 3242 1 7 . 1 1 33 33 ASP HA H 33 4.510 4.510 4.578 -0.068 25449 3243 1 7 . 1 1 33 33 ASP C C 33 176.800 176.800 174.474 2.326 25449 3244 1 7 . 1 1 33 33 ASP CA C 33 55.400 55.400 55.594 -0.194 25449 3245 1 7 . 1 1 33 33 ASP CB C 33 40.600 40.600 42.132 -1.532 25449 3246 1 7 . 1 1 33 33 ASP H H 33 8.120 8.120 8.462 -0.342 25449 3247 1 7 . 1 1 34 34 ILE N N 34 126.400 126.400 119.515 6.885 25449 3248 1 7 . 1 1 34 34 ILE HA H 34 3.850 3.850 4.070 -0.220 25449 3249 1 7 . 1 1 34 34 ILE C C 34 176.200 176.200 176.291 -0.091 25449 3250 1 7 . 1 1 34 34 ILE CA C 34 60.200 60.200 58.359 1.841 25449 3251 1 7 . 1 1 34 34 ILE CB C 34 39.900 39.900 38.822 1.078 25449 3252 1 7 . 1 1 34 34 ILE H H 34 8.670 8.670 8.252 0.418 25449 3253 1 7 . 1 1 35 35 ARG N N 35 128.900 128.900 127.116 1.784 25449 3254 1 7 . 1 1 35 35 ARG HA H 35 4.160 4.160 4.235 -0.075 25449 3255 1 7 . 1 1 35 35 ARG C C 35 175.600 175.600 176.203 -0.603 25449 3256 1 7 . 1 1 35 35 ARG CA C 35 57.500 57.500 56.172 1.328 25449 3257 1 7 . 1 1 35 35 ARG CB C 35 31.700 31.700 30.846 0.854 25449 3258 1 7 . 1 1 35 35 ARG H H 35 9.320 9.320 8.550 0.770 25449 3259 1 7 . 1 1 36 36 ASN N N 36 114.300 114.300 115.658 -1.358 25449 3260 1 7 . 1 1 36 36 ASN HA H 36 4.710 4.710 4.814 -0.104 25449 3261 1 7 . 1 1 36 36 ASN C C 36 172.000 172.000 172.923 -0.923 25449 3262 1 7 . 1 1 36 36 ASN CA C 36 53.500 53.500 53.227 0.273 25449 3263 1 7 . 1 1 36 36 ASN CB C 36 42.600 42.600 40.792 1.808 25449 3264 1 7 . 1 1 36 36 ASN H H 36 7.620 7.620 8.041 -0.421 25449 3265 1 7 . 1 1 37 37 ILE N N 37 122.700 122.700 121.969 0.731 25449 3266 1 7 . 1 1 37 37 ILE HA H 37 4.770 4.770 4.437 0.333 25449 3267 1 7 . 1 1 37 37 ILE C C 37 173.300 173.300 174.290 -0.990 25449 3268 1 7 . 1 1 37 37 ILE CA C 37 60.600 60.600 60.877 -0.277 25449 3269 1 7 . 1 1 37 37 ILE CB C 37 41.200 41.200 40.473 0.727 25449 3270 1 7 . 1 1 37 37 ILE H H 37 8.030 8.030 8.505 -0.475 25449 3271 1 7 . 1 1 38 38 GLU N N 38 126.700 126.700 128.427 -1.727 25449 3272 1 7 . 1 1 38 38 GLU HA H 38 4.660 4.660 4.701 -0.041 25449 3273 1 7 . 1 1 38 38 GLU C C 38 174.800 174.800 174.301 0.499 25449 3274 1 7 . 1 1 38 38 GLU CA C 38 54.400 54.400 55.518 -1.118 25449 3275 1 7 . 1 1 38 38 GLU CB C 38 33.400 33.400 31.412 1.988 25449 3276 1 7 . 1 1 38 38 GLU H H 38 8.870 8.870 8.581 0.289 25449 3277 1 7 . 1 1 39 39 VAL N N 39 126.400 126.400 127.076 -0.676 25449 3278 1 7 . 1 1 39 39 VAL CA C 39 58.700 58.700 58.978 -0.278 25449 3279 1 7 . 1 1 39 39 VAL CB C 39 32.600 32.600 33.150 -0.550 25449 3280 1 7 . 1 1 39 39 VAL H H 39 8.970 8.970 8.509 0.461 25449 3281 1 7 . 1 1 40 40 PRO HA H 40 4.230 4.230 4.338 -0.108 25449 3282 1 7 . 1 1 40 40 PRO C C 40 176.300 176.300 175.273 1.027 25449 3283 1 7 . 1 1 40 40 PRO CA C 40 63.300 63.300 63.073 0.227 25449 3284 1 7 . 1 1 40 40 PRO CB C 40 32.500 32.500 31.782 0.718 25449 3285 1 7 . 1 1 41 41 LEU N N 41 120.700 120.700 125.251 -4.551 25449 3286 1 7 . 1 1 41 41 LEU HA H 41 4.520 4.520 4.546 -0.026 25449 3287 1 7 . 1 1 41 41 LEU C C 41 177.900 177.900 175.978 1.922 25449 3288 1 7 . 1 1 41 41 LEU CA C 41 53.100 53.100 52.400 0.700 25449 3289 1 7 . 1 1 41 41 LEU CB C 41 44.300 44.300 42.915 1.385 25449 3290 1 7 . 1 1 41 41 LEU H H 41 8.520 8.520 8.258 0.262 25449 3291 1 7 . 1 1 42 42 ASN N N 42 121.400 121.400 123.818 -2.418 25449 3292 1 7 . 1 1 42 42 ASN HA H 42 4.560 4.560 4.754 -0.194 25449 3293 1 7 . 1 1 42 42 ASN C C 42 176.700 176.700 176.386 0.314 25449 3294 1 7 . 1 1 42 42 ASN CA C 42 52.900 52.900 52.989 -0.089 25449 3295 1 7 . 1 1 42 42 ASN CB C 42 39.000 39.000 40.346 -1.346 25449 3296 1 7 . 1 1 42 42 ASN H H 42 8.740 8.740 8.233 0.507 25449 3297 1 7 . 1 1 43 43 MET N N 43 125.500 125.500 125.040 0.460 25449 3298 1 7 . 1 1 43 43 MET HA H 43 4.210 4.210 4.370 -0.160 25449 3299 1 7 . 1 1 43 43 MET C C 43 177.200 177.200 176.287 0.913 25449 3300 1 7 . 1 1 43 43 MET CA C 43 57.100 57.100 57.583 -0.483 25449 3301 1 7 . 1 1 43 43 MET CB C 43 31.600 31.600 32.363 -0.763 25449 3302 1 7 . 1 1 43 43 MET H H 43 9.080 9.080 8.846 0.234 25449 3303 1 7 . 1 1 44 44 THR N N 44 114.400 114.400 113.866 0.534 25449 3304 1 7 . 1 1 44 44 THR HA H 44 4.160 4.160 4.311 -0.151 25449 3305 1 7 . 1 1 44 44 THR C C 44 175.900 175.900 175.929 -0.029 25449 3306 1 7 . 1 1 44 44 THR CA C 44 65.200 65.200 64.327 0.873 25449 3307 1 7 . 1 1 44 44 THR CB C 44 68.700 68.700 69.161 -0.461 25449 3308 1 7 . 1 1 44 44 THR H H 44 8.590 8.590 8.042 0.548 25449 3309 1 7 . 1 1 45 45 THR N N 45 110.300 110.300 112.449 -2.149 25449 3310 1 7 . 1 1 45 45 THR HA H 45 4.160 4.160 4.521 -0.361 25449 3311 1 7 . 1 1 45 45 THR C C 45 175.500 175.500 174.178 1.322 25449 3312 1 7 . 1 1 45 45 THR CA C 45 62.000 62.000 60.941 1.059 25449 3313 1 7 . 1 1 45 45 THR CB C 45 70.000 70.000 69.965 0.035 25449 3314 1 7 . 1 1 45 45 THR H H 45 7.610 7.610 7.684 -0.074 25449 3315 1 7 . 1 1 46 46 LYS N N 46 115.700 115.700 120.522 -4.822 25449 3316 1 7 . 1 1 46 46 LYS HA H 46 3.720 3.720 3.907 -0.187 25449 3317 1 7 . 1 1 46 46 LYS C C 46 174.600 174.600 174.108 0.492 25449 3318 1 7 . 1 1 46 46 LYS CA C 46 57.600 57.600 57.292 0.307 25449 3319 1 7 . 1 1 46 46 LYS CB C 46 28.900 28.900 30.953 -2.053 25449 3320 1 7 . 1 1 46 46 LYS H H 46 8.460 8.460 8.094 0.366 25449 3321 1 7 . 1 1 47 47 LYS N N 47 117.100 117.100 121.133 -4.033 25449 3322 1 7 . 1 1 47 47 LYS HA H 47 4.680 4.680 4.595 0.085 25449 3323 1 7 . 1 1 47 47 LYS C C 47 176.300 176.300 176.633 -0.333 25449 3324 1 7 . 1 1 47 47 LYS CA C 47 54.000 54.000 53.553 0.447 25449 3325 1 7 . 1 1 47 47 LYS CB C 47 35.100 35.100 34.884 0.216 25449 3326 1 7 . 1 1 47 47 LYS H H 47 7.610 7.610 7.628 -0.018 25449 3327 1 7 . 1 1 48 48 ASN N N 48 117.700 117.700 120.880 -3.180 25449 3328 1 7 . 1 1 48 48 ASN HA H 48 4.700 4.700 4.857 -0.158 25449 3329 1 7 . 1 1 48 48 ASN C C 48 174.000 174.000 175.588 -1.588 25449 3330 1 7 . 1 1 48 48 ASN CA C 48 53.600 53.600 52.697 0.903 25449 3331 1 7 . 1 1 48 48 ASN CB C 48 37.700 37.700 38.885 -1.185 25449 3332 1 7 . 1 1 48 48 ASN H H 48 8.740 8.740 8.823 -0.083 25449 3333 1 7 . 1 1 49 49 ARG N N 49 116.800 116.800 116.123 0.677 25449 3334 1 7 . 1 1 49 49 ARG HA H 49 4.350 4.350 3.956 0.394 25449 3335 1 7 . 1 1 49 49 ARG C C 49 177.500 177.500 176.472 1.028 25449 3336 1 7 . 1 1 49 49 ARG CA C 49 55.600 55.600 56.653 -1.052 25449 3337 1 7 . 1 1 49 49 ARG CB C 49 31.600 31.600 27.082 4.518 25449 3338 1 7 . 1 1 49 49 ARG H H 49 8.530 8.530 8.414 0.116 25449 3339 1 7 . 1 1 50 50 GLY N N 50 108.300 108.300 105.566 2.734 25449 3340 1 7 . 1 1 50 50 GLY C C 50 173.500 173.500 173.241 0.259 25449 3341 1 7 . 1 1 50 50 GLY CA C 50 45.800 45.800 45.103 0.697 25449 3342 1 7 . 1 1 50 50 GLY H H 50 8.900 8.900 8.766 0.134 25449 3343 1 7 . 1 1 51 51 PHE N N 51 113.900 113.900 116.239 -2.339 25449 3344 1 7 . 1 1 51 51 PHE HA H 51 5.470 5.470 4.675 0.795 25449 3345 1 7 . 1 1 51 51 PHE C C 51 172.000 172.000 172.374 -0.374 25449 3346 1 7 . 1 1 51 51 PHE CA C 51 55.000 55.000 55.717 -0.717 25449 3347 1 7 . 1 1 51 51 PHE CB C 51 42.700 42.700 40.874 1.826 25449 3348 1 7 . 1 1 51 51 PHE H H 51 6.910 6.910 7.332 -0.422 25449 3349 1 7 . 1 1 52 52 ALA N N 52 120.500 120.500 124.540 -4.040 25449 3350 1 7 . 1 1 52 52 ALA HA H 52 4.630 4.630 4.386 0.244 25449 3351 1 7 . 1 1 52 52 ALA C C 52 173.900 173.900 174.606 -0.706 25449 3352 1 7 . 1 1 52 52 ALA CA C 52 50.200 50.200 50.303 -0.103 25449 3353 1 7 . 1 1 52 52 ALA CB C 52 25.100 25.100 22.416 2.684 25449 3354 1 7 . 1 1 52 52 ALA H H 52 8.810 8.810 8.179 0.631 25449 3355 1 7 . 1 1 53 53 PHE N N 53 115.000 115.000 119.906 -4.906 25449 3356 1 7 . 1 1 53 53 PHE HA H 53 5.660 5.660 4.854 0.806 25449 3357 1 7 . 1 1 53 53 PHE C C 53 175.600 175.600 174.851 0.749 25449 3358 1 7 . 1 1 53 53 PHE CA C 53 56.200 56.200 56.078 0.122 25449 3359 1 7 . 1 1 53 53 PHE CB C 53 42.400 42.400 41.302 1.098 25449 3360 1 7 . 1 1 53 53 PHE H H 53 8.730 8.730 8.019 0.711 25449 3361 1 7 . 1 1 54 54 VAL N N 54 122.300 122.300 122.014 0.286 25449 3362 1 7 . 1 1 54 54 VAL HA H 54 4.100 4.100 4.288 -0.188 25449 3363 1 7 . 1 1 54 54 VAL C C 54 173.000 173.000 174.275 -1.275 25449 3364 1 7 . 1 1 54 54 VAL CA C 54 61.700 61.700 61.484 0.215 25449 3365 1 7 . 1 1 54 54 VAL CB C 54 34.400 34.400 34.784 -0.384 25449 3366 1 7 . 1 1 54 54 VAL H H 54 9.060 9.060 8.371 0.689 25449 3367 1 7 . 1 1 55 55 GLU N N 55 127.300 127.300 127.308 -0.008 25449 3368 1 7 . 1 1 55 55 GLU HA H 55 5.160 5.160 4.817 0.343 25449 3369 1 7 . 1 1 55 55 GLU C C 55 175.900 175.900 175.647 0.253 25449 3370 1 7 . 1 1 55 55 GLU CA C 55 54.000 54.000 54.570 -0.570 25449 3371 1 7 . 1 1 55 55 GLU CB C 55 31.700 31.700 31.419 0.281 25449 3372 1 7 . 1 1 55 55 GLU H H 55 8.860 8.860 8.299 0.561 25449 3373 1 7 . 1 1 56 56 TYR N N 56 127.500 127.500 122.984 4.516 25449 3374 1 7 . 1 1 56 56 TYR HA H 56 4.520 4.520 4.429 0.091 25449 3375 1 7 . 1 1 56 56 TYR C C 56 175.000 175.000 176.165 -1.165 25449 3376 1 7 . 1 1 56 56 TYR CA C 56 59.700 59.700 59.663 0.037 25449 3377 1 7 . 1 1 56 56 TYR CB C 56 40.200 40.200 39.930 0.270 25449 3378 1 7 . 1 1 56 56 TYR H H 56 9.470 9.470 8.748 0.722 25449 3379 1 7 . 1 1 57 57 VAL N N 57 119.200 119.200 118.916 0.284 25449 3380 1 7 . 1 1 57 57 VAL HA H 57 3.570 3.570 4.077 -0.507 25449 3381 1 7 . 1 1 57 57 VAL C C 57 177.000 177.000 175.658 1.342 25449 3382 1 7 . 1 1 57 57 VAL CA C 57 66.300 66.300 63.861 2.439 25449 3383 1 7 . 1 1 57 57 VAL CB C 57 32.000 32.000 32.703 -0.703 25449 3384 1 7 . 1 1 57 57 VAL H H 57 7.800 7.800 8.089 -0.289 25449 3385 1 7 . 1 1 58 58 GLU N N 58 118.500 118.500 119.488 -0.988 25449 3386 1 7 . 1 1 58 58 GLU HA H 58 4.780 4.780 4.599 0.181 25449 3387 1 7 . 1 1 58 58 GLU C C 58 177.500 177.500 176.530 0.970 25449 3388 1 7 . 1 1 58 58 GLU CA C 58 53.800 53.800 55.178 -1.377 25449 3389 1 7 . 1 1 58 58 GLU CB C 58 30.500 30.500 30.506 -0.006 25449 3390 1 7 . 1 1 58 58 GLU H H 58 9.530 9.530 8.116 1.414 25449 3391 1 7 . 1 1 59 59 VAL N N 59 125.200 125.200 124.868 0.332 25449 3392 1 7 . 1 1 59 59 VAL HA H 59 3.530 3.530 3.868 -0.338 25449 3393 1 7 . 1 1 59 59 VAL C C 59 177.600 177.600 176.984 0.616 25449 3394 1 7 . 1 1 59 59 VAL CA C 59 66.100 66.100 65.085 1.015 25449 3395 1 7 . 1 1 59 59 VAL CB C 59 31.700 31.700 32.250 -0.550 25449 3396 1 7 . 1 1 59 59 VAL H H 59 8.650 8.650 8.668 -0.018 25449 3397 1 7 . 1 1 60 60 ASP N N 60 118.500 118.500 119.487 -0.987 25449 3398 1 7 . 1 1 60 60 ASP HA H 60 4.220 4.220 4.504 -0.284 25449 3399 1 7 . 1 1 60 60 ASP C C 60 178.300 178.300 177.834 0.466 25449 3400 1 7 . 1 1 60 60 ASP CA C 60 57.600 57.600 57.390 0.210 25449 3401 1 7 . 1 1 60 60 ASP CB C 60 40.500 40.500 40.522 -0.022 25449 3402 1 7 . 1 1 60 60 ASP H H 60 8.970 8.970 8.574 0.396 25449 3403 1 7 . 1 1 61 61 ASP N N 61 119.900 119.900 120.230 -0.330 25449 3404 1 7 . 1 1 61 61 ASP HA H 61 4.360 4.360 4.522 -0.162 25449 3405 1 7 . 1 1 61 61 ASP C C 61 176.800 176.800 178.404 -1.604 25449 3406 1 7 . 1 1 61 61 ASP CA C 61 56.900 56.900 57.543 -0.643 25449 3407 1 7 . 1 1 61 61 ASP CB C 61 39.800 39.800 40.615 -0.815 25449 3408 1 7 . 1 1 61 61 ASP H H 61 6.920 6.920 8.572 -1.652 25449 3409 1 7 . 1 1 62 62 ALA N N 62 122.700 122.700 122.153 0.547 25449 3410 1 7 . 1 1 62 62 ALA HA H 62 3.380 3.380 3.329 0.051 25449 3411 1 7 . 1 1 62 62 ALA C C 62 171.600 171.600 179.231 -7.631 25449 3412 1 7 . 1 1 62 62 ALA CA C 62 55.100 55.100 55.141 -0.041 25449 3413 1 7 . 1 1 62 62 ALA CB C 62 18.200 18.200 18.236 -0.036 25449 3414 1 7 . 1 1 62 62 ALA H H 62 6.910 6.910 7.696 -0.786 25449 3415 1 7 . 1 1 63 63 LYS N N 63 116.200 116.200 118.655 -2.455 25449 3416 1 7 . 1 1 63 63 LYS HA H 63 4.190 4.190 3.879 0.311 25449 3417 1 7 . 1 1 63 63 LYS C C 63 179.200 179.200 179.185 0.015 25449 3418 1 7 . 1 1 63 63 LYS CA C 63 59.300 59.300 59.529 -0.229 25449 3419 1 7 . 1 1 63 63 LYS CB C 63 32.600 32.600 31.850 0.750 25449 3420 1 7 . 1 1 63 63 LYS H H 63 8.020 8.020 8.065 -0.045 25449 3421 1 7 . 1 1 64 64 HIS N N 64 117.400 117.400 117.284 0.116 25449 3422 1 7 . 1 1 64 64 HIS HA H 64 4.310 4.310 4.339 -0.029 25449 3423 1 7 . 1 1 64 64 HIS CA C 64 58.000 58.000 59.185 -1.185 25449 3424 1 7 . 1 1 64 64 HIS CB C 64 29.100 29.100 29.585 -0.485 25449 3425 1 7 . 1 1 64 64 HIS H H 64 7.460 7.460 7.551 -0.091 25449 3426 1 7 . 1 1 65 65 ALA N N 65 123.700 123.700 122.553 1.147 25449 3427 1 7 . 1 1 65 65 ALA HA H 65 2.170 2.170 3.914 -1.744 25449 3428 1 7 . 1 1 65 65 ALA C C 65 178.700 178.700 178.731 -0.031 25449 3429 1 7 . 1 1 65 65 ALA CA C 65 54.800 54.800 54.702 0.098 25449 3430 1 7 . 1 1 65 65 ALA CB C 65 19.400 19.400 18.578 0.822 25449 3431 1 7 . 1 1 65 65 ALA H H 65 8.190 8.190 7.725 0.465 25449 3432 1 7 . 1 1 66 66 LEU N N 66 119.800 119.800 118.324 1.476 25449 3433 1 7 . 1 1 66 66 LEU HA H 66 3.430 3.430 4.039 -0.609 25449 3434 1 7 . 1 1 66 66 LEU C C 66 178.700 178.700 179.109 -0.409 25449 3435 1 7 . 1 1 66 66 LEU CA C 66 59.700 59.700 57.589 2.111 25449 3436 1 7 . 1 1 66 66 LEU CB C 66 41.100 41.100 41.599 -0.499 25449 3437 1 7 . 1 1 66 66 LEU H H 66 8.340 8.340 7.464 0.876 25449 3438 1 7 . 1 1 67 67 TYR N N 67 116.200 116.200 120.285 -4.085 25449 3439 1 7 . 1 1 67 67 TYR HA H 67 4.010 4.010 4.107 -0.097 25449 3440 1 7 . 1 1 67 67 TYR C C 67 177.700 177.700 177.643 0.057 25449 3441 1 7 . 1 1 67 67 TYR CA C 67 60.500 60.500 62.359 -1.859 25449 3442 1 7 . 1 1 67 67 TYR CB C 67 38.100 38.100 38.458 -0.358 25449 3443 1 7 . 1 1 67 67 TYR H H 67 7.760 7.760 7.835 -0.075 25449 3444 1 7 . 1 1 68 68 ASN N N 68 113.900 113.900 116.751 -2.851 25449 3445 1 7 . 1 1 68 68 ASN HA H 68 4.430 4.430 4.580 -0.150 25449 3446 1 7 . 1 1 68 68 ASN C C 68 176.400 176.400 176.190 0.210 25449 3447 1 7 . 1 1 68 68 ASN CA C 68 55.600 55.600 55.232 0.368 25449 3448 1 7 . 1 1 68 68 ASN CB C 68 41.400 41.400 38.543 2.857 25449 3449 1 7 . 1 1 68 68 ASN H H 68 7.480 7.480 7.886 -0.406 25449 3450 1 7 . 1 1 69 69 MET N N 69 114.900 114.900 115.883 -0.983 25449 3451 1 7 . 1 1 69 69 MET HA H 69 4.760 4.760 4.506 0.254 25449 3452 1 7 . 1 1 69 69 MET C C 69 177.000 177.000 176.456 0.544 25449 3453 1 7 . 1 1 69 69 MET CA C 69 53.500 53.500 53.643 -0.143 25449 3454 1 7 . 1 1 69 69 MET CB C 69 31.100 31.100 32.657 -1.557 25449 3455 1 7 . 1 1 69 69 MET H H 69 8.310 8.310 7.400 0.910 25449 3456 1 7 . 1 1 70 70 ASN N N 70 117.700 117.700 118.018 -0.318 25449 3457 1 7 . 1 1 70 70 ASN HA H 70 4.370 4.370 4.523 -0.153 25449 3458 1 7 . 1 1 70 70 ASN C C 70 176.400 176.400 176.384 0.016 25449 3459 1 7 . 1 1 70 70 ASN CA C 70 56.100 56.100 55.569 0.531 25449 3460 1 7 . 1 1 70 70 ASN CB C 70 38.700 38.700 38.967 -0.267 25449 3461 1 7 . 1 1 70 70 ASN H H 70 7.660 7.660 7.665 -0.005 25449 3462 1 7 . 1 1 71 71 ASN N N 71 121.500 121.500 116.694 4.806 25449 3463 1 7 . 1 1 71 71 ASN HA H 71 4.510 4.510 4.701 -0.191 25449 3464 1 7 . 1 1 71 71 ASN C C 71 173.300 173.300 174.459 -1.159 25449 3465 1 7 . 1 1 71 71 ASN CA C 71 55.800 55.800 52.447 3.353 25449 3466 1 7 . 1 1 71 71 ASN CB C 71 38.200 38.200 38.576 -0.376 25449 3467 1 7 . 1 1 71 71 ASN H H 71 8.600 8.600 8.360 0.240 25449 3468 1 7 . 1 1 72 72 PHE N N 72 122.300 122.300 122.397 -0.097 25449 3469 1 7 . 1 1 72 72 PHE HA H 72 4.190 4.190 4.514 -0.324 25449 3470 1 7 . 1 1 72 72 PHE C C 72 174.100 174.100 173.977 0.123 25449 3471 1 7 . 1 1 72 72 PHE CA C 72 58.700 58.700 57.583 1.117 25449 3472 1 7 . 1 1 72 72 PHE CB C 72 41.300 41.300 40.450 0.850 25449 3473 1 7 . 1 1 72 72 PHE H H 72 7.870 7.870 7.478 0.392 25449 3474 1 7 . 1 1 73 73 GLU N N 73 126.100 126.100 127.087 -0.987 25449 3475 1 7 . 1 1 73 73 GLU HA H 73 4.230 4.230 4.422 -0.192 25449 3476 1 7 . 1 1 73 73 GLU C C 73 173.000 173.000 174.298 -1.298 25449 3477 1 7 . 1 1 73 73 GLU CA C 73 55.600 55.600 53.958 1.642 25449 3478 1 7 . 1 1 73 73 GLU CB C 73 30.300 30.300 31.885 -1.585 25449 3479 1 7 . 1 1 73 73 GLU H H 73 7.690 7.690 8.108 -0.418 25449 3480 1 7 . 1 1 74 74 LEU N N 74 128.900 128.900 123.612 5.288 25449 3481 1 7 . 1 1 74 74 LEU HA H 74 4.520 4.520 4.313 0.207 25449 3482 1 7 . 1 1 74 74 LEU C C 74 175.500 175.500 175.563 -0.063 25449 3483 1 7 . 1 1 74 74 LEU CA C 74 53.300 53.300 54.428 -1.128 25449 3484 1 7 . 1 1 74 74 LEU CB C 74 44.600 44.600 42.810 1.790 25449 3485 1 7 . 1 1 74 74 LEU H H 74 8.620 8.620 7.991 0.629 25449 3486 1 7 . 1 1 75 75 ASN N N 75 126.800 126.800 121.403 5.397 25449 3487 1 7 . 1 1 75 75 ASN HA H 75 4.210 4.210 4.442 -0.232 25449 3488 1 7 . 1 1 75 75 ASN C C 75 175.600 175.600 175.634 -0.034 25449 3489 1 7 . 1 1 75 75 ASN CA C 75 53.900 53.900 53.670 0.230 25449 3490 1 7 . 1 1 75 75 ASN CB C 75 36.900 36.900 37.600 -0.700 25449 3491 1 7 . 1 1 75 75 ASN H H 75 9.520 9.520 8.916 0.604 25449 3492 1 7 . 1 1 76 76 GLY N N 76 102.300 102.300 102.679 -0.379 25449 3493 1 7 . 1 1 76 76 GLY C C 76 173.600 173.600 173.253 0.347 25449 3494 1 7 . 1 1 76 76 GLY CA C 76 45.300 45.300 44.912 0.388 25449 3495 1 7 . 1 1 76 76 GLY H H 76 8.500 8.500 8.285 0.215 25449 3496 1 7 . 1 1 77 77 LYS N N 77 120.800 120.800 118.690 2.110 25449 3497 1 7 . 1 1 77 77 LYS HA H 77 4.570 4.570 4.571 -0.001 25449 3498 1 7 . 1 1 77 77 LYS C C 77 175.100 175.100 174.565 0.535 25449 3499 1 7 . 1 1 77 77 LYS CA C 77 54.200 54.200 54.688 -0.488 25449 3500 1 7 . 1 1 77 77 LYS CB C 77 34.500 34.500 34.617 -0.117 25449 3501 1 7 . 1 1 77 77 LYS H H 77 7.580 7.580 7.734 -0.154 25449 3502 1 7 . 1 1 78 78 ARG N N 78 123.300 123.300 123.799 -0.499 25449 3503 1 7 . 1 1 78 78 ARG HA H 78 4.480 4.480 4.524 -0.044 25449 3504 1 7 . 1 1 78 78 ARG C C 78 176.600 176.600 175.940 0.660 25449 3505 1 7 . 1 1 78 78 ARG CA C 78 55.300 55.300 55.242 0.058 25449 3506 1 7 . 1 1 78 78 ARG CB C 78 30.300 30.300 31.622 -1.322 25449 3507 1 7 . 1 1 78 78 ARG H H 78 8.580 8.580 8.433 0.147 25449 3508 1 7 . 1 1 79 79 ILE N N 79 120.100 120.100 121.065 -0.965 25449 3509 1 7 . 1 1 79 79 ILE HA H 79 4.700 4.700 4.464 0.236 25449 3510 1 7 . 1 1 79 79 ILE C C 79 175.200 175.200 175.053 0.147 25449 3511 1 7 . 1 1 79 79 ILE CA C 79 60.000 60.000 60.173 -0.173 25449 3512 1 7 . 1 1 79 79 ILE CB C 79 39.400 39.400 39.406 -0.006 25449 3513 1 7 . 1 1 79 79 ILE H H 79 8.450 8.450 8.412 0.038 25449 3514 1 7 . 1 1 80 80 HIS N N 80 119.900 119.900 124.529 -4.629 25449 3515 1 7 . 1 1 80 80 HIS HA H 80 5.190 5.190 4.685 0.505 25449 3516 1 7 . 1 1 80 80 HIS C C 80 173.600 173.600 174.168 -0.568 25449 3517 1 7 . 1 1 80 80 HIS CA C 80 53.800 53.800 55.608 -1.808 25449 3518 1 7 . 1 1 80 80 HIS CB C 80 31.300 31.300 30.442 0.858 25449 3519 1 7 . 1 1 80 80 HIS H H 80 8.580 8.580 8.539 0.041 25449 3520 1 7 . 1 1 81 81 VAL N N 81 123.800 123.800 127.267 -3.467 25449 3521 1 7 . 1 1 81 81 VAL HA H 81 5.280 5.280 4.274 1.006 25449 3522 1 7 . 1 1 81 81 VAL C C 81 173.600 173.600 174.281 -0.681 25449 3523 1 7 . 1 1 81 81 VAL CA C 81 60.200 60.200 61.191 -0.991 25449 3524 1 7 . 1 1 81 81 VAL CB C 81 35.000 35.000 32.599 2.401 25449 3525 1 7 . 1 1 81 81 VAL H H 81 8.650 8.650 8.125 0.525 25449 3526 1 7 . 1 1 82 82 ASN N N 82 121.100 121.100 124.433 -3.333 25449 3527 1 7 . 1 1 82 82 ASN HA H 82 4.750 4.750 4.938 -0.188 25449 3528 1 7 . 1 1 82 82 ASN C C 82 174.000 174.000 173.436 0.564 25449 3529 1 7 . 1 1 82 82 ASN CA C 82 51.900 51.900 51.303 0.597 25449 3530 1 7 . 1 1 82 82 ASN CB C 82 42.900 42.900 42.115 0.785 25449 3531 1 7 . 1 1 82 82 ASN H H 82 8.890 8.890 8.044 0.846 25449 3532 1 7 . 1 1 83 83 TYR N N 83 120.400 120.400 120.797 -0.397 25449 3533 1 7 . 1 1 83 83 TYR HA H 83 4.800 4.800 4.820 -0.020 25449 3534 1 7 . 1 1 83 83 TYR C C 83 177.100 177.100 174.913 2.187 25449 3535 1 7 . 1 1 83 83 TYR CA C 83 59.400 59.400 58.323 1.077 25449 3536 1 7 . 1 1 83 83 TYR CB C 83 38.700 38.700 39.405 -0.705 25449 3537 1 7 . 1 1 83 83 TYR H H 83 8.480 8.480 8.750 -0.270 25449 3538 1 7 . 1 1 84 84 SER N N 84 118.000 118.000 117.598 0.402 25449 3539 1 7 . 1 1 84 84 SER HA H 84 4.520 4.520 4.411 0.109 25449 3540 1 7 . 1 1 84 84 SER C C 84 174.100 174.100 171.750 2.350 25449 3541 1 7 . 1 1 84 84 SER CA C 84 57.700 57.700 56.798 0.902 25449 3542 1 7 . 1 1 84 84 SER CB C 84 64.300 64.300 65.749 -1.449 25449 3543 1 7 . 1 1 84 84 SER H H 84 9.040 9.040 7.624 1.416 25449 3544 1 7 . 1 1 85 85 LYS N N 85 125.300 125.300 120.091 5.209 25449 3545 1 7 . 1 1 85 85 LYS HA H 85 4.440 4.440 4.313 0.127 25449 3546 1 7 . 1 1 85 85 LYS C C 85 175.600 175.600 175.421 0.179 25449 3547 1 7 . 1 1 85 85 LYS CA C 85 56.300 56.300 55.326 0.974 25449 3548 1 7 . 1 1 85 85 LYS CB C 85 33.700 33.700 33.513 0.187 25449 3549 1 7 . 1 1 85 85 LYS H H 85 8.410 8.410 8.196 0.214 25449 3550 1 8 . 1 1 -1 -1 SER N N -1 115.600 115.600 118.266 -2.666 25449 3551 1 8 . 1 1 -1 -1 SER HA H -1 4.410 4.410 4.537 -0.127 25449 3552 1 8 . 1 1 -1 -1 SER C C -1 172.000 172.000 173.410 -1.410 25449 3553 1 8 . 1 1 -1 -1 SER CA C -1 58.200 58.200 57.623 0.577 25449 3554 1 8 . 1 1 -1 -1 SER CB C -1 63.900 63.900 65.577 -1.677 25449 3555 1 8 . 1 1 -1 -1 SER H H -1 8.670 8.670 8.635 0.035 25449 3556 1 8 . 1 1 0 0 HIS N N 0 121.200 121.200 118.996 2.204 25449 3557 1 8 . 1 1 0 0 HIS HA H 0 4.590 4.590 4.299 0.291 25449 3558 1 8 . 1 1 0 0 HIS C C 0 174.800 174.800 174.213 0.587 25449 3559 1 8 . 1 1 0 0 HIS CA C 0 56.100 56.100 56.437 -0.337 25449 3560 1 8 . 1 1 0 0 HIS CB C 0 29.900 29.900 29.764 0.136 25449 3561 1 8 . 1 1 0 0 HIS H H 0 8.730 8.730 8.580 0.150 25449 3562 1 8 . 1 1 1 1 MET N N 1 121.800 121.800 125.258 -3.458 25449 3563 1 8 . 1 1 1 1 MET HA H 1 4.370 4.370 4.267 0.103 25449 3564 1 8 . 1 1 1 1 MET C C 1 176.300 176.300 175.622 0.678 25449 3565 1 8 . 1 1 1 1 MET CA C 1 55.700 55.700 54.403 1.297 25449 3566 1 8 . 1 1 1 1 MET CB C 1 32.800 32.800 31.375 1.425 25449 3567 1 8 . 1 1 1 1 MET H H 1 8.450 8.450 8.406 0.044 25449 3568 1 8 . 1 1 2 2 SER N N 2 116.700 116.700 121.813 -5.113 25449 3569 1 8 . 1 1 2 2 SER HA H 2 4.370 4.370 4.246 0.124 25449 3570 1 8 . 1 1 2 2 SER C C 2 174.200 174.200 173.524 0.676 25449 3571 1 8 . 1 1 2 2 SER CA C 2 58.400 58.400 58.221 0.179 25449 3572 1 8 . 1 1 2 2 SER CB C 2 63.800 63.800 63.685 0.115 25449 3573 1 8 . 1 1 2 2 SER H H 2 8.410 8.410 8.095 0.315 25449 3574 1 8 . 1 1 3 3 ASP N N 3 122.100 122.100 125.448 -3.348 25449 3575 1 8 . 1 1 3 3 ASP HA H 3 4.550 4.550 4.845 -0.295 25449 3576 1 8 . 1 1 3 3 ASP C C 3 176.100 176.100 174.636 1.464 25449 3577 1 8 . 1 1 3 3 ASP CA C 3 54.500 54.500 53.690 0.810 25449 3578 1 8 . 1 1 3 3 ASP CB C 3 41.200 41.200 42.162 -0.962 25449 3579 1 8 . 1 1 3 3 ASP H H 3 8.340 8.340 8.303 0.037 25449 3580 1 8 . 1 1 4 4 ASN N N 4 119.100 119.100 121.196 -2.096 25449 3581 1 8 . 1 1 4 4 ASN HA H 4 4.580 4.580 4.795 -0.215 25449 3582 1 8 . 1 1 4 4 ASN C C 4 174.900 174.900 174.752 0.148 25449 3583 1 8 . 1 1 4 4 ASN CA C 4 53.700 53.700 52.533 1.167 25449 3584 1 8 . 1 1 4 4 ASN CB C 4 38.900 38.900 40.157 -1.258 25449 3585 1 8 . 1 1 4 4 ASN H H 4 8.420 8.420 8.048 0.372 25449 3586 1 8 . 1 1 5 5 ASN N N 5 118.400 118.400 118.135 0.265 25449 3587 1 8 . 1 1 5 5 ASN HA H 5 4.540 4.540 4.646 -0.106 25449 3588 1 8 . 1 1 5 5 ASN C C 5 173.900 173.900 174.669 -0.769 25449 3589 1 8 . 1 1 5 5 ASN CA C 5 53.200 53.200 52.673 0.527 25449 3590 1 8 . 1 1 5 5 ASN CB C 5 38.700 38.700 38.441 0.259 25449 3591 1 8 . 1 1 5 5 ASN H H 5 8.340 8.340 8.530 -0.190 25449 3592 1 8 . 1 1 6 6 ALA N N 6 122.100 122.100 123.410 -1.310 25449 3593 1 8 . 1 1 6 6 ALA HA H 6 2.740 2.740 4.086 -1.346 25449 3594 1 8 . 1 1 6 6 ALA C C 6 177.000 177.000 177.241 -0.241 25449 3595 1 8 . 1 1 6 6 ALA CA C 6 52.300 52.300 52.783 -0.483 25449 3596 1 8 . 1 1 6 6 ALA CB C 6 20.000 20.000 18.579 1.421 25449 3597 1 8 . 1 1 6 6 ALA H H 6 7.590 7.590 7.599 -0.009 25449 3598 1 8 . 1 1 7 7 THR N N 7 112.700 112.700 118.913 -6.213 25449 3599 1 8 . 1 1 7 7 THR HA H 7 4.390 4.390 4.334 0.056 25449 3600 1 8 . 1 1 7 7 THR C C 7 171.700 171.700 175.094 -3.394 25449 3601 1 8 . 1 1 7 7 THR CA C 7 59.800 59.800 61.170 -1.370 25449 3602 1 8 . 1 1 7 7 THR CB C 7 70.600 70.600 69.794 0.806 25449 3603 1 8 . 1 1 7 7 THR H H 7 6.840 6.840 7.817 -0.977 25449 3604 1 8 . 1 1 8 8 ASP N N 8 114.600 114.600 123.148 -8.548 25449 3605 1 8 . 1 1 8 8 ASP HA H 8 4.490 4.490 4.241 0.249 25449 3606 1 8 . 1 1 8 8 ASP C C 8 174.300 174.300 174.527 -0.227 25449 3607 1 8 . 1 1 8 8 ASP CA C 8 53.500 53.500 55.561 -2.061 25449 3608 1 8 . 1 1 8 8 ASP CB C 8 39.800 39.800 39.763 0.037 25449 3609 1 8 . 1 1 8 8 ASP H H 8 8.170 8.170 8.817 -0.647 25449 3610 1 8 . 1 1 9 9 ILE N N 9 117.800 117.800 118.420 -0.620 25449 3611 1 8 . 1 1 9 9 ILE HA H 9 4.810 4.810 5.115 -0.305 25449 3612 1 8 . 1 1 9 9 ILE C C 9 174.700 174.700 174.306 0.394 25449 3613 1 8 . 1 1 9 9 ILE CA C 9 60.600 60.600 60.166 0.434 25449 3614 1 8 . 1 1 9 9 ILE CB C 9 40.300 40.300 40.307 -0.007 25449 3615 1 8 . 1 1 9 9 ILE H H 9 7.890 7.890 7.420 0.470 25449 3616 1 8 . 1 1 10 10 LEU N N 10 125.300 125.300 126.434 -1.134 25449 3617 1 8 . 1 1 10 10 LEU HA H 10 4.960 4.960 4.912 0.048 25449 3618 1 8 . 1 1 10 10 LEU C C 10 176.100 176.100 174.853 1.247 25449 3619 1 8 . 1 1 10 10 LEU CA C 10 52.900 52.900 53.927 -1.027 25449 3620 1 8 . 1 1 10 10 LEU CB C 10 43.100 43.100 45.858 -2.758 25449 3621 1 8 . 1 1 10 10 LEU H H 10 9.370 9.370 8.366 1.004 25449 3622 1 8 . 1 1 11 11 PHE N N 11 124.300 124.300 127.284 -2.984 25449 3623 1 8 . 1 1 11 11 PHE HA H 11 4.670 4.670 4.961 -0.291 25449 3624 1 8 . 1 1 11 11 PHE C C 11 173.400 173.400 173.830 -0.430 25449 3625 1 8 . 1 1 11 11 PHE CA C 11 57.000 57.000 56.807 0.193 25449 3626 1 8 . 1 1 11 11 PHE CB C 11 40.700 40.700 41.033 -0.333 25449 3627 1 8 . 1 1 11 11 PHE H H 11 9.310 9.310 8.398 0.912 25449 3628 1 8 . 1 1 12 12 VAL N N 12 128.300 128.300 125.930 2.370 25449 3629 1 8 . 1 1 12 12 VAL HA H 12 4.420 4.420 4.309 0.111 25449 3630 1 8 . 1 1 12 12 VAL C C 12 173.900 173.900 174.604 -0.704 25449 3631 1 8 . 1 1 12 12 VAL CA C 12 60.200 60.200 60.467 -0.267 25449 3632 1 8 . 1 1 12 12 VAL CB C 12 33.100 33.100 35.019 -1.919 25449 3633 1 8 . 1 1 12 12 VAL H H 12 8.380 8.380 7.802 0.578 25449 3634 1 8 . 1 1 13 13 GLY N N 13 111.800 111.800 110.387 1.413 25449 3635 1 8 . 1 1 13 13 GLY C C 13 173.800 173.800 173.986 -0.186 25449 3636 1 8 . 1 1 13 13 GLY CA C 13 43.400 43.400 43.746 -0.346 25449 3637 1 8 . 1 1 13 13 GLY H H 13 9.150 9.150 8.421 0.729 25449 3638 1 8 . 1 1 14 14 GLY N N 14 107.600 107.600 108.107 -0.507 25449 3639 1 8 . 1 1 14 14 GLY C C 14 175.400 175.400 174.131 1.269 25449 3640 1 8 . 1 1 14 14 GLY CA C 14 45.800 45.800 44.669 1.131 25449 3641 1 8 . 1 1 14 14 GLY H H 14 8.260 8.260 8.380 -0.120 25449 3642 1 8 . 1 1 15 15 ILE N N 15 111.100 111.100 122.475 -11.375 25449 3643 1 8 . 1 1 15 15 ILE HA H 15 4.040 4.040 4.358 -0.318 25449 3644 1 8 . 1 1 15 15 ILE C C 15 175.500 175.500 175.521 -0.021 25449 3645 1 8 . 1 1 15 15 ILE CA C 15 60.500 60.500 59.168 1.332 25449 3646 1 8 . 1 1 15 15 ILE CB C 15 38.500 38.500 39.247 -0.747 25449 3647 1 8 . 1 1 15 15 ILE H H 15 6.930 6.930 7.749 -0.819 25449 3648 1 8 . 1 1 16 16 ASP N N 16 122.800 122.800 121.171 1.629 25449 3649 1 8 . 1 1 16 16 ASP HA H 16 4.580 4.580 4.541 0.039 25449 3650 1 8 . 1 1 16 16 ASP C C 16 177.200 177.200 176.620 0.580 25449 3651 1 8 . 1 1 16 16 ASP CA C 16 53.700 53.700 53.900 -0.200 25449 3652 1 8 . 1 1 16 16 ASP CB C 16 42.500 42.500 42.441 0.059 25449 3653 1 8 . 1 1 16 16 ASP H H 16 8.320 8.320 8.481 -0.161 25449 3654 1 8 . 1 1 17 17 GLU N N 17 119.600 119.600 116.895 2.705 25449 3655 1 8 . 1 1 17 17 GLU HA H 17 4.140 4.140 4.319 -0.179 25449 3656 1 8 . 1 1 17 17 GLU C C 17 176.800 176.800 176.255 0.545 25449 3657 1 8 . 1 1 17 17 GLU CA C 17 58.600 58.600 57.222 1.378 25449 3658 1 8 . 1 1 17 17 GLU CB C 17 29.800 29.800 28.954 0.846 25449 3659 1 8 . 1 1 17 17 GLU H H 17 8.830 8.830 8.628 0.202 25449 3660 1 8 . 1 1 18 18 THR N N 18 111.300 111.300 114.808 -3.508 25449 3661 1 8 . 1 1 18 18 THR HA H 18 4.250 4.250 4.385 -0.135 25449 3662 1 8 . 1 1 18 18 THR C C 18 175.200 175.200 173.761 1.439 25449 3663 1 8 . 1 1 18 18 THR CA C 18 62.600 62.600 60.988 1.612 25449 3664 1 8 . 1 1 18 18 THR CB C 18 69.600 69.600 69.093 0.507 25449 3665 1 8 . 1 1 18 18 THR H H 18 8.740 8.740 7.932 0.808 25449 3666 1 8 . 1 1 19 19 ILE N N 19 123.300 123.300 118.128 5.172 25449 3667 1 8 . 1 1 19 19 ILE HA H 19 3.880 3.880 4.404 -0.524 25449 3668 1 8 . 1 1 19 19 ILE C C 19 174.300 174.300 174.240 0.060 25449 3669 1 8 . 1 1 19 19 ILE CA C 19 59.900 59.900 58.114 1.786 25449 3670 1 8 . 1 1 19 19 ILE CB C 19 35.600 35.600 39.011 -3.411 25449 3671 1 8 . 1 1 19 19 ILE H H 19 7.220 7.220 7.573 -0.353 25449 3672 1 8 . 1 1 20 20 ASP N N 20 125.600 125.600 123.729 1.871 25449 3673 1 8 . 1 1 20 20 ASP HA H 20 4.640 4.640 4.897 -0.257 25449 3674 1 8 . 1 1 20 20 ASP C C 20 175.300 175.300 176.399 -1.099 25449 3675 1 8 . 1 1 20 20 ASP CA C 20 51.500 51.500 53.347 -1.847 25449 3676 1 8 . 1 1 20 20 ASP CB C 20 43.000 43.000 43.927 -0.927 25449 3677 1 8 . 1 1 20 20 ASP H H 20 7.790 7.790 7.968 -0.178 25449 3678 1 8 . 1 1 21 21 GLU N N 21 118.400 118.400 122.165 -3.765 25449 3679 1 8 . 1 1 21 21 GLU HA H 21 3.630 3.630 3.920 -0.290 25449 3680 1 8 . 1 1 21 21 GLU C C 21 177.900 177.900 178.327 -0.427 25449 3681 1 8 . 1 1 21 21 GLU CA C 21 60.900 60.900 60.523 0.377 25449 3682 1 8 . 1 1 21 21 GLU CB C 21 29.200 29.200 29.861 -0.661 25449 3683 1 8 . 1 1 21 21 GLU H H 21 9.220 9.220 9.004 0.216 25449 3684 1 8 . 1 1 22 22 LYS N N 22 119.700 119.700 117.142 2.558 25449 3685 1 8 . 1 1 22 22 LYS HA H 22 4.060 4.060 4.161 -0.101 25449 3686 1 8 . 1 1 22 22 LYS C C 22 178.500 178.500 179.086 -0.586 25449 3687 1 8 . 1 1 22 22 LYS CA C 22 59.300 59.300 58.623 0.677 25449 3688 1 8 . 1 1 22 22 LYS CB C 22 31.800 31.800 31.686 0.115 25449 3689 1 8 . 1 1 22 22 LYS H H 22 8.040 8.040 8.535 -0.495 25449 3690 1 8 . 1 1 23 23 SER N N 23 114.900 114.900 116.187 -1.287 25449 3691 1 8 . 1 1 23 23 SER HA H 23 4.300 4.300 4.246 0.054 25449 3692 1 8 . 1 1 23 23 SER C C 23 177.600 177.600 176.446 1.154 25449 3693 1 8 . 1 1 23 23 SER CA C 23 61.800 61.800 61.429 0.371 25449 3694 1 8 . 1 1 23 23 SER CB C 23 62.900 62.900 62.883 0.017 25449 3695 1 8 . 1 1 23 23 SER H H 23 8.240 8.240 7.660 0.580 25449 3696 1 8 . 1 1 24 24 LEU N N 24 118.800 118.800 121.578 -2.778 25449 3697 1 8 . 1 1 24 24 LEU HA H 24 4.180 4.180 4.144 0.036 25449 3698 1 8 . 1 1 24 24 LEU C C 24 178.700 178.700 178.761 -0.061 25449 3699 1 8 . 1 1 24 24 LEU CA C 24 57.300 57.300 56.998 0.302 25449 3700 1 8 . 1 1 24 24 LEU CB C 24 42.100 42.100 41.531 0.569 25449 3701 1 8 . 1 1 24 24 LEU H H 24 7.750 7.750 7.464 0.286 25449 3702 1 8 . 1 1 25 25 TYR N N 25 123.200 123.200 121.509 1.691 25449 3703 1 8 . 1 1 25 25 TYR HA H 25 3.630 3.630 4.049 -0.419 25449 3704 1 8 . 1 1 25 25 TYR C C 25 178.600 178.600 177.115 1.485 25449 3705 1 8 . 1 1 25 25 TYR CA C 25 63.200 63.200 61.079 2.121 25449 3706 1 8 . 1 1 25 25 TYR CB C 25 38.200 38.200 38.352 -0.152 25449 3707 1 8 . 1 1 25 25 TYR H H 25 8.970 8.970 7.559 1.411 25449 3708 1 8 . 1 1 26 26 ASP N N 26 119.800 119.800 118.161 1.639 25449 3709 1 8 . 1 1 26 26 ASP HA H 26 4.270 4.270 4.550 -0.280 25449 3710 1 8 . 1 1 26 26 ASP C C 26 177.900 177.900 178.118 -0.218 25449 3711 1 8 . 1 1 26 26 ASP CA C 26 57.700 57.700 57.636 0.064 25449 3712 1 8 . 1 1 26 26 ASP CB C 26 40.000 40.000 40.901 -0.901 25449 3713 1 8 . 1 1 26 26 ASP H H 26 8.510 8.510 7.862 0.648 25449 3714 1 8 . 1 1 27 27 ILE N N 27 114.700 114.700 119.229 -4.529 25449 3715 1 8 . 1 1 27 27 ILE HA H 27 3.960 3.960 3.900 0.060 25449 3716 1 8 . 1 1 27 27 ILE C C 27 177.700 177.700 177.891 -0.191 25449 3717 1 8 . 1 1 27 27 ILE CA C 27 63.300 63.300 64.656 -1.357 25449 3718 1 8 . 1 1 27 27 ILE CB C 27 39.000 39.000 38.264 0.736 25449 3719 1 8 . 1 1 27 27 ILE H H 27 7.320 7.320 7.506 -0.186 25449 3720 1 8 . 1 1 28 28 PHE N N 28 116.900 116.900 117.726 -0.826 25449 3721 1 8 . 1 1 28 28 PHE HA H 28 4.370 4.370 4.563 -0.193 25449 3722 1 8 . 1 1 28 28 PHE C C 28 179.900 179.900 177.064 2.836 25449 3723 1 8 . 1 1 28 28 PHE CA C 28 62.300 62.300 59.169 3.131 25449 3724 1 8 . 1 1 28 28 PHE CB C 28 37.300 37.300 38.309 -1.009 25449 3725 1 8 . 1 1 28 28 PHE H H 28 8.650 8.650 8.128 0.522 25449 3726 1 8 . 1 1 29 29 SER N N 29 120.100 120.100 112.181 7.919 25449 3727 1 8 . 1 1 29 29 SER HA H 29 4.410 4.410 4.676 -0.266 25449 3728 1 8 . 1 1 29 29 SER C C 29 175.600 175.600 175.358 0.242 25449 3729 1 8 . 1 1 29 29 SER CA C 29 61.300 61.300 59.174 2.126 25449 3730 1 8 . 1 1 29 29 SER CB C 29 62.200 62.200 63.129 -0.929 25449 3731 1 8 . 1 1 29 29 SER H H 29 8.880 8.880 7.805 1.075 25449 3732 1 8 . 1 1 30 30 SER N N 30 116.200 116.200 116.882 -0.682 25449 3733 1 8 . 1 1 30 30 SER HA H 30 3.940 3.940 4.217 -0.277 25449 3734 1 8 . 1 1 30 30 SER C C 30 174.900 174.900 175.154 -0.254 25449 3735 1 8 . 1 1 30 30 SER CA C 30 60.400 60.400 60.610 -0.210 25449 3736 1 8 . 1 1 30 30 SER CB C 30 62.400 62.400 63.244 -0.844 25449 3737 1 8 . 1 1 30 30 SER H H 30 7.270 7.270 7.987 -0.717 25449 3738 1 8 . 1 1 31 31 PHE N N 31 115.600 115.600 121.583 -5.983 25449 3739 1 8 . 1 1 31 31 PHE HA H 31 4.280 4.280 4.592 -0.312 25449 3740 1 8 . 1 1 31 31 PHE C C 31 174.100 174.100 176.256 -2.156 25449 3741 1 8 . 1 1 31 31 PHE CA C 31 58.900 58.900 59.328 -0.428 25449 3742 1 8 . 1 1 31 31 PHE CB C 31 39.300 39.300 40.406 -1.106 25449 3743 1 8 . 1 1 31 31 PHE H H 31 6.980 6.980 7.693 -0.713 25449 3744 1 8 . 1 1 32 32 GLY N N 32 104.900 104.900 106.755 -1.855 25449 3745 1 8 . 1 1 32 32 GLY C C 32 171.600 171.600 172.393 -0.793 25449 3746 1 8 . 1 1 32 32 GLY CA C 32 44.300 44.300 44.264 0.036 25449 3747 1 8 . 1 1 32 32 GLY H H 32 7.300 7.300 7.612 -0.312 25449 3748 1 8 . 1 1 33 33 ASP N N 33 116.100 116.100 124.441 -8.341 25449 3749 1 8 . 1 1 33 33 ASP HA H 33 4.510 4.510 4.366 0.144 25449 3750 1 8 . 1 1 33 33 ASP C C 33 176.800 176.800 174.516 2.284 25449 3751 1 8 . 1 1 33 33 ASP CA C 33 55.400 55.400 55.470 -0.070 25449 3752 1 8 . 1 1 33 33 ASP CB C 33 40.600 40.600 42.650 -2.050 25449 3753 1 8 . 1 1 33 33 ASP H H 33 8.120 8.120 8.419 -0.299 25449 3754 1 8 . 1 1 34 34 ILE N N 34 126.400 126.400 119.507 6.893 25449 3755 1 8 . 1 1 34 34 ILE HA H 34 3.850 3.850 4.083 -0.233 25449 3756 1 8 . 1 1 34 34 ILE C C 34 176.200 176.200 176.586 -0.386 25449 3757 1 8 . 1 1 34 34 ILE CA C 34 60.200 60.200 58.585 1.615 25449 3758 1 8 . 1 1 34 34 ILE CB C 34 39.900 39.900 39.307 0.593 25449 3759 1 8 . 1 1 34 34 ILE H H 34 8.670 8.670 7.935 0.735 25449 3760 1 8 . 1 1 35 35 ARG N N 35 128.900 128.900 127.324 1.576 25449 3761 1 8 . 1 1 35 35 ARG HA H 35 4.160 4.160 4.228 -0.068 25449 3762 1 8 . 1 1 35 35 ARG C C 35 175.600 175.600 175.841 -0.241 25449 3763 1 8 . 1 1 35 35 ARG CA C 35 57.500 57.500 57.700 -0.200 25449 3764 1 8 . 1 1 35 35 ARG CB C 35 31.700 31.700 31.245 0.455 25449 3765 1 8 . 1 1 35 35 ARG H H 35 9.320 9.320 8.479 0.841 25449 3766 1 8 . 1 1 36 36 ASN N N 36 114.300 114.300 114.590 -0.290 25449 3767 1 8 . 1 1 36 36 ASN HA H 36 4.710 4.710 4.783 -0.073 25449 3768 1 8 . 1 1 36 36 ASN C C 36 172.000 172.000 172.894 -0.894 25449 3769 1 8 . 1 1 36 36 ASN CA C 36 53.500 53.500 53.271 0.229 25449 3770 1 8 . 1 1 36 36 ASN CB C 36 42.600 42.600 40.495 2.104 25449 3771 1 8 . 1 1 36 36 ASN H H 36 7.620 7.620 8.117 -0.497 25449 3772 1 8 . 1 1 37 37 ILE N N 37 122.700 122.700 123.116 -0.416 25449 3773 1 8 . 1 1 37 37 ILE HA H 37 4.770 4.770 4.443 0.327 25449 3774 1 8 . 1 1 37 37 ILE C C 37 173.300 173.300 174.567 -1.267 25449 3775 1 8 . 1 1 37 37 ILE CA C 37 60.600 60.600 61.095 -0.495 25449 3776 1 8 . 1 1 37 37 ILE CB C 37 41.200 41.200 40.257 0.943 25449 3777 1 8 . 1 1 37 37 ILE H H 37 8.030 8.030 8.508 -0.478 25449 3778 1 8 . 1 1 38 38 GLU N N 38 126.700 126.700 128.648 -1.948 25449 3779 1 8 . 1 1 38 38 GLU HA H 38 4.660 4.660 4.659 0.001 25449 3780 1 8 . 1 1 38 38 GLU C C 38 174.800 174.800 174.432 0.368 25449 3781 1 8 . 1 1 38 38 GLU CA C 38 54.400 54.400 55.459 -1.059 25449 3782 1 8 . 1 1 38 38 GLU CB C 38 33.400 33.400 30.895 2.505 25449 3783 1 8 . 1 1 38 38 GLU H H 38 8.870 8.870 8.613 0.257 25449 3784 1 8 . 1 1 39 39 VAL N N 39 126.400 126.400 127.462 -1.062 25449 3785 1 8 . 1 1 39 39 VAL CA C 39 58.700 58.700 59.099 -0.399 25449 3786 1 8 . 1 1 39 39 VAL CB C 39 32.600 32.600 32.984 -0.384 25449 3787 1 8 . 1 1 39 39 VAL H H 39 8.970 8.970 8.461 0.509 25449 3788 1 8 . 1 1 40 40 PRO HA H 40 4.230 4.230 4.395 -0.165 25449 3789 1 8 . 1 1 40 40 PRO C C 40 176.300 176.300 175.339 0.961 25449 3790 1 8 . 1 1 40 40 PRO CA C 40 63.300 63.300 63.109 0.191 25449 3791 1 8 . 1 1 40 40 PRO CB C 40 32.500 32.500 32.123 0.377 25449 3792 1 8 . 1 1 41 41 LEU N N 41 120.700 120.700 122.846 -2.146 25449 3793 1 8 . 1 1 41 41 LEU HA H 41 4.520 4.520 4.568 -0.048 25449 3794 1 8 . 1 1 41 41 LEU C C 41 177.900 177.900 175.892 2.008 25449 3795 1 8 . 1 1 41 41 LEU CA C 41 53.100 53.100 53.808 -0.708 25449 3796 1 8 . 1 1 41 41 LEU CB C 41 44.300 44.300 45.543 -1.243 25449 3797 1 8 . 1 1 41 41 LEU H H 41 8.520 8.520 8.171 0.349 25449 3798 1 8 . 1 1 42 42 ASN N N 42 121.400 121.400 121.039 0.361 25449 3799 1 8 . 1 1 42 42 ASN HA H 42 4.560 4.560 4.958 -0.398 25449 3800 1 8 . 1 1 42 42 ASN C C 42 176.700 176.700 175.985 0.715 25449 3801 1 8 . 1 1 42 42 ASN CA C 42 52.900 52.900 52.271 0.629 25449 3802 1 8 . 1 1 42 42 ASN CB C 42 39.000 39.000 40.322 -1.322 25449 3803 1 8 . 1 1 42 42 ASN H H 42 8.740 8.740 8.497 0.243 25449 3804 1 8 . 1 1 43 43 MET N N 43 125.500 125.500 124.192 1.308 25449 3805 1 8 . 1 1 43 43 MET HA H 43 4.210 4.210 4.412 -0.202 25449 3806 1 8 . 1 1 43 43 MET C C 43 177.200 177.200 176.761 0.439 25449 3807 1 8 . 1 1 43 43 MET CA C 43 57.100 57.100 57.343 -0.243 25449 3808 1 8 . 1 1 43 43 MET CB C 43 31.600 31.600 32.573 -0.973 25449 3809 1 8 . 1 1 43 43 MET H H 43 9.080 9.080 8.929 0.151 25449 3810 1 8 . 1 1 44 44 THR N N 44 114.400 114.400 114.300 0.100 25449 3811 1 8 . 1 1 44 44 THR HA H 44 4.160 4.160 4.307 -0.147 25449 3812 1 8 . 1 1 44 44 THR C C 44 175.900 175.900 175.809 0.091 25449 3813 1 8 . 1 1 44 44 THR CA C 44 65.200 65.200 64.883 0.317 25449 3814 1 8 . 1 1 44 44 THR CB C 44 68.700 68.700 69.262 -0.562 25449 3815 1 8 . 1 1 44 44 THR H H 44 8.590 8.590 7.973 0.617 25449 3816 1 8 . 1 1 45 45 THR N N 45 110.300 110.300 113.626 -3.326 25449 3817 1 8 . 1 1 45 45 THR HA H 45 4.160 4.160 4.424 -0.264 25449 3818 1 8 . 1 1 45 45 THR C C 45 175.500 175.500 173.891 1.609 25449 3819 1 8 . 1 1 45 45 THR CA C 45 62.000 62.000 61.556 0.444 25449 3820 1 8 . 1 1 45 45 THR CB C 45 70.000 70.000 69.353 0.647 25449 3821 1 8 . 1 1 45 45 THR H H 45 7.610 7.610 7.676 -0.066 25449 3822 1 8 . 1 1 46 46 LYS N N 46 115.700 115.700 121.083 -5.383 25449 3823 1 8 . 1 1 46 46 LYS HA H 46 3.720 3.720 3.875 -0.155 25449 3824 1 8 . 1 1 46 46 LYS C C 46 174.600 174.600 174.804 -0.204 25449 3825 1 8 . 1 1 46 46 LYS CA C 46 57.600 57.600 57.467 0.133 25449 3826 1 8 . 1 1 46 46 LYS CB C 46 28.900 28.900 31.015 -2.115 25449 3827 1 8 . 1 1 46 46 LYS H H 46 8.460 8.460 7.981 0.479 25449 3828 1 8 . 1 1 47 47 LYS N N 47 117.100 117.100 116.618 0.482 25449 3829 1 8 . 1 1 47 47 LYS HA H 47 4.680 4.680 4.128 0.552 25449 3830 1 8 . 1 1 47 47 LYS C C 47 176.300 176.300 177.051 -0.751 25449 3831 1 8 . 1 1 47 47 LYS CA C 47 54.000 54.000 56.782 -2.782 25449 3832 1 8 . 1 1 47 47 LYS CB C 47 35.100 35.100 32.363 2.737 25449 3833 1 8 . 1 1 47 47 LYS H H 47 7.610 7.610 8.060 -0.450 25449 3834 1 8 . 1 1 48 48 ASN N N 48 117.700 117.700 120.649 -2.949 25449 3835 1 8 . 1 1 48 48 ASN HA H 48 4.700 4.700 4.637 0.063 25449 3836 1 8 . 1 1 48 48 ASN C C 48 174.000 174.000 175.390 -1.390 25449 3837 1 8 . 1 1 48 48 ASN CA C 48 53.600 53.600 52.228 1.372 25449 3838 1 8 . 1 1 48 48 ASN CB C 48 37.700 37.700 39.191 -1.490 25449 3839 1 8 . 1 1 48 48 ASN H H 48 8.740 8.740 8.720 0.020 25449 3840 1 8 . 1 1 49 49 ARG N N 49 116.800 116.800 116.760 0.040 25449 3841 1 8 . 1 1 49 49 ARG HA H 49 4.350 4.350 4.036 0.314 25449 3842 1 8 . 1 1 49 49 ARG C C 49 177.500 177.500 176.417 1.083 25449 3843 1 8 . 1 1 49 49 ARG CA C 49 55.600 55.600 56.453 -0.853 25449 3844 1 8 . 1 1 49 49 ARG CB C 49 31.600 31.600 27.024 4.576 25449 3845 1 8 . 1 1 49 49 ARG H H 49 8.530 8.530 8.532 -0.002 25449 3846 1 8 . 1 1 50 50 GLY N N 50 108.300 108.300 105.273 3.027 25449 3847 1 8 . 1 1 50 50 GLY C C 50 173.500 173.500 173.169 0.331 25449 3848 1 8 . 1 1 50 50 GLY CA C 50 45.800 45.800 45.503 0.297 25449 3849 1 8 . 1 1 50 50 GLY H H 50 8.900 8.900 8.777 0.123 25449 3850 1 8 . 1 1 51 51 PHE N N 51 113.900 113.900 117.134 -3.234 25449 3851 1 8 . 1 1 51 51 PHE HA H 51 5.470 5.470 4.794 0.676 25449 3852 1 8 . 1 1 51 51 PHE C C 51 172.000 172.000 172.307 -0.307 25449 3853 1 8 . 1 1 51 51 PHE CA C 51 55.000 55.000 55.779 -0.779 25449 3854 1 8 . 1 1 51 51 PHE CB C 51 42.700 42.700 41.331 1.369 25449 3855 1 8 . 1 1 51 51 PHE H H 51 6.910 6.910 7.182 -0.272 25449 3856 1 8 . 1 1 52 52 ALA N N 52 120.500 120.500 125.566 -5.066 25449 3857 1 8 . 1 1 52 52 ALA HA H 52 4.630 4.630 4.153 0.477 25449 3858 1 8 . 1 1 52 52 ALA C C 52 173.900 173.900 174.260 -0.360 25449 3859 1 8 . 1 1 52 52 ALA CA C 52 50.200 50.200 51.383 -1.183 25449 3860 1 8 . 1 1 52 52 ALA CB C 52 25.100 25.100 22.150 2.950 25449 3861 1 8 . 1 1 52 52 ALA H H 52 8.810 8.810 7.677 1.133 25449 3862 1 8 . 1 1 53 53 PHE N N 53 115.000 115.000 119.216 -4.216 25449 3863 1 8 . 1 1 53 53 PHE HA H 53 5.660 5.660 4.901 0.759 25449 3864 1 8 . 1 1 53 53 PHE C C 53 175.600 175.600 175.141 0.459 25449 3865 1 8 . 1 1 53 53 PHE CA C 53 56.200 56.200 56.332 -0.132 25449 3866 1 8 . 1 1 53 53 PHE CB C 53 42.400 42.400 41.294 1.106 25449 3867 1 8 . 1 1 53 53 PHE H H 53 8.730 8.730 7.967 0.763 25449 3868 1 8 . 1 1 54 54 VAL N N 54 122.300 122.300 121.766 0.534 25449 3869 1 8 . 1 1 54 54 VAL HA H 54 4.100 4.100 4.267 -0.167 25449 3870 1 8 . 1 1 54 54 VAL C C 54 173.000 173.000 174.265 -1.265 25449 3871 1 8 . 1 1 54 54 VAL CA C 54 61.700 61.700 61.931 -0.231 25449 3872 1 8 . 1 1 54 54 VAL CB C 54 34.400 34.400 34.988 -0.588 25449 3873 1 8 . 1 1 54 54 VAL H H 54 9.060 9.060 8.621 0.439 25449 3874 1 8 . 1 1 55 55 GLU N N 55 127.300 127.300 127.473 -0.173 25449 3875 1 8 . 1 1 55 55 GLU HA H 55 5.160 5.160 4.846 0.314 25449 3876 1 8 . 1 1 55 55 GLU C C 55 175.900 175.900 175.589 0.311 25449 3877 1 8 . 1 1 55 55 GLU CA C 55 54.000 54.000 54.329 -0.329 25449 3878 1 8 . 1 1 55 55 GLU CB C 55 31.700 31.700 31.404 0.296 25449 3879 1 8 . 1 1 55 55 GLU H H 55 8.860 8.860 8.257 0.603 25449 3880 1 8 . 1 1 56 56 TYR N N 56 127.500 127.500 123.779 3.721 25449 3881 1 8 . 1 1 56 56 TYR HA H 56 4.520 4.520 4.465 0.055 25449 3882 1 8 . 1 1 56 56 TYR C C 56 175.000 175.000 175.938 -0.938 25449 3883 1 8 . 1 1 56 56 TYR CA C 56 59.700 59.700 59.345 0.355 25449 3884 1 8 . 1 1 56 56 TYR CB C 56 40.200 40.200 39.989 0.211 25449 3885 1 8 . 1 1 56 56 TYR H H 56 9.470 9.470 8.839 0.631 25449 3886 1 8 . 1 1 57 57 VAL N N 57 119.200 119.200 118.610 0.590 25449 3887 1 8 . 1 1 57 57 VAL HA H 57 3.570 3.570 4.058 -0.487 25449 3888 1 8 . 1 1 57 57 VAL C C 57 177.000 177.000 175.584 1.416 25449 3889 1 8 . 1 1 57 57 VAL CA C 57 66.300 66.300 64.478 1.822 25449 3890 1 8 . 1 1 57 57 VAL CB C 57 32.000 32.000 32.527 -0.527 25449 3891 1 8 . 1 1 57 57 VAL H H 57 7.800 7.800 8.131 -0.331 25449 3892 1 8 . 1 1 58 58 GLU N N 58 118.500 118.500 118.597 -0.097 25449 3893 1 8 . 1 1 58 58 GLU HA H 58 4.780 4.780 4.563 0.217 25449 3894 1 8 . 1 1 58 58 GLU C C 58 177.500 177.500 176.718 0.782 25449 3895 1 8 . 1 1 58 58 GLU CA C 58 53.800 53.800 55.242 -1.442 25449 3896 1 8 . 1 1 58 58 GLU CB C 58 30.500 30.500 30.567 -0.067 25449 3897 1 8 . 1 1 58 58 GLU H H 58 9.530 9.530 8.101 1.429 25449 3898 1 8 . 1 1 59 59 VAL N N 59 125.200 125.200 124.095 1.105 25449 3899 1 8 . 1 1 59 59 VAL HA H 59 3.530 3.530 3.828 -0.298 25449 3900 1 8 . 1 1 59 59 VAL C C 59 177.600 177.600 176.937 0.663 25449 3901 1 8 . 1 1 59 59 VAL CA C 59 66.100 66.100 65.233 0.867 25449 3902 1 8 . 1 1 59 59 VAL CB C 59 31.700 31.700 32.289 -0.589 25449 3903 1 8 . 1 1 59 59 VAL H H 59 8.650 8.650 8.704 -0.054 25449 3904 1 8 . 1 1 60 60 ASP N N 60 118.500 118.500 119.575 -1.075 25449 3905 1 8 . 1 1 60 60 ASP HA H 60 4.220 4.220 4.479 -0.259 25449 3906 1 8 . 1 1 60 60 ASP C C 60 178.300 178.300 177.696 0.604 25449 3907 1 8 . 1 1 60 60 ASP CA C 60 57.600 57.600 57.650 -0.050 25449 3908 1 8 . 1 1 60 60 ASP CB C 60 40.500 40.500 40.486 0.014 25449 3909 1 8 . 1 1 60 60 ASP H H 60 8.970 8.970 8.536 0.434 25449 3910 1 8 . 1 1 61 61 ASP N N 61 119.900 119.900 120.192 -0.292 25449 3911 1 8 . 1 1 61 61 ASP HA H 61 4.360 4.360 4.269 0.091 25449 3912 1 8 . 1 1 61 61 ASP C C 61 176.800 176.800 178.449 -1.649 25449 3913 1 8 . 1 1 61 61 ASP CA C 61 56.900 56.900 57.580 -0.680 25449 3914 1 8 . 1 1 61 61 ASP CB C 61 39.800 39.800 40.357 -0.557 25449 3915 1 8 . 1 1 61 61 ASP H H 61 6.920 6.920 8.483 -1.563 25449 3916 1 8 . 1 1 62 62 ALA N N 62 122.700 122.700 122.080 0.620 25449 3917 1 8 . 1 1 62 62 ALA HA H 62 3.380 3.380 3.231 0.149 25449 3918 1 8 . 1 1 62 62 ALA C C 62 171.600 171.600 179.242 -7.642 25449 3919 1 8 . 1 1 62 62 ALA CA C 62 55.100 55.100 54.836 0.264 25449 3920 1 8 . 1 1 62 62 ALA CB C 62 18.200 18.200 18.234 -0.034 25449 3921 1 8 . 1 1 62 62 ALA H H 62 6.910 6.910 7.808 -0.898 25449 3922 1 8 . 1 1 63 63 LYS N N 63 116.200 116.200 118.210 -2.010 25449 3923 1 8 . 1 1 63 63 LYS HA H 63 4.190 4.190 3.876 0.314 25449 3924 1 8 . 1 1 63 63 LYS C C 63 179.200 179.200 178.780 0.420 25449 3925 1 8 . 1 1 63 63 LYS CA C 63 59.300 59.300 59.769 -0.469 25449 3926 1 8 . 1 1 63 63 LYS CB C 63 32.600 32.600 32.276 0.324 25449 3927 1 8 . 1 1 63 63 LYS H H 63 8.020 8.020 7.494 0.526 25449 3928 1 8 . 1 1 64 64 HIS N N 64 117.400 117.400 117.805 -0.405 25449 3929 1 8 . 1 1 64 64 HIS HA H 64 4.310 4.310 4.288 0.022 25449 3930 1 8 . 1 1 64 64 HIS CA C 64 58.000 58.000 58.897 -0.897 25449 3931 1 8 . 1 1 64 64 HIS CB C 64 29.100 29.100 30.096 -0.996 25449 3932 1 8 . 1 1 64 64 HIS H H 64 7.460 7.460 7.650 -0.190 25449 3933 1 8 . 1 1 65 65 ALA N N 65 123.700 123.700 122.217 1.483 25449 3934 1 8 . 1 1 65 65 ALA HA H 65 2.170 2.170 3.899 -1.729 25449 3935 1 8 . 1 1 65 65 ALA C C 65 178.700 178.700 179.180 -0.480 25449 3936 1 8 . 1 1 65 65 ALA CA C 65 54.800 54.800 54.911 -0.112 25449 3937 1 8 . 1 1 65 65 ALA CB C 65 19.400 19.400 18.604 0.796 25449 3938 1 8 . 1 1 65 65 ALA H H 65 8.190 8.190 7.927 0.263 25449 3939 1 8 . 1 1 66 66 LEU N N 66 119.800 119.800 118.745 1.055 25449 3940 1 8 . 1 1 66 66 LEU HA H 66 3.430 3.430 4.123 -0.693 25449 3941 1 8 . 1 1 66 66 LEU C C 66 178.700 178.700 178.848 -0.148 25449 3942 1 8 . 1 1 66 66 LEU CA C 66 59.700 59.700 57.583 2.117 25449 3943 1 8 . 1 1 66 66 LEU CB C 66 41.100 41.100 41.637 -0.537 25449 3944 1 8 . 1 1 66 66 LEU H H 66 8.340 8.340 7.452 0.888 25449 3945 1 8 . 1 1 67 67 TYR N N 67 116.200 116.200 119.681 -3.481 25449 3946 1 8 . 1 1 67 67 TYR HA H 67 4.010 4.010 4.072 -0.062 25449 3947 1 8 . 1 1 67 67 TYR C C 67 177.700 177.700 177.482 0.218 25449 3948 1 8 . 1 1 67 67 TYR CA C 67 60.500 60.500 62.038 -1.538 25449 3949 1 8 . 1 1 67 67 TYR CB C 67 38.100 38.100 38.311 -0.211 25449 3950 1 8 . 1 1 67 67 TYR H H 67 7.760 7.760 7.768 -0.008 25449 3951 1 8 . 1 1 68 68 ASN N N 68 113.900 113.900 115.058 -1.158 25449 3952 1 8 . 1 1 68 68 ASN HA H 68 4.430 4.430 4.668 -0.238 25449 3953 1 8 . 1 1 68 68 ASN C C 68 176.400 176.400 175.831 0.569 25449 3954 1 8 . 1 1 68 68 ASN CA C 68 55.600 55.600 54.406 1.194 25449 3955 1 8 . 1 1 68 68 ASN CB C 68 41.400 41.400 38.490 2.910 25449 3956 1 8 . 1 1 68 68 ASN H H 68 7.480 7.480 7.947 -0.467 25449 3957 1 8 . 1 1 69 69 MET N N 69 114.900 114.900 115.978 -1.078 25449 3958 1 8 . 1 1 69 69 MET HA H 69 4.760 4.760 4.658 0.102 25449 3959 1 8 . 1 1 69 69 MET C C 69 177.000 177.000 176.552 0.448 25449 3960 1 8 . 1 1 69 69 MET CA C 69 53.500 53.500 54.060 -0.560 25449 3961 1 8 . 1 1 69 69 MET CB C 69 31.100 31.100 32.584 -1.484 25449 3962 1 8 . 1 1 69 69 MET H H 69 8.310 8.310 7.635 0.675 25449 3963 1 8 . 1 1 70 70 ASN N N 70 117.700 117.700 118.787 -1.087 25449 3964 1 8 . 1 1 70 70 ASN HA H 70 4.370 4.370 4.716 -0.346 25449 3965 1 8 . 1 1 70 70 ASN C C 70 176.400 176.400 175.665 0.735 25449 3966 1 8 . 1 1 70 70 ASN CA C 70 56.100 56.100 54.941 1.159 25449 3967 1 8 . 1 1 70 70 ASN CB C 70 38.700 38.700 38.527 0.173 25449 3968 1 8 . 1 1 70 70 ASN H H 70 7.660 7.660 7.908 -0.248 25449 3969 1 8 . 1 1 71 71 ASN N N 71 121.500 121.500 116.214 5.286 25449 3970 1 8 . 1 1 71 71 ASN HA H 71 4.510 4.510 4.695 -0.185 25449 3971 1 8 . 1 1 71 71 ASN C C 71 173.300 173.300 174.317 -1.017 25449 3972 1 8 . 1 1 71 71 ASN CA C 71 55.800 55.800 52.672 3.128 25449 3973 1 8 . 1 1 71 71 ASN CB C 71 38.200 38.200 38.106 0.094 25449 3974 1 8 . 1 1 71 71 ASN H H 71 8.600 8.600 8.245 0.355 25449 3975 1 8 . 1 1 72 72 PHE N N 72 122.300 122.300 121.857 0.443 25449 3976 1 8 . 1 1 72 72 PHE HA H 72 4.190 4.190 4.586 -0.396 25449 3977 1 8 . 1 1 72 72 PHE C C 72 174.100 174.100 173.788 0.312 25449 3978 1 8 . 1 1 72 72 PHE CA C 72 58.700 58.700 56.983 1.717 25449 3979 1 8 . 1 1 72 72 PHE CB C 72 41.300 41.300 41.219 0.081 25449 3980 1 8 . 1 1 72 72 PHE H H 72 7.870 7.870 7.516 0.354 25449 3981 1 8 . 1 1 73 73 GLU N N 73 126.100 126.100 128.093 -1.993 25449 3982 1 8 . 1 1 73 73 GLU HA H 73 4.230 4.230 4.329 -0.099 25449 3983 1 8 . 1 1 73 73 GLU C C 73 173.000 173.000 174.495 -1.495 25449 3984 1 8 . 1 1 73 73 GLU CA C 73 55.600 55.600 54.972 0.628 25449 3985 1 8 . 1 1 73 73 GLU CB C 73 30.300 30.300 31.204 -0.904 25449 3986 1 8 . 1 1 73 73 GLU H H 73 7.690 7.690 8.247 -0.557 25449 3987 1 8 . 1 1 74 74 LEU N N 74 128.900 128.900 127.813 1.087 25449 3988 1 8 . 1 1 74 74 LEU HA H 74 4.520 4.520 4.274 0.246 25449 3989 1 8 . 1 1 74 74 LEU C C 74 175.500 175.500 175.593 -0.093 25449 3990 1 8 . 1 1 74 74 LEU CA C 74 53.300 53.300 54.338 -1.038 25449 3991 1 8 . 1 1 74 74 LEU CB C 74 44.600 44.600 42.591 2.009 25449 3992 1 8 . 1 1 74 74 LEU H H 74 8.620 8.620 8.026 0.594 25449 3993 1 8 . 1 1 75 75 ASN N N 75 126.800 126.800 122.209 4.591 25449 3994 1 8 . 1 1 75 75 ASN HA H 75 4.210 4.210 4.473 -0.263 25449 3995 1 8 . 1 1 75 75 ASN C C 75 175.600 175.600 175.487 0.113 25449 3996 1 8 . 1 1 75 75 ASN CA C 75 53.900 53.900 53.885 0.016 25449 3997 1 8 . 1 1 75 75 ASN CB C 75 36.900 36.900 37.317 -0.417 25449 3998 1 8 . 1 1 75 75 ASN H H 75 9.520 9.520 8.869 0.651 25449 3999 1 8 . 1 1 76 76 GLY N N 76 102.300 102.300 103.456 -1.156 25449 4000 1 8 . 1 1 76 76 GLY C C 76 173.600 173.600 173.815 -0.215 25449 4001 1 8 . 1 1 76 76 GLY CA C 76 45.300 45.300 45.343 -0.043 25449 4002 1 8 . 1 1 76 76 GLY H H 76 8.500 8.500 8.295 0.205 25449 4003 1 8 . 1 1 77 77 LYS N N 77 120.800 120.800 119.667 1.133 25449 4004 1 8 . 1 1 77 77 LYS HA H 77 4.570 4.570 4.441 0.129 25449 4005 1 8 . 1 1 77 77 LYS C C 77 175.100 175.100 175.387 -0.287 25449 4006 1 8 . 1 1 77 77 LYS CA C 77 54.200 54.200 54.519 -0.319 25449 4007 1 8 . 1 1 77 77 LYS CB C 77 34.500 34.500 33.993 0.507 25449 4008 1 8 . 1 1 77 77 LYS H H 77 7.580 7.580 7.714 -0.134 25449 4009 1 8 . 1 1 78 78 ARG N N 78 123.300 123.300 125.941 -2.641 25449 4010 1 8 . 1 1 78 78 ARG HA H 78 4.480 4.480 4.166 0.314 25449 4011 1 8 . 1 1 78 78 ARG C C 78 176.600 176.600 175.354 1.246 25449 4012 1 8 . 1 1 78 78 ARG CA C 78 55.300 55.300 55.683 -0.383 25449 4013 1 8 . 1 1 78 78 ARG CB C 78 30.300 30.300 30.046 0.254 25449 4014 1 8 . 1 1 78 78 ARG H H 78 8.580 8.580 8.592 -0.012 25449 4015 1 8 . 1 1 79 79 ILE N N 79 120.100 120.100 122.576 -2.476 25449 4016 1 8 . 1 1 79 79 ILE HA H 79 4.700 4.700 4.337 0.363 25449 4017 1 8 . 1 1 79 79 ILE C C 79 175.200 175.200 174.498 0.702 25449 4018 1 8 . 1 1 79 79 ILE CA C 79 60.000 60.000 58.998 1.002 25449 4019 1 8 . 1 1 79 79 ILE CB C 79 39.400 39.400 39.711 -0.311 25449 4020 1 8 . 1 1 79 79 ILE H H 79 8.450 8.450 8.153 0.297 25449 4021 1 8 . 1 1 80 80 HIS N N 80 119.900 119.900 126.451 -6.551 25449 4022 1 8 . 1 1 80 80 HIS HA H 80 5.190 5.190 4.599 0.591 25449 4023 1 8 . 1 1 80 80 HIS C C 80 173.600 173.600 174.860 -1.260 25449 4024 1 8 . 1 1 80 80 HIS CA C 80 53.800 53.800 55.599 -1.799 25449 4025 1 8 . 1 1 80 80 HIS CB C 80 31.300 31.300 30.051 1.249 25449 4026 1 8 . 1 1 80 80 HIS H H 80 8.580 8.580 8.389 0.191 25449 4027 1 8 . 1 1 81 81 VAL N N 81 123.800 123.800 125.998 -2.198 25449 4028 1 8 . 1 1 81 81 VAL HA H 81 5.280 5.280 4.644 0.636 25449 4029 1 8 . 1 1 81 81 VAL C C 81 173.600 173.600 174.745 -1.145 25449 4030 1 8 . 1 1 81 81 VAL CA C 81 60.200 60.200 61.677 -1.477 25449 4031 1 8 . 1 1 81 81 VAL CB C 81 35.000 35.000 32.931 2.069 25449 4032 1 8 . 1 1 81 81 VAL H H 81 8.650 8.650 8.667 -0.017 25449 4033 1 8 . 1 1 82 82 ASN N N 82 121.100 121.100 123.872 -2.772 25449 4034 1 8 . 1 1 82 82 ASN HA H 82 4.750 4.750 5.320 -0.570 25449 4035 1 8 . 1 1 82 82 ASN C C 82 174.000 174.000 173.436 0.564 25449 4036 1 8 . 1 1 82 82 ASN CA C 82 51.900 51.900 52.216 -0.316 25449 4037 1 8 . 1 1 82 82 ASN CB C 82 42.900 42.900 42.284 0.616 25449 4038 1 8 . 1 1 82 82 ASN H H 82 8.890 8.890 8.315 0.575 25449 4039 1 8 . 1 1 83 83 TYR N N 83 120.400 120.400 120.501 -0.101 25449 4040 1 8 . 1 1 83 83 TYR HA H 83 4.800 4.800 4.776 0.024 25449 4041 1 8 . 1 1 83 83 TYR C C 83 177.100 177.100 174.852 2.248 25449 4042 1 8 . 1 1 83 83 TYR CA C 83 59.400 59.400 58.329 1.071 25449 4043 1 8 . 1 1 83 83 TYR CB C 83 38.700 38.700 39.473 -0.773 25449 4044 1 8 . 1 1 83 83 TYR H H 83 8.480 8.480 8.630 -0.150 25449 4045 1 8 . 1 1 84 84 SER N N 84 118.000 118.000 116.425 1.575 25449 4046 1 8 . 1 1 84 84 SER HA H 84 4.520 4.520 4.457 0.063 25449 4047 1 8 . 1 1 84 84 SER C C 84 174.100 174.100 172.814 1.286 25449 4048 1 8 . 1 1 84 84 SER CA C 84 57.700 57.700 56.902 0.798 25449 4049 1 8 . 1 1 84 84 SER CB C 84 64.300 64.300 64.004 0.296 25449 4050 1 8 . 1 1 84 84 SER H H 84 9.040 9.040 7.961 1.079 25449 4051 1 8 . 1 1 85 85 LYS N N 85 125.300 125.300 121.576 3.724 25449 4052 1 8 . 1 1 85 85 LYS HA H 85 4.440 4.440 4.403 0.037 25449 4053 1 8 . 1 1 85 85 LYS C C 85 175.600 175.600 175.070 0.530 25449 4054 1 8 . 1 1 85 85 LYS CA C 85 56.300 56.300 55.673 0.627 25449 4055 1 8 . 1 1 85 85 LYS CB C 85 33.700 33.700 32.157 1.543 25449 4056 1 8 . 1 1 85 85 LYS H H 85 8.410 8.410 8.149 0.261 25449 4057 1 9 . 1 1 -1 -1 SER N N -1 115.600 115.600 116.578 -0.978 25449 4058 1 9 . 1 1 -1 -1 SER HA H -1 4.410 4.410 4.622 -0.212 25449 4059 1 9 . 1 1 -1 -1 SER C C -1 172.000 172.000 173.629 -1.629 25449 4060 1 9 . 1 1 -1 -1 SER CA C -1 58.200 58.200 57.803 0.397 25449 4061 1 9 . 1 1 -1 -1 SER CB C -1 63.900 63.900 64.963 -1.063 25449 4062 1 9 . 1 1 -1 -1 SER H H -1 8.670 8.670 8.382 0.288 25449 4063 1 9 . 1 1 0 0 HIS N N 0 121.200 121.200 119.756 1.444 25449 4064 1 9 . 1 1 0 0 HIS HA H 0 4.590 4.590 4.338 0.252 25449 4065 1 9 . 1 1 0 0 HIS C C 0 174.800 174.800 174.223 0.577 25449 4066 1 9 . 1 1 0 0 HIS CA C 0 56.100 56.100 56.206 -0.106 25449 4067 1 9 . 1 1 0 0 HIS CB C 0 29.900 29.900 29.943 -0.043 25449 4068 1 9 . 1 1 0 0 HIS H H 0 8.730 8.730 8.536 0.194 25449 4069 1 9 . 1 1 1 1 MET N N 1 121.800 121.800 124.821 -3.021 25449 4070 1 9 . 1 1 1 1 MET HA H 1 4.370 4.370 4.348 0.022 25449 4071 1 9 . 1 1 1 1 MET C C 1 176.300 176.300 176.156 0.144 25449 4072 1 9 . 1 1 1 1 MET CA C 1 55.700 55.700 55.822 -0.122 25449 4073 1 9 . 1 1 1 1 MET CB C 1 32.800 32.800 32.760 0.040 25449 4074 1 9 . 1 1 1 1 MET H H 1 8.450 8.450 8.272 0.178 25449 4075 1 9 . 1 1 2 2 SER N N 2 116.700 116.700 121.154 -4.454 25449 4076 1 9 . 1 1 2 2 SER HA H 2 4.370 4.370 4.644 -0.274 25449 4077 1 9 . 1 1 2 2 SER C C 2 174.200 174.200 174.198 0.002 25449 4078 1 9 . 1 1 2 2 SER CA C 2 58.400 58.400 58.069 0.331 25449 4079 1 9 . 1 1 2 2 SER CB C 2 63.800 63.800 64.828 -1.028 25449 4080 1 9 . 1 1 2 2 SER H H 2 8.410 8.410 8.515 -0.105 25449 4081 1 9 . 1 1 3 3 ASP N N 3 122.100 122.100 124.701 -2.601 25449 4082 1 9 . 1 1 3 3 ASP HA H 3 4.550 4.550 4.646 -0.096 25449 4083 1 9 . 1 1 3 3 ASP C C 3 176.100 176.100 174.880 1.220 25449 4084 1 9 . 1 1 3 3 ASP CA C 3 54.500 54.500 54.230 0.270 25449 4085 1 9 . 1 1 3 3 ASP CB C 3 41.200 41.200 41.118 0.082 25449 4086 1 9 . 1 1 3 3 ASP H H 3 8.340 8.340 8.725 -0.385 25449 4087 1 9 . 1 1 4 4 ASN N N 4 119.100 119.100 115.798 3.302 25449 4088 1 9 . 1 1 4 4 ASN HA H 4 4.580 4.580 4.632 -0.052 25449 4089 1 9 . 1 1 4 4 ASN C C 4 174.900 174.900 173.870 1.030 25449 4090 1 9 . 1 1 4 4 ASN CA C 4 53.700 53.700 52.430 1.270 25449 4091 1 9 . 1 1 4 4 ASN CB C 4 38.900 38.900 39.763 -0.863 25449 4092 1 9 . 1 1 4 4 ASN H H 4 8.420 8.420 7.637 0.783 25449 4093 1 9 . 1 1 5 5 ASN N N 5 118.400 118.400 118.229 0.171 25449 4094 1 9 . 1 1 5 5 ASN HA H 5 4.540 4.540 4.657 -0.117 25449 4095 1 9 . 1 1 5 5 ASN C C 5 173.900 173.900 174.359 -0.459 25449 4096 1 9 . 1 1 5 5 ASN CA C 5 53.200 53.200 52.727 0.473 25449 4097 1 9 . 1 1 5 5 ASN CB C 5 38.700 38.700 38.764 -0.064 25449 4098 1 9 . 1 1 5 5 ASN H H 5 8.340 8.340 8.519 -0.179 25449 4099 1 9 . 1 1 6 6 ALA N N 6 122.100 122.100 118.777 3.323 25449 4100 1 9 . 1 1 6 6 ALA HA H 6 2.740 2.740 3.662 -0.922 25449 4101 1 9 . 1 1 6 6 ALA C C 6 177.000 177.000 176.249 0.751 25449 4102 1 9 . 1 1 6 6 ALA CA C 6 52.300 52.300 52.216 0.084 25449 4103 1 9 . 1 1 6 6 ALA CB C 6 20.000 20.000 19.044 0.956 25449 4104 1 9 . 1 1 6 6 ALA H H 6 7.590 7.590 7.427 0.163 25449 4105 1 9 . 1 1 7 7 THR N N 7 112.700 112.700 117.482 -4.782 25449 4106 1 9 . 1 1 7 7 THR HA H 7 4.390 4.390 4.340 0.050 25449 4107 1 9 . 1 1 7 7 THR C C 7 171.700 171.700 175.097 -3.397 25449 4108 1 9 . 1 1 7 7 THR CA C 7 59.800 59.800 61.671 -1.871 25449 4109 1 9 . 1 1 7 7 THR CB C 7 70.600 70.600 70.116 0.484 25449 4110 1 9 . 1 1 7 7 THR H H 7 6.840 6.840 7.943 -1.103 25449 4111 1 9 . 1 1 8 8 ASP N N 8 114.600 114.600 122.483 -7.883 25449 4112 1 9 . 1 1 8 8 ASP HA H 8 4.490 4.490 4.312 0.178 25449 4113 1 9 . 1 1 8 8 ASP C C 8 174.300 174.300 174.428 -0.128 25449 4114 1 9 . 1 1 8 8 ASP CA C 8 53.500 53.500 55.874 -2.374 25449 4115 1 9 . 1 1 8 8 ASP CB C 8 39.800 39.800 40.092 -0.292 25449 4116 1 9 . 1 1 8 8 ASP H H 8 8.170 8.170 8.802 -0.632 25449 4117 1 9 . 1 1 9 9 ILE N N 9 117.800 117.800 118.587 -0.787 25449 4118 1 9 . 1 1 9 9 ILE HA H 9 4.810 4.810 5.115 -0.305 25449 4119 1 9 . 1 1 9 9 ILE C C 9 174.700 174.700 174.329 0.371 25449 4120 1 9 . 1 1 9 9 ILE CA C 9 60.600 60.600 60.365 0.235 25449 4121 1 9 . 1 1 9 9 ILE CB C 9 40.300 40.300 40.372 -0.072 25449 4122 1 9 . 1 1 9 9 ILE H H 9 7.890 7.890 7.509 0.381 25449 4123 1 9 . 1 1 10 10 LEU N N 10 125.300 125.300 126.643 -1.343 25449 4124 1 9 . 1 1 10 10 LEU HA H 10 4.960 4.960 4.824 0.136 25449 4125 1 9 . 1 1 10 10 LEU C C 10 176.100 176.100 175.036 1.064 25449 4126 1 9 . 1 1 10 10 LEU CA C 10 52.900 52.900 54.225 -1.325 25449 4127 1 9 . 1 1 10 10 LEU CB C 10 43.100 43.100 45.008 -1.908 25449 4128 1 9 . 1 1 10 10 LEU H H 10 9.370 9.370 8.395 0.975 25449 4129 1 9 . 1 1 11 11 PHE N N 11 124.300 124.300 127.511 -3.211 25449 4130 1 9 . 1 1 11 11 PHE HA H 11 4.670 4.670 4.660 0.010 25449 4131 1 9 . 1 1 11 11 PHE C C 11 173.400 173.400 173.821 -0.421 25449 4132 1 9 . 1 1 11 11 PHE CA C 11 57.000 57.000 56.732 0.268 25449 4133 1 9 . 1 1 11 11 PHE CB C 11 40.700 40.700 39.869 0.831 25449 4134 1 9 . 1 1 11 11 PHE H H 11 9.310 9.310 8.221 1.089 25449 4135 1 9 . 1 1 12 12 VAL N N 12 128.300 128.300 128.859 -0.559 25449 4136 1 9 . 1 1 12 12 VAL HA H 12 4.420 4.420 4.253 0.167 25449 4137 1 9 . 1 1 12 12 VAL C C 12 173.900 173.900 175.350 -1.450 25449 4138 1 9 . 1 1 12 12 VAL CA C 12 60.200 60.200 61.487 -1.287 25449 4139 1 9 . 1 1 12 12 VAL CB C 12 33.100 33.100 31.929 1.171 25449 4140 1 9 . 1 1 12 12 VAL H H 12 8.380 8.380 7.813 0.567 25449 4141 1 9 . 1 1 13 13 GLY N N 13 111.800 111.800 113.411 -1.611 25449 4142 1 9 . 1 1 13 13 GLY C C 13 173.800 173.800 173.451 0.349 25449 4143 1 9 . 1 1 13 13 GLY CA C 13 43.400 43.400 43.241 0.159 25449 4144 1 9 . 1 1 13 13 GLY H H 13 9.150 9.150 7.550 1.600 25449 4145 1 9 . 1 1 14 14 GLY N N 14 107.600 107.600 108.509 -0.909 25449 4146 1 9 . 1 1 14 14 GLY C C 14 175.400 175.400 173.721 1.679 25449 4147 1 9 . 1 1 14 14 GLY CA C 14 45.800 45.800 44.837 0.963 25449 4148 1 9 . 1 1 14 14 GLY H H 14 8.260 8.260 8.350 -0.090 25449 4149 1 9 . 1 1 15 15 ILE N N 15 111.100 111.100 115.647 -4.547 25449 4150 1 9 . 1 1 15 15 ILE HA H 15 4.040 4.040 4.407 -0.367 25449 4151 1 9 . 1 1 15 15 ILE C C 15 175.500 175.500 174.561 0.939 25449 4152 1 9 . 1 1 15 15 ILE CA C 15 60.500 60.500 59.105 1.395 25449 4153 1 9 . 1 1 15 15 ILE CB C 15 38.500 38.500 39.320 -0.820 25449 4154 1 9 . 1 1 15 15 ILE H H 15 6.930 6.930 7.236 -0.306 25449 4155 1 9 . 1 1 16 16 ASP N N 16 122.800 122.800 124.319 -1.519 25449 4156 1 9 . 1 1 16 16 ASP HA H 16 4.580 4.580 4.617 -0.037 25449 4157 1 9 . 1 1 16 16 ASP C C 16 177.200 177.200 177.553 -0.353 25449 4158 1 9 . 1 1 16 16 ASP CA C 16 53.700 53.700 53.091 0.609 25449 4159 1 9 . 1 1 16 16 ASP CB C 16 42.500 42.500 43.388 -0.888 25449 4160 1 9 . 1 1 16 16 ASP H H 16 8.320 8.320 8.367 -0.047 25449 4161 1 9 . 1 1 17 17 GLU N N 17 119.600 119.600 120.757 -1.157 25449 4162 1 9 . 1 1 17 17 GLU HA H 17 4.140 4.140 4.043 0.097 25449 4163 1 9 . 1 1 17 17 GLU C C 17 176.800 176.800 177.362 -0.562 25449 4164 1 9 . 1 1 17 17 GLU CA C 17 58.600 58.600 58.470 0.130 25449 4165 1 9 . 1 1 17 17 GLU CB C 17 29.800 29.800 29.353 0.447 25449 4166 1 9 . 1 1 17 17 GLU H H 17 8.830 8.830 8.741 0.089 25449 4167 1 9 . 1 1 18 18 THR N N 18 111.300 111.300 114.436 -3.136 25449 4168 1 9 . 1 1 18 18 THR HA H 18 4.250 4.250 4.462 -0.212 25449 4169 1 9 . 1 1 18 18 THR C C 18 175.200 175.200 173.677 1.523 25449 4170 1 9 . 1 1 18 18 THR CA C 18 62.600 62.600 61.567 1.033 25449 4171 1 9 . 1 1 18 18 THR CB C 18 69.600 69.600 68.455 1.145 25449 4172 1 9 . 1 1 18 18 THR H H 18 8.740 8.740 7.573 1.167 25449 4173 1 9 . 1 1 19 19 ILE N N 19 123.300 123.300 118.331 4.969 25449 4174 1 9 . 1 1 19 19 ILE HA H 19 3.880 3.880 4.657 -0.777 25449 4175 1 9 . 1 1 19 19 ILE C C 19 174.300 174.300 174.414 -0.114 25449 4176 1 9 . 1 1 19 19 ILE CA C 19 59.900 59.900 58.018 1.882 25449 4177 1 9 . 1 1 19 19 ILE CB C 19 35.600 35.600 38.919 -3.319 25449 4178 1 9 . 1 1 19 19 ILE H H 19 7.220 7.220 7.303 -0.083 25449 4179 1 9 . 1 1 20 20 ASP N N 20 125.600 125.600 122.119 3.481 25449 4180 1 9 . 1 1 20 20 ASP HA H 20 4.640 4.640 4.772 -0.132 25449 4181 1 9 . 1 1 20 20 ASP C C 20 175.300 175.300 176.264 -0.964 25449 4182 1 9 . 1 1 20 20 ASP CA C 20 51.500 51.500 54.104 -2.604 25449 4183 1 9 . 1 1 20 20 ASP CB C 20 43.000 43.000 43.170 -0.170 25449 4184 1 9 . 1 1 20 20 ASP H H 20 7.790 7.790 8.161 -0.371 25449 4185 1 9 . 1 1 21 21 GLU N N 21 118.400 118.400 121.012 -2.612 25449 4186 1 9 . 1 1 21 21 GLU HA H 21 3.630 3.630 3.967 -0.337 25449 4187 1 9 . 1 1 21 21 GLU C C 21 177.900 177.900 178.222 -0.322 25449 4188 1 9 . 1 1 21 21 GLU CA C 21 60.900 60.900 60.147 0.753 25449 4189 1 9 . 1 1 21 21 GLU CB C 21 29.200 29.200 29.841 -0.641 25449 4190 1 9 . 1 1 21 21 GLU H H 21 9.220 9.220 8.995 0.225 25449 4191 1 9 . 1 1 22 22 LYS N N 22 119.700 119.700 117.875 1.825 25449 4192 1 9 . 1 1 22 22 LYS HA H 22 4.060 4.060 4.326 -0.266 25449 4193 1 9 . 1 1 22 22 LYS C C 22 178.500 178.500 178.693 -0.193 25449 4194 1 9 . 1 1 22 22 LYS CA C 22 59.300 59.300 58.500 0.800 25449 4195 1 9 . 1 1 22 22 LYS CB C 22 31.800 31.800 31.946 -0.146 25449 4196 1 9 . 1 1 22 22 LYS H H 22 8.040 8.040 8.116 -0.076 25449 4197 1 9 . 1 1 23 23 SER N N 23 114.900 114.900 117.098 -2.198 25449 4198 1 9 . 1 1 23 23 SER HA H 23 4.300 4.300 4.255 0.045 25449 4199 1 9 . 1 1 23 23 SER C C 23 177.600 177.600 176.324 1.276 25449 4200 1 9 . 1 1 23 23 SER CA C 23 61.800 61.800 60.972 0.828 25449 4201 1 9 . 1 1 23 23 SER CB C 23 62.900 62.900 62.764 0.136 25449 4202 1 9 . 1 1 23 23 SER H H 23 8.240 8.240 8.088 0.152 25449 4203 1 9 . 1 1 24 24 LEU N N 24 118.800 118.800 120.984 -2.184 25449 4204 1 9 . 1 1 24 24 LEU HA H 24 4.180 4.180 4.224 -0.044 25449 4205 1 9 . 1 1 24 24 LEU C C 24 178.700 178.700 178.888 -0.188 25449 4206 1 9 . 1 1 24 24 LEU CA C 24 57.300 57.300 56.865 0.435 25449 4207 1 9 . 1 1 24 24 LEU CB C 24 42.100 42.100 41.753 0.347 25449 4208 1 9 . 1 1 24 24 LEU H H 24 7.750 7.750 7.825 -0.075 25449 4209 1 9 . 1 1 25 25 TYR N N 25 123.200 123.200 121.022 2.178 25449 4210 1 9 . 1 1 25 25 TYR HA H 25 3.630 3.630 4.119 -0.489 25449 4211 1 9 . 1 1 25 25 TYR C C 25 178.600 178.600 177.268 1.332 25449 4212 1 9 . 1 1 25 25 TYR CA C 25 63.200 63.200 60.931 2.269 25449 4213 1 9 . 1 1 25 25 TYR CB C 25 38.200 38.200 38.583 -0.383 25449 4214 1 9 . 1 1 25 25 TYR H H 25 8.970 8.970 7.554 1.416 25449 4215 1 9 . 1 1 26 26 ASP N N 26 119.800 119.800 119.266 0.534 25449 4216 1 9 . 1 1 26 26 ASP HA H 26 4.270 4.270 4.513 -0.243 25449 4217 1 9 . 1 1 26 26 ASP C C 26 177.900 177.900 179.057 -1.157 25449 4218 1 9 . 1 1 26 26 ASP CA C 26 57.700 57.700 57.683 0.017 25449 4219 1 9 . 1 1 26 26 ASP CB C 26 40.000 40.000 41.038 -1.038 25449 4220 1 9 . 1 1 26 26 ASP H H 26 8.510 8.510 7.794 0.716 25449 4221 1 9 . 1 1 27 27 ILE N N 27 114.700 114.700 120.360 -5.660 25449 4222 1 9 . 1 1 27 27 ILE HA H 27 3.960 3.960 3.833 0.127 25449 4223 1 9 . 1 1 27 27 ILE C C 27 177.700 177.700 177.693 0.007 25449 4224 1 9 . 1 1 27 27 ILE CA C 27 63.300 63.300 64.970 -1.670 25449 4225 1 9 . 1 1 27 27 ILE CB C 27 39.000 39.000 38.274 0.726 25449 4226 1 9 . 1 1 27 27 ILE H H 27 7.320 7.320 7.623 -0.303 25449 4227 1 9 . 1 1 28 28 PHE N N 28 116.900 116.900 115.920 0.980 25449 4228 1 9 . 1 1 28 28 PHE HA H 28 4.370 4.370 4.466 -0.096 25449 4229 1 9 . 1 1 28 28 PHE C C 28 179.900 179.900 176.335 3.565 25449 4230 1 9 . 1 1 28 28 PHE CA C 28 62.300 62.300 59.419 2.881 25449 4231 1 9 . 1 1 28 28 PHE CB C 28 37.300 37.300 38.799 -1.499 25449 4232 1 9 . 1 1 28 28 PHE H H 28 8.650 8.650 8.188 0.462 25449 4233 1 9 . 1 1 29 29 SER N N 29 120.100 120.100 111.886 8.214 25449 4234 1 9 . 1 1 29 29 SER HA H 29 4.410 4.410 4.751 -0.341 25449 4235 1 9 . 1 1 29 29 SER C C 29 175.600 175.600 175.490 0.110 25449 4236 1 9 . 1 1 29 29 SER CA C 29 61.300 61.300 59.084 2.216 25449 4237 1 9 . 1 1 29 29 SER CB C 29 62.200 62.200 63.652 -1.452 25449 4238 1 9 . 1 1 29 29 SER H H 29 8.880 8.880 7.510 1.370 25449 4239 1 9 . 1 1 30 30 SER N N 30 116.200 116.200 117.607 -1.407 25449 4240 1 9 . 1 1 30 30 SER HA H 30 3.940 3.940 4.311 -0.371 25449 4241 1 9 . 1 1 30 30 SER C C 30 174.900 174.900 175.459 -0.559 25449 4242 1 9 . 1 1 30 30 SER CA C 30 60.400 60.400 60.859 -0.459 25449 4243 1 9 . 1 1 30 30 SER CB C 30 62.400 62.400 63.254 -0.854 25449 4244 1 9 . 1 1 30 30 SER H H 30 7.270 7.270 7.894 -0.624 25449 4245 1 9 . 1 1 31 31 PHE N N 31 115.600 115.600 121.534 -5.934 25449 4246 1 9 . 1 1 31 31 PHE HA H 31 4.280 4.280 4.615 -0.335 25449 4247 1 9 . 1 1 31 31 PHE C C 31 174.100 174.100 176.188 -2.088 25449 4248 1 9 . 1 1 31 31 PHE CA C 31 58.900 58.900 58.766 0.134 25449 4249 1 9 . 1 1 31 31 PHE CB C 31 39.300 39.300 40.439 -1.139 25449 4250 1 9 . 1 1 31 31 PHE H H 31 6.980 6.980 7.944 -0.964 25449 4251 1 9 . 1 1 32 32 GLY N N 32 104.900 104.900 107.566 -2.666 25449 4252 1 9 . 1 1 32 32 GLY C C 32 171.600 171.600 173.127 -1.527 25449 4253 1 9 . 1 1 32 32 GLY CA C 32 44.300 44.300 44.733 -0.433 25449 4254 1 9 . 1 1 32 32 GLY H H 32 7.300 7.300 7.564 -0.264 25449 4255 1 9 . 1 1 33 33 ASP N N 33 116.100 116.100 126.205 -10.105 25449 4256 1 9 . 1 1 33 33 ASP HA H 33 4.510 4.510 4.638 -0.128 25449 4257 1 9 . 1 1 33 33 ASP C C 33 176.800 176.800 174.641 2.159 25449 4258 1 9 . 1 1 33 33 ASP CA C 33 55.400 55.400 55.149 0.251 25449 4259 1 9 . 1 1 33 33 ASP CB C 33 40.600 40.600 42.562 -1.962 25449 4260 1 9 . 1 1 33 33 ASP H H 33 8.120 8.120 8.225 -0.105 25449 4261 1 9 . 1 1 34 34 ILE N N 34 126.400 126.400 119.194 7.206 25449 4262 1 9 . 1 1 34 34 ILE HA H 34 3.850 3.850 4.155 -0.305 25449 4263 1 9 . 1 1 34 34 ILE C C 34 176.200 176.200 176.359 -0.159 25449 4264 1 9 . 1 1 34 34 ILE CA C 34 60.200 60.200 58.245 1.955 25449 4265 1 9 . 1 1 34 34 ILE CB C 34 39.900 39.900 39.017 0.883 25449 4266 1 9 . 1 1 34 34 ILE H H 34 8.670 8.670 8.024 0.645 25449 4267 1 9 . 1 1 35 35 ARG N N 35 128.900 128.900 126.313 2.587 25449 4268 1 9 . 1 1 35 35 ARG HA H 35 4.160 4.160 4.169 -0.009 25449 4269 1 9 . 1 1 35 35 ARG C C 35 175.600 175.600 176.031 -0.431 25449 4270 1 9 . 1 1 35 35 ARG CA C 35 57.500 57.500 58.348 -0.848 25449 4271 1 9 . 1 1 35 35 ARG CB C 35 31.700 31.700 31.124 0.576 25449 4272 1 9 . 1 1 35 35 ARG H H 35 9.320 9.320 8.417 0.903 25449 4273 1 9 . 1 1 36 36 ASN N N 36 114.300 114.300 113.845 0.455 25449 4274 1 9 . 1 1 36 36 ASN HA H 36 4.710 4.710 4.754 -0.044 25449 4275 1 9 . 1 1 36 36 ASN C C 36 172.000 172.000 172.685 -0.685 25449 4276 1 9 . 1 1 36 36 ASN CA C 36 53.500 53.500 53.226 0.274 25449 4277 1 9 . 1 1 36 36 ASN CB C 36 42.600 42.600 40.137 2.463 25449 4278 1 9 . 1 1 36 36 ASN H H 36 7.620 7.620 8.087 -0.467 25449 4279 1 9 . 1 1 37 37 ILE N N 37 122.700 122.700 122.640 0.060 25449 4280 1 9 . 1 1 37 37 ILE HA H 37 4.770 4.770 4.316 0.454 25449 4281 1 9 . 1 1 37 37 ILE C C 37 173.300 173.300 174.262 -0.962 25449 4282 1 9 . 1 1 37 37 ILE CA C 37 60.600 60.600 61.550 -0.950 25449 4283 1 9 . 1 1 37 37 ILE CB C 37 41.200 41.200 40.793 0.407 25449 4284 1 9 . 1 1 37 37 ILE H H 37 8.030 8.030 8.480 -0.450 25449 4285 1 9 . 1 1 38 38 GLU N N 38 126.700 126.700 128.989 -2.289 25449 4286 1 9 . 1 1 38 38 GLU HA H 38 4.660 4.660 4.575 0.085 25449 4287 1 9 . 1 1 38 38 GLU C C 38 174.800 174.800 174.610 0.190 25449 4288 1 9 . 1 1 38 38 GLU CA C 38 54.400 54.400 55.581 -1.181 25449 4289 1 9 . 1 1 38 38 GLU CB C 38 33.400 33.400 30.370 3.030 25449 4290 1 9 . 1 1 38 38 GLU H H 38 8.870 8.870 8.601 0.269 25449 4291 1 9 . 1 1 39 39 VAL N N 39 126.400 126.400 126.238 0.162 25449 4292 1 9 . 1 1 39 39 VAL CA C 39 58.700 58.700 59.185 -0.485 25449 4293 1 9 . 1 1 39 39 VAL CB C 39 32.600 32.600 33.418 -0.818 25449 4294 1 9 . 1 1 39 39 VAL H H 39 8.970 8.970 8.397 0.573 25449 4295 1 9 . 1 1 40 40 PRO HA H 40 4.230 4.230 4.386 -0.156 25449 4296 1 9 . 1 1 40 40 PRO C C 40 176.300 176.300 175.290 1.010 25449 4297 1 9 . 1 1 40 40 PRO CA C 40 63.300 63.300 62.973 0.327 25449 4298 1 9 . 1 1 40 40 PRO CB C 40 32.500 32.500 31.694 0.806 25449 4299 1 9 . 1 1 41 41 LEU N N 41 120.700 120.700 125.272 -4.572 25449 4300 1 9 . 1 1 41 41 LEU HA H 41 4.520 4.520 4.432 0.088 25449 4301 1 9 . 1 1 41 41 LEU C C 41 177.900 177.900 175.715 2.185 25449 4302 1 9 . 1 1 41 41 LEU CA C 41 53.100 53.100 52.670 0.430 25449 4303 1 9 . 1 1 41 41 LEU CB C 41 44.300 44.300 43.188 1.112 25449 4304 1 9 . 1 1 41 41 LEU H H 41 8.520 8.520 8.289 0.231 25449 4305 1 9 . 1 1 42 42 ASN N N 42 121.400 121.400 123.878 -2.478 25449 4306 1 9 . 1 1 42 42 ASN HA H 42 4.560 4.560 4.713 -0.153 25449 4307 1 9 . 1 1 42 42 ASN C C 42 176.700 176.700 176.268 0.432 25449 4308 1 9 . 1 1 42 42 ASN CA C 42 52.900 52.900 53.192 -0.292 25449 4309 1 9 . 1 1 42 42 ASN CB C 42 39.000 39.000 40.429 -1.429 25449 4310 1 9 . 1 1 42 42 ASN H H 42 8.740 8.740 8.089 0.651 25449 4311 1 9 . 1 1 43 43 MET N N 43 125.500 125.500 125.310 0.190 25449 4312 1 9 . 1 1 43 43 MET HA H 43 4.210 4.210 4.384 -0.174 25449 4313 1 9 . 1 1 43 43 MET C C 43 177.200 177.200 176.805 0.395 25449 4314 1 9 . 1 1 43 43 MET CA C 43 57.100 57.100 57.491 -0.391 25449 4315 1 9 . 1 1 43 43 MET CB C 43 31.600 31.600 32.537 -0.937 25449 4316 1 9 . 1 1 43 43 MET H H 43 9.080 9.080 8.924 0.156 25449 4317 1 9 . 1 1 44 44 THR N N 44 114.400 114.400 113.854 0.546 25449 4318 1 9 . 1 1 44 44 THR HA H 44 4.160 4.160 4.372 -0.212 25449 4319 1 9 . 1 1 44 44 THR C C 44 175.900 175.900 175.778 0.122 25449 4320 1 9 . 1 1 44 44 THR CA C 44 65.200 65.200 64.961 0.239 25449 4321 1 9 . 1 1 44 44 THR CB C 44 68.700 68.700 69.334 -0.634 25449 4322 1 9 . 1 1 44 44 THR H H 44 8.590 8.590 8.142 0.448 25449 4323 1 9 . 1 1 45 45 THR N N 45 110.300 110.300 114.479 -4.179 25449 4324 1 9 . 1 1 45 45 THR HA H 45 4.160 4.160 4.355 -0.195 25449 4325 1 9 . 1 1 45 45 THR C C 45 175.500 175.500 174.049 1.451 25449 4326 1 9 . 1 1 45 45 THR CA C 45 62.000 62.000 61.413 0.587 25449 4327 1 9 . 1 1 45 45 THR CB C 45 70.000 70.000 69.625 0.375 25449 4328 1 9 . 1 1 45 45 THR H H 45 7.610 7.610 7.830 -0.220 25449 4329 1 9 . 1 1 46 46 LYS N N 46 115.700 115.700 121.157 -5.457 25449 4330 1 9 . 1 1 46 46 LYS HA H 46 3.720 3.720 3.981 -0.261 25449 4331 1 9 . 1 1 46 46 LYS C C 46 174.600 174.600 173.958 0.642 25449 4332 1 9 . 1 1 46 46 LYS CA C 46 57.600 57.600 57.322 0.278 25449 4333 1 9 . 1 1 46 46 LYS CB C 46 28.900 28.900 30.412 -1.512 25449 4334 1 9 . 1 1 46 46 LYS H H 46 8.460 8.460 7.935 0.525 25449 4335 1 9 . 1 1 47 47 LYS N N 47 117.100 117.100 119.013 -1.913 25449 4336 1 9 . 1 1 47 47 LYS HA H 47 4.680 4.680 4.580 0.100 25449 4337 1 9 . 1 1 47 47 LYS C C 47 176.300 176.300 176.732 -0.432 25449 4338 1 9 . 1 1 47 47 LYS CA C 47 54.000 54.000 54.031 -0.031 25449 4339 1 9 . 1 1 47 47 LYS CB C 47 35.100 35.100 34.534 0.566 25449 4340 1 9 . 1 1 47 47 LYS H H 47 7.610 7.610 7.572 0.038 25449 4341 1 9 . 1 1 48 48 ASN N N 48 117.700 117.700 120.657 -2.957 25449 4342 1 9 . 1 1 48 48 ASN HA H 48 4.700 4.700 4.873 -0.173 25449 4343 1 9 . 1 1 48 48 ASN C C 48 174.000 174.000 175.519 -1.519 25449 4344 1 9 . 1 1 48 48 ASN CA C 48 53.600 53.600 52.639 0.961 25449 4345 1 9 . 1 1 48 48 ASN CB C 48 37.700 37.700 39.218 -1.518 25449 4346 1 9 . 1 1 48 48 ASN H H 48 8.740 8.740 8.745 -0.005 25449 4347 1 9 . 1 1 49 49 ARG N N 49 116.800 116.800 116.687 0.113 25449 4348 1 9 . 1 1 49 49 ARG HA H 49 4.350 4.350 3.989 0.361 25449 4349 1 9 . 1 1 49 49 ARG C C 49 177.500 177.500 176.579 0.921 25449 4350 1 9 . 1 1 49 49 ARG CA C 49 55.600 55.600 56.416 -0.816 25449 4351 1 9 . 1 1 49 49 ARG CB C 49 31.600 31.600 27.120 4.480 25449 4352 1 9 . 1 1 49 49 ARG H H 49 8.530 8.530 8.381 0.149 25449 4353 1 9 . 1 1 50 50 GLY N N 50 108.300 108.300 106.743 1.557 25449 4354 1 9 . 1 1 50 50 GLY C C 50 173.500 173.500 173.396 0.104 25449 4355 1 9 . 1 1 50 50 GLY CA C 50 45.800 45.800 45.375 0.425 25449 4356 1 9 . 1 1 50 50 GLY H H 50 8.900 8.900 8.770 0.130 25449 4357 1 9 . 1 1 51 51 PHE N N 51 113.900 113.900 116.318 -2.418 25449 4358 1 9 . 1 1 51 51 PHE HA H 51 5.470 5.470 4.613 0.857 25449 4359 1 9 . 1 1 51 51 PHE C C 51 172.000 172.000 172.024 -0.024 25449 4360 1 9 . 1 1 51 51 PHE CA C 51 55.000 55.000 55.918 -0.918 25449 4361 1 9 . 1 1 51 51 PHE CB C 51 42.700 42.700 40.314 2.386 25449 4362 1 9 . 1 1 51 51 PHE H H 51 6.910 6.910 7.418 -0.508 25449 4363 1 9 . 1 1 52 52 ALA N N 52 120.500 120.500 125.442 -4.942 25449 4364 1 9 . 1 1 52 52 ALA HA H 52 4.630 4.630 4.597 0.033 25449 4365 1 9 . 1 1 52 52 ALA C C 52 173.900 173.900 174.863 -0.963 25449 4366 1 9 . 1 1 52 52 ALA CA C 52 50.200 50.200 50.746 -0.546 25449 4367 1 9 . 1 1 52 52 ALA CB C 52 25.100 25.100 22.200 2.900 25449 4368 1 9 . 1 1 52 52 ALA H H 52 8.810 8.810 7.514 1.296 25449 4369 1 9 . 1 1 53 53 PHE N N 53 115.000 115.000 118.979 -3.979 25449 4370 1 9 . 1 1 53 53 PHE HA H 53 5.660 5.660 4.766 0.894 25449 4371 1 9 . 1 1 53 53 PHE C C 53 175.600 175.600 174.993 0.607 25449 4372 1 9 . 1 1 53 53 PHE CA C 53 56.200 56.200 57.038 -0.838 25449 4373 1 9 . 1 1 53 53 PHE CB C 53 42.400 42.400 41.785 0.615 25449 4374 1 9 . 1 1 53 53 PHE H H 53 8.730 8.730 8.502 0.228 25449 4375 1 9 . 1 1 54 54 VAL N N 54 122.300 122.300 121.377 0.923 25449 4376 1 9 . 1 1 54 54 VAL HA H 54 4.100 4.100 4.263 -0.163 25449 4377 1 9 . 1 1 54 54 VAL C C 54 173.000 173.000 174.188 -1.188 25449 4378 1 9 . 1 1 54 54 VAL CA C 54 61.700 61.700 61.440 0.260 25449 4379 1 9 . 1 1 54 54 VAL CB C 54 34.400 34.400 34.195 0.205 25449 4380 1 9 . 1 1 54 54 VAL H H 54 9.060 9.060 8.340 0.720 25449 4381 1 9 . 1 1 55 55 GLU N N 55 127.300 127.300 126.527 0.773 25449 4382 1 9 . 1 1 55 55 GLU HA H 55 5.160 5.160 4.702 0.458 25449 4383 1 9 . 1 1 55 55 GLU C C 55 175.900 175.900 175.672 0.228 25449 4384 1 9 . 1 1 55 55 GLU CA C 55 54.000 54.000 55.103 -1.103 25449 4385 1 9 . 1 1 55 55 GLU CB C 55 31.700 31.700 31.625 0.075 25449 4386 1 9 . 1 1 55 55 GLU H H 55 8.860 8.860 8.319 0.541 25449 4387 1 9 . 1 1 56 56 TYR N N 56 127.500 127.500 123.137 4.363 25449 4388 1 9 . 1 1 56 56 TYR HA H 56 4.520 4.520 4.601 -0.081 25449 4389 1 9 . 1 1 56 56 TYR C C 56 175.000 175.000 176.409 -1.409 25449 4390 1 9 . 1 1 56 56 TYR CA C 56 59.700 59.700 58.580 1.120 25449 4391 1 9 . 1 1 56 56 TYR CB C 56 40.200 40.200 41.200 -1.000 25449 4392 1 9 . 1 1 56 56 TYR H H 56 9.470 9.470 8.018 1.452 25449 4393 1 9 . 1 1 57 57 VAL N N 57 119.200 119.200 119.862 -0.662 25449 4394 1 9 . 1 1 57 57 VAL HA H 57 3.570 3.570 4.030 -0.460 25449 4395 1 9 . 1 1 57 57 VAL C C 57 177.000 177.000 175.707 1.293 25449 4396 1 9 . 1 1 57 57 VAL CA C 57 66.300 66.300 64.128 2.172 25449 4397 1 9 . 1 1 57 57 VAL CB C 57 32.000 32.000 32.264 -0.264 25449 4398 1 9 . 1 1 57 57 VAL H H 57 7.800 7.800 8.183 -0.383 25449 4399 1 9 . 1 1 58 58 GLU N N 58 118.500 118.500 119.171 -0.671 25449 4400 1 9 . 1 1 58 58 GLU HA H 58 4.780 4.780 4.573 0.207 25449 4401 1 9 . 1 1 58 58 GLU C C 58 177.500 177.500 176.771 0.729 25449 4402 1 9 . 1 1 58 58 GLU CA C 58 53.800 53.800 55.324 -1.524 25449 4403 1 9 . 1 1 58 58 GLU CB C 58 30.500 30.500 30.261 0.239 25449 4404 1 9 . 1 1 58 58 GLU H H 58 9.530 9.530 8.196 1.334 25449 4405 1 9 . 1 1 59 59 VAL N N 59 125.200 125.200 125.323 -0.123 25449 4406 1 9 . 1 1 59 59 VAL HA H 59 3.530 3.530 3.825 -0.295 25449 4407 1 9 . 1 1 59 59 VAL C C 59 177.600 177.600 177.043 0.557 25449 4408 1 9 . 1 1 59 59 VAL CA C 59 66.100 66.100 65.157 0.942 25449 4409 1 9 . 1 1 59 59 VAL CB C 59 31.700 31.700 32.178 -0.478 25449 4410 1 9 . 1 1 59 59 VAL H H 59 8.650 8.650 8.671 -0.021 25449 4411 1 9 . 1 1 60 60 ASP N N 60 118.500 118.500 119.750 -1.250 25449 4412 1 9 . 1 1 60 60 ASP HA H 60 4.220 4.220 4.486 -0.266 25449 4413 1 9 . 1 1 60 60 ASP C C 60 178.300 178.300 177.961 0.339 25449 4414 1 9 . 1 1 60 60 ASP CA C 60 57.600 57.600 57.364 0.236 25449 4415 1 9 . 1 1 60 60 ASP CB C 60 40.500 40.500 40.242 0.258 25449 4416 1 9 . 1 1 60 60 ASP H H 60 8.970 8.970 8.566 0.404 25449 4417 1 9 . 1 1 61 61 ASP N N 61 119.900 119.900 119.470 0.430 25449 4418 1 9 . 1 1 61 61 ASP HA H 61 4.360 4.360 4.452 -0.092 25449 4419 1 9 . 1 1 61 61 ASP C C 61 176.800 176.800 178.270 -1.470 25449 4420 1 9 . 1 1 61 61 ASP CA C 61 56.900 56.900 57.014 -0.114 25449 4421 1 9 . 1 1 61 61 ASP CB C 61 39.800 39.800 40.595 -0.795 25449 4422 1 9 . 1 1 61 61 ASP H H 61 6.920 6.920 8.547 -1.627 25449 4423 1 9 . 1 1 62 62 ALA N N 62 122.700 122.700 122.432 0.268 25449 4424 1 9 . 1 1 62 62 ALA HA H 62 3.380 3.380 3.319 0.061 25449 4425 1 9 . 1 1 62 62 ALA C C 62 171.600 171.600 179.229 -7.629 25449 4426 1 9 . 1 1 62 62 ALA CA C 62 55.100 55.100 55.297 -0.197 25449 4427 1 9 . 1 1 62 62 ALA CB C 62 18.200 18.200 18.257 -0.057 25449 4428 1 9 . 1 1 62 62 ALA H H 62 6.910 6.910 7.858 -0.948 25449 4429 1 9 . 1 1 63 63 LYS N N 63 116.200 116.200 118.339 -2.139 25449 4430 1 9 . 1 1 63 63 LYS HA H 63 4.190 4.190 3.929 0.261 25449 4431 1 9 . 1 1 63 63 LYS C C 63 179.200 179.200 179.054 0.146 25449 4432 1 9 . 1 1 63 63 LYS CA C 63 59.300 59.300 59.596 -0.296 25449 4433 1 9 . 1 1 63 63 LYS CB C 63 32.600 32.600 31.716 0.884 25449 4434 1 9 . 1 1 63 63 LYS H H 63 8.020 8.020 8.059 -0.039 25449 4435 1 9 . 1 1 64 64 HIS N N 64 117.400 117.400 117.401 -0.001 25449 4436 1 9 . 1 1 64 64 HIS HA H 64 4.310 4.310 4.329 -0.019 25449 4437 1 9 . 1 1 64 64 HIS CA C 64 58.000 58.000 59.269 -1.269 25449 4438 1 9 . 1 1 64 64 HIS CB C 64 29.100 29.100 30.023 -0.923 25449 4439 1 9 . 1 1 64 64 HIS H H 64 7.460 7.460 7.514 -0.054 25449 4440 1 9 . 1 1 65 65 ALA N N 65 123.700 123.700 122.099 1.601 25449 4441 1 9 . 1 1 65 65 ALA HA H 65 2.170 2.170 3.913 -1.743 25449 4442 1 9 . 1 1 65 65 ALA C C 65 178.700 178.700 178.637 0.063 25449 4443 1 9 . 1 1 65 65 ALA CA C 65 54.800 54.800 54.787 0.013 25449 4444 1 9 . 1 1 65 65 ALA CB C 65 19.400 19.400 18.703 0.697 25449 4445 1 9 . 1 1 65 65 ALA H H 65 8.190 8.190 7.499 0.691 25449 4446 1 9 . 1 1 66 66 LEU N N 66 119.800 119.800 118.015 1.785 25449 4447 1 9 . 1 1 66 66 LEU HA H 66 3.430 3.430 4.101 -0.671 25449 4448 1 9 . 1 1 66 66 LEU C C 66 178.700 178.700 178.945 -0.245 25449 4449 1 9 . 1 1 66 66 LEU CA C 66 59.700 59.700 57.585 2.115 25449 4450 1 9 . 1 1 66 66 LEU CB C 66 41.100 41.100 41.833 -0.733 25449 4451 1 9 . 1 1 66 66 LEU H H 66 8.340 8.340 7.429 0.911 25449 4452 1 9 . 1 1 67 67 TYR N N 67 116.200 116.200 119.936 -3.736 25449 4453 1 9 . 1 1 67 67 TYR HA H 67 4.010 4.010 4.110 -0.100 25449 4454 1 9 . 1 1 67 67 TYR C C 67 177.700 177.700 177.654 0.046 25449 4455 1 9 . 1 1 67 67 TYR CA C 67 60.500 60.500 62.175 -1.675 25449 4456 1 9 . 1 1 67 67 TYR CB C 67 38.100 38.100 38.497 -0.397 25449 4457 1 9 . 1 1 67 67 TYR H H 67 7.760 7.760 7.808 -0.048 25449 4458 1 9 . 1 1 68 68 ASN N N 68 113.900 113.900 116.702 -2.802 25449 4459 1 9 . 1 1 68 68 ASN HA H 68 4.430 4.430 4.597 -0.167 25449 4460 1 9 . 1 1 68 68 ASN C C 68 176.400 176.400 176.311 0.089 25449 4461 1 9 . 1 1 68 68 ASN CA C 68 55.600 55.600 55.075 0.525 25449 4462 1 9 . 1 1 68 68 ASN CB C 68 41.400 41.400 38.648 2.752 25449 4463 1 9 . 1 1 68 68 ASN H H 68 7.480 7.480 7.857 -0.377 25449 4464 1 9 . 1 1 69 69 MET N N 69 114.900 114.900 115.074 -0.174 25449 4465 1 9 . 1 1 69 69 MET HA H 69 4.760 4.760 4.622 0.138 25449 4466 1 9 . 1 1 69 69 MET C C 69 177.000 177.000 176.040 0.960 25449 4467 1 9 . 1 1 69 69 MET CA C 69 53.500 53.500 53.685 -0.185 25449 4468 1 9 . 1 1 69 69 MET CB C 69 31.100 31.100 31.987 -0.887 25449 4469 1 9 . 1 1 69 69 MET H H 69 8.310 8.310 7.581 0.729 25449 4470 1 9 . 1 1 70 70 ASN N N 70 117.700 117.700 117.616 0.084 25449 4471 1 9 . 1 1 70 70 ASN HA H 70 4.370 4.370 4.495 -0.125 25449 4472 1 9 . 1 1 70 70 ASN C C 70 176.400 176.400 177.291 -0.891 25449 4473 1 9 . 1 1 70 70 ASN CA C 70 56.100 56.100 55.569 0.531 25449 4474 1 9 . 1 1 70 70 ASN CB C 70 38.700 38.700 38.206 0.494 25449 4475 1 9 . 1 1 70 70 ASN H H 70 7.660 7.660 7.872 -0.212 25449 4476 1 9 . 1 1 71 71 ASN N N 71 121.500 121.500 118.787 2.713 25449 4477 1 9 . 1 1 71 71 ASN HA H 71 4.510 4.510 4.507 0.003 25449 4478 1 9 . 1 1 71 71 ASN C C 71 173.300 173.300 176.033 -2.733 25449 4479 1 9 . 1 1 71 71 ASN CA C 71 55.800 55.800 54.072 1.728 25449 4480 1 9 . 1 1 71 71 ASN CB C 71 38.200 38.200 38.540 -0.340 25449 4481 1 9 . 1 1 71 71 ASN H H 71 8.600 8.600 8.282 0.318 25449 4482 1 9 . 1 1 72 72 PHE N N 72 122.300 122.300 123.974 -1.674 25449 4483 1 9 . 1 1 72 72 PHE HA H 72 4.190 4.190 4.373 -0.183 25449 4484 1 9 . 1 1 72 72 PHE C C 72 174.100 174.100 174.464 -0.364 25449 4485 1 9 . 1 1 72 72 PHE CA C 72 58.700 58.700 58.087 0.613 25449 4486 1 9 . 1 1 72 72 PHE CB C 72 41.300 41.300 39.905 1.395 25449 4487 1 9 . 1 1 72 72 PHE H H 72 7.870 7.870 7.684 0.186 25449 4488 1 9 . 1 1 73 73 GLU N N 73 126.100 126.100 127.334 -1.234 25449 4489 1 9 . 1 1 73 73 GLU HA H 73 4.230 4.230 4.170 0.060 25449 4490 1 9 . 1 1 73 73 GLU C C 73 173.000 173.000 174.201 -1.201 25449 4491 1 9 . 1 1 73 73 GLU CA C 73 55.600 55.600 54.444 1.156 25449 4492 1 9 . 1 1 73 73 GLU CB C 73 30.300 30.300 30.936 -0.636 25449 4493 1 9 . 1 1 73 73 GLU H H 73 7.690 7.690 7.972 -0.282 25449 4494 1 9 . 1 1 74 74 LEU N N 74 128.900 128.900 123.366 5.534 25449 4495 1 9 . 1 1 74 74 LEU HA H 74 4.520 4.520 4.339 0.181 25449 4496 1 9 . 1 1 74 74 LEU C C 74 175.500 175.500 175.563 -0.063 25449 4497 1 9 . 1 1 74 74 LEU CA C 74 53.300 53.300 55.186 -1.886 25449 4498 1 9 . 1 1 74 74 LEU CB C 74 44.600 44.600 43.938 0.662 25449 4499 1 9 . 1 1 74 74 LEU H H 74 8.620 8.620 8.407 0.213 25449 4500 1 9 . 1 1 75 75 ASN N N 75 126.800 126.800 122.907 3.893 25449 4501 1 9 . 1 1 75 75 ASN HA H 75 4.210 4.210 4.435 -0.225 25449 4502 1 9 . 1 1 75 75 ASN C C 75 175.600 175.600 175.526 0.074 25449 4503 1 9 . 1 1 75 75 ASN CA C 75 53.900 53.900 53.595 0.305 25449 4504 1 9 . 1 1 75 75 ASN CB C 75 36.900 36.900 37.605 -0.705 25449 4505 1 9 . 1 1 75 75 ASN H H 75 9.520 9.520 8.875 0.645 25449 4506 1 9 . 1 1 76 76 GLY N N 76 102.300 102.300 100.823 1.477 25449 4507 1 9 . 1 1 76 76 GLY C C 76 173.600 173.600 173.382 0.218 25449 4508 1 9 . 1 1 76 76 GLY CA C 76 45.300 45.300 45.188 0.112 25449 4509 1 9 . 1 1 76 76 GLY H H 76 8.500 8.500 8.430 0.070 25449 4510 1 9 . 1 1 77 77 LYS N N 77 120.800 120.800 118.602 2.198 25449 4511 1 9 . 1 1 77 77 LYS HA H 77 4.570 4.570 4.525 0.045 25449 4512 1 9 . 1 1 77 77 LYS C C 77 175.100 175.100 174.153 0.947 25449 4513 1 9 . 1 1 77 77 LYS CA C 77 54.200 54.200 54.539 -0.340 25449 4514 1 9 . 1 1 77 77 LYS CB C 77 34.500 34.500 35.145 -0.645 25449 4515 1 9 . 1 1 77 77 LYS H H 77 7.580 7.580 7.489 0.091 25449 4516 1 9 . 1 1 78 78 ARG N N 78 123.300 123.300 122.240 1.060 25449 4517 1 9 . 1 1 78 78 ARG HA H 78 4.480 4.480 4.472 0.008 25449 4518 1 9 . 1 1 78 78 ARG C C 78 176.600 176.600 175.846 0.754 25449 4519 1 9 . 1 1 78 78 ARG CA C 78 55.300 55.300 55.461 -0.161 25449 4520 1 9 . 1 1 78 78 ARG CB C 78 30.300 30.300 31.190 -0.890 25449 4521 1 9 . 1 1 78 78 ARG H H 78 8.580 8.580 8.420 0.160 25449 4522 1 9 . 1 1 79 79 ILE N N 79 120.100 120.100 121.202 -1.102 25449 4523 1 9 . 1 1 79 79 ILE HA H 79 4.700 4.700 4.314 0.386 25449 4524 1 9 . 1 1 79 79 ILE C C 79 175.200 175.200 175.375 -0.175 25449 4525 1 9 . 1 1 79 79 ILE CA C 79 60.000 60.000 60.265 -0.265 25449 4526 1 9 . 1 1 79 79 ILE CB C 79 39.400 39.400 38.966 0.434 25449 4527 1 9 . 1 1 79 79 ILE H H 79 8.450 8.450 8.509 -0.059 25449 4528 1 9 . 1 1 80 80 HIS N N 80 119.900 119.900 124.384 -4.484 25449 4529 1 9 . 1 1 80 80 HIS HA H 80 5.190 5.190 4.709 0.481 25449 4530 1 9 . 1 1 80 80 HIS C C 80 173.600 173.600 174.363 -0.763 25449 4531 1 9 . 1 1 80 80 HIS CA C 80 53.800 53.800 55.319 -1.518 25449 4532 1 9 . 1 1 80 80 HIS CB C 80 31.300 31.300 30.570 0.730 25449 4533 1 9 . 1 1 80 80 HIS H H 80 8.580 8.580 8.323 0.257 25449 4534 1 9 . 1 1 81 81 VAL N N 81 123.800 123.800 125.852 -2.052 25449 4535 1 9 . 1 1 81 81 VAL HA H 81 5.280 5.280 4.705 0.575 25449 4536 1 9 . 1 1 81 81 VAL C C 81 173.600 173.600 174.655 -1.055 25449 4537 1 9 . 1 1 81 81 VAL CA C 81 60.200 60.200 61.119 -0.919 25449 4538 1 9 . 1 1 81 81 VAL CB C 81 35.000 35.000 33.116 1.884 25449 4539 1 9 . 1 1 81 81 VAL H H 81 8.650 8.650 8.496 0.154 25449 4540 1 9 . 1 1 82 82 ASN N N 82 121.100 121.100 123.441 -2.341 25449 4541 1 9 . 1 1 82 82 ASN HA H 82 4.750 4.750 5.095 -0.345 25449 4542 1 9 . 1 1 82 82 ASN C C 82 174.000 174.000 173.230 0.770 25449 4543 1 9 . 1 1 82 82 ASN CA C 82 51.900 51.900 51.951 -0.051 25449 4544 1 9 . 1 1 82 82 ASN CB C 82 42.900 42.900 40.602 2.298 25449 4545 1 9 . 1 1 82 82 ASN H H 82 8.890 8.890 8.015 0.875 25449 4546 1 9 . 1 1 83 83 TYR N N 83 120.400 120.400 119.540 0.860 25449 4547 1 9 . 1 1 83 83 TYR HA H 83 4.800 4.800 4.785 0.015 25449 4548 1 9 . 1 1 83 83 TYR C C 83 177.100 177.100 175.025 2.075 25449 4549 1 9 . 1 1 83 83 TYR CA C 83 59.400 59.400 58.599 0.801 25449 4550 1 9 . 1 1 83 83 TYR CB C 83 38.700 38.700 39.883 -1.183 25449 4551 1 9 . 1 1 83 83 TYR H H 83 8.480 8.480 8.603 -0.123 25449 4552 1 9 . 1 1 84 84 SER N N 84 118.000 118.000 116.101 1.899 25449 4553 1 9 . 1 1 84 84 SER HA H 84 4.520 4.520 4.262 0.258 25449 4554 1 9 . 1 1 84 84 SER C C 84 174.100 174.100 172.983 1.117 25449 4555 1 9 . 1 1 84 84 SER CA C 84 57.700 57.700 56.632 1.068 25449 4556 1 9 . 1 1 84 84 SER CB C 84 64.300 64.300 64.770 -0.470 25449 4557 1 9 . 1 1 84 84 SER H H 84 9.040 9.040 7.514 1.526 25449 4558 1 9 . 1 1 85 85 LYS N N 85 125.300 125.300 121.847 3.453 25449 4559 1 9 . 1 1 85 85 LYS HA H 85 4.440 4.440 4.449 -0.009 25449 4560 1 9 . 1 1 85 85 LYS C C 85 175.600 175.600 175.343 0.257 25449 4561 1 9 . 1 1 85 85 LYS CA C 85 56.300 56.300 55.337 0.963 25449 4562 1 9 . 1 1 85 85 LYS CB C 85 33.700 33.700 32.910 0.790 25449 4563 1 9 . 1 1 85 85 LYS H H 85 8.410 8.410 8.241 0.169 25449 4564 1 10 . 1 1 -1 -1 SER N N -1 115.600 115.600 117.123 -1.523 25449 4565 1 10 . 1 1 -1 -1 SER HA H -1 4.410 4.410 4.590 -0.180 25449 4566 1 10 . 1 1 -1 -1 SER C C -1 172.000 172.000 173.707 -1.707 25449 4567 1 10 . 1 1 -1 -1 SER CA C -1 58.200 58.200 58.112 0.088 25449 4568 1 10 . 1 1 -1 -1 SER CB C -1 63.900 63.900 63.847 0.053 25449 4569 1 10 . 1 1 -1 -1 SER H H -1 8.670 8.670 8.378 0.292 25449 4570 1 10 . 1 1 0 0 HIS N N 0 121.200 121.200 119.384 1.816 25449 4571 1 10 . 1 1 0 0 HIS HA H 0 4.590 4.590 4.300 0.290 25449 4572 1 10 . 1 1 0 0 HIS C C 0 174.800 174.800 173.309 1.491 25449 4573 1 10 . 1 1 0 0 HIS CA C 0 56.100 56.100 56.187 -0.087 25449 4574 1 10 . 1 1 0 0 HIS CB C 0 29.900 29.900 29.659 0.241 25449 4575 1 10 . 1 1 0 0 HIS H H 0 8.730 8.730 8.534 0.196 25449 4576 1 10 . 1 1 1 1 MET N N 1 121.800 121.800 123.728 -1.928 25449 4577 1 10 . 1 1 1 1 MET HA H 1 4.370 4.370 4.348 0.022 25449 4578 1 10 . 1 1 1 1 MET C C 1 176.300 176.300 174.203 2.097 25449 4579 1 10 . 1 1 1 1 MET CA C 1 55.700 55.700 54.770 0.930 25449 4580 1 10 . 1 1 1 1 MET CB C 1 32.800 32.800 35.957 -3.157 25449 4581 1 10 . 1 1 1 1 MET H H 1 8.450 8.450 8.147 0.303 25449 4582 1 10 . 1 1 2 2 SER N N 2 116.700 116.700 116.104 0.596 25449 4583 1 10 . 1 1 2 2 SER HA H 2 4.370 4.370 4.456 -0.086 25449 4584 1 10 . 1 1 2 2 SER C C 2 174.200 174.200 173.858 0.342 25449 4585 1 10 . 1 1 2 2 SER CA C 2 58.400 58.400 58.320 0.080 25449 4586 1 10 . 1 1 2 2 SER CB C 2 63.800 63.800 63.605 0.195 25449 4587 1 10 . 1 1 2 2 SER H H 2 8.410 8.410 8.342 0.068 25449 4588 1 10 . 1 1 3 3 ASP N N 3 122.100 122.100 125.175 -3.075 25449 4589 1 10 . 1 1 3 3 ASP HA H 3 4.550 4.550 4.440 0.110 25449 4590 1 10 . 1 1 3 3 ASP C C 3 176.100 176.100 177.091 -0.991 25449 4591 1 10 . 1 1 3 3 ASP CA C 3 54.500 54.500 56.129 -1.629 25449 4592 1 10 . 1 1 3 3 ASP CB C 3 41.200 41.200 41.490 -0.290 25449 4593 1 10 . 1 1 3 3 ASP H H 3 8.340 8.340 8.848 -0.508 25449 4594 1 10 . 1 1 4 4 ASN N N 4 119.100 119.100 115.065 4.035 25449 4595 1 10 . 1 1 4 4 ASN HA H 4 4.580 4.580 4.280 0.300 25449 4596 1 10 . 1 1 4 4 ASN C C 4 174.900 174.900 174.644 0.256 25449 4597 1 10 . 1 1 4 4 ASN CA C 4 53.700 53.700 54.366 -0.666 25449 4598 1 10 . 1 1 4 4 ASN CB C 4 38.900 38.900 36.857 2.043 25449 4599 1 10 . 1 1 4 4 ASN H H 4 8.420 8.420 7.933 0.487 25449 4600 1 10 . 1 1 5 5 ASN N N 5 118.400 118.400 119.281 -0.881 25449 4601 1 10 . 1 1 5 5 ASN HA H 5 4.540 4.540 4.525 0.015 25449 4602 1 10 . 1 1 5 5 ASN C C 5 173.900 173.900 173.819 0.081 25449 4603 1 10 . 1 1 5 5 ASN CA C 5 53.200 53.200 53.110 0.090 25449 4604 1 10 . 1 1 5 5 ASN CB C 5 38.700 38.700 37.955 0.745 25449 4605 1 10 . 1 1 5 5 ASN H H 5 8.340 8.340 8.372 -0.032 25449 4606 1 10 . 1 1 6 6 ALA N N 6 122.100 122.100 123.261 -1.161 25449 4607 1 10 . 1 1 6 6 ALA HA H 6 2.740 2.740 4.134 -1.394 25449 4608 1 10 . 1 1 6 6 ALA C C 6 177.000 177.000 176.517 0.483 25449 4609 1 10 . 1 1 6 6 ALA CA C 6 52.300 52.300 52.137 0.163 25449 4610 1 10 . 1 1 6 6 ALA CB C 6 20.000 20.000 18.105 1.895 25449 4611 1 10 . 1 1 6 6 ALA H H 6 7.590 7.590 7.239 0.351 25449 4612 1 10 . 1 1 7 7 THR N N 7 112.700 112.700 118.660 -5.960 25449 4613 1 10 . 1 1 7 7 THR HA H 7 4.390 4.390 4.328 0.062 25449 4614 1 10 . 1 1 7 7 THR C C 7 171.700 171.700 175.157 -3.457 25449 4615 1 10 . 1 1 7 7 THR CA C 7 59.800 59.800 61.642 -1.842 25449 4616 1 10 . 1 1 7 7 THR CB C 7 70.600 70.600 70.455 0.145 25449 4617 1 10 . 1 1 7 7 THR H H 7 6.840 6.840 7.780 -0.940 25449 4618 1 10 . 1 1 8 8 ASP N N 8 114.600 114.600 123.337 -8.737 25449 4619 1 10 . 1 1 8 8 ASP HA H 8 4.490 4.490 4.309 0.181 25449 4620 1 10 . 1 1 8 8 ASP C C 8 174.300 174.300 173.955 0.345 25449 4621 1 10 . 1 1 8 8 ASP CA C 8 53.500 53.500 56.051 -2.551 25449 4622 1 10 . 1 1 8 8 ASP CB C 8 39.800 39.800 40.410 -0.610 25449 4623 1 10 . 1 1 8 8 ASP H H 8 8.170 8.170 8.854 -0.683 25449 4624 1 10 . 1 1 9 9 ILE N N 9 117.800 117.800 118.928 -1.128 25449 4625 1 10 . 1 1 9 9 ILE HA H 9 4.810 4.810 5.290 -0.480 25449 4626 1 10 . 1 1 9 9 ILE C C 9 174.700 174.700 174.135 0.565 25449 4627 1 10 . 1 1 9 9 ILE CA C 9 60.600 60.600 60.035 0.565 25449 4628 1 10 . 1 1 9 9 ILE CB C 9 40.300 40.300 41.536 -1.236 25449 4629 1 10 . 1 1 9 9 ILE H H 9 7.890 7.890 7.563 0.327 25449 4630 1 10 . 1 1 10 10 LEU N N 10 125.300 125.300 127.072 -1.772 25449 4631 1 10 . 1 1 10 10 LEU HA H 10 4.960 4.960 4.906 0.054 25449 4632 1 10 . 1 1 10 10 LEU C C 10 176.100 176.100 175.298 0.802 25449 4633 1 10 . 1 1 10 10 LEU CA C 10 52.900 52.900 54.221 -1.321 25449 4634 1 10 . 1 1 10 10 LEU CB C 10 43.100 43.100 44.631 -1.531 25449 4635 1 10 . 1 1 10 10 LEU H H 10 9.370 9.370 8.329 1.041 25449 4636 1 10 . 1 1 11 11 PHE N N 11 124.300 124.300 127.112 -2.812 25449 4637 1 10 . 1 1 11 11 PHE HA H 11 4.670 4.670 4.815 -0.145 25449 4638 1 10 . 1 1 11 11 PHE C C 11 173.400 173.400 174.039 -0.639 25449 4639 1 10 . 1 1 11 11 PHE CA C 11 57.000 57.000 58.040 -1.040 25449 4640 1 10 . 1 1 11 11 PHE CB C 11 40.700 40.700 40.897 -0.197 25449 4641 1 10 . 1 1 11 11 PHE H H 11 9.310 9.310 8.649 0.661 25449 4642 1 10 . 1 1 12 12 VAL N N 12 128.300 128.300 125.374 2.926 25449 4643 1 10 . 1 1 12 12 VAL HA H 12 4.420 4.420 4.234 0.186 25449 4644 1 10 . 1 1 12 12 VAL C C 12 173.900 173.900 174.552 -0.652 25449 4645 1 10 . 1 1 12 12 VAL CA C 12 60.200 60.200 60.422 -0.222 25449 4646 1 10 . 1 1 12 12 VAL CB C 12 33.100 33.100 35.291 -2.191 25449 4647 1 10 . 1 1 12 12 VAL H H 12 8.380 8.380 7.750 0.630 25449 4648 1 10 . 1 1 13 13 GLY N N 13 111.800 111.800 110.540 1.260 25449 4649 1 10 . 1 1 13 13 GLY C C 13 173.800 173.800 173.841 -0.041 25449 4650 1 10 . 1 1 13 13 GLY CA C 13 43.400 43.400 43.631 -0.231 25449 4651 1 10 . 1 1 13 13 GLY H H 13 9.150 9.150 8.386 0.764 25449 4652 1 10 . 1 1 14 14 GLY N N 14 107.600 107.600 107.250 0.350 25449 4653 1 10 . 1 1 14 14 GLY C C 14 175.400 175.400 173.738 1.662 25449 4654 1 10 . 1 1 14 14 GLY CA C 14 45.800 45.800 44.916 0.884 25449 4655 1 10 . 1 1 14 14 GLY H H 14 8.260 8.260 8.279 -0.019 25449 4656 1 10 . 1 1 15 15 ILE N N 15 111.100 111.100 122.768 -11.668 25449 4657 1 10 . 1 1 15 15 ILE HA H 15 4.040 4.040 4.190 -0.150 25449 4658 1 10 . 1 1 15 15 ILE C C 15 175.500 175.500 175.286 0.214 25449 4659 1 10 . 1 1 15 15 ILE CA C 15 60.500 60.500 59.129 1.371 25449 4660 1 10 . 1 1 15 15 ILE CB C 15 38.500 38.500 40.095 -1.595 25449 4661 1 10 . 1 1 15 15 ILE H H 15 6.930 6.930 8.091 -1.161 25449 4662 1 10 . 1 1 16 16 ASP N N 16 122.800 122.800 122.478 0.322 25449 4663 1 10 . 1 1 16 16 ASP HA H 16 4.580 4.580 4.468 0.112 25449 4664 1 10 . 1 1 16 16 ASP C C 16 177.200 177.200 176.899 0.301 25449 4665 1 10 . 1 1 16 16 ASP CA C 16 53.700 53.700 54.387 -0.687 25449 4666 1 10 . 1 1 16 16 ASP CB C 16 42.500 42.500 42.586 -0.086 25449 4667 1 10 . 1 1 16 16 ASP H H 16 8.320 8.320 8.712 -0.392 25449 4668 1 10 . 1 1 17 17 GLU N N 17 119.600 119.600 119.752 -0.152 25449 4669 1 10 . 1 1 17 17 GLU HA H 17 4.140 4.140 4.271 -0.131 25449 4670 1 10 . 1 1 17 17 GLU C C 17 176.800 176.800 176.508 0.292 25449 4671 1 10 . 1 1 17 17 GLU CA C 17 58.600 58.600 57.290 1.310 25449 4672 1 10 . 1 1 17 17 GLU CB C 17 29.800 29.800 29.004 0.796 25449 4673 1 10 . 1 1 17 17 GLU H H 17 8.830 8.830 8.698 0.132 25449 4674 1 10 . 1 1 18 18 THR N N 18 111.300 111.300 115.652 -4.352 25449 4675 1 10 . 1 1 18 18 THR HA H 18 4.250 4.250 4.518 -0.268 25449 4676 1 10 . 1 1 18 18 THR C C 18 175.200 175.200 173.860 1.340 25449 4677 1 10 . 1 1 18 18 THR CA C 18 62.600 62.600 61.421 1.179 25449 4678 1 10 . 1 1 18 18 THR CB C 18 69.600 69.600 68.996 0.604 25449 4679 1 10 . 1 1 18 18 THR H H 18 8.740 8.740 7.853 0.887 25449 4680 1 10 . 1 1 19 19 ILE N N 19 123.300 123.300 117.448 5.852 25449 4681 1 10 . 1 1 19 19 ILE HA H 19 3.880 3.880 4.358 -0.478 25449 4682 1 10 . 1 1 19 19 ILE C C 19 174.300 174.300 174.609 -0.309 25449 4683 1 10 . 1 1 19 19 ILE CA C 19 59.900 59.900 59.350 0.550 25449 4684 1 10 . 1 1 19 19 ILE CB C 19 35.600 35.600 38.657 -3.057 25449 4685 1 10 . 1 1 19 19 ILE H H 19 7.220 7.220 7.344 -0.124 25449 4686 1 10 . 1 1 20 20 ASP N N 20 125.600 125.600 122.030 3.570 25449 4687 1 10 . 1 1 20 20 ASP HA H 20 4.640 4.640 4.759 -0.119 25449 4688 1 10 . 1 1 20 20 ASP C C 20 175.300 175.300 176.426 -1.126 25449 4689 1 10 . 1 1 20 20 ASP CA C 20 51.500 51.500 53.181 -1.681 25449 4690 1 10 . 1 1 20 20 ASP CB C 20 43.000 43.000 42.784 0.216 25449 4691 1 10 . 1 1 20 20 ASP H H 20 7.790 7.790 8.052 -0.262 25449 4692 1 10 . 1 1 21 21 GLU N N 21 118.400 118.400 121.883 -3.483 25449 4693 1 10 . 1 1 21 21 GLU HA H 21 3.630 3.630 3.979 -0.349 25449 4694 1 10 . 1 1 21 21 GLU C C 21 177.900 177.900 178.325 -0.425 25449 4695 1 10 . 1 1 21 21 GLU CA C 21 60.900 60.900 60.073 0.827 25449 4696 1 10 . 1 1 21 21 GLU CB C 21 29.200 29.200 29.789 -0.589 25449 4697 1 10 . 1 1 21 21 GLU H H 21 9.220 9.220 8.920 0.300 25449 4698 1 10 . 1 1 22 22 LYS N N 22 119.700 119.700 117.694 2.006 25449 4699 1 10 . 1 1 22 22 LYS HA H 22 4.060 4.060 4.232 -0.172 25449 4700 1 10 . 1 1 22 22 LYS C C 22 178.500 178.500 179.044 -0.544 25449 4701 1 10 . 1 1 22 22 LYS CA C 22 59.300 59.300 58.780 0.520 25449 4702 1 10 . 1 1 22 22 LYS CB C 22 31.800 31.800 31.762 0.038 25449 4703 1 10 . 1 1 22 22 LYS H H 22 8.040 8.040 8.339 -0.299 25449 4704 1 10 . 1 1 23 23 SER N N 23 114.900 114.900 116.376 -1.476 25449 4705 1 10 . 1 1 23 23 SER HA H 23 4.300 4.300 4.273 0.027 25449 4706 1 10 . 1 1 23 23 SER C C 23 177.600 177.600 176.314 1.286 25449 4707 1 10 . 1 1 23 23 SER CA C 23 61.800 61.800 61.104 0.696 25449 4708 1 10 . 1 1 23 23 SER CB C 23 62.900 62.900 62.835 0.065 25449 4709 1 10 . 1 1 23 23 SER H H 23 8.240 8.240 8.091 0.149 25449 4710 1 10 . 1 1 24 24 LEU N N 24 118.800 118.800 121.464 -2.664 25449 4711 1 10 . 1 1 24 24 LEU HA H 24 4.180 4.180 4.173 0.007 25449 4712 1 10 . 1 1 24 24 LEU C C 24 178.700 178.700 179.022 -0.322 25449 4713 1 10 . 1 1 24 24 LEU CA C 24 57.300 57.300 56.944 0.355 25449 4714 1 10 . 1 1 24 24 LEU CB C 24 42.100 42.100 41.432 0.668 25449 4715 1 10 . 1 1 24 24 LEU H H 24 7.750 7.750 7.575 0.175 25449 4716 1 10 . 1 1 25 25 TYR N N 25 123.200 123.200 121.161 2.039 25449 4717 1 10 . 1 1 25 25 TYR HA H 25 3.630 3.630 4.110 -0.480 25449 4718 1 10 . 1 1 25 25 TYR C C 25 178.600 178.600 177.401 1.199 25449 4719 1 10 . 1 1 25 25 TYR CA C 25 63.200 63.200 61.583 1.617 25449 4720 1 10 . 1 1 25 25 TYR CB C 25 38.200 38.200 38.606 -0.406 25449 4721 1 10 . 1 1 25 25 TYR H H 25 8.970 8.970 7.593 1.377 25449 4722 1 10 . 1 1 26 26 ASP N N 26 119.800 119.800 118.778 1.022 25449 4723 1 10 . 1 1 26 26 ASP HA H 26 4.270 4.270 4.514 -0.244 25449 4724 1 10 . 1 1 26 26 ASP C C 26 177.900 177.900 178.393 -0.493 25449 4725 1 10 . 1 1 26 26 ASP CA C 26 57.700 57.700 57.873 -0.173 25449 4726 1 10 . 1 1 26 26 ASP CB C 26 40.000 40.000 41.018 -1.018 25449 4727 1 10 . 1 1 26 26 ASP H H 26 8.510 8.510 7.798 0.712 25449 4728 1 10 . 1 1 27 27 ILE N N 27 114.700 114.700 119.260 -4.560 25449 4729 1 10 . 1 1 27 27 ILE HA H 27 3.960 3.960 3.866 0.094 25449 4730 1 10 . 1 1 27 27 ILE C C 27 177.700 177.700 177.812 -0.112 25449 4731 1 10 . 1 1 27 27 ILE CA C 27 63.300 63.300 64.983 -1.683 25449 4732 1 10 . 1 1 27 27 ILE CB C 27 39.000 39.000 38.416 0.584 25449 4733 1 10 . 1 1 27 27 ILE H H 27 7.320 7.320 7.578 -0.258 25449 4734 1 10 . 1 1 28 28 PHE N N 28 116.900 116.900 116.910 -0.010 25449 4735 1 10 . 1 1 28 28 PHE HA H 28 4.370 4.370 4.603 -0.233 25449 4736 1 10 . 1 1 28 28 PHE C C 28 179.900 179.900 177.007 2.893 25449 4737 1 10 . 1 1 28 28 PHE CA C 28 62.300 62.300 58.921 3.379 25449 4738 1 10 . 1 1 28 28 PHE CB C 28 37.300 37.300 38.564 -1.264 25449 4739 1 10 . 1 1 28 28 PHE H H 28 8.650 8.650 8.164 0.486 25449 4740 1 10 . 1 1 29 29 SER N N 29 120.100 120.100 113.255 6.845 25449 4741 1 10 . 1 1 29 29 SER HA H 29 4.410 4.410 4.653 -0.243 25449 4742 1 10 . 1 1 29 29 SER C C 29 175.600 175.600 175.360 0.240 25449 4743 1 10 . 1 1 29 29 SER CA C 29 61.300 61.300 59.741 1.559 25449 4744 1 10 . 1 1 29 29 SER CB C 29 62.200 62.200 63.214 -1.014 25449 4745 1 10 . 1 1 29 29 SER H H 29 8.880 8.880 7.853 1.027 25449 4746 1 10 . 1 1 30 30 SER N N 30 116.200 116.200 116.955 -0.755 25449 4747 1 10 . 1 1 30 30 SER HA H 30 3.940 3.940 4.299 -0.359 25449 4748 1 10 . 1 1 30 30 SER C C 30 174.900 174.900 175.656 -0.756 25449 4749 1 10 . 1 1 30 30 SER CA C 30 60.400 60.400 60.647 -0.247 25449 4750 1 10 . 1 1 30 30 SER CB C 30 62.400 62.400 63.181 -0.781 25449 4751 1 10 . 1 1 30 30 SER H H 30 7.270 7.270 8.086 -0.816 25449 4752 1 10 . 1 1 31 31 PHE N N 31 115.600 115.600 121.564 -5.964 25449 4753 1 10 . 1 1 31 31 PHE HA H 31 4.280 4.280 4.572 -0.292 25449 4754 1 10 . 1 1 31 31 PHE C C 31 174.100 174.100 176.092 -1.992 25449 4755 1 10 . 1 1 31 31 PHE CA C 31 58.900 58.900 59.200 -0.300 25449 4756 1 10 . 1 1 31 31 PHE CB C 31 39.300 39.300 39.998 -0.698 25449 4757 1 10 . 1 1 31 31 PHE H H 31 6.980 6.980 8.077 -1.097 25449 4758 1 10 . 1 1 32 32 GLY N N 32 104.900 104.900 107.268 -2.368 25449 4759 1 10 . 1 1 32 32 GLY C C 32 171.600 171.600 172.736 -1.136 25449 4760 1 10 . 1 1 32 32 GLY CA C 32 44.300 44.300 44.594 -0.294 25449 4761 1 10 . 1 1 32 32 GLY H H 32 7.300 7.300 7.604 -0.304 25449 4762 1 10 . 1 1 33 33 ASP N N 33 116.100 116.100 126.415 -10.315 25449 4763 1 10 . 1 1 33 33 ASP HA H 33 4.510 4.510 4.619 -0.109 25449 4764 1 10 . 1 1 33 33 ASP C C 33 176.800 176.800 174.753 2.047 25449 4765 1 10 . 1 1 33 33 ASP CA C 33 55.400 55.400 55.253 0.147 25449 4766 1 10 . 1 1 33 33 ASP CB C 33 40.600 40.600 42.170 -1.570 25449 4767 1 10 . 1 1 33 33 ASP H H 33 8.120 8.120 8.470 -0.350 25449 4768 1 10 . 1 1 34 34 ILE N N 34 126.400 126.400 119.533 6.867 25449 4769 1 10 . 1 1 34 34 ILE HA H 34 3.850 3.850 4.070 -0.220 25449 4770 1 10 . 1 1 34 34 ILE C C 34 176.200 176.200 176.206 -0.006 25449 4771 1 10 . 1 1 34 34 ILE CA C 34 60.200 60.200 58.430 1.770 25449 4772 1 10 . 1 1 34 34 ILE CB C 34 39.900 39.900 39.473 0.427 25449 4773 1 10 . 1 1 34 34 ILE H H 34 8.670 8.670 8.373 0.297 25449 4774 1 10 . 1 1 35 35 ARG N N 35 128.900 128.900 125.007 3.893 25449 4775 1 10 . 1 1 35 35 ARG HA H 35 4.160 4.160 4.305 -0.145 25449 4776 1 10 . 1 1 35 35 ARG C C 35 175.600 175.600 176.174 -0.574 25449 4777 1 10 . 1 1 35 35 ARG CA C 35 57.500 57.500 55.719 1.781 25449 4778 1 10 . 1 1 35 35 ARG CB C 35 31.700 31.700 31.065 0.635 25449 4779 1 10 . 1 1 35 35 ARG H H 35 9.320 9.320 8.523 0.797 25449 4780 1 10 . 1 1 36 36 ASN N N 36 114.300 114.300 115.070 -0.770 25449 4781 1 10 . 1 1 36 36 ASN HA H 36 4.710 4.710 4.785 -0.075 25449 4782 1 10 . 1 1 36 36 ASN C C 36 172.000 172.000 172.787 -0.787 25449 4783 1 10 . 1 1 36 36 ASN CA C 36 53.500 53.500 53.219 0.281 25449 4784 1 10 . 1 1 36 36 ASN CB C 36 42.600 42.600 40.721 1.879 25449 4785 1 10 . 1 1 36 36 ASN H H 36 7.620 7.620 8.009 -0.389 25449 4786 1 10 . 1 1 37 37 ILE N N 37 122.700 122.700 121.124 1.576 25449 4787 1 10 . 1 1 37 37 ILE HA H 37 4.770 4.770 4.372 0.398 25449 4788 1 10 . 1 1 37 37 ILE C C 37 173.300 173.300 174.337 -1.037 25449 4789 1 10 . 1 1 37 37 ILE CA C 37 60.600 60.600 61.525 -0.925 25449 4790 1 10 . 1 1 37 37 ILE CB C 37 41.200 41.200 41.388 -0.188 25449 4791 1 10 . 1 1 37 37 ILE H H 37 8.030 8.030 8.473 -0.443 25449 4792 1 10 . 1 1 38 38 GLU N N 38 126.700 126.700 129.177 -2.477 25449 4793 1 10 . 1 1 38 38 GLU HA H 38 4.660 4.660 4.716 -0.056 25449 4794 1 10 . 1 1 38 38 GLU C C 38 174.800 174.800 173.881 0.919 25449 4795 1 10 . 1 1 38 38 GLU CA C 38 54.400 54.400 55.690 -1.290 25449 4796 1 10 . 1 1 38 38 GLU CB C 38 33.400 33.400 32.498 0.902 25449 4797 1 10 . 1 1 38 38 GLU H H 38 8.870 8.870 8.574 0.296 25449 4798 1 10 . 1 1 39 39 VAL N N 39 126.400 126.400 126.999 -0.599 25449 4799 1 10 . 1 1 39 39 VAL CA C 39 58.700 58.700 57.812 0.888 25449 4800 1 10 . 1 1 39 39 VAL CB C 39 32.600 32.600 33.372 -0.772 25449 4801 1 10 . 1 1 39 39 VAL H H 39 8.970 8.970 8.309 0.661 25449 4802 1 10 . 1 1 40 40 PRO HA H 40 4.230 4.230 4.418 -0.188 25449 4803 1 10 . 1 1 40 40 PRO C C 40 176.300 176.300 175.266 1.034 25449 4804 1 10 . 1 1 40 40 PRO CA C 40 63.300 63.300 62.717 0.583 25449 4805 1 10 . 1 1 40 40 PRO CB C 40 32.500 32.500 32.212 0.288 25449 4806 1 10 . 1 1 41 41 LEU N N 41 120.700 120.700 122.201 -1.501 25449 4807 1 10 . 1 1 41 41 LEU HA H 41 4.520 4.520 4.419 0.101 25449 4808 1 10 . 1 1 41 41 LEU C C 41 177.900 177.900 175.389 2.511 25449 4809 1 10 . 1 1 41 41 LEU CA C 41 53.100 53.100 53.164 -0.064 25449 4810 1 10 . 1 1 41 41 LEU CB C 41 44.300 44.300 45.990 -1.690 25449 4811 1 10 . 1 1 41 41 LEU H H 41 8.520 8.520 8.133 0.387 25449 4812 1 10 . 1 1 42 42 ASN N N 42 121.400 121.400 122.238 -0.838 25449 4813 1 10 . 1 1 42 42 ASN HA H 42 4.560 4.560 4.881 -0.321 25449 4814 1 10 . 1 1 42 42 ASN C C 42 176.700 176.700 176.030 0.670 25449 4815 1 10 . 1 1 42 42 ASN CA C 42 52.900 52.900 52.468 0.432 25449 4816 1 10 . 1 1 42 42 ASN CB C 42 39.000 39.000 39.728 -0.728 25449 4817 1 10 . 1 1 42 42 ASN H H 42 8.740 8.740 8.639 0.101 25449 4818 1 10 . 1 1 43 43 MET N N 43 125.500 125.500 125.063 0.437 25449 4819 1 10 . 1 1 43 43 MET HA H 43 4.210 4.210 4.424 -0.214 25449 4820 1 10 . 1 1 43 43 MET C C 43 177.200 177.200 176.898 0.302 25449 4821 1 10 . 1 1 43 43 MET CA C 43 57.100 57.100 57.079 0.021 25449 4822 1 10 . 1 1 43 43 MET CB C 43 31.600 31.600 32.066 -0.466 25449 4823 1 10 . 1 1 43 43 MET H H 43 9.080 9.080 9.091 -0.011 25449 4824 1 10 . 1 1 44 44 THR N N 44 114.400 114.400 114.252 0.148 25449 4825 1 10 . 1 1 44 44 THR HA H 44 4.160 4.160 4.342 -0.182 25449 4826 1 10 . 1 1 44 44 THR C C 44 175.900 175.900 176.008 -0.108 25449 4827 1 10 . 1 1 44 44 THR CA C 44 65.200 65.200 64.913 0.287 25449 4828 1 10 . 1 1 44 44 THR CB C 44 68.700 68.700 69.245 -0.545 25449 4829 1 10 . 1 1 44 44 THR H H 44 8.590 8.590 8.010 0.580 25449 4830 1 10 . 1 1 45 45 THR N N 45 110.300 110.300 114.093 -3.793 25449 4831 1 10 . 1 1 45 45 THR HA H 45 4.160 4.160 4.340 -0.180 25449 4832 1 10 . 1 1 45 45 THR C C 45 175.500 175.500 173.961 1.539 25449 4833 1 10 . 1 1 45 45 THR CA C 45 62.000 62.000 61.431 0.569 25449 4834 1 10 . 1 1 45 45 THR CB C 45 70.000 70.000 69.546 0.454 25449 4835 1 10 . 1 1 45 45 THR H H 45 7.610 7.610 7.645 -0.035 25449 4836 1 10 . 1 1 46 46 LYS N N 46 115.700 115.700 121.653 -5.953 25449 4837 1 10 . 1 1 46 46 LYS HA H 46 3.720 3.720 3.931 -0.211 25449 4838 1 10 . 1 1 46 46 LYS C C 46 174.600 174.600 173.783 0.817 25449 4839 1 10 . 1 1 46 46 LYS CA C 46 57.600 57.600 57.320 0.280 25449 4840 1 10 . 1 1 46 46 LYS CB C 46 28.900 28.900 30.713 -1.813 25449 4841 1 10 . 1 1 46 46 LYS H H 46 8.460 8.460 8.148 0.312 25449 4842 1 10 . 1 1 47 47 LYS N N 47 117.100 117.100 119.813 -2.713 25449 4843 1 10 . 1 1 47 47 LYS HA H 47 4.680 4.680 4.570 0.110 25449 4844 1 10 . 1 1 47 47 LYS C C 47 176.300 176.300 176.669 -0.369 25449 4845 1 10 . 1 1 47 47 LYS CA C 47 54.000 54.000 53.840 0.160 25449 4846 1 10 . 1 1 47 47 LYS CB C 47 35.100 35.100 33.865 1.235 25449 4847 1 10 . 1 1 47 47 LYS H H 47 7.610 7.610 7.808 -0.198 25449 4848 1 10 . 1 1 48 48 ASN N N 48 117.700 117.700 120.989 -3.289 25449 4849 1 10 . 1 1 48 48 ASN HA H 48 4.700 4.700 4.762 -0.062 25449 4850 1 10 . 1 1 48 48 ASN C C 48 174.000 174.000 175.493 -1.493 25449 4851 1 10 . 1 1 48 48 ASN CA C 48 53.600 53.600 52.831 0.769 25449 4852 1 10 . 1 1 48 48 ASN CB C 48 37.700 37.700 39.183 -1.483 25449 4853 1 10 . 1 1 48 48 ASN H H 48 8.740 8.740 8.730 0.010 25449 4854 1 10 . 1 1 49 49 ARG N N 49 116.800 116.800 116.581 0.219 25449 4855 1 10 . 1 1 49 49 ARG HA H 49 4.350 4.350 3.971 0.379 25449 4856 1 10 . 1 1 49 49 ARG C C 49 177.500 177.500 176.537 0.963 25449 4857 1 10 . 1 1 49 49 ARG CA C 49 55.600 55.600 56.407 -0.807 25449 4858 1 10 . 1 1 49 49 ARG CB C 49 31.600 31.600 27.105 4.495 25449 4859 1 10 . 1 1 49 49 ARG H H 49 8.530 8.530 8.364 0.166 25449 4860 1 10 . 1 1 50 50 GLY N N 50 108.300 108.300 106.167 2.133 25449 4861 1 10 . 1 1 50 50 GLY C C 50 173.500 173.500 173.310 0.190 25449 4862 1 10 . 1 1 50 50 GLY CA C 50 45.800 45.800 45.593 0.207 25449 4863 1 10 . 1 1 50 50 GLY H H 50 8.900 8.900 8.692 0.208 25449 4864 1 10 . 1 1 51 51 PHE N N 51 113.900 113.900 116.126 -2.226 25449 4865 1 10 . 1 1 51 51 PHE HA H 51 5.470 5.470 4.746 0.724 25449 4866 1 10 . 1 1 51 51 PHE C C 51 172.000 172.000 172.357 -0.357 25449 4867 1 10 . 1 1 51 51 PHE CA C 51 55.000 55.000 55.689 -0.689 25449 4868 1 10 . 1 1 51 51 PHE CB C 51 42.700 42.700 40.846 1.854 25449 4869 1 10 . 1 1 51 51 PHE H H 51 6.910 6.910 7.323 -0.413 25449 4870 1 10 . 1 1 52 52 ALA N N 52 120.500 120.500 125.339 -4.839 25449 4871 1 10 . 1 1 52 52 ALA HA H 52 4.630 4.630 4.359 0.271 25449 4872 1 10 . 1 1 52 52 ALA C C 52 173.900 173.900 174.567 -0.667 25449 4873 1 10 . 1 1 52 52 ALA CA C 52 50.200 50.200 50.448 -0.248 25449 4874 1 10 . 1 1 52 52 ALA CB C 52 25.100 25.100 22.395 2.705 25449 4875 1 10 . 1 1 52 52 ALA H H 52 8.810 8.810 7.880 0.930 25449 4876 1 10 . 1 1 53 53 PHE N N 53 115.000 115.000 119.407 -4.407 25449 4877 1 10 . 1 1 53 53 PHE HA H 53 5.660 5.660 4.866 0.794 25449 4878 1 10 . 1 1 53 53 PHE C C 53 175.600 175.600 175.015 0.585 25449 4879 1 10 . 1 1 53 53 PHE CA C 53 56.200 56.200 55.905 0.295 25449 4880 1 10 . 1 1 53 53 PHE CB C 53 42.400 42.400 41.538 0.862 25449 4881 1 10 . 1 1 53 53 PHE H H 53 8.730 8.730 8.239 0.491 25449 4882 1 10 . 1 1 54 54 VAL N N 54 122.300 122.300 121.933 0.367 25449 4883 1 10 . 1 1 54 54 VAL HA H 54 4.100 4.100 4.269 -0.169 25449 4884 1 10 . 1 1 54 54 VAL C C 54 173.000 173.000 174.264 -1.264 25449 4885 1 10 . 1 1 54 54 VAL CA C 54 61.700 61.700 61.493 0.207 25449 4886 1 10 . 1 1 54 54 VAL CB C 54 34.400 34.400 34.616 -0.216 25449 4887 1 10 . 1 1 54 54 VAL H H 54 9.060 9.060 8.468 0.592 25449 4888 1 10 . 1 1 55 55 GLU N N 55 127.300 127.300 126.685 0.615 25449 4889 1 10 . 1 1 55 55 GLU HA H 55 5.160 5.160 4.707 0.453 25449 4890 1 10 . 1 1 55 55 GLU C C 55 175.900 175.900 175.544 0.356 25449 4891 1 10 . 1 1 55 55 GLU CA C 55 54.000 54.000 54.781 -0.781 25449 4892 1 10 . 1 1 55 55 GLU CB C 55 31.700 31.700 31.617 0.083 25449 4893 1 10 . 1 1 55 55 GLU H H 55 8.860 8.860 8.256 0.604 25449 4894 1 10 . 1 1 56 56 TYR N N 56 127.500 127.500 123.677 3.823 25449 4895 1 10 . 1 1 56 56 TYR HA H 56 4.520 4.520 4.505 0.015 25449 4896 1 10 . 1 1 56 56 TYR C C 56 175.000 175.000 175.818 -0.818 25449 4897 1 10 . 1 1 56 56 TYR CA C 56 59.700 59.700 59.154 0.546 25449 4898 1 10 . 1 1 56 56 TYR CB C 56 40.200 40.200 40.495 -0.294 25449 4899 1 10 . 1 1 56 56 TYR H H 56 9.470 9.470 8.047 1.423 25449 4900 1 10 . 1 1 57 57 VAL N N 57 119.200 119.200 120.902 -1.702 25449 4901 1 10 . 1 1 57 57 VAL HA H 57 3.570 3.570 3.953 -0.383 25449 4902 1 10 . 1 1 57 57 VAL C C 57 177.000 177.000 176.441 0.559 25449 4903 1 10 . 1 1 57 57 VAL CA C 57 66.300 66.300 64.859 1.441 25449 4904 1 10 . 1 1 57 57 VAL CB C 57 32.000 32.000 32.325 -0.325 25449 4905 1 10 . 1 1 57 57 VAL H H 57 7.800 7.800 7.890 -0.090 25449 4906 1 10 . 1 1 58 58 GLU N N 58 118.500 118.500 117.284 1.216 25449 4907 1 10 . 1 1 58 58 GLU HA H 58 4.780 4.780 4.658 0.122 25449 4908 1 10 . 1 1 58 58 GLU C C 58 177.500 177.500 177.442 0.058 25449 4909 1 10 . 1 1 58 58 GLU CA C 58 53.800 53.800 55.470 -1.670 25449 4910 1 10 . 1 1 58 58 GLU CB C 58 30.500 30.500 31.427 -0.927 25449 4911 1 10 . 1 1 58 58 GLU H H 58 9.530 9.530 8.158 1.372 25449 4912 1 10 . 1 1 59 59 VAL N N 59 125.200 125.200 121.041 4.159 25449 4913 1 10 . 1 1 59 59 VAL HA H 59 3.530 3.530 3.987 -0.457 25449 4914 1 10 . 1 1 59 59 VAL C C 59 177.600 177.600 176.967 0.633 25449 4915 1 10 . 1 1 59 59 VAL CA C 59 66.100 66.100 65.302 0.798 25449 4916 1 10 . 1 1 59 59 VAL CB C 59 31.700 31.700 32.482 -0.782 25449 4917 1 10 . 1 1 59 59 VAL H H 59 8.650 8.650 8.531 0.119 25449 4918 1 10 . 1 1 60 60 ASP N N 60 118.500 118.500 121.258 -2.758 25449 4919 1 10 . 1 1 60 60 ASP HA H 60 4.220 4.220 4.374 -0.154 25449 4920 1 10 . 1 1 60 60 ASP C C 60 178.300 178.300 177.863 0.437 25449 4921 1 10 . 1 1 60 60 ASP CA C 60 57.600 57.600 58.345 -0.745 25449 4922 1 10 . 1 1 60 60 ASP CB C 60 40.500 40.500 40.052 0.448 25449 4923 1 10 . 1 1 60 60 ASP H H 60 8.970 8.970 8.583 0.387 25449 4924 1 10 . 1 1 61 61 ASP N N 61 119.900 119.900 119.559 0.341 25449 4925 1 10 . 1 1 61 61 ASP HA H 61 4.360 4.360 4.419 -0.059 25449 4926 1 10 . 1 1 61 61 ASP C C 61 176.800 176.800 178.030 -1.230 25449 4927 1 10 . 1 1 61 61 ASP CA C 61 56.900 56.900 56.688 0.212 25449 4928 1 10 . 1 1 61 61 ASP CB C 61 39.800 39.800 40.473 -0.673 25449 4929 1 10 . 1 1 61 61 ASP H H 61 6.920 6.920 8.556 -1.636 25449 4930 1 10 . 1 1 62 62 ALA N N 62 122.700 122.700 122.560 0.140 25449 4931 1 10 . 1 1 62 62 ALA HA H 62 3.380 3.380 3.257 0.123 25449 4932 1 10 . 1 1 62 62 ALA C C 62 171.600 171.600 179.249 -7.649 25449 4933 1 10 . 1 1 62 62 ALA CA C 62 55.100 55.100 55.183 -0.083 25449 4934 1 10 . 1 1 62 62 ALA CB C 62 18.200 18.200 18.239 -0.039 25449 4935 1 10 . 1 1 62 62 ALA H H 62 6.910 6.910 7.563 -0.653 25449 4936 1 10 . 1 1 63 63 LYS N N 63 116.200 116.200 118.394 -2.194 25449 4937 1 10 . 1 1 63 63 LYS HA H 63 4.190 4.190 3.990 0.200 25449 4938 1 10 . 1 1 63 63 LYS C C 63 179.200 179.200 178.907 0.293 25449 4939 1 10 . 1 1 63 63 LYS CA C 63 59.300 59.300 59.530 -0.230 25449 4940 1 10 . 1 1 63 63 LYS CB C 63 32.600 32.600 31.655 0.945 25449 4941 1 10 . 1 1 63 63 LYS H H 63 8.020 8.020 7.955 0.065 25449 4942 1 10 . 1 1 64 64 HIS N N 64 117.400 117.400 117.478 -0.078 25449 4943 1 10 . 1 1 64 64 HIS HA H 64 4.310 4.310 4.254 0.056 25449 4944 1 10 . 1 1 64 64 HIS CA C 64 58.000 58.000 58.953 -0.953 25449 4945 1 10 . 1 1 64 64 HIS CB C 64 29.100 29.100 29.840 -0.740 25449 4946 1 10 . 1 1 64 64 HIS H H 64 7.460 7.460 7.474 -0.014 25449 4947 1 10 . 1 1 65 65 ALA N N 65 123.700 123.700 122.228 1.472 25449 4948 1 10 . 1 1 65 65 ALA HA H 65 2.170 2.170 3.898 -1.728 25449 4949 1 10 . 1 1 65 65 ALA C C 65 178.700 178.700 178.821 -0.121 25449 4950 1 10 . 1 1 65 65 ALA CA C 65 54.800 54.800 54.698 0.102 25449 4951 1 10 . 1 1 65 65 ALA CB C 65 19.400 19.400 18.442 0.958 25449 4952 1 10 . 1 1 65 65 ALA H H 65 8.190 8.190 7.509 0.681 25449 4953 1 10 . 1 1 66 66 LEU N N 66 119.800 119.800 118.175 1.625 25449 4954 1 10 . 1 1 66 66 LEU HA H 66 3.430 3.430 4.080 -0.650 25449 4955 1 10 . 1 1 66 66 LEU C C 66 178.700 178.700 179.026 -0.326 25449 4956 1 10 . 1 1 66 66 LEU CA C 66 59.700 59.700 57.672 2.028 25449 4957 1 10 . 1 1 66 66 LEU CB C 66 41.100 41.100 41.715 -0.615 25449 4958 1 10 . 1 1 66 66 LEU H H 66 8.340 8.340 7.466 0.874 25449 4959 1 10 . 1 1 67 67 TYR N N 67 116.200 116.200 119.794 -3.594 25449 4960 1 10 . 1 1 67 67 TYR HA H 67 4.010 4.010 4.049 -0.039 25449 4961 1 10 . 1 1 67 67 TYR C C 67 177.700 177.700 177.590 0.110 25449 4962 1 10 . 1 1 67 67 TYR CA C 67 60.500 60.500 62.252 -1.752 25449 4963 1 10 . 1 1 67 67 TYR CB C 67 38.100 38.100 38.445 -0.345 25449 4964 1 10 . 1 1 67 67 TYR H H 67 7.760 7.760 7.808 -0.048 25449 4965 1 10 . 1 1 68 68 ASN N N 68 113.900 113.900 116.552 -2.652 25449 4966 1 10 . 1 1 68 68 ASN HA H 68 4.430 4.430 4.614 -0.184 25449 4967 1 10 . 1 1 68 68 ASN C C 68 176.400 176.400 176.140 0.260 25449 4968 1 10 . 1 1 68 68 ASN CA C 68 55.600 55.600 55.031 0.569 25449 4969 1 10 . 1 1 68 68 ASN CB C 68 41.400 41.400 38.692 2.708 25449 4970 1 10 . 1 1 68 68 ASN H H 68 7.480 7.480 7.766 -0.286 25449 4971 1 10 . 1 1 69 69 MET N N 69 114.900 114.900 115.111 -0.211 25449 4972 1 10 . 1 1 69 69 MET HA H 69 4.760 4.760 4.544 0.216 25449 4973 1 10 . 1 1 69 69 MET C C 69 177.000 177.000 176.043 0.957 25449 4974 1 10 . 1 1 69 69 MET CA C 69 53.500 53.500 53.768 -0.268 25449 4975 1 10 . 1 1 69 69 MET CB C 69 31.100 31.100 32.393 -1.293 25449 4976 1 10 . 1 1 69 69 MET H H 69 8.310 8.310 7.552 0.758 25449 4977 1 10 . 1 1 70 70 ASN N N 70 117.700 117.700 116.914 0.786 25449 4978 1 10 . 1 1 70 70 ASN HA H 70 4.370 4.370 4.729 -0.359 25449 4979 1 10 . 1 1 70 70 ASN C C 70 176.400 176.400 175.634 0.766 25449 4980 1 10 . 1 1 70 70 ASN CA C 70 56.100 56.100 55.245 0.855 25449 4981 1 10 . 1 1 70 70 ASN CB C 70 38.700 38.700 38.808 -0.108 25449 4982 1 10 . 1 1 70 70 ASN H H 70 7.660 7.660 7.734 -0.074 25449 4983 1 10 . 1 1 71 71 ASN N N 71 121.500 121.500 114.633 6.867 25449 4984 1 10 . 1 1 71 71 ASN HA H 71 4.510 4.510 4.710 -0.200 25449 4985 1 10 . 1 1 71 71 ASN C C 71 173.300 173.300 175.171 -1.871 25449 4986 1 10 . 1 1 71 71 ASN CA C 71 55.800 55.800 52.995 2.805 25449 4987 1 10 . 1 1 71 71 ASN CB C 71 38.200 38.200 38.648 -0.448 25449 4988 1 10 . 1 1 71 71 ASN H H 71 8.600 8.600 8.103 0.497 25449 4989 1 10 . 1 1 72 72 PHE N N 72 122.300 122.300 122.720 -0.420 25449 4990 1 10 . 1 1 72 72 PHE HA H 72 4.190 4.190 4.428 -0.238 25449 4991 1 10 . 1 1 72 72 PHE C C 72 174.100 174.100 174.537 -0.437 25449 4992 1 10 . 1 1 72 72 PHE CA C 72 58.700 58.700 58.388 0.312 25449 4993 1 10 . 1 1 72 72 PHE CB C 72 41.300 41.300 39.987 1.313 25449 4994 1 10 . 1 1 72 72 PHE H H 72 7.870 7.870 7.855 0.015 25449 4995 1 10 . 1 1 73 73 GLU N N 73 126.100 126.100 127.220 -1.120 25449 4996 1 10 . 1 1 73 73 GLU HA H 73 4.230 4.230 4.330 -0.100 25449 4997 1 10 . 1 1 73 73 GLU C C 73 173.000 173.000 174.096 -1.096 25449 4998 1 10 . 1 1 73 73 GLU CA C 73 55.600 55.600 54.157 1.443 25449 4999 1 10 . 1 1 73 73 GLU CB C 73 30.300 30.300 31.543 -1.243 25449 5000 1 10 . 1 1 73 73 GLU H H 73 7.690 7.690 7.923 -0.233 25449 5001 1 10 . 1 1 74 74 LEU N N 74 128.900 128.900 124.010 4.890 25449 5002 1 10 . 1 1 74 74 LEU HA H 74 4.520 4.520 4.331 0.189 25449 5003 1 10 . 1 1 74 74 LEU C C 74 175.500 175.500 175.411 0.089 25449 5004 1 10 . 1 1 74 74 LEU CA C 74 53.300 53.300 54.449 -1.149 25449 5005 1 10 . 1 1 74 74 LEU CB C 74 44.600 44.600 43.006 1.594 25449 5006 1 10 . 1 1 74 74 LEU H H 74 8.620 8.620 7.970 0.650 25449 5007 1 10 . 1 1 75 75 ASN N N 75 126.800 126.800 121.598 5.202 25449 5008 1 10 . 1 1 75 75 ASN HA H 75 4.210 4.210 4.415 -0.205 25449 5009 1 10 . 1 1 75 75 ASN C C 75 175.600 175.600 175.504 0.096 25449 5010 1 10 . 1 1 75 75 ASN CA C 75 53.900 53.900 53.658 0.242 25449 5011 1 10 . 1 1 75 75 ASN CB C 75 36.900 36.900 37.364 -0.464 25449 5012 1 10 . 1 1 75 75 ASN H H 75 9.520 9.520 8.939 0.581 25449 5013 1 10 . 1 1 76 76 GLY N N 76 102.300 102.300 102.461 -0.161 25449 5014 1 10 . 1 1 76 76 GLY C C 76 173.600 173.600 173.282 0.318 25449 5015 1 10 . 1 1 76 76 GLY CA C 76 45.300 45.300 44.924 0.376 25449 5016 1 10 . 1 1 76 76 GLY H H 76 8.500 8.500 8.287 0.213 25449 5017 1 10 . 1 1 77 77 LYS N N 77 120.800 120.800 118.469 2.331 25449 5018 1 10 . 1 1 77 77 LYS HA H 77 4.570 4.570 4.513 0.057 25449 5019 1 10 . 1 1 77 77 LYS C C 77 175.100 175.100 174.498 0.602 25449 5020 1 10 . 1 1 77 77 LYS CA C 77 54.200 54.200 55.015 -0.815 25449 5021 1 10 . 1 1 77 77 LYS CB C 77 34.500 34.500 34.145 0.355 25449 5022 1 10 . 1 1 77 77 LYS H H 77 7.580 7.580 7.477 0.103 25449 5023 1 10 . 1 1 78 78 ARG N N 78 123.300 123.300 124.295 -0.995 25449 5024 1 10 . 1 1 78 78 ARG HA H 78 4.480 4.480 4.504 -0.024 25449 5025 1 10 . 1 1 78 78 ARG C C 78 176.600 176.600 175.733 0.867 25449 5026 1 10 . 1 1 78 78 ARG CA C 78 55.300 55.300 54.538 0.761 25449 5027 1 10 . 1 1 78 78 ARG CB C 78 30.300 30.300 30.886 -0.586 25449 5028 1 10 . 1 1 78 78 ARG H H 78 8.580 8.580 8.520 0.060 25449 5029 1 10 . 1 1 79 79 ILE N N 79 120.100 120.100 123.772 -3.672 25449 5030 1 10 . 1 1 79 79 ILE HA H 79 4.700 4.700 4.335 0.365 25449 5031 1 10 . 1 1 79 79 ILE C C 79 175.200 175.200 175.099 0.101 25449 5032 1 10 . 1 1 79 79 ILE CA C 79 60.000 60.000 60.537 -0.537 25449 5033 1 10 . 1 1 79 79 ILE CB C 79 39.400 39.400 38.760 0.640 25449 5034 1 10 . 1 1 79 79 ILE H H 79 8.450 8.450 8.362 0.088 25449 5035 1 10 . 1 1 80 80 HIS N N 80 119.900 119.900 125.584 -5.684 25449 5036 1 10 . 1 1 80 80 HIS HA H 80 5.190 5.190 4.259 0.931 25449 5037 1 10 . 1 1 80 80 HIS C C 80 173.600 173.600 174.576 -0.976 25449 5038 1 10 . 1 1 80 80 HIS CA C 80 53.800 53.800 54.982 -1.182 25449 5039 1 10 . 1 1 80 80 HIS CB C 80 31.300 31.300 30.027 1.273 25449 5040 1 10 . 1 1 80 80 HIS H H 80 8.580 8.580 8.454 0.126 25449 5041 1 10 . 1 1 81 81 VAL N N 81 123.800 123.800 126.611 -2.811 25449 5042 1 10 . 1 1 81 81 VAL HA H 81 5.280 5.280 4.572 0.708 25449 5043 1 10 . 1 1 81 81 VAL C C 81 173.600 173.600 175.192 -1.592 25449 5044 1 10 . 1 1 81 81 VAL CA C 81 60.200 60.200 61.586 -1.386 25449 5045 1 10 . 1 1 81 81 VAL CB C 81 35.000 35.000 33.044 1.956 25449 5046 1 10 . 1 1 81 81 VAL H H 81 8.650 8.650 8.858 -0.208 25449 5047 1 10 . 1 1 82 82 ASN N N 82 121.100 121.100 124.681 -3.581 25449 5048 1 10 . 1 1 82 82 ASN HA H 82 4.750 4.750 5.124 -0.374 25449 5049 1 10 . 1 1 82 82 ASN C C 82 174.000 174.000 173.383 0.617 25449 5050 1 10 . 1 1 82 82 ASN CA C 82 51.900 51.900 52.198 -0.298 25449 5051 1 10 . 1 1 82 82 ASN CB C 82 42.900 42.900 42.456 0.444 25449 5052 1 10 . 1 1 82 82 ASN H H 82 8.890 8.890 8.532 0.358 25449 5053 1 10 . 1 1 83 83 TYR N N 83 120.400 120.400 120.607 -0.207 25449 5054 1 10 . 1 1 83 83 TYR HA H 83 4.800 4.800 4.884 -0.084 25449 5055 1 10 . 1 1 83 83 TYR C C 83 177.100 177.100 175.349 1.751 25449 5056 1 10 . 1 1 83 83 TYR CA C 83 59.400 59.400 57.992 1.408 25449 5057 1 10 . 1 1 83 83 TYR CB C 83 38.700 38.700 39.618 -0.918 25449 5058 1 10 . 1 1 83 83 TYR H H 83 8.480 8.480 8.696 -0.216 25449 5059 1 10 . 1 1 84 84 SER N N 84 118.000 118.000 117.988 0.012 25449 5060 1 10 . 1 1 84 84 SER HA H 84 4.520 4.520 4.379 0.141 25449 5061 1 10 . 1 1 84 84 SER C C 84 174.100 174.100 171.999 2.101 25449 5062 1 10 . 1 1 84 84 SER CA C 84 57.700 57.700 56.561 1.139 25449 5063 1 10 . 1 1 84 84 SER CB C 84 64.300 64.300 65.822 -1.522 25449 5064 1 10 . 1 1 84 84 SER H H 84 9.040 9.040 7.674 1.366 25449 5065 1 10 . 1 1 85 85 LYS N N 85 125.300 125.300 121.010 4.290 25449 5066 1 10 . 1 1 85 85 LYS HA H 85 4.440 4.440 4.287 0.153 25449 5067 1 10 . 1 1 85 85 LYS C C 85 175.600 175.600 175.620 -0.020 25449 5068 1 10 . 1 1 85 85 LYS CA C 85 56.300 56.300 54.958 1.342 25449 5069 1 10 . 1 1 85 85 LYS CB C 85 33.700 33.700 33.190 0.510 25449 5070 1 10 . 1 1 85 85 LYS H H 85 8.410 8.410 8.115 0.295 25449 5071 1 11 . 1 1 -1 -1 SER N N -1 115.600 115.600 115.141 0.459 25449 5072 1 11 . 1 1 -1 -1 SER HA H -1 4.410 4.410 4.526 -0.116 25449 5073 1 11 . 1 1 -1 -1 SER C C -1 172.000 172.000 173.014 -1.014 25449 5074 1 11 . 1 1 -1 -1 SER CA C -1 58.200 58.200 59.142 -0.942 25449 5075 1 11 . 1 1 -1 -1 SER CB C -1 63.900 63.900 63.677 0.223 25449 5076 1 11 . 1 1 -1 -1 SER H H -1 8.670 8.670 8.572 0.098 25449 5077 1 11 . 1 1 0 0 HIS N N 0 121.200 121.200 120.126 1.074 25449 5078 1 11 . 1 1 0 0 HIS HA H 0 4.590 4.590 4.747 -0.157 25449 5079 1 11 . 1 1 0 0 HIS C C 0 174.800 174.800 173.561 1.239 25449 5080 1 11 . 1 1 0 0 HIS CA C 0 56.100 56.100 56.163 -0.063 25449 5081 1 11 . 1 1 0 0 HIS CB C 0 29.900 29.900 31.288 -1.387 25449 5082 1 11 . 1 1 0 0 HIS H H 0 8.730 8.730 8.084 0.646 25449 5083 1 11 . 1 1 1 1 MET N N 1 121.800 121.800 125.084 -3.284 25449 5084 1 11 . 1 1 1 1 MET HA H 1 4.370 4.370 4.866 -0.496 25449 5085 1 11 . 1 1 1 1 MET C C 1 176.300 176.300 174.615 1.685 25449 5086 1 11 . 1 1 1 1 MET CA C 1 55.700 55.700 54.890 0.810 25449 5087 1 11 . 1 1 1 1 MET CB C 1 32.800 32.800 33.174 -0.374 25449 5088 1 11 . 1 1 1 1 MET H H 1 8.450 8.450 8.341 0.109 25449 5089 1 11 . 1 1 2 2 SER N N 2 116.700 116.700 119.925 -3.225 25449 5090 1 11 . 1 1 2 2 SER HA H 2 4.370 4.370 4.822 -0.452 25449 5091 1 11 . 1 1 2 2 SER C C 2 174.200 174.200 174.392 -0.192 25449 5092 1 11 . 1 1 2 2 SER CA C 2 58.400 58.400 57.532 0.868 25449 5093 1 11 . 1 1 2 2 SER CB C 2 63.800 63.800 66.148 -2.348 25449 5094 1 11 . 1 1 2 2 SER H H 2 8.410 8.410 8.730 -0.320 25449 5095 1 11 . 1 1 3 3 ASP N N 3 122.100 122.100 125.203 -3.103 25449 5096 1 11 . 1 1 3 3 ASP HA H 3 4.550 4.550 4.551 -0.001 25449 5097 1 11 . 1 1 3 3 ASP C C 3 176.100 176.100 176.232 -0.132 25449 5098 1 11 . 1 1 3 3 ASP CA C 3 54.500 54.500 55.286 -0.786 25449 5099 1 11 . 1 1 3 3 ASP CB C 3 41.200 41.200 41.287 -0.087 25449 5100 1 11 . 1 1 3 3 ASP H H 3 8.340 8.340 8.914 -0.574 25449 5101 1 11 . 1 1 4 4 ASN N N 4 119.100 119.100 117.601 1.499 25449 5102 1 11 . 1 1 4 4 ASN HA H 4 4.580 4.580 4.267 0.313 25449 5103 1 11 . 1 1 4 4 ASN C C 4 174.900 174.900 173.939 0.961 25449 5104 1 11 . 1 1 4 4 ASN CA C 4 53.700 53.700 53.821 -0.121 25449 5105 1 11 . 1 1 4 4 ASN CB C 4 38.900 38.900 37.185 1.715 25449 5106 1 11 . 1 1 4 4 ASN H H 4 8.420 8.420 8.096 0.324 25449 5107 1 11 . 1 1 5 5 ASN N N 5 118.400 118.400 119.591 -1.191 25449 5108 1 11 . 1 1 5 5 ASN HA H 5 4.540 4.540 4.564 -0.024 25449 5109 1 11 . 1 1 5 5 ASN C C 5 173.900 173.900 174.820 -0.920 25449 5110 1 11 . 1 1 5 5 ASN CA C 5 53.200 53.200 52.530 0.670 25449 5111 1 11 . 1 1 5 5 ASN CB C 5 38.700 38.700 38.547 0.153 25449 5112 1 11 . 1 1 5 5 ASN H H 5 8.340 8.340 8.469 -0.129 25449 5113 1 11 . 1 1 6 6 ALA N N 6 122.100 122.100 123.304 -1.204 25449 5114 1 11 . 1 1 6 6 ALA HA H 6 2.740 2.740 4.253 -1.513 25449 5115 1 11 . 1 1 6 6 ALA C C 6 177.000 177.000 176.637 0.363 25449 5116 1 11 . 1 1 6 6 ALA CA C 6 52.300 52.300 53.123 -0.824 25449 5117 1 11 . 1 1 6 6 ALA CB C 6 20.000 20.000 19.137 0.863 25449 5118 1 11 . 1 1 6 6 ALA H H 6 7.590 7.590 7.399 0.191 25449 5119 1 11 . 1 1 7 7 THR N N 7 112.700 112.700 118.290 -5.590 25449 5120 1 11 . 1 1 7 7 THR HA H 7 4.390 4.390 4.620 -0.230 25449 5121 1 11 . 1 1 7 7 THR C C 7 171.700 171.700 174.412 -2.712 25449 5122 1 11 . 1 1 7 7 THR CA C 7 59.800 59.800 61.058 -1.258 25449 5123 1 11 . 1 1 7 7 THR CB C 7 70.600 70.600 71.295 -0.695 25449 5124 1 11 . 1 1 7 7 THR H H 7 6.840 6.840 8.230 -1.390 25449 5125 1 11 . 1 1 8 8 ASP N N 8 114.600 114.600 120.849 -6.249 25449 5126 1 11 . 1 1 8 8 ASP HA H 8 4.490 4.490 4.369 0.121 25449 5127 1 11 . 1 1 8 8 ASP C C 8 174.300 174.300 174.551 -0.251 25449 5128 1 11 . 1 1 8 8 ASP CA C 8 53.500 53.500 55.741 -2.241 25449 5129 1 11 . 1 1 8 8 ASP CB C 8 39.800 39.800 40.561 -0.761 25449 5130 1 11 . 1 1 8 8 ASP H H 8 8.170 8.170 8.766 -0.596 25449 5131 1 11 . 1 1 9 9 ILE N N 9 117.800 117.800 118.706 -0.906 25449 5132 1 11 . 1 1 9 9 ILE HA H 9 4.810 4.810 5.072 -0.262 25449 5133 1 11 . 1 1 9 9 ILE C C 9 174.700 174.700 174.443 0.257 25449 5134 1 11 . 1 1 9 9 ILE CA C 9 60.600 60.600 60.332 0.268 25449 5135 1 11 . 1 1 9 9 ILE CB C 9 40.300 40.300 40.840 -0.541 25449 5136 1 11 . 1 1 9 9 ILE H H 9 7.890 7.890 7.428 0.462 25449 5137 1 11 . 1 1 10 10 LEU N N 10 125.300 125.300 126.353 -1.053 25449 5138 1 11 . 1 1 10 10 LEU HA H 10 4.960 4.960 4.733 0.227 25449 5139 1 11 . 1 1 10 10 LEU C C 10 176.100 176.100 175.262 0.838 25449 5140 1 11 . 1 1 10 10 LEU CA C 10 52.900 52.900 54.002 -1.101 25449 5141 1 11 . 1 1 10 10 LEU CB C 10 43.100 43.100 44.574 -1.474 25449 5142 1 11 . 1 1 10 10 LEU H H 10 9.370 9.370 8.285 1.085 25449 5143 1 11 . 1 1 11 11 PHE N N 11 124.300 124.300 127.043 -2.743 25449 5144 1 11 . 1 1 11 11 PHE HA H 11 4.670 4.670 4.560 0.110 25449 5145 1 11 . 1 1 11 11 PHE C C 11 173.400 173.400 173.908 -0.508 25449 5146 1 11 . 1 1 11 11 PHE CA C 11 57.000 57.000 57.325 -0.325 25449 5147 1 11 . 1 1 11 11 PHE CB C 11 40.700 40.700 39.685 1.015 25449 5148 1 11 . 1 1 11 11 PHE H H 11 9.310 9.310 8.121 1.189 25449 5149 1 11 . 1 1 12 12 VAL N N 12 128.300 128.300 125.311 2.989 25449 5150 1 11 . 1 1 12 12 VAL HA H 12 4.420 4.420 4.932 -0.512 25449 5151 1 11 . 1 1 12 12 VAL C C 12 173.900 173.900 174.952 -1.052 25449 5152 1 11 . 1 1 12 12 VAL CA C 12 60.200 60.200 59.562 0.638 25449 5153 1 11 . 1 1 12 12 VAL CB C 12 33.100 33.100 32.103 0.997 25449 5154 1 11 . 1 1 12 12 VAL H H 12 8.380 8.380 7.561 0.819 25449 5155 1 11 . 1 1 13 13 GLY N N 13 111.800 111.800 111.874 -0.074 25449 5156 1 11 . 1 1 13 13 GLY C C 13 173.800 173.800 172.992 0.808 25449 5157 1 11 . 1 1 13 13 GLY CA C 13 43.400 43.400 43.361 0.039 25449 5158 1 11 . 1 1 13 13 GLY H H 13 9.150 9.150 7.522 1.628 25449 5159 1 11 . 1 1 14 14 GLY N N 14 107.600 107.600 107.469 0.131 25449 5160 1 11 . 1 1 14 14 GLY C C 14 175.400 175.400 173.938 1.462 25449 5161 1 11 . 1 1 14 14 GLY CA C 14 45.800 45.800 44.943 0.857 25449 5162 1 11 . 1 1 14 14 GLY H H 14 8.260 8.260 8.002 0.258 25449 5163 1 11 . 1 1 15 15 ILE N N 15 111.100 111.100 116.423 -5.323 25449 5164 1 11 . 1 1 15 15 ILE HA H 15 4.040 4.040 4.368 -0.328 25449 5165 1 11 . 1 1 15 15 ILE C C 15 175.500 175.500 174.646 0.854 25449 5166 1 11 . 1 1 15 15 ILE CA C 15 60.500 60.500 58.933 1.567 25449 5167 1 11 . 1 1 15 15 ILE CB C 15 38.500 38.500 39.483 -0.983 25449 5168 1 11 . 1 1 15 15 ILE H H 15 6.930 6.930 7.224 -0.294 25449 5169 1 11 . 1 1 16 16 ASP N N 16 122.800 122.800 121.751 1.049 25449 5170 1 11 . 1 1 16 16 ASP HA H 16 4.580 4.580 4.617 -0.037 25449 5171 1 11 . 1 1 16 16 ASP C C 16 177.200 177.200 176.607 0.593 25449 5172 1 11 . 1 1 16 16 ASP CA C 16 53.700 53.700 53.356 0.344 25449 5173 1 11 . 1 1 16 16 ASP CB C 16 42.500 42.500 42.754 -0.254 25449 5174 1 11 . 1 1 16 16 ASP H H 16 8.320 8.320 8.528 -0.208 25449 5175 1 11 . 1 1 17 17 GLU N N 17 119.600 119.600 121.134 -1.534 25449 5176 1 11 . 1 1 17 17 GLU HA H 17 4.140 4.140 4.192 -0.052 25449 5177 1 11 . 1 1 17 17 GLU C C 17 176.800 176.800 176.359 0.441 25449 5178 1 11 . 1 1 17 17 GLU CA C 17 58.600 58.600 57.226 1.374 25449 5179 1 11 . 1 1 17 17 GLU CB C 17 29.800 29.800 28.721 1.079 25449 5180 1 11 . 1 1 17 17 GLU H H 17 8.830 8.830 8.813 0.017 25449 5181 1 11 . 1 1 18 18 THR N N 18 111.300 111.300 114.478 -3.178 25449 5182 1 11 . 1 1 18 18 THR HA H 18 4.250 4.250 4.495 -0.245 25449 5183 1 11 . 1 1 18 18 THR C C 18 175.200 175.200 174.811 0.389 25449 5184 1 11 . 1 1 18 18 THR CA C 18 62.600 62.600 61.768 0.832 25449 5185 1 11 . 1 1 18 18 THR CB C 18 69.600 69.600 69.703 -0.103 25449 5186 1 11 . 1 1 18 18 THR H H 18 8.740 8.740 7.750 0.990 25449 5187 1 11 . 1 1 19 19 ILE N N 19 123.300 123.300 120.146 3.154 25449 5188 1 11 . 1 1 19 19 ILE HA H 19 3.880 3.880 4.293 -0.413 25449 5189 1 11 . 1 1 19 19 ILE C C 19 174.300 174.300 174.367 -0.067 25449 5190 1 11 . 1 1 19 19 ILE CA C 19 59.900 59.900 58.983 0.917 25449 5191 1 11 . 1 1 19 19 ILE CB C 19 35.600 35.600 38.498 -2.898 25449 5192 1 11 . 1 1 19 19 ILE H H 19 7.220 7.220 7.504 -0.284 25449 5193 1 11 . 1 1 20 20 ASP N N 20 125.600 125.600 123.767 1.833 25449 5194 1 11 . 1 1 20 20 ASP HA H 20 4.640 4.640 4.806 -0.166 25449 5195 1 11 . 1 1 20 20 ASP C C 20 175.300 175.300 177.108 -1.808 25449 5196 1 11 . 1 1 20 20 ASP CA C 20 51.500 51.500 53.037 -1.537 25449 5197 1 11 . 1 1 20 20 ASP CB C 20 43.000 43.000 43.457 -0.457 25449 5198 1 11 . 1 1 20 20 ASP H H 20 7.790 7.790 8.502 -0.712 25449 5199 1 11 . 1 1 21 21 GLU N N 21 118.400 118.400 121.340 -2.940 25449 5200 1 11 . 1 1 21 21 GLU HA H 21 3.630 3.630 3.965 -0.335 25449 5201 1 11 . 1 1 21 21 GLU C C 21 177.900 177.900 178.141 -0.241 25449 5202 1 11 . 1 1 21 21 GLU CA C 21 60.900 60.900 59.983 0.917 25449 5203 1 11 . 1 1 21 21 GLU CB C 21 29.200 29.200 29.629 -0.429 25449 5204 1 11 . 1 1 21 21 GLU H H 21 9.220 9.220 8.813 0.407 25449 5205 1 11 . 1 1 22 22 LYS N N 22 119.700 119.700 117.331 2.369 25449 5206 1 11 . 1 1 22 22 LYS HA H 22 4.060 4.060 3.993 0.067 25449 5207 1 11 . 1 1 22 22 LYS C C 22 178.500 178.500 178.642 -0.142 25449 5208 1 11 . 1 1 22 22 LYS CA C 22 59.300 59.300 59.030 0.270 25449 5209 1 11 . 1 1 22 22 LYS CB C 22 31.800 31.800 31.305 0.495 25449 5210 1 11 . 1 1 22 22 LYS H H 22 8.040 8.040 8.377 -0.337 25449 5211 1 11 . 1 1 23 23 SER N N 23 114.900 114.900 115.868 -0.968 25449 5212 1 11 . 1 1 23 23 SER HA H 23 4.300 4.300 4.307 -0.007 25449 5213 1 11 . 1 1 23 23 SER C C 23 177.600 177.600 176.160 1.440 25449 5214 1 11 . 1 1 23 23 SER CA C 23 61.800 61.800 61.412 0.388 25449 5215 1 11 . 1 1 23 23 SER CB C 23 62.900 62.900 62.360 0.540 25449 5216 1 11 . 1 1 23 23 SER H H 23 8.240 8.240 8.447 -0.207 25449 5217 1 11 . 1 1 24 24 LEU N N 24 118.800 118.800 121.150 -2.350 25449 5218 1 11 . 1 1 24 24 LEU HA H 24 4.180 4.180 4.337 -0.157 25449 5219 1 11 . 1 1 24 24 LEU C C 24 178.700 178.700 178.296 0.404 25449 5220 1 11 . 1 1 24 24 LEU CA C 24 57.300 57.300 56.313 0.987 25449 5221 1 11 . 1 1 24 24 LEU CB C 24 42.100 42.100 41.661 0.439 25449 5222 1 11 . 1 1 24 24 LEU H H 24 7.750 7.750 7.435 0.315 25449 5223 1 11 . 1 1 25 25 TYR N N 25 123.200 123.200 121.108 2.092 25449 5224 1 11 . 1 1 25 25 TYR HA H 25 3.630 3.630 4.188 -0.558 25449 5225 1 11 . 1 1 25 25 TYR C C 25 178.600 178.600 176.628 1.972 25449 5226 1 11 . 1 1 25 25 TYR CA C 25 63.200 63.200 61.225 1.975 25449 5227 1 11 . 1 1 25 25 TYR CB C 25 38.200 38.200 39.072 -0.872 25449 5228 1 11 . 1 1 25 25 TYR H H 25 8.970 8.970 7.467 1.503 25449 5229 1 11 . 1 1 26 26 ASP N N 26 119.800 119.800 117.696 2.104 25449 5230 1 11 . 1 1 26 26 ASP HA H 26 4.270 4.270 4.593 -0.323 25449 5231 1 11 . 1 1 26 26 ASP C C 26 177.900 177.900 177.850 0.050 25449 5232 1 11 . 1 1 26 26 ASP CA C 26 57.700 57.700 57.620 0.081 25449 5233 1 11 . 1 1 26 26 ASP CB C 26 40.000 40.000 41.353 -1.353 25449 5234 1 11 . 1 1 26 26 ASP H H 26 8.510 8.510 7.882 0.628 25449 5235 1 11 . 1 1 27 27 ILE N N 27 114.700 114.700 118.629 -3.929 25449 5236 1 11 . 1 1 27 27 ILE HA H 27 3.960 3.960 3.884 0.076 25449 5237 1 11 . 1 1 27 27 ILE C C 27 177.700 177.700 177.518 0.182 25449 5238 1 11 . 1 1 27 27 ILE CA C 27 63.300 63.300 64.625 -1.325 25449 5239 1 11 . 1 1 27 27 ILE CB C 27 39.000 39.000 38.428 0.572 25449 5240 1 11 . 1 1 27 27 ILE H H 27 7.320 7.320 7.615 -0.295 25449 5241 1 11 . 1 1 28 28 PHE N N 28 116.900 116.900 117.105 -0.205 25449 5242 1 11 . 1 1 28 28 PHE HA H 28 4.370 4.370 4.451 -0.081 25449 5243 1 11 . 1 1 28 28 PHE C C 28 179.900 179.900 176.627 3.273 25449 5244 1 11 . 1 1 28 28 PHE CA C 28 62.300 62.300 59.311 2.989 25449 5245 1 11 . 1 1 28 28 PHE CB C 28 37.300 37.300 38.761 -1.461 25449 5246 1 11 . 1 1 28 28 PHE H H 28 8.650 8.650 8.287 0.363 25449 5247 1 11 . 1 1 29 29 SER N N 29 120.100 120.100 111.670 8.430 25449 5248 1 11 . 1 1 29 29 SER HA H 29 4.410 4.410 4.496 -0.086 25449 5249 1 11 . 1 1 29 29 SER C C 29 175.600 175.600 175.547 0.053 25449 5250 1 11 . 1 1 29 29 SER CA C 29 61.300 61.300 59.136 2.164 25449 5251 1 11 . 1 1 29 29 SER CB C 29 62.200 62.200 63.028 -0.828 25449 5252 1 11 . 1 1 29 29 SER H H 29 8.880 8.880 7.699 1.181 25449 5253 1 11 . 1 1 30 30 SER N N 30 116.200 116.200 117.209 -1.009 25449 5254 1 11 . 1 1 30 30 SER HA H 30 3.940 3.940 4.301 -0.361 25449 5255 1 11 . 1 1 30 30 SER C C 30 174.900 174.900 175.671 -0.771 25449 5256 1 11 . 1 1 30 30 SER CA C 30 60.400 60.400 60.673 -0.273 25449 5257 1 11 . 1 1 30 30 SER CB C 30 62.400 62.400 63.279 -0.879 25449 5258 1 11 . 1 1 30 30 SER H H 30 7.270 7.270 7.929 -0.659 25449 5259 1 11 . 1 1 31 31 PHE N N 31 115.600 115.600 121.744 -6.144 25449 5260 1 11 . 1 1 31 31 PHE HA H 31 4.280 4.280 4.565 -0.285 25449 5261 1 11 . 1 1 31 31 PHE C C 31 174.100 174.100 176.275 -2.175 25449 5262 1 11 . 1 1 31 31 PHE CA C 31 58.900 58.900 59.240 -0.340 25449 5263 1 11 . 1 1 31 31 PHE CB C 31 39.300 39.300 40.122 -0.822 25449 5264 1 11 . 1 1 31 31 PHE H H 31 6.980 6.980 8.041 -1.061 25449 5265 1 11 . 1 1 32 32 GLY N N 32 104.900 104.900 106.649 -1.749 25449 5266 1 11 . 1 1 32 32 GLY C C 32 171.600 171.600 172.408 -0.808 25449 5267 1 11 . 1 1 32 32 GLY CA C 32 44.300 44.300 44.475 -0.175 25449 5268 1 11 . 1 1 32 32 GLY H H 32 7.300 7.300 7.582 -0.282 25449 5269 1 11 . 1 1 33 33 ASP N N 33 116.100 116.100 124.826 -8.726 25449 5270 1 11 . 1 1 33 33 ASP HA H 33 4.510 4.510 4.313 0.197 25449 5271 1 11 . 1 1 33 33 ASP C C 33 176.800 176.800 174.590 2.210 25449 5272 1 11 . 1 1 33 33 ASP CA C 33 55.400 55.400 55.312 0.088 25449 5273 1 11 . 1 1 33 33 ASP CB C 33 40.600 40.600 42.429 -1.829 25449 5274 1 11 . 1 1 33 33 ASP H H 33 8.120 8.120 8.363 -0.243 25449 5275 1 11 . 1 1 34 34 ILE N N 34 126.400 126.400 118.665 7.735 25449 5276 1 11 . 1 1 34 34 ILE HA H 34 3.850 3.850 4.103 -0.253 25449 5277 1 11 . 1 1 34 34 ILE C C 34 176.200 176.200 176.489 -0.289 25449 5278 1 11 . 1 1 34 34 ILE CA C 34 60.200 60.200 58.478 1.722 25449 5279 1 11 . 1 1 34 34 ILE CB C 34 39.900 39.900 39.775 0.125 25449 5280 1 11 . 1 1 34 34 ILE H H 34 8.670 8.670 7.979 0.691 25449 5281 1 11 . 1 1 35 35 ARG N N 35 128.900 128.900 126.735 2.165 25449 5282 1 11 . 1 1 35 35 ARG HA H 35 4.160 4.160 4.267 -0.107 25449 5283 1 11 . 1 1 35 35 ARG C C 35 175.600 175.600 175.811 -0.211 25449 5284 1 11 . 1 1 35 35 ARG CA C 35 57.500 57.500 57.735 -0.235 25449 5285 1 11 . 1 1 35 35 ARG CB C 35 31.700 31.700 31.229 0.471 25449 5286 1 11 . 1 1 35 35 ARG H H 35 9.320 9.320 8.592 0.728 25449 5287 1 11 . 1 1 36 36 ASN N N 36 114.300 114.300 114.195 0.105 25449 5288 1 11 . 1 1 36 36 ASN HA H 36 4.710 4.710 4.821 -0.111 25449 5289 1 11 . 1 1 36 36 ASN C C 36 172.000 172.000 172.895 -0.895 25449 5290 1 11 . 1 1 36 36 ASN CA C 36 53.500 53.500 53.072 0.428 25449 5291 1 11 . 1 1 36 36 ASN CB C 36 42.600 42.600 40.595 2.005 25449 5292 1 11 . 1 1 36 36 ASN H H 36 7.620 7.620 8.007 -0.387 25449 5293 1 11 . 1 1 37 37 ILE N N 37 122.700 122.700 120.577 2.123 25449 5294 1 11 . 1 1 37 37 ILE HA H 37 4.770 4.770 4.292 0.478 25449 5295 1 11 . 1 1 37 37 ILE C C 37 173.300 173.300 174.213 -0.913 25449 5296 1 11 . 1 1 37 37 ILE CA C 37 60.600 60.600 61.922 -1.321 25449 5297 1 11 . 1 1 37 37 ILE CB C 37 41.200 41.200 41.664 -0.464 25449 5298 1 11 . 1 1 37 37 ILE H H 37 8.030 8.030 8.488 -0.458 25449 5299 1 11 . 1 1 38 38 GLU N N 38 126.700 126.700 129.296 -2.596 25449 5300 1 11 . 1 1 38 38 GLU HA H 38 4.660 4.660 4.701 -0.041 25449 5301 1 11 . 1 1 38 38 GLU C C 38 174.800 174.800 174.261 0.539 25449 5302 1 11 . 1 1 38 38 GLU CA C 38 54.400 54.400 55.695 -1.295 25449 5303 1 11 . 1 1 38 38 GLU CB C 38 33.400 33.400 31.442 1.958 25449 5304 1 11 . 1 1 38 38 GLU H H 38 8.870 8.870 8.522 0.348 25449 5305 1 11 . 1 1 39 39 VAL N N 39 126.400 126.400 126.225 0.175 25449 5306 1 11 . 1 1 39 39 VAL CA C 39 58.700 58.700 57.848 0.852 25449 5307 1 11 . 1 1 39 39 VAL CB C 39 32.600 32.600 33.636 -1.036 25449 5308 1 11 . 1 1 39 39 VAL H H 39 8.970 8.970 8.294 0.676 25449 5309 1 11 . 1 1 40 40 PRO HA H 40 4.230 4.230 4.502 -0.272 25449 5310 1 11 . 1 1 40 40 PRO C C 40 176.300 176.300 175.228 1.072 25449 5311 1 11 . 1 1 40 40 PRO CA C 40 63.300 63.300 62.641 0.659 25449 5312 1 11 . 1 1 40 40 PRO CB C 40 32.500 32.500 32.385 0.115 25449 5313 1 11 . 1 1 41 41 LEU N N 41 120.700 120.700 122.077 -1.377 25449 5314 1 11 . 1 1 41 41 LEU HA H 41 4.520 4.520 4.735 -0.215 25449 5315 1 11 . 1 1 41 41 LEU C C 41 177.900 177.900 175.975 1.925 25449 5316 1 11 . 1 1 41 41 LEU CA C 41 53.100 53.100 53.646 -0.546 25449 5317 1 11 . 1 1 41 41 LEU CB C 41 44.300 44.300 45.812 -1.512 25449 5318 1 11 . 1 1 41 41 LEU H H 41 8.520 8.520 8.165 0.355 25449 5319 1 11 . 1 1 42 42 ASN N N 42 121.400 121.400 121.498 -0.098 25449 5320 1 11 . 1 1 42 42 ASN HA H 42 4.560 4.560 4.971 -0.411 25449 5321 1 11 . 1 1 42 42 ASN C C 42 176.700 176.700 176.179 0.521 25449 5322 1 11 . 1 1 42 42 ASN CA C 42 52.900 52.900 52.260 0.640 25449 5323 1 11 . 1 1 42 42 ASN CB C 42 39.000 39.000 40.736 -1.736 25449 5324 1 11 . 1 1 42 42 ASN H H 42 8.740 8.740 8.417 0.323 25449 5325 1 11 . 1 1 43 43 MET N N 43 125.500 125.500 122.469 3.031 25449 5326 1 11 . 1 1 43 43 MET HA H 43 4.210 4.210 4.439 -0.229 25449 5327 1 11 . 1 1 43 43 MET C C 43 177.200 177.200 176.290 0.910 25449 5328 1 11 . 1 1 43 43 MET CA C 43 57.100 57.100 57.420 -0.321 25449 5329 1 11 . 1 1 43 43 MET CB C 43 31.600 31.600 32.794 -1.194 25449 5330 1 11 . 1 1 43 43 MET H H 43 9.080 9.080 8.793 0.287 25449 5331 1 11 . 1 1 44 44 THR N N 44 114.400 114.400 113.331 1.069 25449 5332 1 11 . 1 1 44 44 THR HA H 44 4.160 4.160 4.330 -0.170 25449 5333 1 11 . 1 1 44 44 THR C C 44 175.900 175.900 175.616 0.284 25449 5334 1 11 . 1 1 44 44 THR CA C 44 65.200 65.200 64.505 0.695 25449 5335 1 11 . 1 1 44 44 THR CB C 44 68.700 68.700 69.099 -0.399 25449 5336 1 11 . 1 1 44 44 THR H H 44 8.590 8.590 7.881 0.709 25449 5337 1 11 . 1 1 45 45 THR N N 45 110.300 110.300 113.898 -3.598 25449 5338 1 11 . 1 1 45 45 THR HA H 45 4.160 4.160 4.428 -0.268 25449 5339 1 11 . 1 1 45 45 THR C C 45 175.500 175.500 173.828 1.672 25449 5340 1 11 . 1 1 45 45 THR CA C 45 62.000 62.000 61.484 0.516 25449 5341 1 11 . 1 1 45 45 THR CB C 45 70.000 70.000 69.475 0.525 25449 5342 1 11 . 1 1 45 45 THR H H 45 7.610 7.610 7.745 -0.135 25449 5343 1 11 . 1 1 46 46 LYS N N 46 115.700 115.700 120.341 -4.641 25449 5344 1 11 . 1 1 46 46 LYS HA H 46 3.720 3.720 3.877 -0.157 25449 5345 1 11 . 1 1 46 46 LYS C C 46 174.600 174.600 174.675 -0.075 25449 5346 1 11 . 1 1 46 46 LYS CA C 46 57.600 57.600 57.395 0.205 25449 5347 1 11 . 1 1 46 46 LYS CB C 46 28.900 28.900 30.809 -1.909 25449 5348 1 11 . 1 1 46 46 LYS H H 46 8.460 8.460 7.923 0.537 25449 5349 1 11 . 1 1 47 47 LYS N N 47 117.100 117.100 116.482 0.618 25449 5350 1 11 . 1 1 47 47 LYS HA H 47 4.680 4.680 4.171 0.509 25449 5351 1 11 . 1 1 47 47 LYS C C 47 176.300 176.300 177.264 -0.964 25449 5352 1 11 . 1 1 47 47 LYS CA C 47 54.000 54.000 56.336 -2.336 25449 5353 1 11 . 1 1 47 47 LYS CB C 47 35.100 35.100 32.605 2.495 25449 5354 1 11 . 1 1 47 47 LYS H H 47 7.610 7.610 7.978 -0.368 25449 5355 1 11 . 1 1 48 48 ASN N N 48 117.700 117.700 119.558 -1.858 25449 5356 1 11 . 1 1 48 48 ASN HA H 48 4.700 4.700 4.773 -0.073 25449 5357 1 11 . 1 1 48 48 ASN C C 48 174.000 174.000 175.359 -1.359 25449 5358 1 11 . 1 1 48 48 ASN CA C 48 53.600 53.600 52.365 1.235 25449 5359 1 11 . 1 1 48 48 ASN CB C 48 37.700 37.700 38.798 -1.098 25449 5360 1 11 . 1 1 48 48 ASN H H 48 8.740 8.740 8.813 -0.073 25449 5361 1 11 . 1 1 49 49 ARG N N 49 116.800 116.800 116.826 -0.026 25449 5362 1 11 . 1 1 49 49 ARG HA H 49 4.350 4.350 4.095 0.255 25449 5363 1 11 . 1 1 49 49 ARG C C 49 177.500 177.500 176.262 1.238 25449 5364 1 11 . 1 1 49 49 ARG CA C 49 55.600 55.600 56.599 -1.000 25449 5365 1 11 . 1 1 49 49 ARG CB C 49 31.600 31.600 27.324 4.276 25449 5366 1 11 . 1 1 49 49 ARG H H 49 8.530 8.530 8.050 0.480 25449 5367 1 11 . 1 1 50 50 GLY N N 50 108.300 108.300 104.691 3.609 25449 5368 1 11 . 1 1 50 50 GLY C C 50 173.500 173.500 173.221 0.279 25449 5369 1 11 . 1 1 50 50 GLY CA C 50 45.800 45.800 45.424 0.376 25449 5370 1 11 . 1 1 50 50 GLY H H 50 8.900 8.900 8.809 0.091 25449 5371 1 11 . 1 1 51 51 PHE N N 51 113.900 113.900 116.481 -2.581 25449 5372 1 11 . 1 1 51 51 PHE HA H 51 5.470 5.470 4.741 0.729 25449 5373 1 11 . 1 1 51 51 PHE C C 51 172.000 172.000 172.300 -0.300 25449 5374 1 11 . 1 1 51 51 PHE CA C 51 55.000 55.000 56.134 -1.134 25449 5375 1 11 . 1 1 51 51 PHE CB C 51 42.700 42.700 41.178 1.522 25449 5376 1 11 . 1 1 51 51 PHE H H 51 6.910 6.910 7.381 -0.471 25449 5377 1 11 . 1 1 52 52 ALA N N 52 120.500 120.500 125.764 -5.264 25449 5378 1 11 . 1 1 52 52 ALA HA H 52 4.630 4.630 4.333 0.296 25449 5379 1 11 . 1 1 52 52 ALA C C 52 173.900 173.900 174.467 -0.567 25449 5380 1 11 . 1 1 52 52 ALA CA C 52 50.200 50.200 50.714 -0.514 25449 5381 1 11 . 1 1 52 52 ALA CB C 52 25.100 25.100 21.837 3.263 25449 5382 1 11 . 1 1 52 52 ALA H H 52 8.810 8.810 7.336 1.474 25449 5383 1 11 . 1 1 53 53 PHE N N 53 115.000 115.000 118.687 -3.687 25449 5384 1 11 . 1 1 53 53 PHE HA H 53 5.660 5.660 4.774 0.886 25449 5385 1 11 . 1 1 53 53 PHE C C 53 175.600 175.600 174.958 0.642 25449 5386 1 11 . 1 1 53 53 PHE CA C 53 56.200 56.200 57.390 -1.190 25449 5387 1 11 . 1 1 53 53 PHE CB C 53 42.400 42.400 42.252 0.148 25449 5388 1 11 . 1 1 53 53 PHE H H 53 8.730 8.730 8.693 0.037 25449 5389 1 11 . 1 1 54 54 VAL N N 54 122.300 122.300 121.913 0.387 25449 5390 1 11 . 1 1 54 54 VAL HA H 54 4.100 4.100 4.256 -0.156 25449 5391 1 11 . 1 1 54 54 VAL C C 54 173.000 173.000 174.126 -1.126 25449 5392 1 11 . 1 1 54 54 VAL CA C 54 61.700 61.700 61.596 0.104 25449 5393 1 11 . 1 1 54 54 VAL CB C 54 34.400 34.400 34.587 -0.187 25449 5394 1 11 . 1 1 54 54 VAL H H 54 9.060 9.060 8.470 0.590 25449 5395 1 11 . 1 1 55 55 GLU N N 55 127.300 127.300 126.290 1.010 25449 5396 1 11 . 1 1 55 55 GLU HA H 55 5.160 5.160 4.814 0.346 25449 5397 1 11 . 1 1 55 55 GLU C C 55 175.900 175.900 175.687 0.213 25449 5398 1 11 . 1 1 55 55 GLU CA C 55 54.000 54.000 54.763 -0.763 25449 5399 1 11 . 1 1 55 55 GLU CB C 55 31.700 31.700 32.042 -0.342 25449 5400 1 11 . 1 1 55 55 GLU H H 55 8.860 8.860 8.182 0.678 25449 5401 1 11 . 1 1 56 56 TYR N N 56 127.500 127.500 122.850 4.650 25449 5402 1 11 . 1 1 56 56 TYR HA H 56 4.520 4.520 4.498 0.022 25449 5403 1 11 . 1 1 56 56 TYR C C 56 175.000 175.000 175.877 -0.877 25449 5404 1 11 . 1 1 56 56 TYR CA C 56 59.700 59.700 59.220 0.480 25449 5405 1 11 . 1 1 56 56 TYR CB C 56 40.200 40.200 40.878 -0.678 25449 5406 1 11 . 1 1 56 56 TYR H H 56 9.470 9.470 7.940 1.530 25449 5407 1 11 . 1 1 57 57 VAL N N 57 119.200 119.200 118.813 0.387 25449 5408 1 11 . 1 1 57 57 VAL HA H 57 3.570 3.570 4.015 -0.445 25449 5409 1 11 . 1 1 57 57 VAL C C 57 177.000 177.000 175.429 1.571 25449 5410 1 11 . 1 1 57 57 VAL CA C 57 66.300 66.300 63.885 2.415 25449 5411 1 11 . 1 1 57 57 VAL CB C 57 32.000 32.000 32.540 -0.540 25449 5412 1 11 . 1 1 57 57 VAL H H 57 7.800 7.800 8.103 -0.303 25449 5413 1 11 . 1 1 58 58 GLU N N 58 118.500 118.500 119.190 -0.690 25449 5414 1 11 . 1 1 58 58 GLU HA H 58 4.780 4.780 4.600 0.180 25449 5415 1 11 . 1 1 58 58 GLU C C 58 177.500 177.500 176.388 1.112 25449 5416 1 11 . 1 1 58 58 GLU CA C 58 53.800 53.800 55.072 -1.272 25449 5417 1 11 . 1 1 58 58 GLU CB C 58 30.500 30.500 30.823 -0.323 25449 5418 1 11 . 1 1 58 58 GLU H H 58 9.530 9.530 8.063 1.467 25449 5419 1 11 . 1 1 59 59 VAL N N 59 125.200 125.200 124.656 0.544 25449 5420 1 11 . 1 1 59 59 VAL HA H 59 3.530 3.530 3.866 -0.336 25449 5421 1 11 . 1 1 59 59 VAL C C 59 177.600 177.600 177.039 0.561 25449 5422 1 11 . 1 1 59 59 VAL CA C 59 66.100 66.100 65.134 0.966 25449 5423 1 11 . 1 1 59 59 VAL CB C 59 31.700 31.700 32.231 -0.531 25449 5424 1 11 . 1 1 59 59 VAL H H 59 8.650 8.650 8.671 -0.021 25449 5425 1 11 . 1 1 60 60 ASP N N 60 118.500 118.500 119.610 -1.110 25449 5426 1 11 . 1 1 60 60 ASP HA H 60 4.220 4.220 4.484 -0.264 25449 5427 1 11 . 1 1 60 60 ASP C C 60 178.300 178.300 177.790 0.510 25449 5428 1 11 . 1 1 60 60 ASP CA C 60 57.600 57.600 57.643 -0.043 25449 5429 1 11 . 1 1 60 60 ASP CB C 60 40.500 40.500 40.349 0.152 25449 5430 1 11 . 1 1 60 60 ASP H H 60 8.970 8.970 8.591 0.379 25449 5431 1 11 . 1 1 61 61 ASP N N 61 119.900 119.900 120.131 -0.231 25449 5432 1 11 . 1 1 61 61 ASP HA H 61 4.360 4.360 4.407 -0.047 25449 5433 1 11 . 1 1 61 61 ASP C C 61 176.800 176.800 178.426 -1.626 25449 5434 1 11 . 1 1 61 61 ASP CA C 61 56.900 56.900 57.529 -0.629 25449 5435 1 11 . 1 1 61 61 ASP CB C 61 39.800 39.800 40.470 -0.670 25449 5436 1 11 . 1 1 61 61 ASP H H 61 6.920 6.920 8.578 -1.658 25449 5437 1 11 . 1 1 62 62 ALA N N 62 122.700 122.700 122.864 -0.164 25449 5438 1 11 . 1 1 62 62 ALA HA H 62 3.380 3.380 3.144 0.236 25449 5439 1 11 . 1 1 62 62 ALA C C 62 171.600 171.600 179.135 -7.535 25449 5440 1 11 . 1 1 62 62 ALA CA C 62 55.100 55.100 55.150 -0.050 25449 5441 1 11 . 1 1 62 62 ALA CB C 62 18.200 18.200 18.364 -0.164 25449 5442 1 11 . 1 1 62 62 ALA H H 62 6.910 6.910 7.936 -1.026 25449 5443 1 11 . 1 1 63 63 LYS N N 63 116.200 116.200 117.865 -1.665 25449 5444 1 11 . 1 1 63 63 LYS HA H 63 4.190 4.190 3.863 0.327 25449 5445 1 11 . 1 1 63 63 LYS C C 63 179.200 179.200 179.187 0.013 25449 5446 1 11 . 1 1 63 63 LYS CA C 63 59.300 59.300 59.598 -0.298 25449 5447 1 11 . 1 1 63 63 LYS CB C 63 32.600 32.600 32.283 0.317 25449 5448 1 11 . 1 1 63 63 LYS H H 63 8.020 8.020 7.409 0.611 25449 5449 1 11 . 1 1 64 64 HIS N N 64 117.400 117.400 117.427 -0.027 25449 5450 1 11 . 1 1 64 64 HIS HA H 64 4.310 4.310 4.296 0.014 25449 5451 1 11 . 1 1 64 64 HIS CA C 64 58.000 58.000 58.724 -0.724 25449 5452 1 11 . 1 1 64 64 HIS CB C 64 29.100 29.100 29.832 -0.732 25449 5453 1 11 . 1 1 64 64 HIS H H 64 7.460 7.460 7.633 -0.173 25449 5454 1 11 . 1 1 65 65 ALA N N 65 123.700 123.700 122.162 1.538 25449 5455 1 11 . 1 1 65 65 ALA HA H 65 2.170 2.170 3.828 -1.658 25449 5456 1 11 . 1 1 65 65 ALA C C 65 178.700 178.700 178.748 -0.048 25449 5457 1 11 . 1 1 65 65 ALA CA C 65 54.800 54.800 54.742 0.058 25449 5458 1 11 . 1 1 65 65 ALA CB C 65 19.400 19.400 18.277 1.123 25449 5459 1 11 . 1 1 65 65 ALA H H 65 8.190 8.190 7.756 0.434 25449 5460 1 11 . 1 1 66 66 LEU N N 66 119.800 119.800 117.704 2.096 25449 5461 1 11 . 1 1 66 66 LEU HA H 66 3.430 3.430 4.005 -0.575 25449 5462 1 11 . 1 1 66 66 LEU C C 66 178.700 178.700 178.762 -0.062 25449 5463 1 11 . 1 1 66 66 LEU CA C 66 59.700 59.700 57.500 2.200 25449 5464 1 11 . 1 1 66 66 LEU CB C 66 41.100 41.100 41.593 -0.493 25449 5465 1 11 . 1 1 66 66 LEU H H 66 8.340 8.340 7.317 1.023 25449 5466 1 11 . 1 1 67 67 TYR N N 67 116.200 116.200 119.944 -3.744 25449 5467 1 11 . 1 1 67 67 TYR HA H 67 4.010 4.010 4.100 -0.090 25449 5468 1 11 . 1 1 67 67 TYR C C 67 177.700 177.700 177.656 0.044 25449 5469 1 11 . 1 1 67 67 TYR CA C 67 60.500 60.500 62.147 -1.647 25449 5470 1 11 . 1 1 67 67 TYR CB C 67 38.100 38.100 38.505 -0.405 25449 5471 1 11 . 1 1 67 67 TYR H H 67 7.760 7.760 7.670 0.090 25449 5472 1 11 . 1 1 68 68 ASN N N 68 113.900 113.900 115.522 -1.622 25449 5473 1 11 . 1 1 68 68 ASN HA H 68 4.430 4.430 4.568 -0.138 25449 5474 1 11 . 1 1 68 68 ASN C C 68 176.400 176.400 175.887 0.513 25449 5475 1 11 . 1 1 68 68 ASN CA C 68 55.600 55.600 54.580 1.020 25449 5476 1 11 . 1 1 68 68 ASN CB C 68 41.400 41.400 38.569 2.831 25449 5477 1 11 . 1 1 68 68 ASN H H 68 7.480 7.480 7.781 -0.301 25449 5478 1 11 . 1 1 69 69 MET N N 69 114.900 114.900 115.779 -0.879 25449 5479 1 11 . 1 1 69 69 MET HA H 69 4.760 4.760 4.560 0.200 25449 5480 1 11 . 1 1 69 69 MET C C 69 177.000 177.000 176.835 0.165 25449 5481 1 11 . 1 1 69 69 MET CA C 69 53.500 53.500 54.035 -0.535 25449 5482 1 11 . 1 1 69 69 MET CB C 69 31.100 31.100 32.716 -1.616 25449 5483 1 11 . 1 1 69 69 MET H H 69 8.310 8.310 7.501 0.809 25449 5484 1 11 . 1 1 70 70 ASN N N 70 117.700 117.700 120.108 -2.408 25449 5485 1 11 . 1 1 70 70 ASN HA H 70 4.370 4.370 4.455 -0.085 25449 5486 1 11 . 1 1 70 70 ASN C C 70 176.400 176.400 175.566 0.834 25449 5487 1 11 . 1 1 70 70 ASN CA C 70 56.100 56.100 55.931 0.169 25449 5488 1 11 . 1 1 70 70 ASN CB C 70 38.700 38.700 37.445 1.255 25449 5489 1 11 . 1 1 70 70 ASN H H 70 7.660 7.660 8.059 -0.399 25449 5490 1 11 . 1 1 71 71 ASN N N 71 121.500 121.500 115.908 5.592 25449 5491 1 11 . 1 1 71 71 ASN HA H 71 4.510 4.510 4.657 -0.147 25449 5492 1 11 . 1 1 71 71 ASN C C 71 173.300 173.300 174.505 -1.205 25449 5493 1 11 . 1 1 71 71 ASN CA C 71 55.800 55.800 52.668 3.132 25449 5494 1 11 . 1 1 71 71 ASN CB C 71 38.200 38.200 38.451 -0.251 25449 5495 1 11 . 1 1 71 71 ASN H H 71 8.600 8.600 8.137 0.463 25449 5496 1 11 . 1 1 72 72 PHE N N 72 122.300 122.300 123.138 -0.838 25449 5497 1 11 . 1 1 72 72 PHE HA H 72 4.190 4.190 4.450 -0.260 25449 5498 1 11 . 1 1 72 72 PHE C C 72 174.100 174.100 174.341 -0.241 25449 5499 1 11 . 1 1 72 72 PHE CA C 72 58.700 58.700 57.682 1.018 25449 5500 1 11 . 1 1 72 72 PHE CB C 72 41.300 41.300 40.250 1.050 25449 5501 1 11 . 1 1 72 72 PHE H H 72 7.870 7.870 7.498 0.372 25449 5502 1 11 . 1 1 73 73 GLU N N 73 126.100 126.100 127.480 -1.380 25449 5503 1 11 . 1 1 73 73 GLU HA H 73 4.230 4.230 4.284 -0.054 25449 5504 1 11 . 1 1 73 73 GLU C C 73 173.000 173.000 174.341 -1.341 25449 5505 1 11 . 1 1 73 73 GLU CA C 73 55.600 55.600 54.193 1.407 25449 5506 1 11 . 1 1 73 73 GLU CB C 73 30.300 30.300 30.917 -0.617 25449 5507 1 11 . 1 1 73 73 GLU H H 73 7.690 7.690 8.215 -0.525 25449 5508 1 11 . 1 1 74 74 LEU N N 74 128.900 128.900 124.214 4.686 25449 5509 1 11 . 1 1 74 74 LEU HA H 74 4.520 4.520 4.275 0.245 25449 5510 1 11 . 1 1 74 74 LEU C C 74 175.500 175.500 175.766 -0.266 25449 5511 1 11 . 1 1 74 74 LEU CA C 74 53.300 53.300 54.626 -1.326 25449 5512 1 11 . 1 1 74 74 LEU CB C 74 44.600 44.600 43.070 1.530 25449 5513 1 11 . 1 1 74 74 LEU H H 74 8.620 8.620 8.333 0.287 25449 5514 1 11 . 1 1 75 75 ASN N N 75 126.800 126.800 122.015 4.785 25449 5515 1 11 . 1 1 75 75 ASN HA H 75 4.210 4.210 4.478 -0.268 25449 5516 1 11 . 1 1 75 75 ASN C C 75 175.600 175.600 175.720 -0.120 25449 5517 1 11 . 1 1 75 75 ASN CA C 75 53.900 53.900 53.578 0.322 25449 5518 1 11 . 1 1 75 75 ASN CB C 75 36.900 36.900 37.578 -0.678 25449 5519 1 11 . 1 1 75 75 ASN H H 75 9.520 9.520 8.893 0.627 25449 5520 1 11 . 1 1 76 76 GLY N N 76 102.300 102.300 101.092 1.208 25449 5521 1 11 . 1 1 76 76 GLY C C 76 173.600 173.600 173.324 0.276 25449 5522 1 11 . 1 1 76 76 GLY CA C 76 45.300 45.300 45.176 0.124 25449 5523 1 11 . 1 1 76 76 GLY H H 76 8.500 8.500 8.461 0.039 25449 5524 1 11 . 1 1 77 77 LYS N N 77 120.800 120.800 118.461 2.339 25449 5525 1 11 . 1 1 77 77 LYS HA H 77 4.570 4.570 4.527 0.043 25449 5526 1 11 . 1 1 77 77 LYS C C 77 175.100 175.100 174.536 0.564 25449 5527 1 11 . 1 1 77 77 LYS CA C 77 54.200 54.200 54.325 -0.125 25449 5528 1 11 . 1 1 77 77 LYS CB C 77 34.500 34.500 34.643 -0.143 25449 5529 1 11 . 1 1 77 77 LYS H H 77 7.580 7.580 7.356 0.224 25449 5530 1 11 . 1 1 78 78 ARG N N 78 123.300 123.300 124.491 -1.191 25449 5531 1 11 . 1 1 78 78 ARG HA H 78 4.480 4.480 4.555 -0.075 25449 5532 1 11 . 1 1 78 78 ARG C C 78 176.600 176.600 175.694 0.906 25449 5533 1 11 . 1 1 78 78 ARG CA C 78 55.300 55.300 54.446 0.854 25449 5534 1 11 . 1 1 78 78 ARG CB C 78 30.300 30.300 30.602 -0.303 25449 5535 1 11 . 1 1 78 78 ARG H H 78 8.580 8.580 8.486 0.094 25449 5536 1 11 . 1 1 79 79 ILE N N 79 120.100 120.100 124.016 -3.916 25449 5537 1 11 . 1 1 79 79 ILE HA H 79 4.700 4.700 4.471 0.229 25449 5538 1 11 . 1 1 79 79 ILE C C 79 175.200 175.200 175.690 -0.490 25449 5539 1 11 . 1 1 79 79 ILE CA C 79 60.000 60.000 60.488 -0.488 25449 5540 1 11 . 1 1 79 79 ILE CB C 79 39.400 39.400 38.491 0.909 25449 5541 1 11 . 1 1 79 79 ILE H H 79 8.450 8.450 8.438 0.012 25449 5542 1 11 . 1 1 80 80 HIS N N 80 119.900 119.900 122.547 -2.647 25449 5543 1 11 . 1 1 80 80 HIS HA H 80 5.190 5.190 4.857 0.333 25449 5544 1 11 . 1 1 80 80 HIS C C 80 173.600 173.600 173.936 -0.336 25449 5545 1 11 . 1 1 80 80 HIS CA C 80 53.800 53.800 54.762 -0.962 25449 5546 1 11 . 1 1 80 80 HIS CB C 80 31.300 31.300 30.200 1.100 25449 5547 1 11 . 1 1 80 80 HIS H H 80 8.580 8.580 7.729 0.851 25449 5548 1 11 . 1 1 81 81 VAL N N 81 123.800 123.800 125.964 -2.164 25449 5549 1 11 . 1 1 81 81 VAL HA H 81 5.280 5.280 4.821 0.459 25449 5550 1 11 . 1 1 81 81 VAL C C 81 173.600 173.600 175.248 -1.648 25449 5551 1 11 . 1 1 81 81 VAL CA C 81 60.200 60.200 61.015 -0.815 25449 5552 1 11 . 1 1 81 81 VAL CB C 81 35.000 35.000 33.144 1.856 25449 5553 1 11 . 1 1 81 81 VAL H H 81 8.650 8.650 8.496 0.154 25449 5554 1 11 . 1 1 82 82 ASN N N 82 121.100 121.100 124.013 -2.913 25449 5555 1 11 . 1 1 82 82 ASN HA H 82 4.750 4.750 5.120 -0.370 25449 5556 1 11 . 1 1 82 82 ASN C C 82 174.000 174.000 173.467 0.533 25449 5557 1 11 . 1 1 82 82 ASN CA C 82 51.900 51.900 51.762 0.138 25449 5558 1 11 . 1 1 82 82 ASN CB C 82 42.900 42.900 40.791 2.108 25449 5559 1 11 . 1 1 82 82 ASN H H 82 8.890 8.890 8.229 0.661 25449 5560 1 11 . 1 1 83 83 TYR N N 83 120.400 120.400 118.576 1.824 25449 5561 1 11 . 1 1 83 83 TYR HA H 83 4.800 4.800 4.772 0.028 25449 5562 1 11 . 1 1 83 83 TYR C C 83 177.100 177.100 176.145 0.955 25449 5563 1 11 . 1 1 83 83 TYR CA C 83 59.400 59.400 58.972 0.428 25449 5564 1 11 . 1 1 83 83 TYR CB C 83 38.700 38.700 40.345 -1.645 25449 5565 1 11 . 1 1 83 83 TYR H H 83 8.480 8.480 7.877 0.603 25449 5566 1 11 . 1 1 84 84 SER N N 84 118.000 118.000 116.680 1.320 25449 5567 1 11 . 1 1 84 84 SER HA H 84 4.520 4.520 4.630 -0.110 25449 5568 1 11 . 1 1 84 84 SER C C 84 174.100 174.100 172.633 1.467 25449 5569 1 11 . 1 1 84 84 SER CA C 84 57.700 57.700 57.699 0.001 25449 5570 1 11 . 1 1 84 84 SER CB C 84 64.300 64.300 65.816 -1.516 25449 5571 1 11 . 1 1 84 84 SER H H 84 9.040 9.040 8.750 0.290 25449 5572 1 11 . 1 1 85 85 LYS N N 85 125.300 125.300 122.819 2.481 25449 5573 1 11 . 1 1 85 85 LYS HA H 85 4.440 4.440 4.685 -0.245 25449 5574 1 11 . 1 1 85 85 LYS C C 85 175.600 175.600 175.555 0.045 25449 5575 1 11 . 1 1 85 85 LYS CA C 85 56.300 56.300 55.461 0.839 25449 5576 1 11 . 1 1 85 85 LYS CB C 85 33.700 33.700 34.331 -0.631 25449 5577 1 11 . 1 1 85 85 LYS H H 85 8.410 8.410 8.310 0.100 25449 5578 1 12 . 1 1 -1 -1 SER N N -1 115.600 115.600 115.438 0.162 25449 5579 1 12 . 1 1 -1 -1 SER HA H -1 4.410 4.410 4.441 -0.031 25449 5580 1 12 . 1 1 -1 -1 SER C C -1 172.000 172.000 173.597 -1.597 25449 5581 1 12 . 1 1 -1 -1 SER CA C -1 58.200 58.200 58.954 -0.754 25449 5582 1 12 . 1 1 -1 -1 SER CB C -1 63.900 63.900 64.033 -0.133 25449 5583 1 12 . 1 1 -1 -1 SER H H -1 8.670 8.670 8.834 -0.164 25449 5584 1 12 . 1 1 0 0 HIS N N 0 121.200 121.200 121.727 -0.527 25449 5585 1 12 . 1 1 0 0 HIS HA H 0 4.590 4.590 4.729 -0.139 25449 5586 1 12 . 1 1 0 0 HIS C C 0 174.800 174.800 173.871 0.929 25449 5587 1 12 . 1 1 0 0 HIS CA C 0 56.100 56.100 56.346 -0.246 25449 5588 1 12 . 1 1 0 0 HIS CB C 0 29.900 29.900 30.960 -1.060 25449 5589 1 12 . 1 1 0 0 HIS H H 0 8.730 8.730 8.372 0.358 25449 5590 1 12 . 1 1 1 1 MET N N 1 121.800 121.800 123.934 -2.134 25449 5591 1 12 . 1 1 1 1 MET HA H 1 4.370 4.370 4.713 -0.343 25449 5592 1 12 . 1 1 1 1 MET C C 1 176.300 176.300 175.618 0.682 25449 5593 1 12 . 1 1 1 1 MET CA C 1 55.700 55.700 54.121 1.579 25449 5594 1 12 . 1 1 1 1 MET CB C 1 32.800 32.800 32.494 0.306 25449 5595 1 12 . 1 1 1 1 MET H H 1 8.450 8.450 8.484 -0.034 25449 5596 1 12 . 1 1 2 2 SER N N 2 116.700 116.700 114.385 2.315 25449 5597 1 12 . 1 1 2 2 SER HA H 2 4.370 4.370 4.290 0.080 25449 5598 1 12 . 1 1 2 2 SER C C 2 174.200 174.200 174.303 -0.103 25449 5599 1 12 . 1 1 2 2 SER CA C 2 58.400 58.400 59.170 -0.770 25449 5600 1 12 . 1 1 2 2 SER CB C 2 63.800 63.800 64.113 -0.313 25449 5601 1 12 . 1 1 2 2 SER H H 2 8.410 8.410 8.194 0.216 25449 5602 1 12 . 1 1 3 3 ASP N N 3 122.100 122.100 126.090 -3.990 25449 5603 1 12 . 1 1 3 3 ASP HA H 3 4.550 4.550 4.538 0.012 25449 5604 1 12 . 1 1 3 3 ASP C C 3 176.100 176.100 176.004 0.096 25449 5605 1 12 . 1 1 3 3 ASP CA C 3 54.500 54.500 56.414 -1.914 25449 5606 1 12 . 1 1 3 3 ASP CB C 3 41.200 41.200 41.663 -0.463 25449 5607 1 12 . 1 1 3 3 ASP H H 3 8.340 8.340 9.114 -0.774 25449 5608 1 12 . 1 1 4 4 ASN N N 4 119.100 119.100 113.000 6.100 25449 5609 1 12 . 1 1 4 4 ASN HA H 4 4.580 4.580 4.795 -0.215 25449 5610 1 12 . 1 1 4 4 ASN C C 4 174.900 174.900 175.523 -0.623 25449 5611 1 12 . 1 1 4 4 ASN CA C 4 53.700 53.700 52.319 1.381 25449 5612 1 12 . 1 1 4 4 ASN CB C 4 38.900 38.900 39.042 -0.142 25449 5613 1 12 . 1 1 4 4 ASN H H 4 8.420 8.420 7.549 0.871 25449 5614 1 12 . 1 1 5 5 ASN N N 5 118.400 118.400 118.348 0.052 25449 5615 1 12 . 1 1 5 5 ASN HA H 5 4.540 4.540 4.343 0.197 25449 5616 1 12 . 1 1 5 5 ASN C C 5 173.900 173.900 174.924 -1.024 25449 5617 1 12 . 1 1 5 5 ASN CA C 5 53.200 53.200 54.841 -1.641 25449 5618 1 12 . 1 1 5 5 ASN CB C 5 38.700 38.700 38.379 0.321 25449 5619 1 12 . 1 1 5 5 ASN H H 5 8.340 8.340 8.558 -0.218 25449 5620 1 12 . 1 1 6 6 ALA N N 6 122.100 122.100 119.855 2.245 25449 5621 1 12 . 1 1 6 6 ALA HA H 6 2.740 2.740 3.715 -0.975 25449 5622 1 12 . 1 1 6 6 ALA C C 6 177.000 177.000 176.015 0.985 25449 5623 1 12 . 1 1 6 6 ALA CA C 6 52.300 52.300 52.450 -0.150 25449 5624 1 12 . 1 1 6 6 ALA CB C 6 20.000 20.000 18.109 1.891 25449 5625 1 12 . 1 1 6 6 ALA H H 6 7.590 7.590 7.310 0.280 25449 5626 1 12 . 1 1 7 7 THR N N 7 112.700 112.700 117.457 -4.757 25449 5627 1 12 . 1 1 7 7 THR HA H 7 4.390 4.390 4.382 0.008 25449 5628 1 12 . 1 1 7 7 THR C C 7 171.700 171.700 175.131 -3.431 25449 5629 1 12 . 1 1 7 7 THR CA C 7 59.800 59.800 61.201 -1.401 25449 5630 1 12 . 1 1 7 7 THR CB C 7 70.600 70.600 70.121 0.479 25449 5631 1 12 . 1 1 7 7 THR H H 7 6.840 6.840 8.097 -1.256 25449 5632 1 12 . 1 1 8 8 ASP N N 8 114.600 114.600 122.287 -7.687 25449 5633 1 12 . 1 1 8 8 ASP HA H 8 4.490 4.490 4.315 0.175 25449 5634 1 12 . 1 1 8 8 ASP C C 8 174.300 174.300 174.231 0.069 25449 5635 1 12 . 1 1 8 8 ASP CA C 8 53.500 53.500 55.796 -2.296 25449 5636 1 12 . 1 1 8 8 ASP CB C 8 39.800 39.800 40.098 -0.298 25449 5637 1 12 . 1 1 8 8 ASP H H 8 8.170 8.170 8.780 -0.610 25449 5638 1 12 . 1 1 9 9 ILE N N 9 117.800 117.800 118.845 -1.045 25449 5639 1 12 . 1 1 9 9 ILE HA H 9 4.810 4.810 5.027 -0.217 25449 5640 1 12 . 1 1 9 9 ILE C C 9 174.700 174.700 174.330 0.370 25449 5641 1 12 . 1 1 9 9 ILE CA C 9 60.600 60.600 60.392 0.208 25449 5642 1 12 . 1 1 9 9 ILE CB C 9 40.300 40.300 40.487 -0.187 25449 5643 1 12 . 1 1 9 9 ILE H H 9 7.890 7.890 7.560 0.330 25449 5644 1 12 . 1 1 10 10 LEU N N 10 125.300 125.300 127.712 -2.412 25449 5645 1 12 . 1 1 10 10 LEU HA H 10 4.960 4.960 4.802 0.158 25449 5646 1 12 . 1 1 10 10 LEU C C 10 176.100 176.100 175.163 0.937 25449 5647 1 12 . 1 1 10 10 LEU CA C 10 52.900 52.900 54.191 -1.291 25449 5648 1 12 . 1 1 10 10 LEU CB C 10 43.100 43.100 43.966 -0.866 25449 5649 1 12 . 1 1 10 10 LEU H H 10 9.370 9.370 8.181 1.189 25449 5650 1 12 . 1 1 11 11 PHE N N 11 124.300 124.300 127.431 -3.131 25449 5651 1 12 . 1 1 11 11 PHE HA H 11 4.670 4.670 4.644 0.026 25449 5652 1 12 . 1 1 11 11 PHE C C 11 173.400 173.400 173.735 -0.335 25449 5653 1 12 . 1 1 11 11 PHE CA C 11 57.000 57.000 56.745 0.255 25449 5654 1 12 . 1 1 11 11 PHE CB C 11 40.700 40.700 39.748 0.952 25449 5655 1 12 . 1 1 11 11 PHE H H 11 9.310 9.310 8.403 0.907 25449 5656 1 12 . 1 1 12 12 VAL N N 12 128.300 128.300 125.263 3.037 25449 5657 1 12 . 1 1 12 12 VAL HA H 12 4.420 4.420 5.057 -0.637 25449 5658 1 12 . 1 1 12 12 VAL C C 12 173.900 173.900 175.176 -1.276 25449 5659 1 12 . 1 1 12 12 VAL CA C 12 60.200 60.200 59.288 0.912 25449 5660 1 12 . 1 1 12 12 VAL CB C 12 33.100 33.100 32.645 0.455 25449 5661 1 12 . 1 1 12 12 VAL H H 12 8.380 8.380 7.607 0.773 25449 5662 1 12 . 1 1 13 13 GLY N N 13 111.800 111.800 113.039 -1.239 25449 5663 1 12 . 1 1 13 13 GLY C C 13 173.800 173.800 173.065 0.735 25449 5664 1 12 . 1 1 13 13 GLY CA C 13 43.400 43.400 44.127 -0.727 25449 5665 1 12 . 1 1 13 13 GLY H H 13 9.150 9.150 7.845 1.305 25449 5666 1 12 . 1 1 14 14 GLY N N 14 107.600 107.600 106.430 1.170 25449 5667 1 12 . 1 1 14 14 GLY C C 14 175.400 175.400 173.603 1.797 25449 5668 1 12 . 1 1 14 14 GLY CA C 14 45.800 45.800 45.027 0.773 25449 5669 1 12 . 1 1 14 14 GLY H H 14 8.260 8.260 8.038 0.222 25449 5670 1 12 . 1 1 15 15 ILE N N 15 111.100 111.100 117.079 -5.979 25449 5671 1 12 . 1 1 15 15 ILE HA H 15 4.040 4.040 4.297 -0.257 25449 5672 1 12 . 1 1 15 15 ILE C C 15 175.500 175.500 175.137 0.363 25449 5673 1 12 . 1 1 15 15 ILE CA C 15 60.500 60.500 59.224 1.276 25449 5674 1 12 . 1 1 15 15 ILE CB C 15 38.500 38.500 39.681 -1.181 25449 5675 1 12 . 1 1 15 15 ILE H H 15 6.930 6.930 7.555 -0.625 25449 5676 1 12 . 1 1 16 16 ASP N N 16 122.800 122.800 121.672 1.128 25449 5677 1 12 . 1 1 16 16 ASP HA H 16 4.580 4.580 4.672 -0.092 25449 5678 1 12 . 1 1 16 16 ASP C C 16 177.200 177.200 177.130 0.070 25449 5679 1 12 . 1 1 16 16 ASP CA C 16 53.700 53.700 53.174 0.526 25449 5680 1 12 . 1 1 16 16 ASP CB C 16 42.500 42.500 43.113 -0.613 25449 5681 1 12 . 1 1 16 16 ASP H H 16 8.320 8.320 8.470 -0.150 25449 5682 1 12 . 1 1 17 17 GLU N N 17 119.600 119.600 120.691 -1.091 25449 5683 1 12 . 1 1 17 17 GLU HA H 17 4.140 4.140 4.150 -0.010 25449 5684 1 12 . 1 1 17 17 GLU C C 17 176.800 176.800 176.635 0.165 25449 5685 1 12 . 1 1 17 17 GLU CA C 17 58.600 58.600 57.500 1.100 25449 5686 1 12 . 1 1 17 17 GLU CB C 17 29.800 29.800 28.960 0.840 25449 5687 1 12 . 1 1 17 17 GLU H H 17 8.830 8.830 8.699 0.131 25449 5688 1 12 . 1 1 18 18 THR N N 18 111.300 111.300 114.459 -3.159 25449 5689 1 12 . 1 1 18 18 THR HA H 18 4.250 4.250 4.497 -0.247 25449 5690 1 12 . 1 1 18 18 THR C C 18 175.200 175.200 174.710 0.490 25449 5691 1 12 . 1 1 18 18 THR CA C 18 62.600 62.600 61.785 0.814 25449 5692 1 12 . 1 1 18 18 THR CB C 18 69.600 69.600 69.664 -0.064 25449 5693 1 12 . 1 1 18 18 THR H H 18 8.740 8.740 7.704 1.036 25449 5694 1 12 . 1 1 19 19 ILE N N 19 123.300 123.300 119.873 3.427 25449 5695 1 12 . 1 1 19 19 ILE HA H 19 3.880 3.880 4.343 -0.463 25449 5696 1 12 . 1 1 19 19 ILE C C 19 174.300 174.300 174.231 0.069 25449 5697 1 12 . 1 1 19 19 ILE CA C 19 59.900 59.900 58.685 1.215 25449 5698 1 12 . 1 1 19 19 ILE CB C 19 35.600 35.600 38.679 -3.079 25449 5699 1 12 . 1 1 19 19 ILE H H 19 7.220 7.220 7.478 -0.258 25449 5700 1 12 . 1 1 20 20 ASP N N 20 125.600 125.600 123.374 2.226 25449 5701 1 12 . 1 1 20 20 ASP HA H 20 4.640 4.640 4.802 -0.162 25449 5702 1 12 . 1 1 20 20 ASP C C 20 175.300 175.300 177.490 -2.190 25449 5703 1 12 . 1 1 20 20 ASP CA C 20 51.500 51.500 53.162 -1.662 25449 5704 1 12 . 1 1 20 20 ASP CB C 20 43.000 43.000 43.795 -0.795 25449 5705 1 12 . 1 1 20 20 ASP H H 20 7.790 7.790 8.440 -0.650 25449 5706 1 12 . 1 1 21 21 GLU N N 21 118.400 118.400 120.001 -1.601 25449 5707 1 12 . 1 1 21 21 GLU HA H 21 3.630 3.630 4.002 -0.372 25449 5708 1 12 . 1 1 21 21 GLU C C 21 177.900 177.900 178.136 -0.236 25449 5709 1 12 . 1 1 21 21 GLU CA C 21 60.900 60.900 60.104 0.796 25449 5710 1 12 . 1 1 21 21 GLU CB C 21 29.200 29.200 29.610 -0.410 25449 5711 1 12 . 1 1 21 21 GLU H H 21 9.220 9.220 8.814 0.406 25449 5712 1 12 . 1 1 22 22 LYS N N 22 119.700 119.700 117.358 2.342 25449 5713 1 12 . 1 1 22 22 LYS HA H 22 4.060 4.060 4.216 -0.156 25449 5714 1 12 . 1 1 22 22 LYS C C 22 178.500 178.500 178.644 -0.144 25449 5715 1 12 . 1 1 22 22 LYS CA C 22 59.300 59.300 58.972 0.328 25449 5716 1 12 . 1 1 22 22 LYS CB C 22 31.800 31.800 31.523 0.277 25449 5717 1 12 . 1 1 22 22 LYS H H 22 8.040 8.040 8.484 -0.444 25449 5718 1 12 . 1 1 23 23 SER N N 23 114.900 114.900 115.935 -1.035 25449 5719 1 12 . 1 1 23 23 SER HA H 23 4.300 4.300 4.336 -0.036 25449 5720 1 12 . 1 1 23 23 SER C C 23 177.600 177.600 176.095 1.505 25449 5721 1 12 . 1 1 23 23 SER CA C 23 61.800 61.800 61.329 0.471 25449 5722 1 12 . 1 1 23 23 SER CB C 23 62.900 62.900 62.444 0.456 25449 5723 1 12 . 1 1 23 23 SER H H 23 8.240 8.240 8.434 -0.194 25449 5724 1 12 . 1 1 24 24 LEU N N 24 118.800 118.800 121.602 -2.802 25449 5725 1 12 . 1 1 24 24 LEU HA H 24 4.180 4.180 4.350 -0.170 25449 5726 1 12 . 1 1 24 24 LEU C C 24 178.700 178.700 178.685 0.015 25449 5727 1 12 . 1 1 24 24 LEU CA C 24 57.300 57.300 56.228 1.072 25449 5728 1 12 . 1 1 24 24 LEU CB C 24 42.100 42.100 41.680 0.420 25449 5729 1 12 . 1 1 24 24 LEU H H 24 7.750 7.750 7.406 0.344 25449 5730 1 12 . 1 1 25 25 TYR N N 25 123.200 123.200 121.441 1.759 25449 5731 1 12 . 1 1 25 25 TYR HA H 25 3.630 3.630 4.073 -0.443 25449 5732 1 12 . 1 1 25 25 TYR C C 25 178.600 178.600 177.106 1.494 25449 5733 1 12 . 1 1 25 25 TYR CA C 25 63.200 63.200 60.386 2.814 25449 5734 1 12 . 1 1 25 25 TYR CB C 25 38.200 38.200 38.509 -0.309 25449 5735 1 12 . 1 1 25 25 TYR H H 25 8.970 8.970 7.489 1.481 25449 5736 1 12 . 1 1 26 26 ASP N N 26 119.800 119.800 118.226 1.574 25449 5737 1 12 . 1 1 26 26 ASP HA H 26 4.270 4.270 4.540 -0.270 25449 5738 1 12 . 1 1 26 26 ASP C C 26 177.900 177.900 178.157 -0.257 25449 5739 1 12 . 1 1 26 26 ASP CA C 26 57.700 57.700 57.249 0.451 25449 5740 1 12 . 1 1 26 26 ASP CB C 26 40.000 40.000 41.307 -1.307 25449 5741 1 12 . 1 1 26 26 ASP H H 26 8.510 8.510 7.791 0.719 25449 5742 1 12 . 1 1 27 27 ILE N N 27 114.700 114.700 119.191 -4.491 25449 5743 1 12 . 1 1 27 27 ILE HA H 27 3.960 3.960 3.900 0.060 25449 5744 1 12 . 1 1 27 27 ILE C C 27 177.700 177.700 177.983 -0.283 25449 5745 1 12 . 1 1 27 27 ILE CA C 27 63.300 63.300 64.803 -1.503 25449 5746 1 12 . 1 1 27 27 ILE CB C 27 39.000 39.000 38.300 0.700 25449 5747 1 12 . 1 1 27 27 ILE H H 27 7.320 7.320 7.552 -0.232 25449 5748 1 12 . 1 1 28 28 PHE N N 28 116.900 116.900 116.842 0.058 25449 5749 1 12 . 1 1 28 28 PHE HA H 28 4.370 4.370 4.553 -0.183 25449 5750 1 12 . 1 1 28 28 PHE C C 28 179.900 179.900 176.985 2.915 25449 5751 1 12 . 1 1 28 28 PHE CA C 28 62.300 62.300 59.007 3.293 25449 5752 1 12 . 1 1 28 28 PHE CB C 28 37.300 37.300 38.475 -1.175 25449 5753 1 12 . 1 1 28 28 PHE H H 28 8.650 8.650 8.260 0.390 25449 5754 1 12 . 1 1 29 29 SER N N 29 120.100 120.100 112.505 7.595 25449 5755 1 12 . 1 1 29 29 SER HA H 29 4.410 4.410 4.729 -0.319 25449 5756 1 12 . 1 1 29 29 SER C C 29 175.600 175.600 175.362 0.238 25449 5757 1 12 . 1 1 29 29 SER CA C 29 61.300 61.300 59.260 2.040 25449 5758 1 12 . 1 1 29 29 SER CB C 29 62.200 62.200 63.186 -0.986 25449 5759 1 12 . 1 1 29 29 SER H H 29 8.880 8.880 7.757 1.123 25449 5760 1 12 . 1 1 30 30 SER N N 30 116.200 116.200 117.361 -1.161 25449 5761 1 12 . 1 1 30 30 SER HA H 30 3.940 3.940 4.323 -0.383 25449 5762 1 12 . 1 1 30 30 SER C C 30 174.900 174.900 175.565 -0.665 25449 5763 1 12 . 1 1 30 30 SER CA C 30 60.400 60.400 60.805 -0.405 25449 5764 1 12 . 1 1 30 30 SER CB C 30 62.400 62.400 63.294 -0.894 25449 5765 1 12 . 1 1 30 30 SER H H 30 7.270 7.270 7.927 -0.657 25449 5766 1 12 . 1 1 31 31 PHE N N 31 115.600 115.600 121.854 -6.254 25449 5767 1 12 . 1 1 31 31 PHE HA H 31 4.280 4.280 4.604 -0.324 25449 5768 1 12 . 1 1 31 31 PHE C C 31 174.100 174.100 176.233 -2.133 25449 5769 1 12 . 1 1 31 31 PHE CA C 31 58.900 58.900 58.864 0.036 25449 5770 1 12 . 1 1 31 31 PHE CB C 31 39.300 39.300 40.410 -1.110 25449 5771 1 12 . 1 1 31 31 PHE H H 31 6.980 6.980 7.878 -0.898 25449 5772 1 12 . 1 1 32 32 GLY N N 32 104.900 104.900 106.901 -2.001 25449 5773 1 12 . 1 1 32 32 GLY C C 32 171.600 171.600 172.500 -0.900 25449 5774 1 12 . 1 1 32 32 GLY CA C 32 44.300 44.300 44.308 -0.008 25449 5775 1 12 . 1 1 32 32 GLY H H 32 7.300 7.300 7.614 -0.314 25449 5776 1 12 . 1 1 33 33 ASP N N 33 116.100 116.100 126.082 -9.982 25449 5777 1 12 . 1 1 33 33 ASP HA H 33 4.510 4.510 4.483 0.027 25449 5778 1 12 . 1 1 33 33 ASP C C 33 176.800 176.800 174.528 2.272 25449 5779 1 12 . 1 1 33 33 ASP CA C 33 55.400 55.400 55.752 -0.352 25449 5780 1 12 . 1 1 33 33 ASP CB C 33 40.600 40.600 42.076 -1.476 25449 5781 1 12 . 1 1 33 33 ASP H H 33 8.120 8.120 8.339 -0.219 25449 5782 1 12 . 1 1 34 34 ILE N N 34 126.400 126.400 118.315 8.085 25449 5783 1 12 . 1 1 34 34 ILE HA H 34 3.850 3.850 4.158 -0.308 25449 5784 1 12 . 1 1 34 34 ILE C C 34 176.200 176.200 175.840 0.360 25449 5785 1 12 . 1 1 34 34 ILE CA C 34 60.200 60.200 58.160 2.039 25449 5786 1 12 . 1 1 34 34 ILE CB C 34 39.900 39.900 39.109 0.791 25449 5787 1 12 . 1 1 34 34 ILE H H 34 8.670 8.670 8.256 0.414 25449 5788 1 12 . 1 1 35 35 ARG N N 35 128.900 128.900 125.367 3.533 25449 5789 1 12 . 1 1 35 35 ARG HA H 35 4.160 4.160 4.154 0.006 25449 5790 1 12 . 1 1 35 35 ARG C C 35 175.600 175.600 176.541 -0.941 25449 5791 1 12 . 1 1 35 35 ARG CA C 35 57.500 57.500 58.281 -0.781 25449 5792 1 12 . 1 1 35 35 ARG CB C 35 31.700 31.700 31.182 0.518 25449 5793 1 12 . 1 1 35 35 ARG H H 35 9.320 9.320 8.440 0.880 25449 5794 1 12 . 1 1 36 36 ASN N N 36 114.300 114.300 114.181 0.119 25449 5795 1 12 . 1 1 36 36 ASN HA H 36 4.710 4.710 4.766 -0.056 25449 5796 1 12 . 1 1 36 36 ASN C C 36 172.000 172.000 172.838 -0.838 25449 5797 1 12 . 1 1 36 36 ASN CA C 36 53.500 53.500 53.079 0.421 25449 5798 1 12 . 1 1 36 36 ASN CB C 36 42.600 42.600 40.662 1.938 25449 5799 1 12 . 1 1 36 36 ASN H H 36 7.620 7.620 7.948 -0.328 25449 5800 1 12 . 1 1 37 37 ILE N N 37 122.700 122.700 121.203 1.497 25449 5801 1 12 . 1 1 37 37 ILE HA H 37 4.770 4.770 4.305 0.465 25449 5802 1 12 . 1 1 37 37 ILE C C 37 173.300 173.300 174.242 -0.942 25449 5803 1 12 . 1 1 37 37 ILE CA C 37 60.600 60.600 61.812 -1.212 25449 5804 1 12 . 1 1 37 37 ILE CB C 37 41.200 41.200 41.374 -0.174 25449 5805 1 12 . 1 1 37 37 ILE H H 37 8.030 8.030 8.490 -0.460 25449 5806 1 12 . 1 1 38 38 GLU N N 38 126.700 126.700 129.473 -2.773 25449 5807 1 12 . 1 1 38 38 GLU HA H 38 4.660 4.660 4.647 0.013 25449 5808 1 12 . 1 1 38 38 GLU C C 38 174.800 174.800 174.243 0.557 25449 5809 1 12 . 1 1 38 38 GLU CA C 38 54.400 54.400 55.680 -1.280 25449 5810 1 12 . 1 1 38 38 GLU CB C 38 33.400 33.400 31.330 2.070 25449 5811 1 12 . 1 1 38 38 GLU H H 38 8.870 8.870 8.483 0.387 25449 5812 1 12 . 1 1 39 39 VAL N N 39 126.400 126.400 126.146 0.254 25449 5813 1 12 . 1 1 39 39 VAL CA C 39 58.700 58.700 57.894 0.806 25449 5814 1 12 . 1 1 39 39 VAL CB C 39 32.600 32.600 33.742 -1.142 25449 5815 1 12 . 1 1 39 39 VAL H H 39 8.970 8.970 8.394 0.576 25449 5816 1 12 . 1 1 40 40 PRO HA H 40 4.230 4.230 4.460 -0.230 25449 5817 1 12 . 1 1 40 40 PRO C C 40 176.300 176.300 175.164 1.136 25449 5818 1 12 . 1 1 40 40 PRO CA C 40 63.300 63.300 62.950 0.350 25449 5819 1 12 . 1 1 40 40 PRO CB C 40 32.500 32.500 32.327 0.173 25449 5820 1 12 . 1 1 41 41 LEU N N 41 120.700 120.700 123.285 -2.585 25449 5821 1 12 . 1 1 41 41 LEU HA H 41 4.520 4.520 4.638 -0.118 25449 5822 1 12 . 1 1 41 41 LEU C C 41 177.900 177.900 175.844 2.056 25449 5823 1 12 . 1 1 41 41 LEU CA C 41 53.100 53.100 53.139 -0.039 25449 5824 1 12 . 1 1 41 41 LEU CB C 41 44.300 44.300 45.323 -1.023 25449 5825 1 12 . 1 1 41 41 LEU H H 41 8.520 8.520 8.209 0.311 25449 5826 1 12 . 1 1 42 42 ASN N N 42 121.400 121.400 122.166 -0.766 25449 5827 1 12 . 1 1 42 42 ASN HA H 42 4.560 4.560 4.875 -0.315 25449 5828 1 12 . 1 1 42 42 ASN C C 42 176.700 176.700 176.323 0.377 25449 5829 1 12 . 1 1 42 42 ASN CA C 42 52.900 52.900 52.420 0.480 25449 5830 1 12 . 1 1 42 42 ASN CB C 42 39.000 39.000 40.042 -1.042 25449 5831 1 12 . 1 1 42 42 ASN H H 42 8.740 8.740 8.193 0.547 25449 5832 1 12 . 1 1 43 43 MET N N 43 125.500 125.500 124.139 1.361 25449 5833 1 12 . 1 1 43 43 MET HA H 43 4.210 4.210 4.363 -0.153 25449 5834 1 12 . 1 1 43 43 MET C C 43 177.200 177.200 177.018 0.182 25449 5835 1 12 . 1 1 43 43 MET CA C 43 57.100 57.100 57.585 -0.485 25449 5836 1 12 . 1 1 43 43 MET CB C 43 31.600 31.600 32.321 -0.721 25449 5837 1 12 . 1 1 43 43 MET H H 43 9.080 9.080 8.912 0.168 25449 5838 1 12 . 1 1 44 44 THR N N 44 114.400 114.400 114.438 -0.038 25449 5839 1 12 . 1 1 44 44 THR HA H 44 4.160 4.160 4.332 -0.172 25449 5840 1 12 . 1 1 44 44 THR C C 44 175.900 175.900 176.117 -0.217 25449 5841 1 12 . 1 1 44 44 THR CA C 44 65.200 65.200 65.103 0.097 25449 5842 1 12 . 1 1 44 44 THR CB C 44 68.700 68.700 69.248 -0.548 25449 5843 1 12 . 1 1 44 44 THR H H 44 8.590 8.590 7.995 0.595 25449 5844 1 12 . 1 1 45 45 THR N N 45 110.300 110.300 113.783 -3.483 25449 5845 1 12 . 1 1 45 45 THR HA H 45 4.160 4.160 4.364 -0.204 25449 5846 1 12 . 1 1 45 45 THR C C 45 175.500 175.500 173.903 1.597 25449 5847 1 12 . 1 1 45 45 THR CA C 45 62.000 62.000 61.380 0.620 25449 5848 1 12 . 1 1 45 45 THR CB C 45 70.000 70.000 69.437 0.563 25449 5849 1 12 . 1 1 45 45 THR H H 45 7.610 7.610 7.656 -0.046 25449 5850 1 12 . 1 1 46 46 LYS N N 46 115.700 115.700 121.113 -5.413 25449 5851 1 12 . 1 1 46 46 LYS HA H 46 3.720 3.720 3.942 -0.222 25449 5852 1 12 . 1 1 46 46 LYS C C 46 174.600 174.600 173.971 0.629 25449 5853 1 12 . 1 1 46 46 LYS CA C 46 57.600 57.600 57.296 0.304 25449 5854 1 12 . 1 1 46 46 LYS CB C 46 28.900 28.900 30.252 -1.352 25449 5855 1 12 . 1 1 46 46 LYS H H 46 8.460 8.460 8.114 0.346 25449 5856 1 12 . 1 1 47 47 LYS N N 47 117.100 117.100 118.429 -1.329 25449 5857 1 12 . 1 1 47 47 LYS HA H 47 4.680 4.680 4.539 0.141 25449 5858 1 12 . 1 1 47 47 LYS C C 47 176.300 176.300 176.598 -0.298 25449 5859 1 12 . 1 1 47 47 LYS CA C 47 54.000 54.000 53.914 0.086 25449 5860 1 12 . 1 1 47 47 LYS CB C 47 35.100 35.100 33.969 1.131 25449 5861 1 12 . 1 1 47 47 LYS H H 47 7.610 7.610 7.665 -0.055 25449 5862 1 12 . 1 1 48 48 ASN N N 48 117.700 117.700 119.497 -1.797 25449 5863 1 12 . 1 1 48 48 ASN HA H 48 4.700 4.700 4.832 -0.132 25449 5864 1 12 . 1 1 48 48 ASN C C 48 174.000 174.000 175.585 -1.585 25449 5865 1 12 . 1 1 48 48 ASN CA C 48 53.600 53.600 52.800 0.800 25449 5866 1 12 . 1 1 48 48 ASN CB C 48 37.700 37.700 39.098 -1.398 25449 5867 1 12 . 1 1 48 48 ASN H H 48 8.740 8.740 8.636 0.104 25449 5868 1 12 . 1 1 49 49 ARG N N 49 116.800 116.800 116.327 0.473 25449 5869 1 12 . 1 1 49 49 ARG HA H 49 4.350 4.350 3.995 0.355 25449 5870 1 12 . 1 1 49 49 ARG C C 49 177.500 177.500 176.504 0.996 25449 5871 1 12 . 1 1 49 49 ARG CA C 49 55.600 55.600 56.535 -0.935 25449 5872 1 12 . 1 1 49 49 ARG CB C 49 31.600 31.600 27.086 4.514 25449 5873 1 12 . 1 1 49 49 ARG H H 49 8.530 8.530 8.421 0.109 25449 5874 1 12 . 1 1 50 50 GLY N N 50 108.300 108.300 107.339 0.961 25449 5875 1 12 . 1 1 50 50 GLY C C 50 173.500 173.500 173.232 0.268 25449 5876 1 12 . 1 1 50 50 GLY CA C 50 45.800 45.800 45.463 0.337 25449 5877 1 12 . 1 1 50 50 GLY H H 50 8.900 8.900 8.766 0.134 25449 5878 1 12 . 1 1 51 51 PHE N N 51 113.900 113.900 114.856 -0.956 25449 5879 1 12 . 1 1 51 51 PHE HA H 51 5.470 5.470 4.616 0.854 25449 5880 1 12 . 1 1 51 51 PHE C C 51 172.000 172.000 172.431 -0.431 25449 5881 1 12 . 1 1 51 51 PHE CA C 51 55.000 55.000 55.588 -0.588 25449 5882 1 12 . 1 1 51 51 PHE CB C 51 42.700 42.700 40.491 2.209 25449 5883 1 12 . 1 1 51 51 PHE H H 51 6.910 6.910 7.394 -0.484 25449 5884 1 12 . 1 1 52 52 ALA N N 52 120.500 120.500 124.194 -3.694 25449 5885 1 12 . 1 1 52 52 ALA HA H 52 4.630 4.630 4.586 0.044 25449 5886 1 12 . 1 1 52 52 ALA C C 52 173.900 173.900 174.877 -0.977 25449 5887 1 12 . 1 1 52 52 ALA CA C 52 50.200 50.200 50.628 -0.428 25449 5888 1 12 . 1 1 52 52 ALA CB C 52 25.100 25.100 22.137 2.963 25449 5889 1 12 . 1 1 52 52 ALA H H 52 8.810 8.810 7.620 1.190 25449 5890 1 12 . 1 1 53 53 PHE N N 53 115.000 115.000 119.995 -4.995 25449 5891 1 12 . 1 1 53 53 PHE HA H 53 5.660 5.660 4.721 0.939 25449 5892 1 12 . 1 1 53 53 PHE C C 53 175.600 175.600 174.562 1.038 25449 5893 1 12 . 1 1 53 53 PHE CA C 53 56.200 56.200 58.096 -1.896 25449 5894 1 12 . 1 1 53 53 PHE CB C 53 42.400 42.400 41.873 0.527 25449 5895 1 12 . 1 1 53 53 PHE H H 53 8.730 8.730 8.916 -0.186 25449 5896 1 12 . 1 1 54 54 VAL N N 54 122.300 122.300 122.934 -0.634 25449 5897 1 12 . 1 1 54 54 VAL HA H 54 4.100 4.100 4.220 -0.120 25449 5898 1 12 . 1 1 54 54 VAL C C 54 173.000 173.000 174.177 -1.177 25449 5899 1 12 . 1 1 54 54 VAL CA C 54 61.700 61.700 61.590 0.110 25449 5900 1 12 . 1 1 54 54 VAL CB C 54 34.400 34.400 34.326 0.074 25449 5901 1 12 . 1 1 54 54 VAL H H 54 9.060 9.060 8.179 0.881 25449 5902 1 12 . 1 1 55 55 GLU N N 55 127.300 127.300 126.280 1.020 25449 5903 1 12 . 1 1 55 55 GLU HA H 55 5.160 5.160 4.795 0.365 25449 5904 1 12 . 1 1 55 55 GLU C C 55 175.900 175.900 175.649 0.251 25449 5905 1 12 . 1 1 55 55 GLU CA C 55 54.000 54.000 54.638 -0.638 25449 5906 1 12 . 1 1 55 55 GLU CB C 55 31.700 31.700 31.895 -0.195 25449 5907 1 12 . 1 1 55 55 GLU H H 55 8.860 8.860 8.132 0.728 25449 5908 1 12 . 1 1 56 56 TYR N N 56 127.500 127.500 123.221 4.279 25449 5909 1 12 . 1 1 56 56 TYR HA H 56 4.520 4.520 4.491 0.029 25449 5910 1 12 . 1 1 56 56 TYR C C 56 175.000 175.000 176.236 -1.236 25449 5911 1 12 . 1 1 56 56 TYR CA C 56 59.700 59.700 59.252 0.448 25449 5912 1 12 . 1 1 56 56 TYR CB C 56 40.200 40.200 40.695 -0.495 25449 5913 1 12 . 1 1 56 56 TYR H H 56 9.470 9.470 8.047 1.423 25449 5914 1 12 . 1 1 57 57 VAL N N 57 119.200 119.200 119.509 -0.309 25449 5915 1 12 . 1 1 57 57 VAL HA H 57 3.570 3.570 3.978 -0.408 25449 5916 1 12 . 1 1 57 57 VAL C C 57 177.000 177.000 175.324 1.676 25449 5917 1 12 . 1 1 57 57 VAL CA C 57 66.300 66.300 63.990 2.310 25449 5918 1 12 . 1 1 57 57 VAL CB C 57 32.000 32.000 32.486 -0.486 25449 5919 1 12 . 1 1 57 57 VAL H H 57 7.800 7.800 8.005 -0.205 25449 5920 1 12 . 1 1 58 58 GLU N N 58 118.500 118.500 119.337 -0.837 25449 5921 1 12 . 1 1 58 58 GLU HA H 58 4.780 4.780 4.606 0.174 25449 5922 1 12 . 1 1 58 58 GLU C C 58 177.500 177.500 176.514 0.986 25449 5923 1 12 . 1 1 58 58 GLU CA C 58 53.800 53.800 55.159 -1.359 25449 5924 1 12 . 1 1 58 58 GLU CB C 58 30.500 30.500 30.596 -0.096 25449 5925 1 12 . 1 1 58 58 GLU H H 58 9.530 9.530 8.166 1.364 25449 5926 1 12 . 1 1 59 59 VAL N N 59 125.200 125.200 124.999 0.201 25449 5927 1 12 . 1 1 59 59 VAL HA H 59 3.530 3.530 3.869 -0.339 25449 5928 1 12 . 1 1 59 59 VAL C C 59 177.600 177.600 176.980 0.620 25449 5929 1 12 . 1 1 59 59 VAL CA C 59 66.100 66.100 65.079 1.021 25449 5930 1 12 . 1 1 59 59 VAL CB C 59 31.700 31.700 32.245 -0.545 25449 5931 1 12 . 1 1 59 59 VAL H H 59 8.650 8.650 8.687 -0.037 25449 5932 1 12 . 1 1 60 60 ASP N N 60 118.500 118.500 119.411 -0.911 25449 5933 1 12 . 1 1 60 60 ASP HA H 60 4.220 4.220 4.480 -0.260 25449 5934 1 12 . 1 1 60 60 ASP C C 60 178.300 178.300 177.762 0.538 25449 5935 1 12 . 1 1 60 60 ASP CA C 60 57.600 57.600 57.666 -0.066 25449 5936 1 12 . 1 1 60 60 ASP CB C 60 40.500 40.500 40.546 -0.046 25449 5937 1 12 . 1 1 60 60 ASP H H 60 8.970 8.970 8.524 0.446 25449 5938 1 12 . 1 1 61 61 ASP N N 61 119.900 119.900 119.954 -0.054 25449 5939 1 12 . 1 1 61 61 ASP HA H 61 4.360 4.360 4.429 -0.069 25449 5940 1 12 . 1 1 61 61 ASP C C 61 176.800 176.800 178.491 -1.691 25449 5941 1 12 . 1 1 61 61 ASP CA C 61 56.900 56.900 57.556 -0.656 25449 5942 1 12 . 1 1 61 61 ASP CB C 61 39.800 39.800 40.451 -0.651 25449 5943 1 12 . 1 1 61 61 ASP H H 61 6.920 6.920 8.503 -1.583 25449 5944 1 12 . 1 1 62 62 ALA N N 62 122.700 122.700 122.102 0.598 25449 5945 1 12 . 1 1 62 62 ALA HA H 62 3.380 3.380 3.241 0.139 25449 5946 1 12 . 1 1 62 62 ALA C C 62 171.600 171.600 179.239 -7.639 25449 5947 1 12 . 1 1 62 62 ALA CA C 62 55.100 55.100 55.154 -0.054 25449 5948 1 12 . 1 1 62 62 ALA CB C 62 18.200 18.200 18.262 -0.062 25449 5949 1 12 . 1 1 62 62 ALA H H 62 6.910 6.910 7.746 -0.836 25449 5950 1 12 . 1 1 63 63 LYS N N 63 116.200 116.200 118.169 -1.969 25449 5951 1 12 . 1 1 63 63 LYS HA H 63 4.190 4.190 3.921 0.269 25449 5952 1 12 . 1 1 63 63 LYS C C 63 179.200 179.200 178.939 0.261 25449 5953 1 12 . 1 1 63 63 LYS CA C 63 59.300 59.300 59.832 -0.532 25449 5954 1 12 . 1 1 63 63 LYS CB C 63 32.600 32.600 31.842 0.758 25449 5955 1 12 . 1 1 63 63 LYS H H 63 8.020 8.020 8.029 -0.009 25449 5956 1 12 . 1 1 64 64 HIS N N 64 117.400 117.400 117.719 -0.319 25449 5957 1 12 . 1 1 64 64 HIS HA H 64 4.310 4.310 4.402 -0.092 25449 5958 1 12 . 1 1 64 64 HIS CA C 64 58.000 58.000 58.781 -0.781 25449 5959 1 12 . 1 1 64 64 HIS CB C 64 29.100 29.100 30.097 -0.997 25449 5960 1 12 . 1 1 64 64 HIS H H 64 7.460 7.460 7.531 -0.071 25449 5961 1 12 . 1 1 65 65 ALA N N 65 123.700 123.700 122.789 0.911 25449 5962 1 12 . 1 1 65 65 ALA HA H 65 2.170 2.170 3.929 -1.759 25449 5963 1 12 . 1 1 65 65 ALA C C 65 178.700 178.700 179.241 -0.541 25449 5964 1 12 . 1 1 65 65 ALA CA C 65 54.800 54.800 54.996 -0.196 25449 5965 1 12 . 1 1 65 65 ALA CB C 65 19.400 19.400 18.654 0.746 25449 5966 1 12 . 1 1 65 65 ALA H H 65 8.190 8.190 7.789 0.401 25449 5967 1 12 . 1 1 66 66 LEU N N 66 119.800 119.800 119.239 0.561 25449 5968 1 12 . 1 1 66 66 LEU HA H 66 3.430 3.430 4.059 -0.629 25449 5969 1 12 . 1 1 66 66 LEU C C 66 178.700 178.700 179.015 -0.315 25449 5970 1 12 . 1 1 66 66 LEU CA C 66 59.700 59.700 57.759 1.941 25449 5971 1 12 . 1 1 66 66 LEU CB C 66 41.100 41.100 41.700 -0.600 25449 5972 1 12 . 1 1 66 66 LEU H H 66 8.340 8.340 7.519 0.821 25449 5973 1 12 . 1 1 67 67 TYR N N 67 116.200 116.200 118.764 -2.564 25449 5974 1 12 . 1 1 67 67 TYR HA H 67 4.010 4.010 4.189 -0.179 25449 5975 1 12 . 1 1 67 67 TYR C C 67 177.700 177.700 177.188 0.512 25449 5976 1 12 . 1 1 67 67 TYR CA C 67 60.500 60.500 61.522 -1.022 25449 5977 1 12 . 1 1 67 67 TYR CB C 67 38.100 38.100 38.519 -0.419 25449 5978 1 12 . 1 1 67 67 TYR H H 67 7.760 7.760 7.890 -0.130 25449 5979 1 12 . 1 1 68 68 ASN N N 68 113.900 113.900 114.989 -1.089 25449 5980 1 12 . 1 1 68 68 ASN HA H 68 4.430 4.430 4.667 -0.237 25449 5981 1 12 . 1 1 68 68 ASN C C 68 176.400 176.400 175.803 0.597 25449 5982 1 12 . 1 1 68 68 ASN CA C 68 55.600 55.600 54.343 1.257 25449 5983 1 12 . 1 1 68 68 ASN CB C 68 41.400 41.400 38.583 2.817 25449 5984 1 12 . 1 1 68 68 ASN H H 68 7.480 7.480 7.925 -0.445 25449 5985 1 12 . 1 1 69 69 MET N N 69 114.900 114.900 115.977 -1.077 25449 5986 1 12 . 1 1 69 69 MET HA H 69 4.760 4.760 4.563 0.197 25449 5987 1 12 . 1 1 69 69 MET C C 69 177.000 177.000 177.325 -0.325 25449 5988 1 12 . 1 1 69 69 MET CA C 69 53.500 53.500 54.157 -0.657 25449 5989 1 12 . 1 1 69 69 MET CB C 69 31.100 31.100 32.658 -1.558 25449 5990 1 12 . 1 1 69 69 MET H H 69 8.310 8.310 7.555 0.755 25449 5991 1 12 . 1 1 70 70 ASN N N 70 117.700 117.700 120.299 -2.599 25449 5992 1 12 . 1 1 70 70 ASN HA H 70 4.370 4.370 4.497 -0.127 25449 5993 1 12 . 1 1 70 70 ASN C C 70 176.400 176.400 175.864 0.536 25449 5994 1 12 . 1 1 70 70 ASN CA C 70 56.100 56.100 55.669 0.431 25449 5995 1 12 . 1 1 70 70 ASN CB C 70 38.700 38.700 37.788 0.912 25449 5996 1 12 . 1 1 70 70 ASN H H 70 7.660 7.660 8.444 -0.784 25449 5997 1 12 . 1 1 71 71 ASN N N 71 121.500 121.500 116.349 5.151 25449 5998 1 12 . 1 1 71 71 ASN HA H 71 4.510 4.510 4.670 -0.160 25449 5999 1 12 . 1 1 71 71 ASN C C 71 173.300 173.300 174.548 -1.248 25449 6000 1 12 . 1 1 71 71 ASN CA C 71 55.800 55.800 52.275 3.525 25449 6001 1 12 . 1 1 71 71 ASN CB C 71 38.200 38.200 38.288 -0.088 25449 6002 1 12 . 1 1 71 71 ASN H H 71 8.600 8.600 8.207 0.393 25449 6003 1 12 . 1 1 72 72 PHE N N 72 122.300 122.300 123.006 -0.706 25449 6004 1 12 . 1 1 72 72 PHE HA H 72 4.190 4.190 4.449 -0.259 25449 6005 1 12 . 1 1 72 72 PHE C C 72 174.100 174.100 173.934 0.166 25449 6006 1 12 . 1 1 72 72 PHE CA C 72 58.700 58.700 57.688 1.012 25449 6007 1 12 . 1 1 72 72 PHE CB C 72 41.300 41.300 40.130 1.170 25449 6008 1 12 . 1 1 72 72 PHE H H 72 7.870 7.870 7.501 0.369 25449 6009 1 12 . 1 1 73 73 GLU N N 73 126.100 126.100 127.360 -1.260 25449 6010 1 12 . 1 1 73 73 GLU HA H 73 4.230 4.230 4.332 -0.102 25449 6011 1 12 . 1 1 73 73 GLU C C 73 173.000 173.000 174.280 -1.280 25449 6012 1 12 . 1 1 73 73 GLU CA C 73 55.600 55.600 54.171 1.429 25449 6013 1 12 . 1 1 73 73 GLU CB C 73 30.300 30.300 31.412 -1.112 25449 6014 1 12 . 1 1 73 73 GLU H H 73 7.690 7.690 8.150 -0.460 25449 6015 1 12 . 1 1 74 74 LEU N N 74 128.900 128.900 124.378 4.522 25449 6016 1 12 . 1 1 74 74 LEU HA H 74 4.520 4.520 4.304 0.216 25449 6017 1 12 . 1 1 74 74 LEU C C 74 175.500 175.500 175.808 -0.308 25449 6018 1 12 . 1 1 74 74 LEU CA C 74 53.300 53.300 54.646 -1.346 25449 6019 1 12 . 1 1 74 74 LEU CB C 74 44.600 44.600 42.998 1.603 25449 6020 1 12 . 1 1 74 74 LEU H H 74 8.620 8.620 8.098 0.522 25449 6021 1 12 . 1 1 75 75 ASN N N 75 126.800 126.800 123.085 3.715 25449 6022 1 12 . 1 1 75 75 ASN HA H 75 4.210 4.210 4.502 -0.292 25449 6023 1 12 . 1 1 75 75 ASN C C 75 175.600 175.600 175.582 0.018 25449 6024 1 12 . 1 1 75 75 ASN CA C 75 53.900 53.900 53.280 0.620 25449 6025 1 12 . 1 1 75 75 ASN CB C 75 36.900 36.900 37.724 -0.824 25449 6026 1 12 . 1 1 75 75 ASN H H 75 9.520 9.520 8.799 0.721 25449 6027 1 12 . 1 1 76 76 GLY N N 76 102.300 102.300 103.555 -1.255 25449 6028 1 12 . 1 1 76 76 GLY C C 76 173.600 173.600 173.523 0.077 25449 6029 1 12 . 1 1 76 76 GLY CA C 76 45.300 45.300 45.479 -0.179 25449 6030 1 12 . 1 1 76 76 GLY H H 76 8.500 8.500 8.409 0.091 25449 6031 1 12 . 1 1 77 77 LYS N N 77 120.800 120.800 118.430 2.370 25449 6032 1 12 . 1 1 77 77 LYS HA H 77 4.570 4.570 4.495 0.075 25449 6033 1 12 . 1 1 77 77 LYS C C 77 175.100 175.100 174.316 0.784 25449 6034 1 12 . 1 1 77 77 LYS CA C 77 54.200 54.200 54.327 -0.126 25449 6035 1 12 . 1 1 77 77 LYS CB C 77 34.500 34.500 34.910 -0.409 25449 6036 1 12 . 1 1 77 77 LYS H H 77 7.580 7.580 7.473 0.107 25449 6037 1 12 . 1 1 78 78 ARG N N 78 123.300 123.300 124.588 -1.288 25449 6038 1 12 . 1 1 78 78 ARG HA H 78 4.480 4.480 4.474 0.006 25449 6039 1 12 . 1 1 78 78 ARG C C 78 176.600 176.600 175.852 0.748 25449 6040 1 12 . 1 1 78 78 ARG CA C 78 55.300 55.300 55.229 0.071 25449 6041 1 12 . 1 1 78 78 ARG CB C 78 30.300 30.300 30.982 -0.682 25449 6042 1 12 . 1 1 78 78 ARG H H 78 8.580 8.580 8.414 0.166 25449 6043 1 12 . 1 1 79 79 ILE N N 79 120.100 120.100 124.234 -4.134 25449 6044 1 12 . 1 1 79 79 ILE HA H 79 4.700 4.700 4.258 0.442 25449 6045 1 12 . 1 1 79 79 ILE C C 79 175.200 175.200 175.513 -0.313 25449 6046 1 12 . 1 1 79 79 ILE CA C 79 60.000 60.000 60.690 -0.690 25449 6047 1 12 . 1 1 79 79 ILE CB C 79 39.400 39.400 38.509 0.891 25449 6048 1 12 . 1 1 79 79 ILE H H 79 8.450 8.450 8.436 0.014 25449 6049 1 12 . 1 1 80 80 HIS N N 80 119.900 119.900 125.539 -5.639 25449 6050 1 12 . 1 1 80 80 HIS HA H 80 5.190 5.190 4.828 0.362 25449 6051 1 12 . 1 1 80 80 HIS C C 80 173.600 173.600 174.515 -0.915 25449 6052 1 12 . 1 1 80 80 HIS CA C 80 53.800 53.800 55.500 -1.700 25449 6053 1 12 . 1 1 80 80 HIS CB C 80 31.300 31.300 30.871 0.429 25449 6054 1 12 . 1 1 80 80 HIS H H 80 8.580 8.580 8.064 0.516 25449 6055 1 12 . 1 1 81 81 VAL N N 81 123.800 123.800 125.153 -1.353 25449 6056 1 12 . 1 1 81 81 VAL HA H 81 5.280 5.280 4.813 0.467 25449 6057 1 12 . 1 1 81 81 VAL C C 81 173.600 173.600 174.689 -1.089 25449 6058 1 12 . 1 1 81 81 VAL CA C 81 60.200 60.200 61.124 -0.924 25449 6059 1 12 . 1 1 81 81 VAL CB C 81 35.000 35.000 33.254 1.746 25449 6060 1 12 . 1 1 81 81 VAL H H 81 8.650 8.650 8.598 0.052 25449 6061 1 12 . 1 1 82 82 ASN N N 82 121.100 121.100 123.160 -2.060 25449 6062 1 12 . 1 1 82 82 ASN HA H 82 4.750 4.750 4.963 -0.213 25449 6063 1 12 . 1 1 82 82 ASN C C 82 174.000 174.000 172.749 1.251 25449 6064 1 12 . 1 1 82 82 ASN CA C 82 51.900 51.900 52.019 -0.118 25449 6065 1 12 . 1 1 82 82 ASN CB C 82 42.900 42.900 40.294 2.606 25449 6066 1 12 . 1 1 82 82 ASN H H 82 8.890 8.890 8.370 0.520 25449 6067 1 12 . 1 1 83 83 TYR N N 83 120.400 120.400 119.662 0.738 25449 6068 1 12 . 1 1 83 83 TYR HA H 83 4.800 4.800 4.956 -0.156 25449 6069 1 12 . 1 1 83 83 TYR C C 83 177.100 177.100 175.450 1.650 25449 6070 1 12 . 1 1 83 83 TYR CA C 83 59.400 59.400 58.267 1.133 25449 6071 1 12 . 1 1 83 83 TYR CB C 83 38.700 38.700 40.348 -1.648 25449 6072 1 12 . 1 1 83 83 TYR H H 83 8.480 8.480 8.516 -0.036 25449 6073 1 12 . 1 1 84 84 SER N N 84 118.000 118.000 116.199 1.801 25449 6074 1 12 . 1 1 84 84 SER HA H 84 4.520 4.520 4.259 0.261 25449 6075 1 12 . 1 1 84 84 SER C C 84 174.100 174.100 172.532 1.568 25449 6076 1 12 . 1 1 84 84 SER CA C 84 57.700 57.700 56.006 1.694 25449 6077 1 12 . 1 1 84 84 SER CB C 84 64.300 64.300 64.776 -0.476 25449 6078 1 12 . 1 1 84 84 SER H H 84 9.040 9.040 7.287 1.753 25449 6079 1 12 . 1 1 85 85 LYS N N 85 125.300 125.300 121.504 3.796 25449 6080 1 12 . 1 1 85 85 LYS HA H 85 4.440 4.440 4.478 -0.038 25449 6081 1 12 . 1 1 85 85 LYS C C 85 175.600 175.600 176.045 -0.445 25449 6082 1 12 . 1 1 85 85 LYS CA C 85 56.300 56.300 54.860 1.440 25449 6083 1 12 . 1 1 85 85 LYS CB C 85 33.700 33.700 33.401 0.298 25449 6084 1 12 . 1 1 85 85 LYS H H 85 8.410 8.410 8.198 0.212 25449 6085 1 13 . 1 1 -1 -1 SER N N -1 115.600 115.600 117.772 -2.172 25449 6086 1 13 . 1 1 -1 -1 SER HA H -1 4.410 4.410 4.544 -0.134 25449 6087 1 13 . 1 1 -1 -1 SER C C -1 172.000 172.000 174.537 -2.537 25449 6088 1 13 . 1 1 -1 -1 SER CA C -1 58.200 58.200 58.844 -0.644 25449 6089 1 13 . 1 1 -1 -1 SER CB C -1 63.900 63.900 64.132 -0.232 25449 6090 1 13 . 1 1 -1 -1 SER H H -1 8.670 8.670 8.349 0.321 25449 6091 1 13 . 1 1 0 0 HIS N N 0 121.200 121.200 122.647 -1.447 25449 6092 1 13 . 1 1 0 0 HIS HA H 0 4.590 4.590 4.638 -0.048 25449 6093 1 13 . 1 1 0 0 HIS C C 0 174.800 174.800 173.651 1.149 25449 6094 1 13 . 1 1 0 0 HIS CA C 0 56.100 56.100 54.852 1.248 25449 6095 1 13 . 1 1 0 0 HIS CB C 0 29.900 29.900 29.188 0.712 25449 6096 1 13 . 1 1 0 0 HIS H H 0 8.730 8.730 8.447 0.283 25449 6097 1 13 . 1 1 1 1 MET N N 1 121.800 121.800 120.156 1.644 25449 6098 1 13 . 1 1 1 1 MET HA H 1 4.370 4.370 4.641 -0.271 25449 6099 1 13 . 1 1 1 1 MET C C 1 176.300 176.300 175.603 0.697 25449 6100 1 13 . 1 1 1 1 MET CA C 1 55.700 55.700 54.075 1.625 25449 6101 1 13 . 1 1 1 1 MET CB C 1 32.800 32.800 33.956 -1.156 25449 6102 1 13 . 1 1 1 1 MET H H 1 8.450 8.450 7.531 0.919 25449 6103 1 13 . 1 1 2 2 SER N N 2 116.700 116.700 122.773 -6.073 25449 6104 1 13 . 1 1 2 2 SER HA H 2 4.370 4.370 4.358 0.012 25449 6105 1 13 . 1 1 2 2 SER C C 2 174.200 174.200 174.311 -0.111 25449 6106 1 13 . 1 1 2 2 SER CA C 2 58.400 58.400 58.941 -0.541 25449 6107 1 13 . 1 1 2 2 SER CB C 2 63.800 63.800 63.770 0.030 25449 6108 1 13 . 1 1 2 2 SER H H 2 8.410 8.410 8.538 -0.128 25449 6109 1 13 . 1 1 3 3 ASP N N 3 122.100 122.100 121.568 0.532 25449 6110 1 13 . 1 1 3 3 ASP HA H 3 4.550 4.550 4.910 -0.360 25449 6111 1 13 . 1 1 3 3 ASP C C 3 176.100 176.100 174.203 1.897 25449 6112 1 13 . 1 1 3 3 ASP CA C 3 54.500 54.500 54.463 0.037 25449 6113 1 13 . 1 1 3 3 ASP CB C 3 41.200 41.200 41.785 -0.585 25449 6114 1 13 . 1 1 3 3 ASP H H 3 8.340 8.340 8.292 0.048 25449 6115 1 13 . 1 1 4 4 ASN N N 4 119.100 119.100 120.603 -1.503 25449 6116 1 13 . 1 1 4 4 ASN HA H 4 4.580 4.580 4.878 -0.298 25449 6117 1 13 . 1 1 4 4 ASN C C 4 174.900 174.900 174.507 0.393 25449 6118 1 13 . 1 1 4 4 ASN CA C 4 53.700 53.700 53.612 0.088 25449 6119 1 13 . 1 1 4 4 ASN CB C 4 38.900 38.900 39.469 -0.569 25449 6120 1 13 . 1 1 4 4 ASN H H 4 8.420 8.420 8.243 0.177 25449 6121 1 13 . 1 1 5 5 ASN N N 5 118.400 118.400 117.828 0.572 25449 6122 1 13 . 1 1 5 5 ASN HA H 5 4.540 4.540 4.418 0.122 25449 6123 1 13 . 1 1 5 5 ASN C C 5 173.900 173.900 175.118 -1.218 25449 6124 1 13 . 1 1 5 5 ASN CA C 5 53.200 53.200 53.117 0.083 25449 6125 1 13 . 1 1 5 5 ASN CB C 5 38.700 38.700 38.146 0.554 25449 6126 1 13 . 1 1 5 5 ASN H H 5 8.340 8.340 8.470 -0.130 25449 6127 1 13 . 1 1 6 6 ALA N N 6 122.100 122.100 121.180 0.920 25449 6128 1 13 . 1 1 6 6 ALA HA H 6 2.740 2.740 4.075 -1.335 25449 6129 1 13 . 1 1 6 6 ALA C C 6 177.000 177.000 176.324 0.676 25449 6130 1 13 . 1 1 6 6 ALA CA C 6 52.300 52.300 52.727 -0.427 25449 6131 1 13 . 1 1 6 6 ALA CB C 6 20.000 20.000 17.977 2.023 25449 6132 1 13 . 1 1 6 6 ALA H H 6 7.590 7.590 7.785 -0.195 25449 6133 1 13 . 1 1 7 7 THR N N 7 112.700 112.700 117.319 -4.619 25449 6134 1 13 . 1 1 7 7 THR HA H 7 4.390 4.390 4.470 -0.080 25449 6135 1 13 . 1 1 7 7 THR C C 7 171.700 171.700 175.074 -3.374 25449 6136 1 13 . 1 1 7 7 THR CA C 7 59.800 59.800 60.687 -0.887 25449 6137 1 13 . 1 1 7 7 THR CB C 7 70.600 70.600 70.169 0.431 25449 6138 1 13 . 1 1 7 7 THR H H 7 6.840 6.840 8.068 -1.228 25449 6139 1 13 . 1 1 8 8 ASP N N 8 114.600 114.600 119.972 -5.372 25449 6140 1 13 . 1 1 8 8 ASP HA H 8 4.490 4.490 4.275 0.215 25449 6141 1 13 . 1 1 8 8 ASP C C 8 174.300 174.300 174.082 0.218 25449 6142 1 13 . 1 1 8 8 ASP CA C 8 53.500 53.500 55.626 -2.126 25449 6143 1 13 . 1 1 8 8 ASP CB C 8 39.800 39.800 39.877 -0.077 25449 6144 1 13 . 1 1 8 8 ASP H H 8 8.170 8.170 8.697 -0.527 25449 6145 1 13 . 1 1 9 9 ILE N N 9 117.800 117.800 119.187 -1.387 25449 6146 1 13 . 1 1 9 9 ILE HA H 9 4.810 4.810 5.034 -0.224 25449 6147 1 13 . 1 1 9 9 ILE C C 9 174.700 174.700 174.250 0.450 25449 6148 1 13 . 1 1 9 9 ILE CA C 9 60.600 60.600 60.368 0.232 25449 6149 1 13 . 1 1 9 9 ILE CB C 9 40.300 40.300 40.262 0.038 25449 6150 1 13 . 1 1 9 9 ILE H H 9 7.890 7.890 7.470 0.420 25449 6151 1 13 . 1 1 10 10 LEU N N 10 125.300 125.300 127.007 -1.707 25449 6152 1 13 . 1 1 10 10 LEU HA H 10 4.960 4.960 4.739 0.221 25449 6153 1 13 . 1 1 10 10 LEU C C 10 176.100 176.100 174.839 1.261 25449 6154 1 13 . 1 1 10 10 LEU CA C 10 52.900 52.900 54.010 -1.110 25449 6155 1 13 . 1 1 10 10 LEU CB C 10 43.100 43.100 45.232 -2.132 25449 6156 1 13 . 1 1 10 10 LEU H H 10 9.370 9.370 8.297 1.073 25449 6157 1 13 . 1 1 11 11 PHE N N 11 124.300 124.300 126.370 -2.070 25449 6158 1 13 . 1 1 11 11 PHE HA H 11 4.670 4.670 4.527 0.143 25449 6159 1 13 . 1 1 11 11 PHE C C 11 173.400 173.400 174.134 -0.734 25449 6160 1 13 . 1 1 11 11 PHE CA C 11 57.000 57.000 57.688 -0.688 25449 6161 1 13 . 1 1 11 11 PHE CB C 11 40.700 40.700 40.913 -0.213 25449 6162 1 13 . 1 1 11 11 PHE H H 11 9.310 9.310 8.083 1.227 25449 6163 1 13 . 1 1 12 12 VAL N N 12 128.300 128.300 124.180 4.120 25449 6164 1 13 . 1 1 12 12 VAL HA H 12 4.420 4.420 4.183 0.237 25449 6165 1 13 . 1 1 12 12 VAL C C 12 173.900 173.900 174.504 -0.604 25449 6166 1 13 . 1 1 12 12 VAL CA C 12 60.200 60.200 60.094 0.106 25449 6167 1 13 . 1 1 12 12 VAL CB C 12 33.100 33.100 35.506 -2.406 25449 6168 1 13 . 1 1 12 12 VAL H H 12 8.380 8.380 7.445 0.935 25449 6169 1 13 . 1 1 13 13 GLY N N 13 111.800 111.800 111.151 0.649 25449 6170 1 13 . 1 1 13 13 GLY C C 13 173.800 173.800 173.774 0.026 25449 6171 1 13 . 1 1 13 13 GLY CA C 13 43.400 43.400 43.887 -0.487 25449 6172 1 13 . 1 1 13 13 GLY H H 13 9.150 9.150 8.498 0.652 25449 6173 1 13 . 1 1 14 14 GLY N N 14 107.600 107.600 106.884 0.716 25449 6174 1 13 . 1 1 14 14 GLY C C 14 175.400 175.400 173.825 1.575 25449 6175 1 13 . 1 1 14 14 GLY CA C 14 45.800 45.800 44.831 0.969 25449 6176 1 13 . 1 1 14 14 GLY H H 14 8.260 8.260 8.439 -0.179 25449 6177 1 13 . 1 1 15 15 ILE N N 15 111.100 111.100 122.614 -11.514 25449 6178 1 13 . 1 1 15 15 ILE HA H 15 4.040 4.040 4.291 -0.251 25449 6179 1 13 . 1 1 15 15 ILE C C 15 175.500 175.500 175.676 -0.176 25449 6180 1 13 . 1 1 15 15 ILE CA C 15 60.500 60.500 58.883 1.617 25449 6181 1 13 . 1 1 15 15 ILE CB C 15 38.500 38.500 40.214 -1.714 25449 6182 1 13 . 1 1 15 15 ILE H H 15 6.930 6.930 7.948 -1.018 25449 6183 1 13 . 1 1 16 16 ASP N N 16 122.800 122.800 120.676 2.124 25449 6184 1 13 . 1 1 16 16 ASP HA H 16 4.580 4.580 4.463 0.117 25449 6185 1 13 . 1 1 16 16 ASP C C 16 177.200 177.200 176.605 0.595 25449 6186 1 13 . 1 1 16 16 ASP CA C 16 53.700 53.700 54.783 -1.083 25449 6187 1 13 . 1 1 16 16 ASP CB C 16 42.500 42.500 41.542 0.958 25449 6188 1 13 . 1 1 16 16 ASP H H 16 8.320 8.320 8.776 -0.456 25449 6189 1 13 . 1 1 17 17 GLU N N 17 119.600 119.600 115.114 4.486 25449 6190 1 13 . 1 1 17 17 GLU HA H 17 4.140 4.140 4.199 -0.059 25449 6191 1 13 . 1 1 17 17 GLU C C 17 176.800 176.800 176.534 0.266 25449 6192 1 13 . 1 1 17 17 GLU CA C 17 58.600 58.600 57.211 1.389 25449 6193 1 13 . 1 1 17 17 GLU CB C 17 29.800 29.800 29.220 0.580 25449 6194 1 13 . 1 1 17 17 GLU H H 17 8.830 8.830 8.711 0.119 25449 6195 1 13 . 1 1 18 18 THR N N 18 111.300 111.300 113.845 -2.545 25449 6196 1 13 . 1 1 18 18 THR HA H 18 4.250 4.250 4.570 -0.320 25449 6197 1 13 . 1 1 18 18 THR C C 18 175.200 175.200 174.068 1.132 25449 6198 1 13 . 1 1 18 18 THR CA C 18 62.600 62.600 60.997 1.603 25449 6199 1 13 . 1 1 18 18 THR CB C 18 69.600 69.600 68.861 0.739 25449 6200 1 13 . 1 1 18 18 THR H H 18 8.740 8.740 7.712 1.028 25449 6201 1 13 . 1 1 19 19 ILE N N 19 123.300 123.300 119.643 3.657 25449 6202 1 13 . 1 1 19 19 ILE HA H 19 3.880 3.880 4.385 -0.505 25449 6203 1 13 . 1 1 19 19 ILE C C 19 174.300 174.300 174.791 -0.491 25449 6204 1 13 . 1 1 19 19 ILE CA C 19 59.900 59.900 59.026 0.874 25449 6205 1 13 . 1 1 19 19 ILE CB C 19 35.600 35.600 39.397 -3.797 25449 6206 1 13 . 1 1 19 19 ILE H H 19 7.220 7.220 7.374 -0.154 25449 6207 1 13 . 1 1 20 20 ASP N N 20 125.600 125.600 122.283 3.317 25449 6208 1 13 . 1 1 20 20 ASP HA H 20 4.640 4.640 4.829 -0.189 25449 6209 1 13 . 1 1 20 20 ASP C C 20 175.300 175.300 176.350 -1.050 25449 6210 1 13 . 1 1 20 20 ASP CA C 20 51.500 51.500 52.934 -1.434 25449 6211 1 13 . 1 1 20 20 ASP CB C 20 43.000 43.000 43.656 -0.656 25449 6212 1 13 . 1 1 20 20 ASP H H 20 7.790 7.790 8.017 -0.227 25449 6213 1 13 . 1 1 21 21 GLU N N 21 118.400 118.400 122.653 -4.253 25449 6214 1 13 . 1 1 21 21 GLU HA H 21 3.630 3.630 3.966 -0.336 25449 6215 1 13 . 1 1 21 21 GLU C C 21 177.900 177.900 178.304 -0.404 25449 6216 1 13 . 1 1 21 21 GLU CA C 21 60.900 60.900 60.433 0.467 25449 6217 1 13 . 1 1 21 21 GLU CB C 21 29.200 29.200 29.871 -0.671 25449 6218 1 13 . 1 1 21 21 GLU H H 21 9.220 9.220 9.004 0.216 25449 6219 1 13 . 1 1 22 22 LYS N N 22 119.700 119.700 117.678 2.022 25449 6220 1 13 . 1 1 22 22 LYS HA H 22 4.060 4.060 4.182 -0.122 25449 6221 1 13 . 1 1 22 22 LYS C C 22 178.500 178.500 178.899 -0.399 25449 6222 1 13 . 1 1 22 22 LYS CA C 22 59.300 59.300 58.673 0.627 25449 6223 1 13 . 1 1 22 22 LYS CB C 22 31.800 31.800 31.745 0.055 25449 6224 1 13 . 1 1 22 22 LYS H H 22 8.040 8.040 8.449 -0.409 25449 6225 1 13 . 1 1 23 23 SER N N 23 114.900 114.900 116.808 -1.908 25449 6226 1 13 . 1 1 23 23 SER HA H 23 4.300 4.300 4.261 0.039 25449 6227 1 13 . 1 1 23 23 SER C C 23 177.600 177.600 176.198 1.402 25449 6228 1 13 . 1 1 23 23 SER CA C 23 61.800 61.800 61.386 0.414 25449 6229 1 13 . 1 1 23 23 SER CB C 23 62.900 62.900 62.755 0.145 25449 6230 1 13 . 1 1 23 23 SER H H 23 8.240 8.240 8.025 0.215 25449 6231 1 13 . 1 1 24 24 LEU N N 24 118.800 118.800 121.393 -2.593 25449 6232 1 13 . 1 1 24 24 LEU HA H 24 4.180 4.180 4.122 0.058 25449 6233 1 13 . 1 1 24 24 LEU C C 24 178.700 178.700 178.773 -0.073 25449 6234 1 13 . 1 1 24 24 LEU CA C 24 57.300 57.300 57.142 0.158 25449 6235 1 13 . 1 1 24 24 LEU CB C 24 42.100 42.100 41.479 0.621 25449 6236 1 13 . 1 1 24 24 LEU H H 24 7.750 7.750 7.473 0.277 25449 6237 1 13 . 1 1 25 25 TYR N N 25 123.200 123.200 121.011 2.189 25449 6238 1 13 . 1 1 25 25 TYR HA H 25 3.630 3.630 4.059 -0.429 25449 6239 1 13 . 1 1 25 25 TYR C C 25 178.600 178.600 177.258 1.342 25449 6240 1 13 . 1 1 25 25 TYR CA C 25 63.200 63.200 61.843 1.357 25449 6241 1 13 . 1 1 25 25 TYR CB C 25 38.200 38.200 38.571 -0.371 25449 6242 1 13 . 1 1 25 25 TYR H H 25 8.970 8.970 7.608 1.362 25449 6243 1 13 . 1 1 26 26 ASP N N 26 119.800 119.800 118.576 1.224 25449 6244 1 13 . 1 1 26 26 ASP HA H 26 4.270 4.270 4.495 -0.225 25449 6245 1 13 . 1 1 26 26 ASP C C 26 177.900 177.900 178.244 -0.344 25449 6246 1 13 . 1 1 26 26 ASP CA C 26 57.700 57.700 57.620 0.080 25449 6247 1 13 . 1 1 26 26 ASP CB C 26 40.000 40.000 40.983 -0.983 25449 6248 1 13 . 1 1 26 26 ASP H H 26 8.510 8.510 7.815 0.695 25449 6249 1 13 . 1 1 27 27 ILE N N 27 114.700 114.700 119.773 -5.073 25449 6250 1 13 . 1 1 27 27 ILE HA H 27 3.960 3.960 3.865 0.095 25449 6251 1 13 . 1 1 27 27 ILE C C 27 177.700 177.700 177.804 -0.104 25449 6252 1 13 . 1 1 27 27 ILE CA C 27 63.300 63.300 65.044 -1.744 25449 6253 1 13 . 1 1 27 27 ILE CB C 27 39.000 39.000 38.232 0.768 25449 6254 1 13 . 1 1 27 27 ILE H H 27 7.320 7.320 7.562 -0.242 25449 6255 1 13 . 1 1 28 28 PHE N N 28 116.900 116.900 117.279 -0.379 25449 6256 1 13 . 1 1 28 28 PHE HA H 28 4.370 4.370 4.532 -0.162 25449 6257 1 13 . 1 1 28 28 PHE C C 28 179.900 179.900 176.913 2.987 25449 6258 1 13 . 1 1 28 28 PHE CA C 28 62.300 62.300 59.230 3.070 25449 6259 1 13 . 1 1 28 28 PHE CB C 28 37.300 37.300 38.372 -1.072 25449 6260 1 13 . 1 1 28 28 PHE H H 28 8.650 8.650 8.157 0.493 25449 6261 1 13 . 1 1 29 29 SER N N 29 120.100 120.100 112.058 8.042 25449 6262 1 13 . 1 1 29 29 SER HA H 29 4.410 4.410 4.735 -0.325 25449 6263 1 13 . 1 1 29 29 SER C C 29 175.600 175.600 175.341 0.259 25449 6264 1 13 . 1 1 29 29 SER CA C 29 61.300 61.300 59.150 2.150 25449 6265 1 13 . 1 1 29 29 SER CB C 29 62.200 62.200 63.109 -0.909 25449 6266 1 13 . 1 1 29 29 SER H H 29 8.880 8.880 7.711 1.169 25449 6267 1 13 . 1 1 30 30 SER N N 30 116.200 116.200 117.114 -0.914 25449 6268 1 13 . 1 1 30 30 SER HA H 30 3.940 3.940 4.219 -0.279 25449 6269 1 13 . 1 1 30 30 SER C C 30 174.900 174.900 175.247 -0.347 25449 6270 1 13 . 1 1 30 30 SER CA C 30 60.400 60.400 60.662 -0.262 25449 6271 1 13 . 1 1 30 30 SER CB C 30 62.400 62.400 63.227 -0.827 25449 6272 1 13 . 1 1 30 30 SER H H 30 7.270 7.270 7.967 -0.697 25449 6273 1 13 . 1 1 31 31 PHE N N 31 115.600 115.600 121.555 -5.955 25449 6274 1 13 . 1 1 31 31 PHE HA H 31 4.280 4.280 4.576 -0.296 25449 6275 1 13 . 1 1 31 31 PHE C C 31 174.100 174.100 176.289 -2.189 25449 6276 1 13 . 1 1 31 31 PHE CA C 31 58.900 58.900 59.425 -0.525 25449 6277 1 13 . 1 1 31 31 PHE CB C 31 39.300 39.300 40.373 -1.073 25449 6278 1 13 . 1 1 31 31 PHE H H 31 6.980 6.980 7.795 -0.815 25449 6279 1 13 . 1 1 32 32 GLY N N 32 104.900 104.900 106.748 -1.848 25449 6280 1 13 . 1 1 32 32 GLY C C 32 171.600 171.600 172.457 -0.857 25449 6281 1 13 . 1 1 32 32 GLY CA C 32 44.300 44.300 44.269 0.031 25449 6282 1 13 . 1 1 32 32 GLY H H 32 7.300 7.300 7.619 -0.319 25449 6283 1 13 . 1 1 33 33 ASP N N 33 116.100 116.100 125.810 -9.710 25449 6284 1 13 . 1 1 33 33 ASP HA H 33 4.510 4.510 4.471 0.039 25449 6285 1 13 . 1 1 33 33 ASP C C 33 176.800 176.800 174.506 2.294 25449 6286 1 13 . 1 1 33 33 ASP CA C 33 55.400 55.400 55.593 -0.193 25449 6287 1 13 . 1 1 33 33 ASP CB C 33 40.600 40.600 42.101 -1.501 25449 6288 1 13 . 1 1 33 33 ASP H H 33 8.120 8.120 8.374 -0.254 25449 6289 1 13 . 1 1 34 34 ILE N N 34 126.400 126.400 118.959 7.441 25449 6290 1 13 . 1 1 34 34 ILE HA H 34 3.850 3.850 4.123 -0.273 25449 6291 1 13 . 1 1 34 34 ILE C C 34 176.200 176.200 176.282 -0.082 25449 6292 1 13 . 1 1 34 34 ILE CA C 34 60.200 60.200 58.118 2.082 25449 6293 1 13 . 1 1 34 34 ILE CB C 34 39.900 39.900 39.088 0.812 25449 6294 1 13 . 1 1 34 34 ILE H H 34 8.670 8.670 8.208 0.462 25449 6295 1 13 . 1 1 35 35 ARG N N 35 128.900 128.900 126.004 2.896 25449 6296 1 13 . 1 1 35 35 ARG HA H 35 4.160 4.160 4.200 -0.040 25449 6297 1 13 . 1 1 35 35 ARG C C 35 175.600 175.600 176.061 -0.461 25449 6298 1 13 . 1 1 35 35 ARG CA C 35 57.500 57.500 58.266 -0.766 25449 6299 1 13 . 1 1 35 35 ARG CB C 35 31.700 31.700 31.149 0.551 25449 6300 1 13 . 1 1 35 35 ARG H H 35 9.320 9.320 8.391 0.929 25449 6301 1 13 . 1 1 36 36 ASN N N 36 114.300 114.300 114.567 -0.267 25449 6302 1 13 . 1 1 36 36 ASN HA H 36 4.710 4.710 4.804 -0.094 25449 6303 1 13 . 1 1 36 36 ASN C C 36 172.000 172.000 172.897 -0.897 25449 6304 1 13 . 1 1 36 36 ASN CA C 36 53.500 53.500 53.088 0.412 25449 6305 1 13 . 1 1 36 36 ASN CB C 36 42.600 42.600 40.515 2.085 25449 6306 1 13 . 1 1 36 36 ASN H H 36 7.620 7.620 8.087 -0.467 25449 6307 1 13 . 1 1 37 37 ILE N N 37 122.700 122.700 122.452 0.248 25449 6308 1 13 . 1 1 37 37 ILE HA H 37 4.770 4.770 4.397 0.373 25449 6309 1 13 . 1 1 37 37 ILE C C 37 173.300 173.300 174.836 -1.536 25449 6310 1 13 . 1 1 37 37 ILE CA C 37 60.600 60.600 61.295 -0.695 25449 6311 1 13 . 1 1 37 37 ILE CB C 37 41.200 41.200 40.226 0.974 25449 6312 1 13 . 1 1 37 37 ILE H H 37 8.030 8.030 8.534 -0.504 25449 6313 1 13 . 1 1 38 38 GLU N N 38 126.700 126.700 129.370 -2.670 25449 6314 1 13 . 1 1 38 38 GLU HA H 38 4.660 4.660 4.573 0.087 25449 6315 1 13 . 1 1 38 38 GLU C C 38 174.800 174.800 174.602 0.198 25449 6316 1 13 . 1 1 38 38 GLU CA C 38 54.400 54.400 55.837 -1.437 25449 6317 1 13 . 1 1 38 38 GLU CB C 38 33.400 33.400 30.611 2.789 25449 6318 1 13 . 1 1 38 38 GLU H H 38 8.870 8.870 8.623 0.247 25449 6319 1 13 . 1 1 39 39 VAL N N 39 126.400 126.400 126.767 -0.367 25449 6320 1 13 . 1 1 39 39 VAL CA C 39 58.700 58.700 59.221 -0.520 25449 6321 1 13 . 1 1 39 39 VAL CB C 39 32.600 32.600 33.376 -0.776 25449 6322 1 13 . 1 1 39 39 VAL H H 39 8.970 8.970 8.403 0.567 25449 6323 1 13 . 1 1 40 40 PRO HA H 40 4.230 4.230 4.475 -0.245 25449 6324 1 13 . 1 1 40 40 PRO C C 40 176.300 176.300 175.299 1.001 25449 6325 1 13 . 1 1 40 40 PRO CA C 40 63.300 63.300 62.912 0.388 25449 6326 1 13 . 1 1 40 40 PRO CB C 40 32.500 32.500 32.207 0.293 25449 6327 1 13 . 1 1 41 41 LEU N N 41 120.700 120.700 123.422 -2.722 25449 6328 1 13 . 1 1 41 41 LEU HA H 41 4.520 4.520 4.780 -0.260 25449 6329 1 13 . 1 1 41 41 LEU C C 41 177.900 177.900 175.876 2.024 25449 6330 1 13 . 1 1 41 41 LEU CA C 41 53.100 53.100 53.729 -0.629 25449 6331 1 13 . 1 1 41 41 LEU CB C 41 44.300 44.300 46.025 -1.725 25449 6332 1 13 . 1 1 41 41 LEU H H 41 8.520 8.520 8.225 0.295 25449 6333 1 13 . 1 1 42 42 ASN N N 42 121.400 121.400 120.940 0.460 25449 6334 1 13 . 1 1 42 42 ASN HA H 42 4.560 4.560 4.986 -0.426 25449 6335 1 13 . 1 1 42 42 ASN C C 42 176.700 176.700 176.107 0.593 25449 6336 1 13 . 1 1 42 42 ASN CA C 42 52.900 52.900 52.275 0.625 25449 6337 1 13 . 1 1 42 42 ASN CB C 42 39.000 39.000 40.069 -1.069 25449 6338 1 13 . 1 1 42 42 ASN H H 42 8.740 8.740 8.425 0.315 25449 6339 1 13 . 1 1 43 43 MET N N 43 125.500 125.500 124.164 1.336 25449 6340 1 13 . 1 1 43 43 MET HA H 43 4.210 4.210 4.398 -0.188 25449 6341 1 13 . 1 1 43 43 MET C C 43 177.200 177.200 176.746 0.454 25449 6342 1 13 . 1 1 43 43 MET CA C 43 57.100 57.100 57.365 -0.265 25449 6343 1 13 . 1 1 43 43 MET CB C 43 31.600 31.600 32.430 -0.830 25449 6344 1 13 . 1 1 43 43 MET H H 43 9.080 9.080 8.975 0.105 25449 6345 1 13 . 1 1 44 44 THR N N 44 114.400 114.400 114.028 0.372 25449 6346 1 13 . 1 1 44 44 THR HA H 44 4.160 4.160 4.356 -0.196 25449 6347 1 13 . 1 1 44 44 THR C C 44 175.900 175.900 175.805 0.095 25449 6348 1 13 . 1 1 44 44 THR CA C 44 65.200 65.200 64.155 1.045 25449 6349 1 13 . 1 1 44 44 THR CB C 44 68.700 68.700 69.258 -0.558 25449 6350 1 13 . 1 1 44 44 THR H H 44 8.590 8.590 8.042 0.548 25449 6351 1 13 . 1 1 45 45 THR N N 45 110.300 110.300 111.442 -1.142 25449 6352 1 13 . 1 1 45 45 THR HA H 45 4.160 4.160 4.395 -0.235 25449 6353 1 13 . 1 1 45 45 THR C C 45 175.500 175.500 174.382 1.118 25449 6354 1 13 . 1 1 45 45 THR CA C 45 62.000 62.000 61.696 0.304 25449 6355 1 13 . 1 1 45 45 THR CB C 45 70.000 70.000 69.864 0.136 25449 6356 1 13 . 1 1 45 45 THR H H 45 7.610 7.610 7.606 0.004 25449 6357 1 13 . 1 1 46 46 LYS N N 46 115.700 115.700 120.282 -4.582 25449 6358 1 13 . 1 1 46 46 LYS HA H 46 3.720 3.720 3.883 -0.163 25449 6359 1 13 . 1 1 46 46 LYS C C 46 174.600 174.600 175.119 -0.519 25449 6360 1 13 . 1 1 46 46 LYS CA C 46 57.600 57.600 57.405 0.195 25449 6361 1 13 . 1 1 46 46 LYS CB C 46 28.900 28.900 30.816 -1.915 25449 6362 1 13 . 1 1 46 46 LYS H H 46 8.460 8.460 8.268 0.192 25449 6363 1 13 . 1 1 47 47 LYS N N 47 117.100 117.100 117.722 -0.622 25449 6364 1 13 . 1 1 47 47 LYS HA H 47 4.680 4.680 4.153 0.527 25449 6365 1 13 . 1 1 47 47 LYS C C 47 176.300 176.300 177.087 -0.787 25449 6366 1 13 . 1 1 47 47 LYS CA C 47 54.000 54.000 56.695 -2.695 25449 6367 1 13 . 1 1 47 47 LYS CB C 47 35.100 35.100 32.559 2.541 25449 6368 1 13 . 1 1 47 47 LYS H H 47 7.610 7.610 7.415 0.195 25449 6369 1 13 . 1 1 48 48 ASN N N 48 117.700 117.700 120.294 -2.594 25449 6370 1 13 . 1 1 48 48 ASN HA H 48 4.700 4.700 4.766 -0.066 25449 6371 1 13 . 1 1 48 48 ASN C C 48 174.000 174.000 175.519 -1.519 25449 6372 1 13 . 1 1 48 48 ASN CA C 48 53.600 53.600 52.515 1.085 25449 6373 1 13 . 1 1 48 48 ASN CB C 48 37.700 37.700 39.189 -1.489 25449 6374 1 13 . 1 1 48 48 ASN H H 48 8.740 8.740 8.823 -0.083 25449 6375 1 13 . 1 1 49 49 ARG N N 49 116.800 116.800 117.250 -0.450 25449 6376 1 13 . 1 1 49 49 ARG HA H 49 4.350 4.350 4.043 0.307 25449 6377 1 13 . 1 1 49 49 ARG C C 49 177.500 177.500 176.427 1.073 25449 6378 1 13 . 1 1 49 49 ARG CA C 49 55.600 55.600 56.575 -0.975 25449 6379 1 13 . 1 1 49 49 ARG CB C 49 31.600 31.600 27.149 4.451 25449 6380 1 13 . 1 1 49 49 ARG H H 49 8.530 8.530 8.068 0.462 25449 6381 1 13 . 1 1 50 50 GLY N N 50 108.300 108.300 106.000 2.300 25449 6382 1 13 . 1 1 50 50 GLY C C 50 173.500 173.500 173.127 0.373 25449 6383 1 13 . 1 1 50 50 GLY CA C 50 45.800 45.800 45.433 0.367 25449 6384 1 13 . 1 1 50 50 GLY H H 50 8.900 8.900 8.659 0.241 25449 6385 1 13 . 1 1 51 51 PHE N N 51 113.900 113.900 116.265 -2.365 25449 6386 1 13 . 1 1 51 51 PHE HA H 51 5.470 5.470 4.833 0.637 25449 6387 1 13 . 1 1 51 51 PHE C C 51 172.000 172.000 172.532 -0.532 25449 6388 1 13 . 1 1 51 51 PHE CA C 51 55.000 55.000 55.295 -0.295 25449 6389 1 13 . 1 1 51 51 PHE CB C 51 42.700 42.700 40.959 1.741 25449 6390 1 13 . 1 1 51 51 PHE H H 51 6.910 6.910 7.370 -0.460 25449 6391 1 13 . 1 1 52 52 ALA N N 52 120.500 120.500 125.282 -4.782 25449 6392 1 13 . 1 1 52 52 ALA HA H 52 4.630 4.630 4.689 -0.059 25449 6393 1 13 . 1 1 52 52 ALA C C 52 173.900 173.900 174.647 -0.747 25449 6394 1 13 . 1 1 52 52 ALA CA C 52 50.200 50.200 50.386 -0.186 25449 6395 1 13 . 1 1 52 52 ALA CB C 52 25.100 25.100 22.361 2.739 25449 6396 1 13 . 1 1 52 52 ALA H H 52 8.810 8.810 7.847 0.963 25449 6397 1 13 . 1 1 53 53 PHE N N 53 115.000 115.000 120.065 -5.065 25449 6398 1 13 . 1 1 53 53 PHE HA H 53 5.660 5.660 4.743 0.917 25449 6399 1 13 . 1 1 53 53 PHE C C 53 175.600 175.600 175.166 0.434 25449 6400 1 13 . 1 1 53 53 PHE CA C 53 56.200 56.200 57.887 -1.687 25449 6401 1 13 . 1 1 53 53 PHE CB C 53 42.400 42.400 41.743 0.657 25449 6402 1 13 . 1 1 53 53 PHE H H 53 8.730 8.730 8.341 0.389 25449 6403 1 13 . 1 1 54 54 VAL N N 54 122.300 122.300 121.826 0.474 25449 6404 1 13 . 1 1 54 54 VAL HA H 54 4.100 4.100 4.271 -0.171 25449 6405 1 13 . 1 1 54 54 VAL C C 54 173.000 173.000 174.201 -1.201 25449 6406 1 13 . 1 1 54 54 VAL CA C 54 61.700 61.700 61.476 0.224 25449 6407 1 13 . 1 1 54 54 VAL CB C 54 34.400 34.400 34.654 -0.253 25449 6408 1 13 . 1 1 54 54 VAL H H 54 9.060 9.060 8.552 0.508 25449 6409 1 13 . 1 1 55 55 GLU N N 55 127.300 127.300 126.456 0.844 25449 6410 1 13 . 1 1 55 55 GLU HA H 55 5.160 5.160 4.699 0.461 25449 6411 1 13 . 1 1 55 55 GLU C C 55 175.900 175.900 175.597 0.303 25449 6412 1 13 . 1 1 55 55 GLU CA C 55 54.000 54.000 55.022 -1.022 25449 6413 1 13 . 1 1 55 55 GLU CB C 55 31.700 31.700 31.610 0.090 25449 6414 1 13 . 1 1 55 55 GLU H H 55 8.860 8.860 8.277 0.583 25449 6415 1 13 . 1 1 56 56 TYR N N 56 127.500 127.500 122.959 4.541 25449 6416 1 13 . 1 1 56 56 TYR HA H 56 4.520 4.520 4.556 -0.036 25449 6417 1 13 . 1 1 56 56 TYR C C 56 175.000 175.000 176.665 -1.665 25449 6418 1 13 . 1 1 56 56 TYR CA C 56 59.700 59.700 58.902 0.798 25449 6419 1 13 . 1 1 56 56 TYR CB C 56 40.200 40.200 41.011 -0.811 25449 6420 1 13 . 1 1 56 56 TYR H H 56 9.470 9.470 7.919 1.551 25449 6421 1 13 . 1 1 57 57 VAL N N 57 119.200 119.200 119.126 0.074 25449 6422 1 13 . 1 1 57 57 VAL HA H 57 3.570 3.570 4.034 -0.464 25449 6423 1 13 . 1 1 57 57 VAL C C 57 177.000 177.000 175.308 1.692 25449 6424 1 13 . 1 1 57 57 VAL CA C 57 66.300 66.300 63.582 2.718 25449 6425 1 13 . 1 1 57 57 VAL CB C 57 32.000 32.000 32.550 -0.550 25449 6426 1 13 . 1 1 57 57 VAL H H 57 7.800 7.800 8.381 -0.581 25449 6427 1 13 . 1 1 58 58 GLU N N 58 118.500 118.500 119.293 -0.793 25449 6428 1 13 . 1 1 58 58 GLU HA H 58 4.780 4.780 4.585 0.195 25449 6429 1 13 . 1 1 58 58 GLU C C 58 177.500 177.500 176.356 1.144 25449 6430 1 13 . 1 1 58 58 GLU CA C 58 53.800 53.800 55.114 -1.314 25449 6431 1 13 . 1 1 58 58 GLU CB C 58 30.500 30.500 30.873 -0.373 25449 6432 1 13 . 1 1 58 58 GLU H H 58 9.530 9.530 8.036 1.494 25449 6433 1 13 . 1 1 59 59 VAL N N 59 125.200 125.200 124.289 0.911 25449 6434 1 13 . 1 1 59 59 VAL HA H 59 3.530 3.530 3.888 -0.358 25449 6435 1 13 . 1 1 59 59 VAL C C 59 177.600 177.600 177.069 0.531 25449 6436 1 13 . 1 1 59 59 VAL CA C 59 66.100 66.100 65.035 1.065 25449 6437 1 13 . 1 1 59 59 VAL CB C 59 31.700 31.700 32.271 -0.571 25449 6438 1 13 . 1 1 59 59 VAL H H 59 8.650 8.650 8.756 -0.106 25449 6439 1 13 . 1 1 60 60 ASP N N 60 118.500 118.500 119.559 -1.059 25449 6440 1 13 . 1 1 60 60 ASP HA H 60 4.220 4.220 4.488 -0.268 25449 6441 1 13 . 1 1 60 60 ASP C C 60 178.300 178.300 177.939 0.361 25449 6442 1 13 . 1 1 60 60 ASP CA C 60 57.600 57.600 57.946 -0.346 25449 6443 1 13 . 1 1 60 60 ASP CB C 60 40.500 40.500 40.327 0.173 25449 6444 1 13 . 1 1 60 60 ASP H H 60 8.970 8.970 8.738 0.232 25449 6445 1 13 . 1 1 61 61 ASP N N 61 119.900 119.900 120.553 -0.653 25449 6446 1 13 . 1 1 61 61 ASP HA H 61 4.360 4.360 4.363 -0.003 25449 6447 1 13 . 1 1 61 61 ASP C C 61 176.800 176.800 178.373 -1.573 25449 6448 1 13 . 1 1 61 61 ASP CA C 61 56.900 56.900 57.523 -0.623 25449 6449 1 13 . 1 1 61 61 ASP CB C 61 39.800 39.800 40.515 -0.715 25449 6450 1 13 . 1 1 61 61 ASP H H 61 6.920 6.920 8.581 -1.661 25449 6451 1 13 . 1 1 62 62 ALA N N 62 122.700 122.700 122.166 0.534 25449 6452 1 13 . 1 1 62 62 ALA HA H 62 3.380 3.380 3.201 0.179 25449 6453 1 13 . 1 1 62 62 ALA C C 62 171.600 171.600 179.155 -7.555 25449 6454 1 13 . 1 1 62 62 ALA CA C 62 55.100 55.100 54.867 0.233 25449 6455 1 13 . 1 1 62 62 ALA CB C 62 18.200 18.200 18.158 0.042 25449 6456 1 13 . 1 1 62 62 ALA H H 62 6.910 6.910 7.864 -0.954 25449 6457 1 13 . 1 1 63 63 LYS N N 63 116.200 116.200 118.165 -1.965 25449 6458 1 13 . 1 1 63 63 LYS HA H 63 4.190 4.190 3.867 0.323 25449 6459 1 13 . 1 1 63 63 LYS C C 63 179.200 179.200 179.386 -0.186 25449 6460 1 13 . 1 1 63 63 LYS CA C 63 59.300 59.300 59.510 -0.210 25449 6461 1 13 . 1 1 63 63 LYS CB C 63 32.600 32.600 32.416 0.184 25449 6462 1 13 . 1 1 63 63 LYS H H 63 8.020 8.020 7.437 0.583 25449 6463 1 13 . 1 1 64 64 HIS N N 64 117.400 117.400 117.161 0.239 25449 6464 1 13 . 1 1 64 64 HIS HA H 64 4.310 4.310 4.263 0.047 25449 6465 1 13 . 1 1 64 64 HIS CA C 64 58.000 58.000 59.558 -1.558 25449 6466 1 13 . 1 1 64 64 HIS CB C 64 29.100 29.100 29.480 -0.380 25449 6467 1 13 . 1 1 64 64 HIS H H 64 7.460 7.460 7.791 -0.331 25449 6468 1 13 . 1 1 65 65 ALA N N 65 123.700 123.700 122.449 1.251 25449 6469 1 13 . 1 1 65 65 ALA HA H 65 2.170 2.170 3.806 -1.636 25449 6470 1 13 . 1 1 65 65 ALA C C 65 178.700 178.700 178.990 -0.290 25449 6471 1 13 . 1 1 65 65 ALA CA C 65 54.800 54.800 54.968 -0.168 25449 6472 1 13 . 1 1 65 65 ALA CB C 65 19.400 19.400 18.597 0.803 25449 6473 1 13 . 1 1 65 65 ALA H H 65 8.190 8.190 7.928 0.262 25449 6474 1 13 . 1 1 66 66 LEU N N 66 119.800 119.800 118.611 1.189 25449 6475 1 13 . 1 1 66 66 LEU HA H 66 3.430 3.430 3.979 -0.549 25449 6476 1 13 . 1 1 66 66 LEU C C 66 178.700 178.700 178.847 -0.147 25449 6477 1 13 . 1 1 66 66 LEU CA C 66 59.700 59.700 57.619 2.081 25449 6478 1 13 . 1 1 66 66 LEU CB C 66 41.100 41.100 41.318 -0.218 25449 6479 1 13 . 1 1 66 66 LEU H H 66 8.340 8.340 7.374 0.966 25449 6480 1 13 . 1 1 67 67 TYR N N 67 116.200 116.200 119.689 -3.489 25449 6481 1 13 . 1 1 67 67 TYR HA H 67 4.010 4.010 4.101 -0.091 25449 6482 1 13 . 1 1 67 67 TYR C C 67 177.700 177.700 177.587 0.113 25449 6483 1 13 . 1 1 67 67 TYR CA C 67 60.500 60.500 62.214 -1.714 25449 6484 1 13 . 1 1 67 67 TYR CB C 67 38.100 38.100 38.590 -0.490 25449 6485 1 13 . 1 1 67 67 TYR H H 67 7.760 7.760 7.632 0.128 25449 6486 1 13 . 1 1 68 68 ASN N N 68 113.900 113.900 115.911 -2.011 25449 6487 1 13 . 1 1 68 68 ASN HA H 68 4.430 4.430 4.548 -0.118 25449 6488 1 13 . 1 1 68 68 ASN C C 68 176.400 176.400 175.904 0.496 25449 6489 1 13 . 1 1 68 68 ASN CA C 68 55.600 55.600 54.664 0.936 25449 6490 1 13 . 1 1 68 68 ASN CB C 68 41.400 41.400 38.708 2.692 25449 6491 1 13 . 1 1 68 68 ASN H H 68 7.480 7.480 7.718 -0.238 25449 6492 1 13 . 1 1 69 69 MET N N 69 114.900 114.900 116.208 -1.308 25449 6493 1 13 . 1 1 69 69 MET HA H 69 4.760 4.760 4.470 0.290 25449 6494 1 13 . 1 1 69 69 MET C C 69 177.000 177.000 176.188 0.812 25449 6495 1 13 . 1 1 69 69 MET CA C 69 53.500 53.500 53.941 -0.441 25449 6496 1 13 . 1 1 69 69 MET CB C 69 31.100 31.100 31.776 -0.676 25449 6497 1 13 . 1 1 69 69 MET H H 69 8.310 8.310 7.337 0.973 25449 6498 1 13 . 1 1 70 70 ASN N N 70 117.700 117.700 116.632 1.068 25449 6499 1 13 . 1 1 70 70 ASN HA H 70 4.370 4.370 4.581 -0.211 25449 6500 1 13 . 1 1 70 70 ASN C C 70 176.400 176.400 175.649 0.751 25449 6501 1 13 . 1 1 70 70 ASN CA C 70 56.100 56.100 54.416 1.684 25449 6502 1 13 . 1 1 70 70 ASN CB C 70 38.700 38.700 38.370 0.330 25449 6503 1 13 . 1 1 70 70 ASN H H 70 7.660 7.660 7.565 0.095 25449 6504 1 13 . 1 1 71 71 ASN N N 71 121.500 121.500 116.991 4.509 25449 6505 1 13 . 1 1 71 71 ASN HA H 71 4.510 4.510 4.638 -0.129 25449 6506 1 13 . 1 1 71 71 ASN C C 71 173.300 173.300 174.711 -1.411 25449 6507 1 13 . 1 1 71 71 ASN CA C 71 55.800 55.800 52.812 2.988 25449 6508 1 13 . 1 1 71 71 ASN CB C 71 38.200 38.200 38.462 -0.262 25449 6509 1 13 . 1 1 71 71 ASN H H 71 8.600 8.600 8.002 0.598 25449 6510 1 13 . 1 1 72 72 PHE N N 72 122.300 122.300 122.201 0.099 25449 6511 1 13 . 1 1 72 72 PHE HA H 72 4.190 4.190 4.510 -0.320 25449 6512 1 13 . 1 1 72 72 PHE C C 72 174.100 174.100 173.742 0.358 25449 6513 1 13 . 1 1 72 72 PHE CA C 72 58.700 58.700 56.790 1.910 25449 6514 1 13 . 1 1 72 72 PHE CB C 72 41.300 41.300 40.165 1.135 25449 6515 1 13 . 1 1 72 72 PHE H H 72 7.870 7.870 7.593 0.277 25449 6516 1 13 . 1 1 73 73 GLU N N 73 126.100 126.100 127.933 -1.833 25449 6517 1 13 . 1 1 73 73 GLU HA H 73 4.230 4.230 4.416 -0.186 25449 6518 1 13 . 1 1 73 73 GLU C C 73 173.000 173.000 174.247 -1.247 25449 6519 1 13 . 1 1 73 73 GLU CA C 73 55.600 55.600 54.536 1.064 25449 6520 1 13 . 1 1 73 73 GLU CB C 73 30.300 30.300 31.312 -1.012 25449 6521 1 13 . 1 1 73 73 GLU H H 73 7.690 7.690 8.265 -0.575 25449 6522 1 13 . 1 1 74 74 LEU N N 74 128.900 128.900 125.767 3.133 25449 6523 1 13 . 1 1 74 74 LEU HA H 74 4.520 4.520 4.234 0.286 25449 6524 1 13 . 1 1 74 74 LEU C C 74 175.500 175.500 175.958 -0.458 25449 6525 1 13 . 1 1 74 74 LEU CA C 74 53.300 53.300 54.387 -1.087 25449 6526 1 13 . 1 1 74 74 LEU CB C 74 44.600 44.600 43.059 1.541 25449 6527 1 13 . 1 1 74 74 LEU H H 74 8.620 8.620 8.070 0.550 25449 6528 1 13 . 1 1 75 75 ASN N N 75 126.800 126.800 122.286 4.514 25449 6529 1 13 . 1 1 75 75 ASN HA H 75 4.210 4.210 4.455 -0.245 25449 6530 1 13 . 1 1 75 75 ASN C C 75 175.600 175.600 175.818 -0.218 25449 6531 1 13 . 1 1 75 75 ASN CA C 75 53.900 53.900 53.714 0.186 25449 6532 1 13 . 1 1 75 75 ASN CB C 75 36.900 36.900 37.006 -0.106 25449 6533 1 13 . 1 1 75 75 ASN H H 75 9.520 9.520 9.222 0.298 25449 6534 1 13 . 1 1 76 76 GLY N N 76 102.300 102.300 103.987 -1.687 25449 6535 1 13 . 1 1 76 76 GLY C C 76 173.600 173.600 173.915 -0.315 25449 6536 1 13 . 1 1 76 76 GLY CA C 76 45.300 45.300 45.642 -0.342 25449 6537 1 13 . 1 1 76 76 GLY H H 76 8.500 8.500 8.514 -0.014 25449 6538 1 13 . 1 1 77 77 LYS N N 77 120.800 120.800 119.140 1.660 25449 6539 1 13 . 1 1 77 77 LYS HA H 77 4.570 4.570 4.482 0.088 25449 6540 1 13 . 1 1 77 77 LYS C C 77 175.100 175.100 174.439 0.661 25449 6541 1 13 . 1 1 77 77 LYS CA C 77 54.200 54.200 54.610 -0.410 25449 6542 1 13 . 1 1 77 77 LYS CB C 77 34.500 34.500 35.013 -0.513 25449 6543 1 13 . 1 1 77 77 LYS H H 77 7.580 7.580 7.296 0.284 25449 6544 1 13 . 1 1 78 78 ARG N N 78 123.300 123.300 123.321 -0.021 25449 6545 1 13 . 1 1 78 78 ARG HA H 78 4.480 4.480 4.469 0.011 25449 6546 1 13 . 1 1 78 78 ARG C C 78 176.600 176.600 175.696 0.904 25449 6547 1 13 . 1 1 78 78 ARG CA C 78 55.300 55.300 54.197 1.103 25449 6548 1 13 . 1 1 78 78 ARG CB C 78 30.300 30.300 30.683 -0.383 25449 6549 1 13 . 1 1 78 78 ARG H H 78 8.580 8.580 8.566 0.014 25449 6550 1 13 . 1 1 79 79 ILE N N 79 120.100 120.100 123.424 -3.324 25449 6551 1 13 . 1 1 79 79 ILE HA H 79 4.700 4.700 4.430 0.270 25449 6552 1 13 . 1 1 79 79 ILE C C 79 175.200 175.200 174.983 0.217 25449 6553 1 13 . 1 1 79 79 ILE CA C 79 60.000 60.000 60.205 -0.204 25449 6554 1 13 . 1 1 79 79 ILE CB C 79 39.400 39.400 39.121 0.279 25449 6555 1 13 . 1 1 79 79 ILE H H 79 8.450 8.450 8.385 0.065 25449 6556 1 13 . 1 1 80 80 HIS N N 80 119.900 119.900 125.226 -5.326 25449 6557 1 13 . 1 1 80 80 HIS HA H 80 5.190 5.190 4.681 0.509 25449 6558 1 13 . 1 1 80 80 HIS C C 80 173.600 173.600 174.496 -0.896 25449 6559 1 13 . 1 1 80 80 HIS CA C 80 53.800 53.800 56.178 -2.378 25449 6560 1 13 . 1 1 80 80 HIS CB C 80 31.300 31.300 30.033 1.267 25449 6561 1 13 . 1 1 80 80 HIS H H 80 8.580 8.580 8.683 -0.103 25449 6562 1 13 . 1 1 81 81 VAL N N 81 123.800 123.800 125.022 -1.222 25449 6563 1 13 . 1 1 81 81 VAL HA H 81 5.280 5.280 4.329 0.951 25449 6564 1 13 . 1 1 81 81 VAL C C 81 173.600 173.600 174.741 -1.141 25449 6565 1 13 . 1 1 81 81 VAL CA C 81 60.200 60.200 61.615 -1.415 25449 6566 1 13 . 1 1 81 81 VAL CB C 81 35.000 35.000 32.848 2.152 25449 6567 1 13 . 1 1 81 81 VAL H H 81 8.650 8.650 8.274 0.376 25449 6568 1 13 . 1 1 82 82 ASN N N 82 121.100 121.100 123.383 -2.283 25449 6569 1 13 . 1 1 82 82 ASN HA H 82 4.750 4.750 4.986 -0.236 25449 6570 1 13 . 1 1 82 82 ASN C C 82 174.000 174.000 173.499 0.501 25449 6571 1 13 . 1 1 82 82 ASN CA C 82 51.900 51.900 51.824 0.076 25449 6572 1 13 . 1 1 82 82 ASN CB C 82 42.900 42.900 41.490 1.410 25449 6573 1 13 . 1 1 82 82 ASN H H 82 8.890 8.890 8.507 0.383 25449 6574 1 13 . 1 1 83 83 TYR N N 83 120.400 120.400 120.559 -0.159 25449 6575 1 13 . 1 1 83 83 TYR HA H 83 4.800 4.800 4.475 0.325 25449 6576 1 13 . 1 1 83 83 TYR C C 83 177.100 177.100 176.178 0.922 25449 6577 1 13 . 1 1 83 83 TYR CA C 83 59.400 59.400 59.852 -0.452 25449 6578 1 13 . 1 1 83 83 TYR CB C 83 38.700 38.700 38.183 0.517 25449 6579 1 13 . 1 1 83 83 TYR H H 83 8.480 8.480 8.663 -0.183 25449 6580 1 13 . 1 1 84 84 SER N N 84 118.000 118.000 120.293 -2.293 25449 6581 1 13 . 1 1 84 84 SER HA H 84 4.520 4.520 4.495 0.025 25449 6582 1 13 . 1 1 84 84 SER C C 84 174.100 174.100 173.874 0.226 25449 6583 1 13 . 1 1 84 84 SER CA C 84 57.700 57.700 58.010 -0.310 25449 6584 1 13 . 1 1 84 84 SER CB C 84 64.300 64.300 64.195 0.105 25449 6585 1 13 . 1 1 84 84 SER H H 84 9.040 9.040 8.669 0.371 25449 6586 1 13 . 1 1 85 85 LYS N N 85 125.300 125.300 126.944 -1.644 25449 6587 1 13 . 1 1 85 85 LYS HA H 85 4.440 4.440 4.074 0.366 25449 6588 1 13 . 1 1 85 85 LYS C C 85 175.600 175.600 176.364 -0.764 25449 6589 1 13 . 1 1 85 85 LYS CA C 85 56.300 56.300 57.000 -0.700 25449 6590 1 13 . 1 1 85 85 LYS CB C 85 33.700 33.700 31.727 1.973 25449 6591 1 13 . 1 1 85 85 LYS H H 85 8.410 8.410 8.707 -0.297 25449 6592 1 14 . 1 1 -1 -1 SER N N -1 115.600 115.600 118.585 -2.985 25449 6593 1 14 . 1 1 -1 -1 SER HA H -1 4.410 4.410 4.451 -0.041 25449 6594 1 14 . 1 1 -1 -1 SER C C -1 172.000 172.000 174.164 -2.164 25449 6595 1 14 . 1 1 -1 -1 SER CA C -1 58.200 58.200 57.184 1.016 25449 6596 1 14 . 1 1 -1 -1 SER CB C -1 63.900 63.900 62.574 1.326 25449 6597 1 14 . 1 1 -1 -1 SER H H -1 8.670 8.670 8.382 0.288 25449 6598 1 14 . 1 1 0 0 HIS N N 0 121.200 121.200 119.291 1.909 25449 6599 1 14 . 1 1 0 0 HIS HA H 0 4.590 4.590 4.159 0.431 25449 6600 1 14 . 1 1 0 0 HIS C C 0 174.800 174.800 175.018 -0.218 25449 6601 1 14 . 1 1 0 0 HIS CA C 0 56.100 56.100 56.960 -0.860 25449 6602 1 14 . 1 1 0 0 HIS CB C 0 29.900 29.900 29.330 0.570 25449 6603 1 14 . 1 1 0 0 HIS H H 0 8.730 8.730 8.004 0.726 25449 6604 1 14 . 1 1 1 1 MET N N 1 121.800 121.800 121.612 0.188 25449 6605 1 14 . 1 1 1 1 MET HA H 1 4.370 4.370 4.454 -0.084 25449 6606 1 14 . 1 1 1 1 MET C C 1 176.300 176.300 177.198 -0.898 25449 6607 1 14 . 1 1 1 1 MET CA C 1 55.700 55.700 56.121 -0.421 25449 6608 1 14 . 1 1 1 1 MET CB C 1 32.800 32.800 31.478 1.322 25449 6609 1 14 . 1 1 1 1 MET H H 1 8.450 8.450 8.640 -0.190 25449 6610 1 14 . 1 1 2 2 SER N N 2 116.700 116.700 122.918 -6.218 25449 6611 1 14 . 1 1 2 2 SER HA H 2 4.370 4.370 4.596 -0.226 25449 6612 1 14 . 1 1 2 2 SER C C 2 174.200 174.200 174.669 -0.469 25449 6613 1 14 . 1 1 2 2 SER CA C 2 58.400 58.400 58.276 0.124 25449 6614 1 14 . 1 1 2 2 SER CB C 2 63.800 63.800 61.865 1.935 25449 6615 1 14 . 1 1 2 2 SER H H 2 8.410 8.410 8.724 -0.314 25449 6616 1 14 . 1 1 3 3 ASP N N 3 122.100 122.100 121.936 0.164 25449 6617 1 14 . 1 1 3 3 ASP HA H 3 4.550 4.550 4.508 0.042 25449 6618 1 14 . 1 1 3 3 ASP C C 3 176.100 176.100 176.153 -0.053 25449 6619 1 14 . 1 1 3 3 ASP CA C 3 54.500 54.500 55.189 -0.689 25449 6620 1 14 . 1 1 3 3 ASP CB C 3 41.200 41.200 41.141 0.059 25449 6621 1 14 . 1 1 3 3 ASP H H 3 8.340 8.340 8.223 0.117 25449 6622 1 14 . 1 1 4 4 ASN N N 4 119.100 119.100 118.058 1.042 25449 6623 1 14 . 1 1 4 4 ASN HA H 4 4.580 4.580 4.755 -0.175 25449 6624 1 14 . 1 1 4 4 ASN C C 4 174.900 174.900 174.376 0.524 25449 6625 1 14 . 1 1 4 4 ASN CA C 4 53.700 53.700 53.103 0.597 25449 6626 1 14 . 1 1 4 4 ASN CB C 4 38.900 38.900 40.928 -2.028 25449 6627 1 14 . 1 1 4 4 ASN H H 4 8.420 8.420 8.242 0.178 25449 6628 1 14 . 1 1 5 5 ASN N N 5 118.400 118.400 120.429 -2.029 25449 6629 1 14 . 1 1 5 5 ASN HA H 5 4.540 4.540 4.518 0.022 25449 6630 1 14 . 1 1 5 5 ASN C C 5 173.900 173.900 174.271 -0.371 25449 6631 1 14 . 1 1 5 5 ASN CA C 5 53.200 53.200 54.173 -0.973 25449 6632 1 14 . 1 1 5 5 ASN CB C 5 38.700 38.700 38.830 -0.130 25449 6633 1 14 . 1 1 5 5 ASN H H 5 8.340 8.340 8.670 -0.330 25449 6634 1 14 . 1 1 6 6 ALA N N 6 122.100 122.100 118.529 3.571 25449 6635 1 14 . 1 1 6 6 ALA HA H 6 2.740 2.740 3.744 -1.004 25449 6636 1 14 . 1 1 6 6 ALA C C 6 177.000 177.000 175.784 1.216 25449 6637 1 14 . 1 1 6 6 ALA CA C 6 52.300 52.300 52.470 -0.170 25449 6638 1 14 . 1 1 6 6 ALA CB C 6 20.000 20.000 18.697 1.303 25449 6639 1 14 . 1 1 6 6 ALA H H 6 7.590 7.590 7.168 0.422 25449 6640 1 14 . 1 1 7 7 THR N N 7 112.700 112.700 118.647 -5.947 25449 6641 1 14 . 1 1 7 7 THR HA H 7 4.390 4.390 4.417 -0.027 25449 6642 1 14 . 1 1 7 7 THR C C 7 171.700 171.700 175.597 -3.897 25449 6643 1 14 . 1 1 7 7 THR CA C 7 59.800 59.800 60.794 -0.994 25449 6644 1 14 . 1 1 7 7 THR CB C 7 70.600 70.600 70.325 0.275 25449 6645 1 14 . 1 1 7 7 THR H H 7 6.840 6.840 8.039 -1.199 25449 6646 1 14 . 1 1 8 8 ASP N N 8 114.600 114.600 121.612 -7.012 25449 6647 1 14 . 1 1 8 8 ASP HA H 8 4.490 4.490 4.262 0.228 25449 6648 1 14 . 1 1 8 8 ASP C C 8 174.300 174.300 174.308 -0.008 25449 6649 1 14 . 1 1 8 8 ASP CA C 8 53.500 53.500 55.887 -2.387 25449 6650 1 14 . 1 1 8 8 ASP CB C 8 39.800 39.800 39.773 0.027 25449 6651 1 14 . 1 1 8 8 ASP H H 8 8.170 8.170 8.782 -0.612 25449 6652 1 14 . 1 1 9 9 ILE N N 9 117.800 117.800 118.436 -0.636 25449 6653 1 14 . 1 1 9 9 ILE HA H 9 4.810 4.810 4.388 0.422 25449 6654 1 14 . 1 1 9 9 ILE C C 9 174.700 174.700 174.066 0.634 25449 6655 1 14 . 1 1 9 9 ILE CA C 9 60.600 60.600 60.653 -0.053 25449 6656 1 14 . 1 1 9 9 ILE CB C 9 40.300 40.300 40.173 0.127 25449 6657 1 14 . 1 1 9 9 ILE H H 9 7.890 7.890 7.468 0.422 25449 6658 1 14 . 1 1 10 10 LEU N N 10 125.300 125.300 126.483 -1.183 25449 6659 1 14 . 1 1 10 10 LEU HA H 10 4.960 4.960 4.836 0.124 25449 6660 1 14 . 1 1 10 10 LEU C C 10 176.100 176.100 174.748 1.352 25449 6661 1 14 . 1 1 10 10 LEU CA C 10 52.900 52.900 54.097 -1.197 25449 6662 1 14 . 1 1 10 10 LEU CB C 10 43.100 43.100 45.278 -2.178 25449 6663 1 14 . 1 1 10 10 LEU H H 10 9.370 9.370 8.359 1.011 25449 6664 1 14 . 1 1 11 11 PHE N N 11 124.300 124.300 126.881 -2.581 25449 6665 1 14 . 1 1 11 11 PHE HA H 11 4.670 4.670 4.801 -0.131 25449 6666 1 14 . 1 1 11 11 PHE C C 11 173.400 173.400 173.264 0.136 25449 6667 1 14 . 1 1 11 11 PHE CA C 11 57.000 57.000 56.230 0.770 25449 6668 1 14 . 1 1 11 11 PHE CB C 11 40.700 40.700 41.081 -0.381 25449 6669 1 14 . 1 1 11 11 PHE H H 11 9.310 9.310 8.551 0.759 25449 6670 1 14 . 1 1 12 12 VAL N N 12 128.300 128.300 127.539 0.761 25449 6671 1 14 . 1 1 12 12 VAL HA H 12 4.420 4.420 4.596 -0.176 25449 6672 1 14 . 1 1 12 12 VAL C C 12 173.900 173.900 174.473 -0.573 25449 6673 1 14 . 1 1 12 12 VAL CA C 12 60.200 60.200 60.801 -0.601 25449 6674 1 14 . 1 1 12 12 VAL CB C 12 33.100 33.100 34.351 -1.251 25449 6675 1 14 . 1 1 12 12 VAL H H 12 8.380 8.380 7.904 0.476 25449 6676 1 14 . 1 1 13 13 GLY N N 13 111.800 111.800 112.707 -0.907 25449 6677 1 14 . 1 1 13 13 GLY C C 13 173.800 173.800 173.212 0.588 25449 6678 1 14 . 1 1 13 13 GLY CA C 13 43.400 43.400 43.321 0.079 25449 6679 1 14 . 1 1 13 13 GLY H H 13 9.150 9.150 7.808 1.342 25449 6680 1 14 . 1 1 14 14 GLY N N 14 107.600 107.600 108.438 -0.838 25449 6681 1 14 . 1 1 14 14 GLY C C 14 175.400 175.400 173.908 1.492 25449 6682 1 14 . 1 1 14 14 GLY CA C 14 45.800 45.800 44.970 0.830 25449 6683 1 14 . 1 1 14 14 GLY H H 14 8.260 8.260 8.127 0.133 25449 6684 1 14 . 1 1 15 15 ILE N N 15 111.100 111.100 117.194 -6.094 25449 6685 1 14 . 1 1 15 15 ILE HA H 15 4.040 4.040 4.364 -0.324 25449 6686 1 14 . 1 1 15 15 ILE C C 15 175.500 175.500 175.065 0.435 25449 6687 1 14 . 1 1 15 15 ILE CA C 15 60.500 60.500 59.258 1.242 25449 6688 1 14 . 1 1 15 15 ILE CB C 15 38.500 38.500 39.353 -0.853 25449 6689 1 14 . 1 1 15 15 ILE H H 15 6.930 6.930 7.243 -0.313 25449 6690 1 14 . 1 1 16 16 ASP N N 16 122.800 122.800 122.720 0.080 25449 6691 1 14 . 1 1 16 16 ASP HA H 16 4.580 4.580 4.621 -0.041 25449 6692 1 14 . 1 1 16 16 ASP C C 16 177.200 177.200 176.850 0.350 25449 6693 1 14 . 1 1 16 16 ASP CA C 16 53.700 53.700 53.468 0.232 25449 6694 1 14 . 1 1 16 16 ASP CB C 16 42.500 42.500 42.958 -0.458 25449 6695 1 14 . 1 1 16 16 ASP H H 16 8.320 8.320 8.581 -0.261 25449 6696 1 14 . 1 1 17 17 GLU N N 17 119.600 119.600 120.828 -1.228 25449 6697 1 14 . 1 1 17 17 GLU HA H 17 4.140 4.140 4.175 -0.035 25449 6698 1 14 . 1 1 17 17 GLU C C 17 176.800 176.800 176.324 0.476 25449 6699 1 14 . 1 1 17 17 GLU CA C 17 58.600 58.600 57.866 0.734 25449 6700 1 14 . 1 1 17 17 GLU CB C 17 29.800 29.800 29.217 0.583 25449 6701 1 14 . 1 1 17 17 GLU H H 17 8.830 8.830 8.668 0.162 25449 6702 1 14 . 1 1 18 18 THR N N 18 111.300 111.300 115.664 -4.364 25449 6703 1 14 . 1 1 18 18 THR HA H 18 4.250 4.250 4.429 -0.179 25449 6704 1 14 . 1 1 18 18 THR C C 18 175.200 175.200 173.788 1.412 25449 6705 1 14 . 1 1 18 18 THR CA C 18 62.600 62.600 61.156 1.444 25449 6706 1 14 . 1 1 18 18 THR CB C 18 69.600 69.600 69.055 0.545 25449 6707 1 14 . 1 1 18 18 THR H H 18 8.740 8.740 7.789 0.951 25449 6708 1 14 . 1 1 19 19 ILE N N 19 123.300 123.300 119.604 3.696 25449 6709 1 14 . 1 1 19 19 ILE HA H 19 3.880 3.880 4.581 -0.701 25449 6710 1 14 . 1 1 19 19 ILE C C 19 174.300 174.300 174.199 0.101 25449 6711 1 14 . 1 1 19 19 ILE CA C 19 59.900 59.900 58.648 1.252 25449 6712 1 14 . 1 1 19 19 ILE CB C 19 35.600 35.600 38.940 -3.340 25449 6713 1 14 . 1 1 19 19 ILE H H 19 7.220 7.220 7.243 -0.023 25449 6714 1 14 . 1 1 20 20 ASP N N 20 125.600 125.600 121.742 3.858 25449 6715 1 14 . 1 1 20 20 ASP HA H 20 4.640 4.640 4.800 -0.160 25449 6716 1 14 . 1 1 20 20 ASP C C 20 175.300 175.300 176.487 -1.187 25449 6717 1 14 . 1 1 20 20 ASP CA C 20 51.500 51.500 52.978 -1.478 25449 6718 1 14 . 1 1 20 20 ASP CB C 20 43.000 43.000 44.226 -1.226 25449 6719 1 14 . 1 1 20 20 ASP H H 20 7.790 7.790 8.078 -0.288 25449 6720 1 14 . 1 1 21 21 GLU N N 21 118.400 118.400 120.893 -2.493 25449 6721 1 14 . 1 1 21 21 GLU HA H 21 3.630 3.630 4.024 -0.395 25449 6722 1 14 . 1 1 21 21 GLU C C 21 177.900 177.900 177.736 0.164 25449 6723 1 14 . 1 1 21 21 GLU CA C 21 60.900 60.900 60.178 0.723 25449 6724 1 14 . 1 1 21 21 GLU CB C 21 29.200 29.200 30.015 -0.815 25449 6725 1 14 . 1 1 21 21 GLU H H 21 9.220 9.220 8.894 0.326 25449 6726 1 14 . 1 1 22 22 LYS N N 22 119.700 119.700 118.182 1.518 25449 6727 1 14 . 1 1 22 22 LYS HA H 22 4.060 4.060 4.305 -0.245 25449 6728 1 14 . 1 1 22 22 LYS C C 22 178.500 178.500 178.387 0.113 25449 6729 1 14 . 1 1 22 22 LYS CA C 22 59.300 59.300 58.350 0.950 25449 6730 1 14 . 1 1 22 22 LYS CB C 22 31.800 31.800 31.888 -0.088 25449 6731 1 14 . 1 1 22 22 LYS H H 22 8.040 8.040 8.380 -0.340 25449 6732 1 14 . 1 1 23 23 SER N N 23 114.900 114.900 117.038 -2.138 25449 6733 1 14 . 1 1 23 23 SER HA H 23 4.300 4.300 4.243 0.057 25449 6734 1 14 . 1 1 23 23 SER C C 23 177.600 177.600 176.431 1.169 25449 6735 1 14 . 1 1 23 23 SER CA C 23 61.800 61.800 61.117 0.682 25449 6736 1 14 . 1 1 23 23 SER CB C 23 62.900 62.900 62.816 0.084 25449 6737 1 14 . 1 1 23 23 SER H H 23 8.240 8.240 8.054 0.186 25449 6738 1 14 . 1 1 24 24 LEU N N 24 118.800 118.800 121.050 -2.250 25449 6739 1 14 . 1 1 24 24 LEU HA H 24 4.180 4.180 4.165 0.015 25449 6740 1 14 . 1 1 24 24 LEU C C 24 178.700 178.700 178.871 -0.171 25449 6741 1 14 . 1 1 24 24 LEU CA C 24 57.300 57.300 56.890 0.410 25449 6742 1 14 . 1 1 24 24 LEU CB C 24 42.100 42.100 41.560 0.539 25449 6743 1 14 . 1 1 24 24 LEU H H 24 7.750 7.750 7.502 0.248 25449 6744 1 14 . 1 1 25 25 TYR N N 25 123.200 123.200 120.480 2.720 25449 6745 1 14 . 1 1 25 25 TYR HA H 25 3.630 3.630 4.079 -0.449 25449 6746 1 14 . 1 1 25 25 TYR C C 25 178.600 178.600 177.303 1.297 25449 6747 1 14 . 1 1 25 25 TYR CA C 25 63.200 63.200 61.228 1.972 25449 6748 1 14 . 1 1 25 25 TYR CB C 25 38.200 38.200 38.402 -0.202 25449 6749 1 14 . 1 1 25 25 TYR H H 25 8.970 8.970 7.905 1.065 25449 6750 1 14 . 1 1 26 26 ASP N N 26 119.800 119.800 117.534 2.266 25449 6751 1 14 . 1 1 26 26 ASP HA H 26 4.270 4.270 4.532 -0.262 25449 6752 1 14 . 1 1 26 26 ASP C C 26 177.900 177.900 177.888 0.012 25449 6753 1 14 . 1 1 26 26 ASP CA C 26 57.700 57.700 57.112 0.588 25449 6754 1 14 . 1 1 26 26 ASP CB C 26 40.000 40.000 41.150 -1.150 25449 6755 1 14 . 1 1 26 26 ASP H H 26 8.510 8.510 7.822 0.688 25449 6756 1 14 . 1 1 27 27 ILE N N 27 114.700 114.700 118.262 -3.562 25449 6757 1 14 . 1 1 27 27 ILE HA H 27 3.960 3.960 3.939 0.021 25449 6758 1 14 . 1 1 27 27 ILE C C 27 177.700 177.700 178.083 -0.383 25449 6759 1 14 . 1 1 27 27 ILE CA C 27 63.300 63.300 64.299 -0.999 25449 6760 1 14 . 1 1 27 27 ILE CB C 27 39.000 39.000 38.465 0.535 25449 6761 1 14 . 1 1 27 27 ILE H H 27 7.320 7.320 7.580 -0.260 25449 6762 1 14 . 1 1 28 28 PHE N N 28 116.900 116.900 117.900 -1.000 25449 6763 1 14 . 1 1 28 28 PHE HA H 28 4.370 4.370 4.520 -0.150 25449 6764 1 14 . 1 1 28 28 PHE C C 28 179.900 179.900 176.728 3.172 25449 6765 1 14 . 1 1 28 28 PHE CA C 28 62.300 62.300 59.408 2.892 25449 6766 1 14 . 1 1 28 28 PHE CB C 28 37.300 37.300 38.738 -1.438 25449 6767 1 14 . 1 1 28 28 PHE H H 28 8.650 8.650 7.939 0.711 25449 6768 1 14 . 1 1 29 29 SER N N 29 120.100 120.100 112.445 7.655 25449 6769 1 14 . 1 1 29 29 SER HA H 29 4.410 4.410 4.659 -0.249 25449 6770 1 14 . 1 1 29 29 SER C C 29 175.600 175.600 175.337 0.263 25449 6771 1 14 . 1 1 29 29 SER CA C 29 61.300 61.300 59.200 2.100 25449 6772 1 14 . 1 1 29 29 SER CB C 29 62.200 62.200 62.938 -0.737 25449 6773 1 14 . 1 1 29 29 SER H H 29 8.880 8.880 7.851 1.029 25449 6774 1 14 . 1 1 30 30 SER N N 30 116.200 116.200 117.366 -1.166 25449 6775 1 14 . 1 1 30 30 SER HA H 30 3.940 3.940 4.263 -0.323 25449 6776 1 14 . 1 1 30 30 SER C C 30 174.900 174.900 175.910 -1.010 25449 6777 1 14 . 1 1 30 30 SER CA C 30 60.400 60.400 60.761 -0.360 25449 6778 1 14 . 1 1 30 30 SER CB C 30 62.400 62.400 63.286 -0.886 25449 6779 1 14 . 1 1 30 30 SER H H 30 7.270 7.270 7.874 -0.604 25449 6780 1 14 . 1 1 31 31 PHE N N 31 115.600 115.600 121.102 -5.502 25449 6781 1 14 . 1 1 31 31 PHE HA H 31 4.280 4.280 4.589 -0.309 25449 6782 1 14 . 1 1 31 31 PHE C C 31 174.100 174.100 176.211 -2.111 25449 6783 1 14 . 1 1 31 31 PHE CA C 31 58.900 58.900 59.140 -0.240 25449 6784 1 14 . 1 1 31 31 PHE CB C 31 39.300 39.300 40.151 -0.851 25449 6785 1 14 . 1 1 31 31 PHE H H 31 6.980 6.980 8.027 -1.047 25449 6786 1 14 . 1 1 32 32 GLY N N 32 104.900 104.900 107.388 -2.488 25449 6787 1 14 . 1 1 32 32 GLY C C 32 171.600 171.600 172.846 -1.246 25449 6788 1 14 . 1 1 32 32 GLY CA C 32 44.300 44.300 44.406 -0.106 25449 6789 1 14 . 1 1 32 32 GLY H H 32 7.300 7.300 7.684 -0.384 25449 6790 1 14 . 1 1 33 33 ASP N N 33 116.100 116.100 125.601 -9.501 25449 6791 1 14 . 1 1 33 33 ASP HA H 33 4.510 4.510 4.541 -0.031 25449 6792 1 14 . 1 1 33 33 ASP C C 33 176.800 176.800 174.716 2.084 25449 6793 1 14 . 1 1 33 33 ASP CA C 33 55.400 55.400 55.254 0.146 25449 6794 1 14 . 1 1 33 33 ASP CB C 33 40.600 40.600 42.468 -1.868 25449 6795 1 14 . 1 1 33 33 ASP H H 33 8.120 8.120 8.485 -0.365 25449 6796 1 14 . 1 1 34 34 ILE N N 34 126.400 126.400 119.306 7.094 25449 6797 1 14 . 1 1 34 34 ILE HA H 34 3.850 3.850 4.095 -0.245 25449 6798 1 14 . 1 1 34 34 ILE C C 34 176.200 176.200 176.205 -0.005 25449 6799 1 14 . 1 1 34 34 ILE CA C 34 60.200 60.200 58.526 1.674 25449 6800 1 14 . 1 1 34 34 ILE CB C 34 39.900 39.900 39.562 0.338 25449 6801 1 14 . 1 1 34 34 ILE H H 34 8.670 8.670 8.007 0.663 25449 6802 1 14 . 1 1 35 35 ARG N N 35 128.900 128.900 125.837 3.063 25449 6803 1 14 . 1 1 35 35 ARG HA H 35 4.160 4.160 4.169 -0.009 25449 6804 1 14 . 1 1 35 35 ARG C C 35 175.600 175.600 175.860 -0.260 25449 6805 1 14 . 1 1 35 35 ARG CA C 35 57.500 57.500 58.199 -0.699 25449 6806 1 14 . 1 1 35 35 ARG CB C 35 31.700 31.700 31.153 0.547 25449 6807 1 14 . 1 1 35 35 ARG H H 35 9.320 9.320 8.387 0.933 25449 6808 1 14 . 1 1 36 36 ASN N N 36 114.300 114.300 114.523 -0.223 25449 6809 1 14 . 1 1 36 36 ASN HA H 36 4.710 4.710 4.754 -0.044 25449 6810 1 14 . 1 1 36 36 ASN C C 36 172.000 172.000 172.814 -0.814 25449 6811 1 14 . 1 1 36 36 ASN CA C 36 53.500 53.500 53.302 0.198 25449 6812 1 14 . 1 1 36 36 ASN CB C 36 42.600 42.600 40.386 2.215 25449 6813 1 14 . 1 1 36 36 ASN H H 36 7.620 7.620 8.096 -0.476 25449 6814 1 14 . 1 1 37 37 ILE N N 37 122.700 122.700 122.887 -0.187 25449 6815 1 14 . 1 1 37 37 ILE HA H 37 4.770 4.770 4.374 0.396 25449 6816 1 14 . 1 1 37 37 ILE C C 37 173.300 173.300 174.514 -1.214 25449 6817 1 14 . 1 1 37 37 ILE CA C 37 60.600 60.600 60.755 -0.155 25449 6818 1 14 . 1 1 37 37 ILE CB C 37 41.200 41.200 40.382 0.818 25449 6819 1 14 . 1 1 37 37 ILE H H 37 8.030 8.030 8.503 -0.473 25449 6820 1 14 . 1 1 38 38 GLU N N 38 126.700 126.700 128.751 -2.051 25449 6821 1 14 . 1 1 38 38 GLU HA H 38 4.660 4.660 4.577 0.083 25449 6822 1 14 . 1 1 38 38 GLU C C 38 174.800 174.800 174.625 0.175 25449 6823 1 14 . 1 1 38 38 GLU CA C 38 54.400 54.400 55.560 -1.160 25449 6824 1 14 . 1 1 38 38 GLU CB C 38 33.400 33.400 30.644 2.756 25449 6825 1 14 . 1 1 38 38 GLU H H 38 8.870 8.870 8.486 0.384 25449 6826 1 14 . 1 1 39 39 VAL N N 39 126.400 126.400 126.712 -0.312 25449 6827 1 14 . 1 1 39 39 VAL CA C 39 58.700 58.700 59.112 -0.412 25449 6828 1 14 . 1 1 39 39 VAL CB C 39 32.600 32.600 33.285 -0.685 25449 6829 1 14 . 1 1 39 39 VAL H H 39 8.970 8.970 8.334 0.636 25449 6830 1 14 . 1 1 40 40 PRO HA H 40 4.230 4.230 4.448 -0.218 25449 6831 1 14 . 1 1 40 40 PRO C C 40 176.300 176.300 175.356 0.944 25449 6832 1 14 . 1 1 40 40 PRO CA C 40 63.300 63.300 62.891 0.409 25449 6833 1 14 . 1 1 40 40 PRO CB C 40 32.500 32.500 32.350 0.150 25449 6834 1 14 . 1 1 41 41 LEU N N 41 120.700 120.700 123.456 -2.756 25449 6835 1 14 . 1 1 41 41 LEU HA H 41 4.520 4.520 4.805 -0.285 25449 6836 1 14 . 1 1 41 41 LEU C C 41 177.900 177.900 175.933 1.967 25449 6837 1 14 . 1 1 41 41 LEU CA C 41 53.100 53.100 54.111 -1.011 25449 6838 1 14 . 1 1 41 41 LEU CB C 41 44.300 44.300 45.536 -1.236 25449 6839 1 14 . 1 1 41 41 LEU H H 41 8.520 8.520 8.245 0.275 25449 6840 1 14 . 1 1 42 42 ASN N N 42 121.400 121.400 121.155 0.245 25449 6841 1 14 . 1 1 42 42 ASN HA H 42 4.560 4.560 5.065 -0.505 25449 6842 1 14 . 1 1 42 42 ASN C C 42 176.700 176.700 176.579 0.121 25449 6843 1 14 . 1 1 42 42 ASN CA C 42 52.900 52.900 52.063 0.837 25449 6844 1 14 . 1 1 42 42 ASN CB C 42 39.000 39.000 40.764 -1.764 25449 6845 1 14 . 1 1 42 42 ASN H H 42 8.740 8.740 8.643 0.097 25449 6846 1 14 . 1 1 43 43 MET N N 43 125.500 125.500 121.213 4.287 25449 6847 1 14 . 1 1 43 43 MET HA H 43 4.210 4.210 4.588 -0.378 25449 6848 1 14 . 1 1 43 43 MET C C 43 177.200 177.200 176.323 0.877 25449 6849 1 14 . 1 1 43 43 MET CA C 43 57.100 57.100 57.518 -0.418 25449 6850 1 14 . 1 1 43 43 MET CB C 43 31.600 31.600 32.329 -0.729 25449 6851 1 14 . 1 1 43 43 MET H H 43 9.080 9.080 8.686 0.394 25449 6852 1 14 . 1 1 44 44 THR N N 44 114.400 114.400 115.633 -1.233 25449 6853 1 14 . 1 1 44 44 THR HA H 44 4.160 4.160 4.328 -0.168 25449 6854 1 14 . 1 1 44 44 THR C C 44 175.900 175.900 175.998 -0.098 25449 6855 1 14 . 1 1 44 44 THR CA C 44 65.200 65.200 64.887 0.313 25449 6856 1 14 . 1 1 44 44 THR CB C 44 68.700 68.700 68.973 -0.273 25449 6857 1 14 . 1 1 44 44 THR H H 44 8.590 8.590 8.042 0.548 25449 6858 1 14 . 1 1 45 45 THR N N 45 110.300 110.300 113.872 -3.572 25449 6859 1 14 . 1 1 45 45 THR HA H 45 4.160 4.160 4.405 -0.245 25449 6860 1 14 . 1 1 45 45 THR C C 45 175.500 175.500 174.010 1.490 25449 6861 1 14 . 1 1 45 45 THR CA C 45 62.000 62.000 61.502 0.498 25449 6862 1 14 . 1 1 45 45 THR CB C 45 70.000 70.000 69.424 0.577 25449 6863 1 14 . 1 1 45 45 THR H H 45 7.610 7.610 7.692 -0.082 25449 6864 1 14 . 1 1 46 46 LYS N N 46 115.700 115.700 121.156 -5.456 25449 6865 1 14 . 1 1 46 46 LYS HA H 46 3.720 3.720 3.948 -0.228 25449 6866 1 14 . 1 1 46 46 LYS C C 46 174.600 174.600 174.991 -0.391 25449 6867 1 14 . 1 1 46 46 LYS CA C 46 57.600 57.600 57.308 0.292 25449 6868 1 14 . 1 1 46 46 LYS CB C 46 28.900 28.900 30.725 -1.825 25449 6869 1 14 . 1 1 46 46 LYS H H 46 8.460 8.460 7.871 0.589 25449 6870 1 14 . 1 1 47 47 LYS N N 47 117.100 117.100 116.514 0.586 25449 6871 1 14 . 1 1 47 47 LYS HA H 47 4.680 4.680 4.166 0.514 25449 6872 1 14 . 1 1 47 47 LYS C C 47 176.300 176.300 177.221 -0.921 25449 6873 1 14 . 1 1 47 47 LYS CA C 47 54.000 54.000 56.219 -2.219 25449 6874 1 14 . 1 1 47 47 LYS CB C 47 35.100 35.100 32.736 2.365 25449 6875 1 14 . 1 1 47 47 LYS H H 47 7.610 7.610 7.926 -0.316 25449 6876 1 14 . 1 1 48 48 ASN N N 48 117.700 117.700 119.596 -1.896 25449 6877 1 14 . 1 1 48 48 ASN HA H 48 4.700 4.700 4.670 0.030 25449 6878 1 14 . 1 1 48 48 ASN C C 48 174.000 174.000 175.438 -1.438 25449 6879 1 14 . 1 1 48 48 ASN CA C 48 53.600 53.600 52.325 1.275 25449 6880 1 14 . 1 1 48 48 ASN CB C 48 37.700 37.700 39.267 -1.567 25449 6881 1 14 . 1 1 48 48 ASN H H 48 8.740 8.740 8.681 0.059 25449 6882 1 14 . 1 1 49 49 ARG N N 49 116.800 116.800 117.271 -0.471 25449 6883 1 14 . 1 1 49 49 ARG HA H 49 4.350 4.350 4.021 0.329 25449 6884 1 14 . 1 1 49 49 ARG C C 49 177.500 177.500 176.488 1.012 25449 6885 1 14 . 1 1 49 49 ARG CA C 49 55.600 55.600 56.459 -0.859 25449 6886 1 14 . 1 1 49 49 ARG CB C 49 31.600 31.600 27.106 4.494 25449 6887 1 14 . 1 1 49 49 ARG H H 49 8.530 8.530 8.495 0.035 25449 6888 1 14 . 1 1 50 50 GLY N N 50 108.300 108.300 106.356 1.944 25449 6889 1 14 . 1 1 50 50 GLY C C 50 173.500 173.500 173.473 0.027 25449 6890 1 14 . 1 1 50 50 GLY CA C 50 45.800 45.800 45.346 0.454 25449 6891 1 14 . 1 1 50 50 GLY H H 50 8.900 8.900 8.765 0.135 25449 6892 1 14 . 1 1 51 51 PHE N N 51 113.900 113.900 116.406 -2.506 25449 6893 1 14 . 1 1 51 51 PHE HA H 51 5.470 5.470 4.534 0.936 25449 6894 1 14 . 1 1 51 51 PHE C C 51 172.000 172.000 171.951 0.049 25449 6895 1 14 . 1 1 51 51 PHE CA C 51 55.000 55.000 56.130 -1.130 25449 6896 1 14 . 1 1 51 51 PHE CB C 51 42.700 42.700 40.518 2.182 25449 6897 1 14 . 1 1 51 51 PHE H H 51 6.910 6.910 7.418 -0.508 25449 6898 1 14 . 1 1 52 52 ALA N N 52 120.500 120.500 125.575 -5.075 25449 6899 1 14 . 1 1 52 52 ALA HA H 52 4.630 4.630 4.590 0.040 25449 6900 1 14 . 1 1 52 52 ALA C C 52 173.900 173.900 174.676 -0.776 25449 6901 1 14 . 1 1 52 52 ALA CA C 52 50.200 50.200 50.932 -0.732 25449 6902 1 14 . 1 1 52 52 ALA CB C 52 25.100 25.100 22.320 2.780 25449 6903 1 14 . 1 1 52 52 ALA H H 52 8.810 8.810 7.842 0.968 25449 6904 1 14 . 1 1 53 53 PHE N N 53 115.000 115.000 120.248 -5.248 25449 6905 1 14 . 1 1 53 53 PHE HA H 53 5.660 5.660 4.722 0.938 25449 6906 1 14 . 1 1 53 53 PHE C C 53 175.600 175.600 175.166 0.434 25449 6907 1 14 . 1 1 53 53 PHE CA C 53 56.200 56.200 58.311 -2.111 25449 6908 1 14 . 1 1 53 53 PHE CB C 53 42.400 42.400 41.273 1.127 25449 6909 1 14 . 1 1 53 53 PHE H H 53 8.730 8.730 8.101 0.629 25449 6910 1 14 . 1 1 54 54 VAL N N 54 122.300 122.300 121.096 1.204 25449 6911 1 14 . 1 1 54 54 VAL HA H 54 4.100 4.100 4.322 -0.222 25449 6912 1 14 . 1 1 54 54 VAL C C 54 173.000 173.000 174.197 -1.197 25449 6913 1 14 . 1 1 54 54 VAL CA C 54 61.700 61.700 61.415 0.285 25449 6914 1 14 . 1 1 54 54 VAL CB C 54 34.400 34.400 33.779 0.621 25449 6915 1 14 . 1 1 54 54 VAL H H 54 9.060 9.060 8.391 0.669 25449 6916 1 14 . 1 1 55 55 GLU N N 55 127.300 127.300 126.518 0.782 25449 6917 1 14 . 1 1 55 55 GLU HA H 55 5.160 5.160 4.728 0.432 25449 6918 1 14 . 1 1 55 55 GLU C C 55 175.900 175.900 175.612 0.288 25449 6919 1 14 . 1 1 55 55 GLU CA C 55 54.000 54.000 54.837 -0.837 25449 6920 1 14 . 1 1 55 55 GLU CB C 55 31.700 31.700 32.332 -0.632 25449 6921 1 14 . 1 1 55 55 GLU H H 55 8.860 8.860 8.226 0.634 25449 6922 1 14 . 1 1 56 56 TYR N N 56 127.500 127.500 124.153 3.347 25449 6923 1 14 . 1 1 56 56 TYR HA H 56 4.520 4.520 4.571 -0.051 25449 6924 1 14 . 1 1 56 56 TYR C C 56 175.000 175.000 176.879 -1.879 25449 6925 1 14 . 1 1 56 56 TYR CA C 56 59.700 59.700 58.362 1.338 25449 6926 1 14 . 1 1 56 56 TYR CB C 56 40.200 40.200 40.569 -0.369 25449 6927 1 14 . 1 1 56 56 TYR H H 56 9.470 9.470 8.072 1.398 25449 6928 1 14 . 1 1 57 57 VAL N N 57 119.200 119.200 121.536 -2.336 25449 6929 1 14 . 1 1 57 57 VAL HA H 57 3.570 3.570 3.914 -0.344 25449 6930 1 14 . 1 1 57 57 VAL C C 57 177.000 177.000 176.722 0.278 25449 6931 1 14 . 1 1 57 57 VAL CA C 57 66.300 66.300 65.240 1.060 25449 6932 1 14 . 1 1 57 57 VAL CB C 57 32.000 32.000 32.121 -0.121 25449 6933 1 14 . 1 1 57 57 VAL H H 57 7.800 7.800 7.934 -0.134 25449 6934 1 14 . 1 1 58 58 GLU N N 58 118.500 118.500 117.435 1.065 25449 6935 1 14 . 1 1 58 58 GLU HA H 58 4.780 4.780 4.580 0.200 25449 6936 1 14 . 1 1 58 58 GLU C C 58 177.500 177.500 177.398 0.102 25449 6937 1 14 . 1 1 58 58 GLU CA C 58 53.800 53.800 55.757 -1.957 25449 6938 1 14 . 1 1 58 58 GLU CB C 58 30.500 30.500 31.023 -0.523 25449 6939 1 14 . 1 1 58 58 GLU H H 58 9.530 9.530 8.162 1.368 25449 6940 1 14 . 1 1 59 59 VAL N N 59 125.200 125.200 122.030 3.170 25449 6941 1 14 . 1 1 59 59 VAL HA H 59 3.530 3.530 4.015 -0.485 25449 6942 1 14 . 1 1 59 59 VAL C C 59 177.600 177.600 176.825 0.775 25449 6943 1 14 . 1 1 59 59 VAL CA C 59 66.100 66.100 64.951 1.149 25449 6944 1 14 . 1 1 59 59 VAL CB C 59 31.700 31.700 32.589 -0.889 25449 6945 1 14 . 1 1 59 59 VAL H H 59 8.650 8.650 8.491 0.159 25449 6946 1 14 . 1 1 60 60 ASP N N 60 118.500 118.500 120.723 -2.223 25449 6947 1 14 . 1 1 60 60 ASP HA H 60 4.220 4.220 4.393 -0.173 25449 6948 1 14 . 1 1 60 60 ASP C C 60 178.300 178.300 177.593 0.707 25449 6949 1 14 . 1 1 60 60 ASP CA C 60 57.600 57.600 57.681 -0.082 25449 6950 1 14 . 1 1 60 60 ASP CB C 60 40.500 40.500 40.730 -0.230 25449 6951 1 14 . 1 1 60 60 ASP H H 60 8.970 8.970 8.611 0.359 25449 6952 1 14 . 1 1 61 61 ASP N N 61 119.900 119.900 119.605 0.295 25449 6953 1 14 . 1 1 61 61 ASP HA H 61 4.360 4.360 4.506 -0.146 25449 6954 1 14 . 1 1 61 61 ASP C C 61 176.800 176.800 178.319 -1.519 25449 6955 1 14 . 1 1 61 61 ASP CA C 61 56.900 56.900 57.298 -0.398 25449 6956 1 14 . 1 1 61 61 ASP CB C 61 39.800 39.800 40.575 -0.775 25449 6957 1 14 . 1 1 61 61 ASP H H 61 6.920 6.920 8.645 -1.725 25449 6958 1 14 . 1 1 62 62 ALA N N 62 122.700 122.700 122.598 0.102 25449 6959 1 14 . 1 1 62 62 ALA HA H 62 3.380 3.380 3.550 -0.170 25449 6960 1 14 . 1 1 62 62 ALA C C 62 171.600 171.600 179.360 -7.760 25449 6961 1 14 . 1 1 62 62 ALA CA C 62 55.100 55.100 54.948 0.152 25449 6962 1 14 . 1 1 62 62 ALA CB C 62 18.200 18.200 18.342 -0.142 25449 6963 1 14 . 1 1 62 62 ALA H H 62 6.910 6.910 7.657 -0.747 25449 6964 1 14 . 1 1 63 63 LYS N N 63 116.200 116.200 118.567 -2.367 25449 6965 1 14 . 1 1 63 63 LYS HA H 63 4.190 4.190 3.990 0.200 25449 6966 1 14 . 1 1 63 63 LYS C C 63 179.200 179.200 179.336 -0.136 25449 6967 1 14 . 1 1 63 63 LYS CA C 63 59.300 59.300 59.138 0.162 25449 6968 1 14 . 1 1 63 63 LYS CB C 63 32.600 32.600 32.010 0.590 25449 6969 1 14 . 1 1 63 63 LYS H H 63 8.020 8.020 7.676 0.344 25449 6970 1 14 . 1 1 64 64 HIS N N 64 117.400 117.400 117.782 -0.382 25449 6971 1 14 . 1 1 64 64 HIS HA H 64 4.310 4.310 4.291 0.019 25449 6972 1 14 . 1 1 64 64 HIS CA C 64 58.000 58.000 59.203 -1.203 25449 6973 1 14 . 1 1 64 64 HIS CB C 64 29.100 29.100 29.486 -0.386 25449 6974 1 14 . 1 1 64 64 HIS H H 64 7.460 7.460 7.553 -0.093 25449 6975 1 14 . 1 1 65 65 ALA N N 65 123.700 123.700 122.392 1.308 25449 6976 1 14 . 1 1 65 65 ALA HA H 65 2.170 2.170 3.891 -1.721 25449 6977 1 14 . 1 1 65 65 ALA C C 65 178.700 178.700 178.491 0.209 25449 6978 1 14 . 1 1 65 65 ALA CA C 65 54.800 54.800 54.780 0.020 25449 6979 1 14 . 1 1 65 65 ALA CB C 65 19.400 19.400 18.832 0.568 25449 6980 1 14 . 1 1 65 65 ALA H H 65 8.190 8.190 7.602 0.588 25449 6981 1 14 . 1 1 66 66 LEU N N 66 119.800 119.800 118.312 1.488 25449 6982 1 14 . 1 1 66 66 LEU HA H 66 3.430 3.430 4.026 -0.596 25449 6983 1 14 . 1 1 66 66 LEU C C 66 178.700 178.700 179.098 -0.398 25449 6984 1 14 . 1 1 66 66 LEU CA C 66 59.700 59.700 57.637 2.063 25449 6985 1 14 . 1 1 66 66 LEU CB C 66 41.100 41.100 41.671 -0.571 25449 6986 1 14 . 1 1 66 66 LEU H H 66 8.340 8.340 7.421 0.919 25449 6987 1 14 . 1 1 67 67 TYR N N 67 116.200 116.200 120.159 -3.959 25449 6988 1 14 . 1 1 67 67 TYR HA H 67 4.010 4.010 4.155 -0.145 25449 6989 1 14 . 1 1 67 67 TYR C C 67 177.700 177.700 177.500 0.200 25449 6990 1 14 . 1 1 67 67 TYR CA C 67 60.500 60.500 62.092 -1.592 25449 6991 1 14 . 1 1 67 67 TYR CB C 67 38.100 38.100 38.440 -0.340 25449 6992 1 14 . 1 1 67 67 TYR H H 67 7.760 7.760 7.896 -0.136 25449 6993 1 14 . 1 1 68 68 ASN N N 68 113.900 113.900 115.425 -1.525 25449 6994 1 14 . 1 1 68 68 ASN HA H 68 4.430 4.430 4.571 -0.141 25449 6995 1 14 . 1 1 68 68 ASN C C 68 176.400 176.400 176.167 0.233 25449 6996 1 14 . 1 1 68 68 ASN CA C 68 55.600 55.600 54.943 0.657 25449 6997 1 14 . 1 1 68 68 ASN CB C 68 41.400 41.400 38.429 2.971 25449 6998 1 14 . 1 1 68 68 ASN H H 68 7.480 7.480 7.856 -0.376 25449 6999 1 14 . 1 1 69 69 MET N N 69 114.900 114.900 115.598 -0.698 25449 7000 1 14 . 1 1 69 69 MET HA H 69 4.760 4.760 4.505 0.256 25449 7001 1 14 . 1 1 69 69 MET C C 69 177.000 177.000 176.988 0.012 25449 7002 1 14 . 1 1 69 69 MET CA C 69 53.500 53.500 54.391 -0.891 25449 7003 1 14 . 1 1 69 69 MET CB C 69 31.100 31.100 32.197 -1.097 25449 7004 1 14 . 1 1 69 69 MET H H 69 8.310 8.310 7.456 0.854 25449 7005 1 14 . 1 1 70 70 ASN N N 70 117.700 117.700 118.734 -1.034 25449 7006 1 14 . 1 1 70 70 ASN HA H 70 4.370 4.370 4.711 -0.341 25449 7007 1 14 . 1 1 70 70 ASN C C 70 176.400 176.400 176.049 0.351 25449 7008 1 14 . 1 1 70 70 ASN CA C 70 56.100 56.100 55.494 0.606 25449 7009 1 14 . 1 1 70 70 ASN CB C 70 38.700 38.700 39.168 -0.468 25449 7010 1 14 . 1 1 70 70 ASN H H 70 7.660 7.660 7.687 -0.027 25449 7011 1 14 . 1 1 71 71 ASN N N 71 121.500 121.500 116.619 4.881 25449 7012 1 14 . 1 1 71 71 ASN HA H 71 4.510 4.510 4.680 -0.170 25449 7013 1 14 . 1 1 71 71 ASN C C 71 173.300 173.300 174.513 -1.213 25449 7014 1 14 . 1 1 71 71 ASN CA C 71 55.800 55.800 53.150 2.650 25449 7015 1 14 . 1 1 71 71 ASN CB C 71 38.200 38.200 38.406 -0.206 25449 7016 1 14 . 1 1 71 71 ASN H H 71 8.600 8.600 8.335 0.265 25449 7017 1 14 . 1 1 72 72 PHE N N 72 122.300 122.300 120.724 1.576 25449 7018 1 14 . 1 1 72 72 PHE HA H 72 4.190 4.190 4.619 -0.429 25449 7019 1 14 . 1 1 72 72 PHE C C 72 174.100 174.100 173.723 0.377 25449 7020 1 14 . 1 1 72 72 PHE CA C 72 58.700 58.700 56.776 1.924 25449 7021 1 14 . 1 1 72 72 PHE CB C 72 41.300 41.300 41.965 -0.665 25449 7022 1 14 . 1 1 72 72 PHE H H 72 7.870 7.870 7.431 0.439 25449 7023 1 14 . 1 1 73 73 GLU N N 73 126.100 126.100 126.162 -0.062 25449 7024 1 14 . 1 1 73 73 GLU HA H 73 4.230 4.230 4.532 -0.302 25449 7025 1 14 . 1 1 73 73 GLU C C 73 173.000 173.000 173.987 -0.987 25449 7026 1 14 . 1 1 73 73 GLU CA C 73 55.600 55.600 54.340 1.260 25449 7027 1 14 . 1 1 73 73 GLU CB C 73 30.300 30.300 32.087 -1.787 25449 7028 1 14 . 1 1 73 73 GLU H H 73 7.690 7.690 7.584 0.106 25449 7029 1 14 . 1 1 74 74 LEU N N 74 128.900 128.900 127.151 1.749 25449 7030 1 14 . 1 1 74 74 LEU HA H 74 4.520 4.520 4.302 0.218 25449 7031 1 14 . 1 1 74 74 LEU C C 74 175.500 175.500 175.800 -0.300 25449 7032 1 14 . 1 1 74 74 LEU CA C 74 53.300 53.300 54.384 -1.084 25449 7033 1 14 . 1 1 74 74 LEU CB C 74 44.600 44.600 42.763 1.837 25449 7034 1 14 . 1 1 74 74 LEU H H 74 8.620 8.620 8.161 0.459 25449 7035 1 14 . 1 1 75 75 ASN N N 75 126.800 126.800 122.011 4.789 25449 7036 1 14 . 1 1 75 75 ASN HA H 75 4.210 4.210 4.490 -0.280 25449 7037 1 14 . 1 1 75 75 ASN C C 75 175.600 175.600 175.513 0.087 25449 7038 1 14 . 1 1 75 75 ASN CA C 75 53.900 53.900 53.895 0.006 25449 7039 1 14 . 1 1 75 75 ASN CB C 75 36.900 36.900 37.245 -0.345 25449 7040 1 14 . 1 1 75 75 ASN H H 75 9.520 9.520 9.062 0.458 25449 7041 1 14 . 1 1 76 76 GLY N N 76 102.300 102.300 102.186 0.114 25449 7042 1 14 . 1 1 76 76 GLY C C 76 173.600 173.600 173.527 0.073 25449 7043 1 14 . 1 1 76 76 GLY CA C 76 45.300 45.300 45.339 -0.039 25449 7044 1 14 . 1 1 76 76 GLY H H 76 8.500 8.500 8.445 0.055 25449 7045 1 14 . 1 1 77 77 LYS N N 77 120.800 120.800 118.409 2.391 25449 7046 1 14 . 1 1 77 77 LYS HA H 77 4.570 4.570 4.501 0.069 25449 7047 1 14 . 1 1 77 77 LYS C C 77 175.100 175.100 174.216 0.884 25449 7048 1 14 . 1 1 77 77 LYS CA C 77 54.200 54.200 54.590 -0.390 25449 7049 1 14 . 1 1 77 77 LYS CB C 77 34.500 34.500 34.833 -0.333 25449 7050 1 14 . 1 1 77 77 LYS H H 77 7.580 7.580 7.561 0.019 25449 7051 1 14 . 1 1 78 78 ARG N N 78 123.300 123.300 124.107 -0.807 25449 7052 1 14 . 1 1 78 78 ARG HA H 78 4.480 4.480 4.454 0.026 25449 7053 1 14 . 1 1 78 78 ARG C C 78 176.600 176.600 175.746 0.854 25449 7054 1 14 . 1 1 78 78 ARG CA C 78 55.300 55.300 55.473 -0.173 25449 7055 1 14 . 1 1 78 78 ARG CB C 78 30.300 30.300 31.003 -0.703 25449 7056 1 14 . 1 1 78 78 ARG H H 78 8.580 8.580 8.503 0.077 25449 7057 1 14 . 1 1 79 79 ILE N N 79 120.100 120.100 124.071 -3.971 25449 7058 1 14 . 1 1 79 79 ILE HA H 79 4.700 4.700 4.446 0.254 25449 7059 1 14 . 1 1 79 79 ILE C C 79 175.200 175.200 174.508 0.692 25449 7060 1 14 . 1 1 79 79 ILE CA C 79 60.000 60.000 59.503 0.497 25449 7061 1 14 . 1 1 79 79 ILE CB C 79 39.400 39.400 38.842 0.558 25449 7062 1 14 . 1 1 79 79 ILE H H 79 8.450 8.450 8.556 -0.106 25449 7063 1 14 . 1 1 80 80 HIS N N 80 119.900 119.900 126.644 -6.744 25449 7064 1 14 . 1 1 80 80 HIS HA H 80 5.190 5.190 4.566 0.624 25449 7065 1 14 . 1 1 80 80 HIS C C 80 173.600 173.600 173.832 -0.232 25449 7066 1 14 . 1 1 80 80 HIS CA C 80 53.800 53.800 55.367 -1.567 25449 7067 1 14 . 1 1 80 80 HIS CB C 80 31.300 31.300 30.766 0.534 25449 7068 1 14 . 1 1 80 80 HIS H H 80 8.580 8.580 8.128 0.452 25449 7069 1 14 . 1 1 81 81 VAL N N 81 123.800 123.800 127.622 -3.822 25449 7070 1 14 . 1 1 81 81 VAL HA H 81 5.280 5.280 4.582 0.698 25449 7071 1 14 . 1 1 81 81 VAL C C 81 173.600 173.600 174.705 -1.105 25449 7072 1 14 . 1 1 81 81 VAL CA C 81 60.200 60.200 60.975 -0.775 25449 7073 1 14 . 1 1 81 81 VAL CB C 81 35.000 35.000 32.915 2.085 25449 7074 1 14 . 1 1 81 81 VAL H H 81 8.650 8.650 8.168 0.482 25449 7075 1 14 . 1 1 82 82 ASN N N 82 121.100 121.100 123.424 -2.324 25449 7076 1 14 . 1 1 82 82 ASN HA H 82 4.750 4.750 5.098 -0.348 25449 7077 1 14 . 1 1 82 82 ASN C C 82 174.000 174.000 173.501 0.499 25449 7078 1 14 . 1 1 82 82 ASN CA C 82 51.900 51.900 51.762 0.138 25449 7079 1 14 . 1 1 82 82 ASN CB C 82 42.900 42.900 41.051 1.849 25449 7080 1 14 . 1 1 82 82 ASN H H 82 8.890 8.890 8.432 0.458 25449 7081 1 14 . 1 1 83 83 TYR N N 83 120.400 120.400 120.332 0.068 25449 7082 1 14 . 1 1 83 83 TYR HA H 83 4.800 4.800 4.704 0.096 25449 7083 1 14 . 1 1 83 83 TYR C C 83 177.100 177.100 175.253 1.847 25449 7084 1 14 . 1 1 83 83 TYR CA C 83 59.400 59.400 59.283 0.117 25449 7085 1 14 . 1 1 83 83 TYR CB C 83 38.700 38.700 39.706 -1.006 25449 7086 1 14 . 1 1 83 83 TYR H H 83 8.480 8.480 8.628 -0.148 25449 7087 1 14 . 1 1 84 84 SER N N 84 118.000 118.000 115.554 2.446 25449 7088 1 14 . 1 1 84 84 SER HA H 84 4.520 4.520 4.420 0.100 25449 7089 1 14 . 1 1 84 84 SER C C 84 174.100 174.100 172.491 1.609 25449 7090 1 14 . 1 1 84 84 SER CA C 84 57.700 57.700 56.533 1.167 25449 7091 1 14 . 1 1 84 84 SER CB C 84 64.300 64.300 65.070 -0.770 25449 7092 1 14 . 1 1 84 84 SER H H 84 9.040 9.040 7.469 1.571 25449 7093 1 14 . 1 1 85 85 LYS N N 85 125.300 125.300 121.667 3.633 25449 7094 1 14 . 1 1 85 85 LYS HA H 85 4.440 4.440 4.414 0.026 25449 7095 1 14 . 1 1 85 85 LYS C C 85 175.600 175.600 175.304 0.296 25449 7096 1 14 . 1 1 85 85 LYS CA C 85 56.300 56.300 55.558 0.742 25449 7097 1 14 . 1 1 85 85 LYS CB C 85 33.700 33.700 33.217 0.483 25449 7098 1 14 . 1 1 85 85 LYS H H 85 8.410 8.410 8.212 0.198 25449 7099 1 15 . 1 1 -1 -1 SER N N -1 115.600 115.600 114.054 1.546 25449 7100 1 15 . 1 1 -1 -1 SER HA H -1 4.410 4.410 4.576 -0.166 25449 7101 1 15 . 1 1 -1 -1 SER C C -1 172.000 172.000 173.670 -1.670 25449 7102 1 15 . 1 1 -1 -1 SER CA C -1 58.200 58.200 57.913 0.287 25449 7103 1 15 . 1 1 -1 -1 SER CB C -1 63.900 63.900 64.660 -0.760 25449 7104 1 15 . 1 1 -1 -1 SER H H -1 8.670 8.670 8.114 0.556 25449 7105 1 15 . 1 1 0 0 HIS N N 0 121.200 121.200 121.346 -0.146 25449 7106 1 15 . 1 1 0 0 HIS HA H 0 4.590 4.590 4.452 0.138 25449 7107 1 15 . 1 1 0 0 HIS C C 0 174.800 174.800 174.169 0.631 25449 7108 1 15 . 1 1 0 0 HIS CA C 0 56.100 56.100 56.886 -0.786 25449 7109 1 15 . 1 1 0 0 HIS CB C 0 29.900 29.900 30.378 -0.478 25449 7110 1 15 . 1 1 0 0 HIS H H 0 8.730 8.730 9.033 -0.303 25449 7111 1 15 . 1 1 1 1 MET N N 1 121.800 121.800 116.266 5.534 25449 7112 1 15 . 1 1 1 1 MET HA H 1 4.370 4.370 4.338 0.032 25449 7113 1 15 . 1 1 1 1 MET C C 1 176.300 176.300 174.947 1.353 25449 7114 1 15 . 1 1 1 1 MET CA C 1 55.700 55.700 55.242 0.459 25449 7115 1 15 . 1 1 1 1 MET CB C 1 32.800 32.800 33.309 -0.509 25449 7116 1 15 . 1 1 1 1 MET H H 1 8.450 8.450 8.145 0.305 25449 7117 1 15 . 1 1 2 2 SER N N 2 116.700 116.700 117.342 -0.642 25449 7118 1 15 . 1 1 2 2 SER HA H 2 4.370 4.370 4.598 -0.228 25449 7119 1 15 . 1 1 2 2 SER C C 2 174.200 174.200 174.498 -0.298 25449 7120 1 15 . 1 1 2 2 SER CA C 2 58.400 58.400 57.866 0.534 25449 7121 1 15 . 1 1 2 2 SER CB C 2 63.800 63.800 63.230 0.570 25449 7122 1 15 . 1 1 2 2 SER H H 2 8.410 8.410 8.577 -0.167 25449 7123 1 15 . 1 1 3 3 ASP N N 3 122.100 122.100 126.459 -4.359 25449 7124 1 15 . 1 1 3 3 ASP HA H 3 4.550 4.550 4.381 0.169 25449 7125 1 15 . 1 1 3 3 ASP C C 3 176.100 176.100 175.195 0.905 25449 7126 1 15 . 1 1 3 3 ASP CA C 3 54.500 54.500 56.786 -2.286 25449 7127 1 15 . 1 1 3 3 ASP CB C 3 41.200 41.200 41.656 -0.456 25449 7128 1 15 . 1 1 3 3 ASP H H 3 8.340 8.340 8.607 -0.267 25449 7129 1 15 . 1 1 4 4 ASN N N 4 119.100 119.100 111.539 7.561 25449 7130 1 15 . 1 1 4 4 ASN HA H 4 4.580 4.580 4.659 -0.079 25449 7131 1 15 . 1 1 4 4 ASN C C 4 174.900 174.900 173.724 1.176 25449 7132 1 15 . 1 1 4 4 ASN CA C 4 53.700 53.700 52.095 1.605 25449 7133 1 15 . 1 1 4 4 ASN CB C 4 38.900 38.900 39.793 -0.893 25449 7134 1 15 . 1 1 4 4 ASN H H 4 8.420 8.420 7.841 0.579 25449 7135 1 15 . 1 1 5 5 ASN N N 5 118.400 118.400 116.674 1.726 25449 7136 1 15 . 1 1 5 5 ASN HA H 5 4.540 4.540 4.440 0.100 25449 7137 1 15 . 1 1 5 5 ASN C C 5 173.900 173.900 174.756 -0.856 25449 7138 1 15 . 1 1 5 5 ASN CA C 5 53.200 53.200 53.644 -0.444 25449 7139 1 15 . 1 1 5 5 ASN CB C 5 38.700 38.700 37.809 0.891 25449 7140 1 15 . 1 1 5 5 ASN H H 5 8.340 8.340 8.377 -0.037 25449 7141 1 15 . 1 1 6 6 ALA N N 6 122.100 122.100 119.422 2.678 25449 7142 1 15 . 1 1 6 6 ALA HA H 6 2.740 2.740 3.398 -0.658 25449 7143 1 15 . 1 1 6 6 ALA C C 6 177.000 177.000 175.767 1.233 25449 7144 1 15 . 1 1 6 6 ALA CA C 6 52.300 52.300 52.379 -0.079 25449 7145 1 15 . 1 1 6 6 ALA CB C 6 20.000 20.000 17.929 2.071 25449 7146 1 15 . 1 1 6 6 ALA H H 6 7.590 7.590 7.093 0.497 25449 7147 1 15 . 1 1 7 7 THR N N 7 112.700 112.700 118.422 -5.722 25449 7148 1 15 . 1 1 7 7 THR HA H 7 4.390 4.390 4.527 -0.137 25449 7149 1 15 . 1 1 7 7 THR C C 7 171.700 171.700 174.777 -3.077 25449 7150 1 15 . 1 1 7 7 THR CA C 7 59.800 59.800 60.584 -0.784 25449 7151 1 15 . 1 1 7 7 THR CB C 7 70.600 70.600 70.607 -0.007 25449 7152 1 15 . 1 1 7 7 THR H H 7 6.840 6.840 8.224 -1.384 25449 7153 1 15 . 1 1 8 8 ASP N N 8 114.600 114.600 124.297 -9.697 25449 7154 1 15 . 1 1 8 8 ASP HA H 8 4.490 4.490 4.286 0.204 25449 7155 1 15 . 1 1 8 8 ASP C C 8 174.300 174.300 174.001 0.299 25449 7156 1 15 . 1 1 8 8 ASP CA C 8 53.500 53.500 56.110 -2.610 25449 7157 1 15 . 1 1 8 8 ASP CB C 8 39.800 39.800 40.420 -0.620 25449 7158 1 15 . 1 1 8 8 ASP H H 8 8.170 8.170 8.986 -0.816 25449 7159 1 15 . 1 1 9 9 ILE N N 9 117.800 117.800 119.084 -1.284 25449 7160 1 15 . 1 1 9 9 ILE HA H 9 4.810 4.810 4.409 0.401 25449 7161 1 15 . 1 1 9 9 ILE C C 9 174.700 174.700 173.763 0.937 25449 7162 1 15 . 1 1 9 9 ILE CA C 9 60.600 60.600 60.529 0.071 25449 7163 1 15 . 1 1 9 9 ILE CB C 9 40.300 40.300 40.297 0.003 25449 7164 1 15 . 1 1 9 9 ILE H H 9 7.890 7.890 7.565 0.325 25449 7165 1 15 . 1 1 10 10 LEU N N 10 125.300 125.300 126.932 -1.632 25449 7166 1 15 . 1 1 10 10 LEU HA H 10 4.960 4.960 4.888 0.072 25449 7167 1 15 . 1 1 10 10 LEU C C 10 176.100 176.100 174.975 1.125 25449 7168 1 15 . 1 1 10 10 LEU CA C 10 52.900 52.900 54.129 -1.229 25449 7169 1 15 . 1 1 10 10 LEU CB C 10 43.100 43.100 45.268 -2.168 25449 7170 1 15 . 1 1 10 10 LEU H H 10 9.370 9.370 8.212 1.158 25449 7171 1 15 . 1 1 11 11 PHE N N 11 124.300 124.300 127.043 -2.743 25449 7172 1 15 . 1 1 11 11 PHE HA H 11 4.670 4.670 4.758 -0.088 25449 7173 1 15 . 1 1 11 11 PHE C C 11 173.400 173.400 174.110 -0.710 25449 7174 1 15 . 1 1 11 11 PHE CA C 11 57.000 57.000 57.675 -0.675 25449 7175 1 15 . 1 1 11 11 PHE CB C 11 40.700 40.700 40.932 -0.232 25449 7176 1 15 . 1 1 11 11 PHE H H 11 9.310 9.310 8.359 0.951 25449 7177 1 15 . 1 1 12 12 VAL N N 12 128.300 128.300 125.067 3.233 25449 7178 1 15 . 1 1 12 12 VAL HA H 12 4.420 4.420 4.215 0.205 25449 7179 1 15 . 1 1 12 12 VAL C C 12 173.900 173.900 174.345 -0.445 25449 7180 1 15 . 1 1 12 12 VAL CA C 12 60.200 60.200 60.073 0.127 25449 7181 1 15 . 1 1 12 12 VAL CB C 12 33.100 33.100 35.527 -2.427 25449 7182 1 15 . 1 1 12 12 VAL H H 12 8.380 8.380 7.508 0.872 25449 7183 1 15 . 1 1 13 13 GLY N N 13 111.800 111.800 110.992 0.808 25449 7184 1 15 . 1 1 13 13 GLY C C 13 173.800 173.800 173.785 0.015 25449 7185 1 15 . 1 1 13 13 GLY CA C 13 43.400 43.400 43.492 -0.092 25449 7186 1 15 . 1 1 13 13 GLY H H 13 9.150 9.150 8.448 0.702 25449 7187 1 15 . 1 1 14 14 GLY N N 14 107.600 107.600 107.050 0.550 25449 7188 1 15 . 1 1 14 14 GLY C C 14 175.400 175.400 173.954 1.446 25449 7189 1 15 . 1 1 14 14 GLY CA C 14 45.800 45.800 44.610 1.190 25449 7190 1 15 . 1 1 14 14 GLY H H 14 8.260 8.260 8.404 -0.144 25449 7191 1 15 . 1 1 15 15 ILE N N 15 111.100 111.100 121.597 -10.497 25449 7192 1 15 . 1 1 15 15 ILE HA H 15 4.040 4.040 4.300 -0.260 25449 7193 1 15 . 1 1 15 15 ILE C C 15 175.500 175.500 175.162 0.338 25449 7194 1 15 . 1 1 15 15 ILE CA C 15 60.500 60.500 59.142 1.358 25449 7195 1 15 . 1 1 15 15 ILE CB C 15 38.500 38.500 40.058 -1.558 25449 7196 1 15 . 1 1 15 15 ILE H H 15 6.930 6.930 7.515 -0.585 25449 7197 1 15 . 1 1 16 16 ASP N N 16 122.800 122.800 122.627 0.173 25449 7198 1 15 . 1 1 16 16 ASP HA H 16 4.580 4.580 4.501 0.079 25449 7199 1 15 . 1 1 16 16 ASP C C 16 177.200 177.200 176.752 0.448 25449 7200 1 15 . 1 1 16 16 ASP CA C 16 53.700 53.700 54.234 -0.534 25449 7201 1 15 . 1 1 16 16 ASP CB C 16 42.500 42.500 42.802 -0.302 25449 7202 1 15 . 1 1 16 16 ASP H H 16 8.320 8.320 8.653 -0.333 25449 7203 1 15 . 1 1 17 17 GLU N N 17 119.600 119.600 119.901 -0.301 25449 7204 1 15 . 1 1 17 17 GLU HA H 17 4.140 4.140 4.312 -0.172 25449 7205 1 15 . 1 1 17 17 GLU C C 17 176.800 176.800 176.536 0.264 25449 7206 1 15 . 1 1 17 17 GLU CA C 17 58.600 58.600 57.231 1.369 25449 7207 1 15 . 1 1 17 17 GLU CB C 17 29.800 29.800 29.044 0.756 25449 7208 1 15 . 1 1 17 17 GLU H H 17 8.830 8.830 8.720 0.110 25449 7209 1 15 . 1 1 18 18 THR N N 18 111.300 111.300 115.446 -4.146 25449 7210 1 15 . 1 1 18 18 THR HA H 18 4.250 4.250 4.405 -0.155 25449 7211 1 15 . 1 1 18 18 THR C C 18 175.200 175.200 174.399 0.801 25449 7212 1 15 . 1 1 18 18 THR CA C 18 62.600 62.600 61.619 0.981 25449 7213 1 15 . 1 1 18 18 THR CB C 18 69.600 69.600 69.233 0.367 25449 7214 1 15 . 1 1 18 18 THR H H 18 8.740 8.740 7.884 0.856 25449 7215 1 15 . 1 1 19 19 ILE N N 19 123.300 123.300 118.055 5.245 25449 7216 1 15 . 1 1 19 19 ILE HA H 19 3.880 3.880 4.380 -0.500 25449 7217 1 15 . 1 1 19 19 ILE C C 19 174.300 174.300 174.388 -0.088 25449 7218 1 15 . 1 1 19 19 ILE CA C 19 59.900 59.900 58.813 1.087 25449 7219 1 15 . 1 1 19 19 ILE CB C 19 35.600 35.600 38.812 -3.212 25449 7220 1 15 . 1 1 19 19 ILE H H 19 7.220 7.220 7.328 -0.108 25449 7221 1 15 . 1 1 20 20 ASP N N 20 125.600 125.600 121.664 3.936 25449 7222 1 15 . 1 1 20 20 ASP HA H 20 4.640 4.640 4.806 -0.166 25449 7223 1 15 . 1 1 20 20 ASP C C 20 175.300 175.300 176.492 -1.192 25449 7224 1 15 . 1 1 20 20 ASP CA C 20 51.500 51.500 53.336 -1.836 25449 7225 1 15 . 1 1 20 20 ASP CB C 20 43.000 43.000 44.149 -1.149 25449 7226 1 15 . 1 1 20 20 ASP H H 20 7.790 7.790 7.774 0.016 25449 7227 1 15 . 1 1 21 21 GLU N N 21 118.400 118.400 122.440 -4.040 25449 7228 1 15 . 1 1 21 21 GLU HA H 21 3.630 3.630 3.924 -0.294 25449 7229 1 15 . 1 1 21 21 GLU C C 21 177.900 177.900 178.318 -0.418 25449 7230 1 15 . 1 1 21 21 GLU CA C 21 60.900 60.900 60.399 0.501 25449 7231 1 15 . 1 1 21 21 GLU CB C 21 29.200 29.200 29.859 -0.659 25449 7232 1 15 . 1 1 21 21 GLU H H 21 9.220 9.220 8.986 0.234 25449 7233 1 15 . 1 1 22 22 LYS N N 22 119.700 119.700 117.893 1.807 25449 7234 1 15 . 1 1 22 22 LYS HA H 22 4.060 4.060 4.237 -0.177 25449 7235 1 15 . 1 1 22 22 LYS C C 22 178.500 178.500 178.935 -0.435 25449 7236 1 15 . 1 1 22 22 LYS CA C 22 59.300 59.300 58.737 0.563 25449 7237 1 15 . 1 1 22 22 LYS CB C 22 31.800 31.800 31.789 0.011 25449 7238 1 15 . 1 1 22 22 LYS H H 22 8.040 8.040 8.493 -0.453 25449 7239 1 15 . 1 1 23 23 SER N N 23 114.900 114.900 115.855 -0.955 25449 7240 1 15 . 1 1 23 23 SER HA H 23 4.300 4.300 4.266 0.034 25449 7241 1 15 . 1 1 23 23 SER C C 23 177.600 177.600 176.331 1.269 25449 7242 1 15 . 1 1 23 23 SER CA C 23 61.800 61.800 61.118 0.682 25449 7243 1 15 . 1 1 23 23 SER CB C 23 62.900 62.900 62.849 0.051 25449 7244 1 15 . 1 1 23 23 SER H H 23 8.240 8.240 8.088 0.152 25449 7245 1 15 . 1 1 24 24 LEU N N 24 118.800 118.800 121.498 -2.698 25449 7246 1 15 . 1 1 24 24 LEU HA H 24 4.180 4.180 4.182 -0.002 25449 7247 1 15 . 1 1 24 24 LEU C C 24 178.700 178.700 178.696 0.004 25449 7248 1 15 . 1 1 24 24 LEU CA C 24 57.300 57.300 56.851 0.449 25449 7249 1 15 . 1 1 24 24 LEU CB C 24 42.100 42.100 41.513 0.587 25449 7250 1 15 . 1 1 24 24 LEU H H 24 7.750 7.750 7.478 0.272 25449 7251 1 15 . 1 1 25 25 TYR N N 25 123.200 123.200 121.207 1.993 25449 7252 1 15 . 1 1 25 25 TYR HA H 25 3.630 3.630 4.046 -0.416 25449 7253 1 15 . 1 1 25 25 TYR C C 25 178.600 178.600 177.219 1.381 25449 7254 1 15 . 1 1 25 25 TYR CA C 25 63.200 63.200 60.599 2.601 25449 7255 1 15 . 1 1 25 25 TYR CB C 25 38.200 38.200 38.294 -0.094 25449 7256 1 15 . 1 1 25 25 TYR H H 25 8.970 8.970 7.555 1.415 25449 7257 1 15 . 1 1 26 26 ASP N N 26 119.800 119.800 118.967 0.833 25449 7258 1 15 . 1 1 26 26 ASP HA H 26 4.270 4.270 4.376 -0.106 25449 7259 1 15 . 1 1 26 26 ASP C C 26 177.900 177.900 178.791 -0.891 25449 7260 1 15 . 1 1 26 26 ASP CA C 26 57.700 57.700 57.792 -0.092 25449 7261 1 15 . 1 1 26 26 ASP CB C 26 40.000 40.000 40.877 -0.877 25449 7262 1 15 . 1 1 26 26 ASP H H 26 8.510 8.510 7.859 0.651 25449 7263 1 15 . 1 1 27 27 ILE N N 27 114.700 114.700 119.319 -4.619 25449 7264 1 15 . 1 1 27 27 ILE HA H 27 3.960 3.960 3.867 0.093 25449 7265 1 15 . 1 1 27 27 ILE C C 27 177.700 177.700 177.911 -0.211 25449 7266 1 15 . 1 1 27 27 ILE CA C 27 63.300 63.300 64.985 -1.685 25449 7267 1 15 . 1 1 27 27 ILE CB C 27 39.000 39.000 38.332 0.668 25449 7268 1 15 . 1 1 27 27 ILE H H 27 7.320 7.320 7.537 -0.217 25449 7269 1 15 . 1 1 28 28 PHE N N 28 116.900 116.900 117.116 -0.216 25449 7270 1 15 . 1 1 28 28 PHE HA H 28 4.370 4.370 4.521 -0.151 25449 7271 1 15 . 1 1 28 28 PHE C C 28 179.900 179.900 177.505 2.395 25449 7272 1 15 . 1 1 28 28 PHE CA C 28 62.300 62.300 58.755 3.545 25449 7273 1 15 . 1 1 28 28 PHE CB C 28 37.300 37.300 38.495 -1.194 25449 7274 1 15 . 1 1 28 28 PHE H H 28 8.650 8.650 8.034 0.616 25449 7275 1 15 . 1 1 29 29 SER N N 29 120.100 120.100 114.192 5.908 25449 7276 1 15 . 1 1 29 29 SER HA H 29 4.410 4.410 4.548 -0.138 25449 7277 1 15 . 1 1 29 29 SER C C 29 175.600 175.600 175.513 0.087 25449 7278 1 15 . 1 1 29 29 SER CA C 29 61.300 61.300 59.523 1.777 25449 7279 1 15 . 1 1 29 29 SER CB C 29 62.200 62.200 63.165 -0.965 25449 7280 1 15 . 1 1 29 29 SER H H 29 8.880 8.880 7.789 1.091 25449 7281 1 15 . 1 1 30 30 SER N N 30 116.200 116.200 117.273 -1.073 25449 7282 1 15 . 1 1 30 30 SER HA H 30 3.940 3.940 4.249 -0.309 25449 7283 1 15 . 1 1 30 30 SER C C 30 174.900 174.900 175.917 -1.017 25449 7284 1 15 . 1 1 30 30 SER CA C 30 60.400 60.400 60.785 -0.385 25449 7285 1 15 . 1 1 30 30 SER CB C 30 62.400 62.400 63.030 -0.630 25449 7286 1 15 . 1 1 30 30 SER H H 30 7.270 7.270 7.990 -0.720 25449 7287 1 15 . 1 1 31 31 PHE N N 31 115.600 115.600 121.699 -6.099 25449 7288 1 15 . 1 1 31 31 PHE HA H 31 4.280 4.280 4.575 -0.295 25449 7289 1 15 . 1 1 31 31 PHE C C 31 174.100 174.100 176.205 -2.105 25449 7290 1 15 . 1 1 31 31 PHE CA C 31 58.900 58.900 59.236 -0.336 25449 7291 1 15 . 1 1 31 31 PHE CB C 31 39.300 39.300 40.017 -0.717 25449 7292 1 15 . 1 1 31 31 PHE H H 31 6.980 6.980 8.034 -1.054 25449 7293 1 15 . 1 1 32 32 GLY N N 32 104.900 104.900 107.362 -2.462 25449 7294 1 15 . 1 1 32 32 GLY C C 32 171.600 171.600 172.870 -1.270 25449 7295 1 15 . 1 1 32 32 GLY CA C 32 44.300 44.300 44.608 -0.308 25449 7296 1 15 . 1 1 32 32 GLY H H 32 7.300 7.300 7.655 -0.355 25449 7297 1 15 . 1 1 33 33 ASP N N 33 116.100 116.100 126.773 -10.673 25449 7298 1 15 . 1 1 33 33 ASP HA H 33 4.510 4.510 4.567 -0.057 25449 7299 1 15 . 1 1 33 33 ASP C C 33 176.800 176.800 174.654 2.146 25449 7300 1 15 . 1 1 33 33 ASP CA C 33 55.400 55.400 55.591 -0.191 25449 7301 1 15 . 1 1 33 33 ASP CB C 33 40.600 40.600 42.041 -1.441 25449 7302 1 15 . 1 1 33 33 ASP H H 33 8.120 8.120 8.500 -0.380 25449 7303 1 15 . 1 1 34 34 ILE N N 34 126.400 126.400 118.363 8.037 25449 7304 1 15 . 1 1 34 34 ILE HA H 34 3.850 3.850 4.145 -0.295 25449 7305 1 15 . 1 1 34 34 ILE C C 34 176.200 176.200 175.812 0.388 25449 7306 1 15 . 1 1 34 34 ILE CA C 34 60.200 60.200 58.134 2.066 25449 7307 1 15 . 1 1 34 34 ILE CB C 34 39.900 39.900 38.952 0.948 25449 7308 1 15 . 1 1 34 34 ILE H H 34 8.670 8.670 8.309 0.361 25449 7309 1 15 . 1 1 35 35 ARG N N 35 128.900 128.900 124.919 3.981 25449 7310 1 15 . 1 1 35 35 ARG HA H 35 4.160 4.160 4.211 -0.051 25449 7311 1 15 . 1 1 35 35 ARG C C 35 175.600 175.600 176.443 -0.843 25449 7312 1 15 . 1 1 35 35 ARG CA C 35 57.500 57.500 57.900 -0.400 25449 7313 1 15 . 1 1 35 35 ARG CB C 35 31.700 31.700 31.361 0.339 25449 7314 1 15 . 1 1 35 35 ARG H H 35 9.320 9.320 8.410 0.910 25449 7315 1 15 . 1 1 36 36 ASN N N 36 114.300 114.300 114.436 -0.136 25449 7316 1 15 . 1 1 36 36 ASN HA H 36 4.710 4.710 4.799 -0.089 25449 7317 1 15 . 1 1 36 36 ASN C C 36 172.000 172.000 172.862 -0.862 25449 7318 1 15 . 1 1 36 36 ASN CA C 36 53.500 53.500 53.066 0.434 25449 7319 1 15 . 1 1 36 36 ASN CB C 36 42.600 42.600 40.880 1.720 25449 7320 1 15 . 1 1 36 36 ASN H H 36 7.620 7.620 8.052 -0.432 25449 7321 1 15 . 1 1 37 37 ILE N N 37 122.700 122.700 121.900 0.800 25449 7322 1 15 . 1 1 37 37 ILE HA H 37 4.770 4.770 4.463 0.307 25449 7323 1 15 . 1 1 37 37 ILE C C 37 173.300 173.300 174.523 -1.223 25449 7324 1 15 . 1 1 37 37 ILE CA C 37 60.600 60.600 61.112 -0.513 25449 7325 1 15 . 1 1 37 37 ILE CB C 37 41.200 41.200 40.552 0.648 25449 7326 1 15 . 1 1 37 37 ILE H H 37 8.030 8.030 8.445 -0.415 25449 7327 1 15 . 1 1 38 38 GLU N N 38 126.700 126.700 128.400 -1.700 25449 7328 1 15 . 1 1 38 38 GLU HA H 38 4.660 4.660 4.701 -0.041 25449 7329 1 15 . 1 1 38 38 GLU C C 38 174.800 174.800 174.245 0.555 25449 7330 1 15 . 1 1 38 38 GLU CA C 38 54.400 54.400 55.471 -1.071 25449 7331 1 15 . 1 1 38 38 GLU CB C 38 33.400 33.400 31.624 1.776 25449 7332 1 15 . 1 1 38 38 GLU H H 38 8.870 8.870 8.565 0.305 25449 7333 1 15 . 1 1 39 39 VAL N N 39 126.400 126.400 127.120 -0.720 25449 7334 1 15 . 1 1 39 39 VAL CA C 39 58.700 58.700 59.009 -0.309 25449 7335 1 15 . 1 1 39 39 VAL CB C 39 32.600 32.600 32.907 -0.307 25449 7336 1 15 . 1 1 39 39 VAL H H 39 8.970 8.970 8.447 0.523 25449 7337 1 15 . 1 1 40 40 PRO HA H 40 4.230 4.230 4.332 -0.102 25449 7338 1 15 . 1 1 40 40 PRO C C 40 176.300 176.300 175.186 1.114 25449 7339 1 15 . 1 1 40 40 PRO CA C 40 63.300 63.300 62.959 0.341 25449 7340 1 15 . 1 1 40 40 PRO CB C 40 32.500 32.500 32.198 0.302 25449 7341 1 15 . 1 1 41 41 LEU N N 41 120.700 120.700 123.177 -2.477 25449 7342 1 15 . 1 1 41 41 LEU HA H 41 4.520 4.520 4.642 -0.122 25449 7343 1 15 . 1 1 41 41 LEU C C 41 177.900 177.900 175.724 2.176 25449 7344 1 15 . 1 1 41 41 LEU CA C 41 53.100 53.100 53.668 -0.568 25449 7345 1 15 . 1 1 41 41 LEU CB C 41 44.300 44.300 45.680 -1.380 25449 7346 1 15 . 1 1 41 41 LEU H H 41 8.520 8.520 8.133 0.387 25449 7347 1 15 . 1 1 42 42 ASN N N 42 121.400 121.400 122.378 -0.978 25449 7348 1 15 . 1 1 42 42 ASN HA H 42 4.560 4.560 4.953 -0.393 25449 7349 1 15 . 1 1 42 42 ASN C C 42 176.700 176.700 176.254 0.446 25449 7350 1 15 . 1 1 42 42 ASN CA C 42 52.900 52.900 52.218 0.682 25449 7351 1 15 . 1 1 42 42 ASN CB C 42 39.000 39.000 39.818 -0.818 25449 7352 1 15 . 1 1 42 42 ASN H H 42 8.740 8.740 8.295 0.445 25449 7353 1 15 . 1 1 43 43 MET N N 43 125.500 125.500 123.816 1.684 25449 7354 1 15 . 1 1 43 43 MET HA H 43 4.210 4.210 4.400 -0.190 25449 7355 1 15 . 1 1 43 43 MET C C 43 177.200 177.200 176.327 0.873 25449 7356 1 15 . 1 1 43 43 MET CA C 43 57.100 57.100 57.069 0.031 25449 7357 1 15 . 1 1 43 43 MET CB C 43 31.600 31.600 31.935 -0.335 25449 7358 1 15 . 1 1 43 43 MET H H 43 9.080 9.080 8.905 0.175 25449 7359 1 15 . 1 1 44 44 THR N N 44 114.400 114.400 112.965 1.435 25449 7360 1 15 . 1 1 44 44 THR HA H 44 4.160 4.160 4.295 -0.135 25449 7361 1 15 . 1 1 44 44 THR C C 44 175.900 175.900 175.652 0.248 25449 7362 1 15 . 1 1 44 44 THR CA C 44 65.200 65.200 64.686 0.514 25449 7363 1 15 . 1 1 44 44 THR CB C 44 68.700 68.700 68.996 -0.296 25449 7364 1 15 . 1 1 44 44 THR H H 44 8.590 8.590 7.969 0.621 25449 7365 1 15 . 1 1 45 45 THR N N 45 110.300 110.300 114.501 -4.201 25449 7366 1 15 . 1 1 45 45 THR HA H 45 4.160 4.160 4.378 -0.218 25449 7367 1 15 . 1 1 45 45 THR C C 45 175.500 175.500 173.456 2.044 25449 7368 1 15 . 1 1 45 45 THR CA C 45 62.000 62.000 61.244 0.756 25449 7369 1 15 . 1 1 45 45 THR CB C 45 70.000 70.000 69.979 0.021 25449 7370 1 15 . 1 1 45 45 THR H H 45 7.610 7.610 7.758 -0.148 25449 7371 1 15 . 1 1 46 46 LYS N N 46 115.700 115.700 122.314 -6.614 25449 7372 1 15 . 1 1 46 46 LYS HA H 46 3.720 3.720 3.917 -0.197 25449 7373 1 15 . 1 1 46 46 LYS C C 46 174.600 174.600 173.717 0.883 25449 7374 1 15 . 1 1 46 46 LYS CA C 46 57.600 57.600 57.361 0.239 25449 7375 1 15 . 1 1 46 46 LYS CB C 46 28.900 28.900 31.195 -2.295 25449 7376 1 15 . 1 1 46 46 LYS H H 46 8.460 8.460 8.193 0.267 25449 7377 1 15 . 1 1 47 47 LYS N N 47 117.100 117.100 121.523 -4.423 25449 7378 1 15 . 1 1 47 47 LYS HA H 47 4.680 4.680 4.580 0.100 25449 7379 1 15 . 1 1 47 47 LYS C C 47 176.300 176.300 176.707 -0.407 25449 7380 1 15 . 1 1 47 47 LYS CA C 47 54.000 54.000 54.077 -0.077 25449 7381 1 15 . 1 1 47 47 LYS CB C 47 35.100 35.100 34.451 0.649 25449 7382 1 15 . 1 1 47 47 LYS H H 47 7.610 7.610 8.052 -0.442 25449 7383 1 15 . 1 1 48 48 ASN N N 48 117.700 117.700 120.969 -3.269 25449 7384 1 15 . 1 1 48 48 ASN HA H 48 4.700 4.700 4.877 -0.177 25449 7385 1 15 . 1 1 48 48 ASN C C 48 174.000 174.000 175.554 -1.554 25449 7386 1 15 . 1 1 48 48 ASN CA C 48 53.600 53.600 52.620 0.980 25449 7387 1 15 . 1 1 48 48 ASN CB C 48 37.700 37.700 38.963 -1.263 25449 7388 1 15 . 1 1 48 48 ASN H H 48 8.740 8.740 8.791 -0.051 25449 7389 1 15 . 1 1 49 49 ARG N N 49 116.800 116.800 116.248 0.552 25449 7390 1 15 . 1 1 49 49 ARG HA H 49 4.350 4.350 3.975 0.375 25449 7391 1 15 . 1 1 49 49 ARG C C 49 177.500 177.500 176.458 1.042 25449 7392 1 15 . 1 1 49 49 ARG CA C 49 55.600 55.600 56.622 -1.022 25449 7393 1 15 . 1 1 49 49 ARG CB C 49 31.600 31.600 27.093 4.507 25449 7394 1 15 . 1 1 49 49 ARG H H 49 8.530 8.530 8.368 0.162 25449 7395 1 15 . 1 1 50 50 GLY N N 50 108.300 108.300 105.913 2.387 25449 7396 1 15 . 1 1 50 50 GLY C C 50 173.500 173.500 173.213 0.287 25449 7397 1 15 . 1 1 50 50 GLY CA C 50 45.800 45.800 45.222 0.578 25449 7398 1 15 . 1 1 50 50 GLY H H 50 8.900 8.900 8.870 0.030 25449 7399 1 15 . 1 1 51 51 PHE N N 51 113.900 113.900 115.824 -1.924 25449 7400 1 15 . 1 1 51 51 PHE HA H 51 5.470 5.470 4.677 0.793 25449 7401 1 15 . 1 1 51 51 PHE C C 51 172.000 172.000 172.288 -0.288 25449 7402 1 15 . 1 1 51 51 PHE CA C 51 55.000 55.000 55.947 -0.947 25449 7403 1 15 . 1 1 51 51 PHE CB C 51 42.700 42.700 40.588 2.112 25449 7404 1 15 . 1 1 51 51 PHE H H 51 6.910 6.910 7.191 -0.281 25449 7405 1 15 . 1 1 52 52 ALA N N 52 120.500 120.500 124.927 -4.427 25449 7406 1 15 . 1 1 52 52 ALA HA H 52 4.630 4.630 4.560 0.070 25449 7407 1 15 . 1 1 52 52 ALA C C 52 173.900 173.900 174.609 -0.709 25449 7408 1 15 . 1 1 52 52 ALA CA C 52 50.200 50.200 50.385 -0.185 25449 7409 1 15 . 1 1 52 52 ALA CB C 52 25.100 25.100 22.380 2.720 25449 7410 1 15 . 1 1 52 52 ALA H H 52 8.810 8.810 7.727 1.083 25449 7411 1 15 . 1 1 53 53 PHE N N 53 115.000 115.000 119.999 -4.999 25449 7412 1 15 . 1 1 53 53 PHE HA H 53 5.660 5.660 4.768 0.892 25449 7413 1 15 . 1 1 53 53 PHE C C 53 175.600 175.600 174.917 0.683 25449 7414 1 15 . 1 1 53 53 PHE CA C 53 56.200 56.200 56.729 -0.529 25449 7415 1 15 . 1 1 53 53 PHE CB C 53 42.400 42.400 41.153 1.247 25449 7416 1 15 . 1 1 53 53 PHE H H 53 8.730 8.730 7.917 0.813 25449 7417 1 15 . 1 1 54 54 VAL N N 54 122.300 122.300 121.835 0.465 25449 7418 1 15 . 1 1 54 54 VAL HA H 54 4.100 4.100 4.335 -0.235 25449 7419 1 15 . 1 1 54 54 VAL C C 54 173.000 173.000 174.193 -1.193 25449 7420 1 15 . 1 1 54 54 VAL CA C 54 61.700 61.700 61.517 0.183 25449 7421 1 15 . 1 1 54 54 VAL CB C 54 34.400 34.400 34.391 0.009 25449 7422 1 15 . 1 1 54 54 VAL H H 54 9.060 9.060 8.440 0.620 25449 7423 1 15 . 1 1 55 55 GLU N N 55 127.300 127.300 127.330 -0.030 25449 7424 1 15 . 1 1 55 55 GLU HA H 55 5.160 5.160 4.656 0.504 25449 7425 1 15 . 1 1 55 55 GLU C C 55 175.900 175.900 175.595 0.305 25449 7426 1 15 . 1 1 55 55 GLU CA C 55 54.000 54.000 55.286 -1.286 25449 7427 1 15 . 1 1 55 55 GLU CB C 55 31.700 31.700 32.103 -0.403 25449 7428 1 15 . 1 1 55 55 GLU H H 55 8.860 8.860 8.291 0.569 25449 7429 1 15 . 1 1 56 56 TYR N N 56 127.500 127.500 125.183 2.317 25449 7430 1 15 . 1 1 56 56 TYR HA H 56 4.520 4.520 4.483 0.037 25449 7431 1 15 . 1 1 56 56 TYR C C 56 175.000 175.000 175.931 -0.931 25449 7432 1 15 . 1 1 56 56 TYR CA C 56 59.700 59.700 59.382 0.318 25449 7433 1 15 . 1 1 56 56 TYR CB C 56 40.200 40.200 40.039 0.161 25449 7434 1 15 . 1 1 56 56 TYR H H 56 9.470 9.470 8.087 1.383 25449 7435 1 15 . 1 1 57 57 VAL N N 57 119.200 119.200 120.721 -1.521 25449 7436 1 15 . 1 1 57 57 VAL HA H 57 3.570 3.570 3.949 -0.379 25449 7437 1 15 . 1 1 57 57 VAL C C 57 177.000 177.000 176.476 0.524 25449 7438 1 15 . 1 1 57 57 VAL CA C 57 66.300 66.300 64.929 1.371 25449 7439 1 15 . 1 1 57 57 VAL CB C 57 32.000 32.000 32.228 -0.229 25449 7440 1 15 . 1 1 57 57 VAL H H 57 7.800 7.800 7.948 -0.148 25449 7441 1 15 . 1 1 58 58 GLU N N 58 118.500 118.500 117.045 1.455 25449 7442 1 15 . 1 1 58 58 GLU HA H 58 4.780 4.780 4.661 0.119 25449 7443 1 15 . 1 1 58 58 GLU C C 58 177.500 177.500 177.434 0.066 25449 7444 1 15 . 1 1 58 58 GLU CA C 58 53.800 53.800 55.434 -1.634 25449 7445 1 15 . 1 1 58 58 GLU CB C 58 30.500 30.500 31.595 -1.095 25449 7446 1 15 . 1 1 58 58 GLU H H 58 9.530 9.530 8.128 1.402 25449 7447 1 15 . 1 1 59 59 VAL N N 59 125.200 125.200 121.304 3.896 25449 7448 1 15 . 1 1 59 59 VAL HA H 59 3.530 3.530 3.978 -0.448 25449 7449 1 15 . 1 1 59 59 VAL C C 59 177.600 177.600 176.967 0.633 25449 7450 1 15 . 1 1 59 59 VAL CA C 59 66.100 66.100 65.453 0.647 25449 7451 1 15 . 1 1 59 59 VAL CB C 59 31.700 31.700 32.519 -0.819 25449 7452 1 15 . 1 1 59 59 VAL H H 59 8.650 8.650 8.451 0.199 25449 7453 1 15 . 1 1 60 60 ASP N N 60 118.500 118.500 119.893 -1.393 25449 7454 1 15 . 1 1 60 60 ASP HA H 60 4.220 4.220 4.303 -0.083 25449 7455 1 15 . 1 1 60 60 ASP C C 60 178.300 178.300 177.541 0.759 25449 7456 1 15 . 1 1 60 60 ASP CA C 60 57.600 57.600 57.863 -0.263 25449 7457 1 15 . 1 1 60 60 ASP CB C 60 40.500 40.500 40.723 -0.223 25449 7458 1 15 . 1 1 60 60 ASP H H 60 8.970 8.970 8.744 0.226 25449 7459 1 15 . 1 1 61 61 ASP N N 61 119.900 119.900 119.260 0.640 25449 7460 1 15 . 1 1 61 61 ASP HA H 61 4.360 4.360 4.349 0.011 25449 7461 1 15 . 1 1 61 61 ASP C C 61 176.800 176.800 178.136 -1.336 25449 7462 1 15 . 1 1 61 61 ASP CA C 61 56.900 56.900 57.363 -0.463 25449 7463 1 15 . 1 1 61 61 ASP CB C 61 39.800 39.800 40.383 -0.583 25449 7464 1 15 . 1 1 61 61 ASP H H 61 6.920 6.920 8.657 -1.737 25449 7465 1 15 . 1 1 62 62 ALA N N 62 122.700 122.700 122.152 0.548 25449 7466 1 15 . 1 1 62 62 ALA HA H 62 3.380 3.380 3.262 0.118 25449 7467 1 15 . 1 1 62 62 ALA C C 62 171.600 171.600 179.107 -7.507 25449 7468 1 15 . 1 1 62 62 ALA CA C 62 55.100 55.100 54.789 0.311 25449 7469 1 15 . 1 1 62 62 ALA CB C 62 18.200 18.200 18.251 -0.051 25449 7470 1 15 . 1 1 62 62 ALA H H 62 6.910 6.910 7.498 -0.588 25449 7471 1 15 . 1 1 63 63 LYS N N 63 116.200 116.200 116.396 -0.196 25449 7472 1 15 . 1 1 63 63 LYS HA H 63 4.190 4.190 3.860 0.330 25449 7473 1 15 . 1 1 63 63 LYS C C 63 179.200 179.200 179.053 0.147 25449 7474 1 15 . 1 1 63 63 LYS CA C 63 59.300 59.300 59.054 0.246 25449 7475 1 15 . 1 1 63 63 LYS CB C 63 32.600 32.600 31.859 0.741 25449 7476 1 15 . 1 1 63 63 LYS H H 63 8.020 8.020 7.335 0.685 25449 7477 1 15 . 1 1 64 64 HIS N N 64 117.400 117.400 118.618 -1.218 25449 7478 1 15 . 1 1 64 64 HIS HA H 64 4.310 4.310 4.429 -0.119 25449 7479 1 15 . 1 1 64 64 HIS CA C 64 58.000 58.000 58.718 -0.718 25449 7480 1 15 . 1 1 64 64 HIS CB C 64 29.100 29.100 30.268 -1.168 25449 7481 1 15 . 1 1 64 64 HIS H H 64 7.460 7.460 7.564 -0.104 25449 7482 1 15 . 1 1 65 65 ALA N N 65 123.700 123.700 122.135 1.565 25449 7483 1 15 . 1 1 65 65 ALA HA H 65 2.170 2.170 3.893 -1.723 25449 7484 1 15 . 1 1 65 65 ALA C C 65 178.700 178.700 178.961 -0.261 25449 7485 1 15 . 1 1 65 65 ALA CA C 65 54.800 54.800 54.715 0.085 25449 7486 1 15 . 1 1 65 65 ALA CB C 65 19.400 19.400 18.431 0.969 25449 7487 1 15 . 1 1 65 65 ALA H H 65 8.190 8.190 7.476 0.714 25449 7488 1 15 . 1 1 66 66 LEU N N 66 119.800 119.800 117.437 2.363 25449 7489 1 15 . 1 1 66 66 LEU HA H 66 3.430 3.430 4.055 -0.625 25449 7490 1 15 . 1 1 66 66 LEU C C 66 178.700 178.700 178.984 -0.284 25449 7491 1 15 . 1 1 66 66 LEU CA C 66 59.700 59.700 57.727 1.972 25449 7492 1 15 . 1 1 66 66 LEU CB C 66 41.100 41.100 41.578 -0.478 25449 7493 1 15 . 1 1 66 66 LEU H H 66 8.340 8.340 7.391 0.949 25449 7494 1 15 . 1 1 67 67 TYR N N 67 116.200 116.200 119.894 -3.694 25449 7495 1 15 . 1 1 67 67 TYR HA H 67 4.010 4.010 4.072 -0.062 25449 7496 1 15 . 1 1 67 67 TYR C C 67 177.700 177.700 177.281 0.419 25449 7497 1 15 . 1 1 67 67 TYR CA C 67 60.500 60.500 62.388 -1.888 25449 7498 1 15 . 1 1 67 67 TYR CB C 67 38.100 38.100 38.420 -0.320 25449 7499 1 15 . 1 1 67 67 TYR H H 67 7.760 7.760 7.975 -0.215 25449 7500 1 15 . 1 1 68 68 ASN N N 68 113.900 113.900 115.029 -1.129 25449 7501 1 15 . 1 1 68 68 ASN HA H 68 4.430 4.430 4.656 -0.226 25449 7502 1 15 . 1 1 68 68 ASN C C 68 176.400 176.400 176.045 0.355 25449 7503 1 15 . 1 1 68 68 ASN CA C 68 55.600 55.600 54.801 0.799 25449 7504 1 15 . 1 1 68 68 ASN CB C 68 41.400 41.400 38.360 3.040 25449 7505 1 15 . 1 1 68 68 ASN H H 68 7.480 7.480 8.136 -0.656 25449 7506 1 15 . 1 1 69 69 MET N N 69 114.900 114.900 115.920 -1.020 25449 7507 1 15 . 1 1 69 69 MET HA H 69 4.760 4.760 4.536 0.224 25449 7508 1 15 . 1 1 69 69 MET C C 69 177.000 177.000 176.373 0.627 25449 7509 1 15 . 1 1 69 69 MET CA C 69 53.500 53.500 54.379 -0.879 25449 7510 1 15 . 1 1 69 69 MET CB C 69 31.100 31.100 32.475 -1.375 25449 7511 1 15 . 1 1 69 69 MET H H 69 8.310 8.310 7.432 0.878 25449 7512 1 15 . 1 1 70 70 ASN N N 70 117.700 117.700 117.523 0.177 25449 7513 1 15 . 1 1 70 70 ASN HA H 70 4.370 4.370 4.538 -0.168 25449 7514 1 15 . 1 1 70 70 ASN C C 70 176.400 176.400 175.748 0.652 25449 7515 1 15 . 1 1 70 70 ASN CA C 70 56.100 56.100 55.934 0.166 25449 7516 1 15 . 1 1 70 70 ASN CB C 70 38.700 38.700 39.160 -0.460 25449 7517 1 15 . 1 1 70 70 ASN H H 70 7.660 7.660 7.758 -0.098 25449 7518 1 15 . 1 1 71 71 ASN N N 71 121.500 121.500 115.721 5.779 25449 7519 1 15 . 1 1 71 71 ASN HA H 71 4.510 4.510 4.627 -0.117 25449 7520 1 15 . 1 1 71 71 ASN C C 71 173.300 173.300 175.281 -1.981 25449 7521 1 15 . 1 1 71 71 ASN CA C 71 55.800 55.800 53.746 2.054 25449 7522 1 15 . 1 1 71 71 ASN CB C 71 38.200 38.200 38.805 -0.605 25449 7523 1 15 . 1 1 71 71 ASN H H 71 8.600 8.600 8.305 0.295 25449 7524 1 15 . 1 1 72 72 PHE N N 72 122.300 122.300 122.234 0.066 25449 7525 1 15 . 1 1 72 72 PHE HA H 72 4.190 4.190 4.505 -0.315 25449 7526 1 15 . 1 1 72 72 PHE C C 72 174.100 174.100 174.162 -0.062 25449 7527 1 15 . 1 1 72 72 PHE CA C 72 58.700 58.700 57.659 1.041 25449 7528 1 15 . 1 1 72 72 PHE CB C 72 41.300 41.300 40.206 1.094 25449 7529 1 15 . 1 1 72 72 PHE H H 72 7.870 7.870 7.758 0.112 25449 7530 1 15 . 1 1 73 73 GLU N N 73 126.100 126.100 127.306 -1.206 25449 7531 1 15 . 1 1 73 73 GLU HA H 73 4.230 4.230 4.391 -0.161 25449 7532 1 15 . 1 1 73 73 GLU C C 73 173.000 173.000 174.355 -1.355 25449 7533 1 15 . 1 1 73 73 GLU CA C 73 55.600 55.600 53.987 1.613 25449 7534 1 15 . 1 1 73 73 GLU CB C 73 30.300 30.300 31.745 -1.445 25449 7535 1 15 . 1 1 73 73 GLU H H 73 7.690 7.690 8.130 -0.440 25449 7536 1 15 . 1 1 74 74 LEU N N 74 128.900 128.900 123.198 5.702 25449 7537 1 15 . 1 1 74 74 LEU HA H 74 4.520 4.520 4.344 0.176 25449 7538 1 15 . 1 1 74 74 LEU C C 74 175.500 175.500 175.476 0.024 25449 7539 1 15 . 1 1 74 74 LEU CA C 74 53.300 53.300 54.439 -1.139 25449 7540 1 15 . 1 1 74 74 LEU CB C 74 44.600 44.600 42.993 1.607 25449 7541 1 15 . 1 1 74 74 LEU H H 74 8.620 8.620 7.936 0.684 25449 7542 1 15 . 1 1 75 75 ASN N N 75 126.800 126.800 121.488 5.312 25449 7543 1 15 . 1 1 75 75 ASN HA H 75 4.210 4.210 4.420 -0.210 25449 7544 1 15 . 1 1 75 75 ASN C C 75 175.600 175.600 175.581 0.019 25449 7545 1 15 . 1 1 75 75 ASN CA C 75 53.900 53.900 53.633 0.267 25449 7546 1 15 . 1 1 75 75 ASN CB C 75 36.900 36.900 37.374 -0.474 25449 7547 1 15 . 1 1 75 75 ASN H H 75 9.520 9.520 8.938 0.582 25449 7548 1 15 . 1 1 76 76 GLY N N 76 102.300 102.300 105.171 -2.871 25449 7549 1 15 . 1 1 76 76 GLY C C 76 173.600 173.600 173.196 0.404 25449 7550 1 15 . 1 1 76 76 GLY CA C 76 45.300 45.300 45.203 0.097 25449 7551 1 15 . 1 1 76 76 GLY H H 76 8.500 8.500 8.344 0.156 25449 7552 1 15 . 1 1 77 77 LYS N N 77 120.800 120.800 119.003 1.797 25449 7553 1 15 . 1 1 77 77 LYS HA H 77 4.570 4.570 4.462 0.108 25449 7554 1 15 . 1 1 77 77 LYS C C 77 175.100 175.100 174.683 0.417 25449 7555 1 15 . 1 1 77 77 LYS CA C 77 54.200 54.200 54.538 -0.337 25449 7556 1 15 . 1 1 77 77 LYS CB C 77 34.500 34.500 34.273 0.227 25449 7557 1 15 . 1 1 77 77 LYS H H 77 7.580 7.580 7.440 0.140 25449 7558 1 15 . 1 1 78 78 ARG N N 78 123.300 123.300 123.971 -0.671 25449 7559 1 15 . 1 1 78 78 ARG HA H 78 4.480 4.480 4.594 -0.114 25449 7560 1 15 . 1 1 78 78 ARG C C 78 176.600 176.600 175.662 0.938 25449 7561 1 15 . 1 1 78 78 ARG CA C 78 55.300 55.300 54.405 0.895 25449 7562 1 15 . 1 1 78 78 ARG CB C 78 30.300 30.300 30.604 -0.304 25449 7563 1 15 . 1 1 78 78 ARG H H 78 8.580 8.580 8.495 0.085 25449 7564 1 15 . 1 1 79 79 ILE N N 79 120.100 120.100 123.768 -3.668 25449 7565 1 15 . 1 1 79 79 ILE HA H 79 4.700 4.700 4.305 0.395 25449 7566 1 15 . 1 1 79 79 ILE C C 79 175.200 175.200 174.953 0.247 25449 7567 1 15 . 1 1 79 79 ILE CA C 79 60.000 60.000 60.601 -0.601 25449 7568 1 15 . 1 1 79 79 ILE CB C 79 39.400 39.400 38.592 0.808 25449 7569 1 15 . 1 1 79 79 ILE H H 79 8.450 8.450 8.382 0.068 25449 7570 1 15 . 1 1 80 80 HIS N N 80 119.900 119.900 125.992 -6.092 25449 7571 1 15 . 1 1 80 80 HIS HA H 80 5.190 5.190 4.698 0.492 25449 7572 1 15 . 1 1 80 80 HIS C C 80 173.600 173.600 174.231 -0.631 25449 7573 1 15 . 1 1 80 80 HIS CA C 80 53.800 53.800 55.795 -1.995 25449 7574 1 15 . 1 1 80 80 HIS CB C 80 31.300 31.300 30.864 0.436 25449 7575 1 15 . 1 1 80 80 HIS H H 80 8.580 8.580 8.527 0.053 25449 7576 1 15 . 1 1 81 81 VAL N N 81 123.800 123.800 126.752 -2.952 25449 7577 1 15 . 1 1 81 81 VAL HA H 81 5.280 5.280 4.301 0.979 25449 7578 1 15 . 1 1 81 81 VAL C C 81 173.600 173.600 174.244 -0.644 25449 7579 1 15 . 1 1 81 81 VAL CA C 81 60.200 60.200 61.090 -0.890 25449 7580 1 15 . 1 1 81 81 VAL CB C 81 35.000 35.000 33.114 1.886 25449 7581 1 15 . 1 1 81 81 VAL H H 81 8.650 8.650 8.095 0.555 25449 7582 1 15 . 1 1 82 82 ASN N N 82 121.100 121.100 124.314 -3.214 25449 7583 1 15 . 1 1 82 82 ASN HA H 82 4.750 4.750 5.097 -0.347 25449 7584 1 15 . 1 1 82 82 ASN C C 82 174.000 174.000 172.940 1.060 25449 7585 1 15 . 1 1 82 82 ASN CA C 82 51.900 51.900 51.850 0.050 25449 7586 1 15 . 1 1 82 82 ASN CB C 82 42.900 42.900 42.130 0.770 25449 7587 1 15 . 1 1 82 82 ASN H H 82 8.890 8.890 8.097 0.793 25449 7588 1 15 . 1 1 83 83 TYR N N 83 120.400 120.400 121.072 -0.672 25449 7589 1 15 . 1 1 83 83 TYR HA H 83 4.800 4.800 4.803 -0.003 25449 7590 1 15 . 1 1 83 83 TYR C C 83 177.100 177.100 174.969 2.131 25449 7591 1 15 . 1 1 83 83 TYR CA C 83 59.400 59.400 58.014 1.386 25449 7592 1 15 . 1 1 83 83 TYR CB C 83 38.700 38.700 40.270 -1.570 25449 7593 1 15 . 1 1 83 83 TYR H H 83 8.480 8.480 8.736 -0.256 25449 7594 1 15 . 1 1 84 84 SER N N 84 118.000 118.000 117.352 0.648 25449 7595 1 15 . 1 1 84 84 SER HA H 84 4.520 4.520 4.686 -0.166 25449 7596 1 15 . 1 1 84 84 SER C C 84 174.100 174.100 173.386 0.714 25449 7597 1 15 . 1 1 84 84 SER CA C 84 57.700 57.700 56.416 1.284 25449 7598 1 15 . 1 1 84 84 SER CB C 84 64.300 64.300 65.317 -1.017 25449 7599 1 15 . 1 1 84 84 SER H H 84 9.040 9.040 7.372 1.668 25449 7600 1 15 . 1 1 85 85 LYS N N 85 125.300 125.300 126.406 -1.106 25449 7601 1 15 . 1 1 85 85 LYS HA H 85 4.440 4.440 3.983 0.457 25449 7602 1 15 . 1 1 85 85 LYS C C 85 175.600 175.600 176.009 -0.409 25449 7603 1 15 . 1 1 85 85 LYS CA C 85 56.300 56.300 57.037 -0.737 25449 7604 1 15 . 1 1 85 85 LYS CB C 85 33.700 33.700 31.919 1.781 25449 7605 1 15 . 1 1 85 85 LYS H H 85 8.410 8.410 8.541 -0.131 25449 7606 1 16 . 1 1 -1 -1 SER N N -1 115.600 115.600 115.848 -0.248 25449 7607 1 16 . 1 1 -1 -1 SER HA H -1 4.410 4.410 4.709 -0.299 25449 7608 1 16 . 1 1 -1 -1 SER C C -1 172.000 172.000 173.747 -1.747 25449 7609 1 16 . 1 1 -1 -1 SER CA C -1 58.200 58.200 58.919 -0.719 25449 7610 1 16 . 1 1 -1 -1 SER CB C -1 63.900 63.900 64.566 -0.666 25449 7611 1 16 . 1 1 -1 -1 SER H H -1 8.670 8.670 8.638 0.032 25449 7612 1 16 . 1 1 0 0 HIS N N 0 121.200 121.200 119.741 1.459 25449 7613 1 16 . 1 1 0 0 HIS HA H 0 4.590 4.590 4.696 -0.106 25449 7614 1 16 . 1 1 0 0 HIS C C 0 174.800 174.800 173.535 1.265 25449 7615 1 16 . 1 1 0 0 HIS CA C 0 56.100 56.100 56.621 -0.521 25449 7616 1 16 . 1 1 0 0 HIS CB C 0 29.900 29.900 32.189 -2.289 25449 7617 1 16 . 1 1 0 0 HIS H H 0 8.730 8.730 7.727 1.003 25449 7618 1 16 . 1 1 1 1 MET N N 1 121.800 121.800 118.352 3.448 25449 7619 1 16 . 1 1 1 1 MET HA H 1 4.370 4.370 4.465 -0.095 25449 7620 1 16 . 1 1 1 1 MET C C 1 176.300 176.300 175.165 1.135 25449 7621 1 16 . 1 1 1 1 MET CA C 1 55.700 55.700 55.547 0.153 25449 7622 1 16 . 1 1 1 1 MET CB C 1 32.800 32.800 34.391 -1.591 25449 7623 1 16 . 1 1 1 1 MET H H 1 8.450 8.450 7.844 0.606 25449 7624 1 16 . 1 1 2 2 SER N N 2 116.700 116.700 114.835 1.865 25449 7625 1 16 . 1 1 2 2 SER HA H 2 4.370 4.370 4.167 0.203 25449 7626 1 16 . 1 1 2 2 SER C C 2 174.200 174.200 172.986 1.214 25449 7627 1 16 . 1 1 2 2 SER CA C 2 58.400 58.400 59.098 -0.698 25449 7628 1 16 . 1 1 2 2 SER CB C 2 63.800 63.800 63.186 0.614 25449 7629 1 16 . 1 1 2 2 SER H H 2 8.410 8.410 7.509 0.901 25449 7630 1 16 . 1 1 3 3 ASP N N 3 122.100 122.100 122.733 -0.633 25449 7631 1 16 . 1 1 3 3 ASP HA H 3 4.550 4.550 4.865 -0.315 25449 7632 1 16 . 1 1 3 3 ASP C C 3 176.100 176.100 174.829 1.271 25449 7633 1 16 . 1 1 3 3 ASP CA C 3 54.500 54.500 53.425 1.075 25449 7634 1 16 . 1 1 3 3 ASP CB C 3 41.200 41.200 41.278 -0.078 25449 7635 1 16 . 1 1 3 3 ASP H H 3 8.340 8.340 8.419 -0.079 25449 7636 1 16 . 1 1 4 4 ASN N N 4 119.100 119.100 121.031 -1.931 25449 7637 1 16 . 1 1 4 4 ASN HA H 4 4.580 4.580 4.738 -0.158 25449 7638 1 16 . 1 1 4 4 ASN C C 4 174.900 174.900 174.112 0.788 25449 7639 1 16 . 1 1 4 4 ASN CA C 4 53.700 53.700 52.459 1.241 25449 7640 1 16 . 1 1 4 4 ASN CB C 4 38.900 38.900 39.700 -0.800 25449 7641 1 16 . 1 1 4 4 ASN H H 4 8.420 8.420 8.374 0.046 25449 7642 1 16 . 1 1 5 5 ASN N N 5 118.400 118.400 117.833 0.567 25449 7643 1 16 . 1 1 5 5 ASN HA H 5 4.540 4.540 4.680 -0.140 25449 7644 1 16 . 1 1 5 5 ASN C C 5 173.900 173.900 174.594 -0.694 25449 7645 1 16 . 1 1 5 5 ASN CA C 5 53.200 53.200 52.925 0.276 25449 7646 1 16 . 1 1 5 5 ASN CB C 5 38.700 38.700 38.761 -0.061 25449 7647 1 16 . 1 1 5 5 ASN H H 5 8.340 8.340 8.431 -0.091 25449 7648 1 16 . 1 1 6 6 ALA N N 6 122.100 122.100 123.880 -1.780 25449 7649 1 16 . 1 1 6 6 ALA HA H 6 2.740 2.740 4.298 -1.558 25449 7650 1 16 . 1 1 6 6 ALA C C 6 177.000 177.000 177.142 -0.142 25449 7651 1 16 . 1 1 6 6 ALA CA C 6 52.300 52.300 52.917 -0.617 25449 7652 1 16 . 1 1 6 6 ALA CB C 6 20.000 20.000 18.756 1.244 25449 7653 1 16 . 1 1 6 6 ALA H H 6 7.590 7.590 7.697 -0.107 25449 7654 1 16 . 1 1 7 7 THR N N 7 112.700 112.700 118.824 -6.124 25449 7655 1 16 . 1 1 7 7 THR HA H 7 4.390 4.390 4.358 0.032 25449 7656 1 16 . 1 1 7 7 THR C C 7 171.700 171.700 175.045 -3.345 25449 7657 1 16 . 1 1 7 7 THR CA C 7 59.800 59.800 61.219 -1.419 25449 7658 1 16 . 1 1 7 7 THR CB C 7 70.600 70.600 69.847 0.754 25449 7659 1 16 . 1 1 7 7 THR H H 7 6.840 6.840 7.974 -1.134 25449 7660 1 16 . 1 1 8 8 ASP N N 8 114.600 114.600 122.691 -8.091 25449 7661 1 16 . 1 1 8 8 ASP HA H 8 4.490 4.490 4.231 0.259 25449 7662 1 16 . 1 1 8 8 ASP C C 8 174.300 174.300 174.449 -0.149 25449 7663 1 16 . 1 1 8 8 ASP CA C 8 53.500 53.500 55.657 -2.157 25449 7664 1 16 . 1 1 8 8 ASP CB C 8 39.800 39.800 39.650 0.150 25449 7665 1 16 . 1 1 8 8 ASP H H 8 8.170 8.170 8.810 -0.640 25449 7666 1 16 . 1 1 9 9 ILE N N 9 117.800 117.800 118.914 -1.114 25449 7667 1 16 . 1 1 9 9 ILE HA H 9 4.810 4.810 5.101 -0.291 25449 7668 1 16 . 1 1 9 9 ILE C C 9 174.700 174.700 174.447 0.253 25449 7669 1 16 . 1 1 9 9 ILE CA C 9 60.600 60.600 60.079 0.521 25449 7670 1 16 . 1 1 9 9 ILE CB C 9 40.300 40.300 40.143 0.157 25449 7671 1 16 . 1 1 9 9 ILE H H 9 7.890 7.890 7.412 0.478 25449 7672 1 16 . 1 1 10 10 LEU N N 10 125.300 125.300 126.728 -1.428 25449 7673 1 16 . 1 1 10 10 LEU HA H 10 4.960 4.960 4.874 0.086 25449 7674 1 16 . 1 1 10 10 LEU C C 10 176.100 176.100 174.953 1.147 25449 7675 1 16 . 1 1 10 10 LEU CA C 10 52.900 52.900 53.823 -0.923 25449 7676 1 16 . 1 1 10 10 LEU CB C 10 43.100 43.100 45.340 -2.240 25449 7677 1 16 . 1 1 10 10 LEU H H 10 9.370 9.370 8.089 1.281 25449 7678 1 16 . 1 1 11 11 PHE N N 11 124.300 124.300 126.621 -2.321 25449 7679 1 16 . 1 1 11 11 PHE HA H 11 4.670 4.670 4.794 -0.124 25449 7680 1 16 . 1 1 11 11 PHE C C 11 173.400 173.400 174.270 -0.870 25449 7681 1 16 . 1 1 11 11 PHE CA C 11 57.000 57.000 57.624 -0.624 25449 7682 1 16 . 1 1 11 11 PHE CB C 11 40.700 40.700 41.268 -0.568 25449 7683 1 16 . 1 1 11 11 PHE H H 11 9.310 9.310 8.337 0.973 25449 7684 1 16 . 1 1 12 12 VAL N N 12 128.300 128.300 124.679 3.621 25449 7685 1 16 . 1 1 12 12 VAL HA H 12 4.420 4.420 4.304 0.116 25449 7686 1 16 . 1 1 12 12 VAL C C 12 173.900 173.900 174.360 -0.460 25449 7687 1 16 . 1 1 12 12 VAL CA C 12 60.200 60.200 60.077 0.123 25449 7688 1 16 . 1 1 12 12 VAL CB C 12 33.100 33.100 35.698 -2.598 25449 7689 1 16 . 1 1 12 12 VAL H H 12 8.380 8.380 7.575 0.805 25449 7690 1 16 . 1 1 13 13 GLY N N 13 111.800 111.800 111.055 0.745 25449 7691 1 16 . 1 1 13 13 GLY C C 13 173.800 173.800 173.689 0.111 25449 7692 1 16 . 1 1 13 13 GLY CA C 13 43.400 43.400 43.711 -0.311 25449 7693 1 16 . 1 1 13 13 GLY H H 13 9.150 9.150 8.526 0.624 25449 7694 1 16 . 1 1 14 14 GLY N N 14 107.600 107.600 107.048 0.552 25449 7695 1 16 . 1 1 14 14 GLY C C 14 175.400 175.400 173.987 1.413 25449 7696 1 16 . 1 1 14 14 GLY CA C 14 45.800 45.800 44.427 1.373 25449 7697 1 16 . 1 1 14 14 GLY H H 14 8.260 8.260 8.339 -0.079 25449 7698 1 16 . 1 1 15 15 ILE N N 15 111.100 111.100 121.106 -10.006 25449 7699 1 16 . 1 1 15 15 ILE HA H 15 4.040 4.040 4.378 -0.338 25449 7700 1 16 . 1 1 15 15 ILE C C 15 175.500 175.500 175.362 0.138 25449 7701 1 16 . 1 1 15 15 ILE CA C 15 60.500 60.500 58.805 1.695 25449 7702 1 16 . 1 1 15 15 ILE CB C 15 38.500 38.500 40.095 -1.595 25449 7703 1 16 . 1 1 15 15 ILE H H 15 6.930 6.930 7.496 -0.566 25449 7704 1 16 . 1 1 16 16 ASP N N 16 122.800 122.800 120.114 2.686 25449 7705 1 16 . 1 1 16 16 ASP HA H 16 4.580 4.580 4.473 0.107 25449 7706 1 16 . 1 1 16 16 ASP C C 16 177.200 177.200 176.936 0.264 25449 7707 1 16 . 1 1 16 16 ASP CA C 16 53.700 53.700 54.477 -0.777 25449 7708 1 16 . 1 1 16 16 ASP CB C 16 42.500 42.500 41.529 0.972 25449 7709 1 16 . 1 1 16 16 ASP H H 16 8.320 8.320 8.619 -0.299 25449 7710 1 16 . 1 1 17 17 GLU N N 17 119.600 119.600 117.094 2.506 25449 7711 1 16 . 1 1 17 17 GLU HA H 17 4.140 4.140 4.323 -0.183 25449 7712 1 16 . 1 1 17 17 GLU C C 17 176.800 176.800 176.396 0.404 25449 7713 1 16 . 1 1 17 17 GLU CA C 17 58.600 58.600 57.036 1.564 25449 7714 1 16 . 1 1 17 17 GLU CB C 17 29.800 29.800 29.175 0.625 25449 7715 1 16 . 1 1 17 17 GLU H H 17 8.830 8.830 8.639 0.191 25449 7716 1 16 . 1 1 18 18 THR N N 18 111.300 111.300 114.472 -3.172 25449 7717 1 16 . 1 1 18 18 THR HA H 18 4.250 4.250 4.453 -0.203 25449 7718 1 16 . 1 1 18 18 THR C C 18 175.200 175.200 174.112 1.088 25449 7719 1 16 . 1 1 18 18 THR CA C 18 62.600 62.600 61.197 1.403 25449 7720 1 16 . 1 1 18 18 THR CB C 18 69.600 69.600 68.870 0.730 25449 7721 1 16 . 1 1 18 18 THR H H 18 8.740 8.740 7.777 0.963 25449 7722 1 16 . 1 1 19 19 ILE N N 19 123.300 123.300 116.977 6.323 25449 7723 1 16 . 1 1 19 19 ILE HA H 19 3.880 3.880 4.367 -0.487 25449 7724 1 16 . 1 1 19 19 ILE C C 19 174.300 174.300 173.981 0.319 25449 7725 1 16 . 1 1 19 19 ILE CA C 19 59.900 59.900 58.124 1.776 25449 7726 1 16 . 1 1 19 19 ILE CB C 19 35.600 35.600 39.188 -3.588 25449 7727 1 16 . 1 1 19 19 ILE H H 19 7.220 7.220 7.339 -0.119 25449 7728 1 16 . 1 1 20 20 ASP N N 20 125.600 125.600 121.376 4.224 25449 7729 1 16 . 1 1 20 20 ASP HA H 20 4.640 4.640 4.713 -0.073 25449 7730 1 16 . 1 1 20 20 ASP C C 20 175.300 175.300 177.287 -1.987 25449 7731 1 16 . 1 1 20 20 ASP CA C 20 51.500 51.500 53.238 -1.738 25449 7732 1 16 . 1 1 20 20 ASP CB C 20 43.000 43.000 43.872 -0.872 25449 7733 1 16 . 1 1 20 20 ASP H H 20 7.790 7.790 8.286 -0.496 25449 7734 1 16 . 1 1 21 21 GLU N N 21 118.400 118.400 120.722 -2.322 25449 7735 1 16 . 1 1 21 21 GLU HA H 21 3.630 3.630 4.016 -0.386 25449 7736 1 16 . 1 1 21 21 GLU C C 21 177.900 177.900 177.993 -0.093 25449 7737 1 16 . 1 1 21 21 GLU CA C 21 60.900 60.900 59.956 0.944 25449 7738 1 16 . 1 1 21 21 GLU CB C 21 29.200 29.200 29.597 -0.397 25449 7739 1 16 . 1 1 21 21 GLU H H 21 9.220 9.220 8.849 0.371 25449 7740 1 16 . 1 1 22 22 LYS N N 22 119.700 119.700 117.258 2.442 25449 7741 1 16 . 1 1 22 22 LYS HA H 22 4.060 4.060 4.161 -0.101 25449 7742 1 16 . 1 1 22 22 LYS C C 22 178.500 178.500 178.646 -0.146 25449 7743 1 16 . 1 1 22 22 LYS CA C 22 59.300 59.300 59.024 0.276 25449 7744 1 16 . 1 1 22 22 LYS CB C 22 31.800 31.800 31.433 0.366 25449 7745 1 16 . 1 1 22 22 LYS H H 22 8.040 8.040 8.546 -0.506 25449 7746 1 16 . 1 1 23 23 SER N N 23 114.900 114.900 115.856 -0.956 25449 7747 1 16 . 1 1 23 23 SER HA H 23 4.300 4.300 4.304 -0.004 25449 7748 1 16 . 1 1 23 23 SER C C 23 177.600 177.600 176.126 1.474 25449 7749 1 16 . 1 1 23 23 SER CA C 23 61.800 61.800 61.320 0.480 25449 7750 1 16 . 1 1 23 23 SER CB C 23 62.900 62.900 62.379 0.521 25449 7751 1 16 . 1 1 23 23 SER H H 23 8.240 8.240 8.400 -0.160 25449 7752 1 16 . 1 1 24 24 LEU N N 24 118.800 118.800 120.432 -1.632 25449 7753 1 16 . 1 1 24 24 LEU HA H 24 4.180 4.180 4.299 -0.119 25449 7754 1 16 . 1 1 24 24 LEU C C 24 178.700 178.700 178.519 0.181 25449 7755 1 16 . 1 1 24 24 LEU CA C 24 57.300 57.300 56.288 1.012 25449 7756 1 16 . 1 1 24 24 LEU CB C 24 42.100 42.100 41.920 0.180 25449 7757 1 16 . 1 1 24 24 LEU H H 24 7.750 7.750 7.455 0.295 25449 7758 1 16 . 1 1 25 25 TYR N N 25 123.200 123.200 120.862 2.338 25449 7759 1 16 . 1 1 25 25 TYR HA H 25 3.630 3.630 4.123 -0.493 25449 7760 1 16 . 1 1 25 25 TYR C C 25 178.600 178.600 177.054 1.546 25449 7761 1 16 . 1 1 25 25 TYR CA C 25 63.200 63.200 60.597 2.603 25449 7762 1 16 . 1 1 25 25 TYR CB C 25 38.200 38.200 38.809 -0.609 25449 7763 1 16 . 1 1 25 25 TYR H H 25 8.970 8.970 7.364 1.606 25449 7764 1 16 . 1 1 26 26 ASP N N 26 119.800 119.800 118.441 1.359 25449 7765 1 16 . 1 1 26 26 ASP HA H 26 4.270 4.270 4.605 -0.335 25449 7766 1 16 . 1 1 26 26 ASP C C 26 177.900 177.900 178.259 -0.359 25449 7767 1 16 . 1 1 26 26 ASP CA C 26 57.700 57.700 57.780 -0.080 25449 7768 1 16 . 1 1 26 26 ASP CB C 26 40.000 40.000 41.090 -1.090 25449 7769 1 16 . 1 1 26 26 ASP H H 26 8.510 8.510 7.765 0.745 25449 7770 1 16 . 1 1 27 27 ILE N N 27 114.700 114.700 119.092 -4.392 25449 7771 1 16 . 1 1 27 27 ILE HA H 27 3.960 3.960 3.879 0.081 25449 7772 1 16 . 1 1 27 27 ILE C C 27 177.700 177.700 177.860 -0.160 25449 7773 1 16 . 1 1 27 27 ILE CA C 27 63.300 63.300 64.990 -1.690 25449 7774 1 16 . 1 1 27 27 ILE CB C 27 39.000 39.000 38.378 0.622 25449 7775 1 16 . 1 1 27 27 ILE H H 27 7.320 7.320 7.625 -0.305 25449 7776 1 16 . 1 1 28 28 PHE N N 28 116.900 116.900 116.210 0.690 25449 7777 1 16 . 1 1 28 28 PHE HA H 28 4.370 4.370 4.540 -0.170 25449 7778 1 16 . 1 1 28 28 PHE C C 28 179.900 179.900 176.398 3.502 25449 7779 1 16 . 1 1 28 28 PHE CA C 28 62.300 62.300 59.038 3.263 25449 7780 1 16 . 1 1 28 28 PHE CB C 28 37.300 37.300 38.710 -1.410 25449 7781 1 16 . 1 1 28 28 PHE H H 28 8.650 8.650 8.250 0.400 25449 7782 1 16 . 1 1 29 29 SER N N 29 120.100 120.100 112.148 7.952 25449 7783 1 16 . 1 1 29 29 SER HA H 29 4.410 4.410 4.648 -0.238 25449 7784 1 16 . 1 1 29 29 SER C C 29 175.600 175.600 175.474 0.126 25449 7785 1 16 . 1 1 29 29 SER CA C 29 61.300 61.300 59.097 2.203 25449 7786 1 16 . 1 1 29 29 SER CB C 29 62.200 62.200 63.490 -1.290 25449 7787 1 16 . 1 1 29 29 SER H H 29 8.880 8.880 7.514 1.366 25449 7788 1 16 . 1 1 30 30 SER N N 30 116.200 116.200 117.304 -1.104 25449 7789 1 16 . 1 1 30 30 SER HA H 30 3.940 3.940 4.235 -0.295 25449 7790 1 16 . 1 1 30 30 SER C C 30 174.900 174.900 175.229 -0.329 25449 7791 1 16 . 1 1 30 30 SER CA C 30 60.400 60.400 60.702 -0.302 25449 7792 1 16 . 1 1 30 30 SER CB C 30 62.400 62.400 63.161 -0.761 25449 7793 1 16 . 1 1 30 30 SER H H 30 7.270 7.270 8.017 -0.747 25449 7794 1 16 . 1 1 31 31 PHE N N 31 115.600 115.600 121.553 -5.953 25449 7795 1 16 . 1 1 31 31 PHE HA H 31 4.280 4.280 4.610 -0.330 25449 7796 1 16 . 1 1 31 31 PHE C C 31 174.100 174.100 176.279 -2.179 25449 7797 1 16 . 1 1 31 31 PHE CA C 31 58.900 58.900 59.345 -0.445 25449 7798 1 16 . 1 1 31 31 PHE CB C 31 39.300 39.300 40.495 -1.195 25449 7799 1 16 . 1 1 31 31 PHE H H 31 6.980 6.980 7.697 -0.717 25449 7800 1 16 . 1 1 32 32 GLY N N 32 104.900 104.900 107.051 -2.151 25449 7801 1 16 . 1 1 32 32 GLY C C 32 171.600 171.600 172.708 -1.108 25449 7802 1 16 . 1 1 32 32 GLY CA C 32 44.300 44.300 44.399 -0.099 25449 7803 1 16 . 1 1 32 32 GLY H H 32 7.300 7.300 7.648 -0.348 25449 7804 1 16 . 1 1 33 33 ASP N N 33 116.100 116.100 126.283 -10.183 25449 7805 1 16 . 1 1 33 33 ASP HA H 33 4.510 4.510 4.441 0.069 25449 7806 1 16 . 1 1 33 33 ASP C C 33 176.800 176.800 174.481 2.319 25449 7807 1 16 . 1 1 33 33 ASP CA C 33 55.400 55.400 55.786 -0.386 25449 7808 1 16 . 1 1 33 33 ASP CB C 33 40.600 40.600 42.176 -1.576 25449 7809 1 16 . 1 1 33 33 ASP H H 33 8.120 8.120 8.453 -0.333 25449 7810 1 16 . 1 1 34 34 ILE N N 34 126.400 126.400 119.324 7.076 25449 7811 1 16 . 1 1 34 34 ILE HA H 34 3.850 3.850 4.096 -0.246 25449 7812 1 16 . 1 1 34 34 ILE C C 34 176.200 176.200 176.270 -0.070 25449 7813 1 16 . 1 1 34 34 ILE CA C 34 60.200 60.200 58.300 1.899 25449 7814 1 16 . 1 1 34 34 ILE CB C 34 39.900 39.900 38.873 1.028 25449 7815 1 16 . 1 1 34 34 ILE H H 34 8.670 8.670 8.005 0.665 25449 7816 1 16 . 1 1 35 35 ARG N N 35 128.900 128.900 127.374 1.526 25449 7817 1 16 . 1 1 35 35 ARG HA H 35 4.160 4.160 4.212 -0.052 25449 7818 1 16 . 1 1 35 35 ARG C C 35 175.600 175.600 175.847 -0.247 25449 7819 1 16 . 1 1 35 35 ARG CA C 35 57.500 57.500 57.712 -0.212 25449 7820 1 16 . 1 1 35 35 ARG CB C 35 31.700 31.700 31.218 0.482 25449 7821 1 16 . 1 1 35 35 ARG H H 35 9.320 9.320 8.494 0.826 25449 7822 1 16 . 1 1 36 36 ASN N N 36 114.300 114.300 114.103 0.197 25449 7823 1 16 . 1 1 36 36 ASN HA H 36 4.710 4.710 4.783 -0.073 25449 7824 1 16 . 1 1 36 36 ASN C C 36 172.000 172.000 172.799 -0.799 25449 7825 1 16 . 1 1 36 36 ASN CA C 36 53.500 53.500 53.124 0.376 25449 7826 1 16 . 1 1 36 36 ASN CB C 36 42.600 42.600 40.516 2.084 25449 7827 1 16 . 1 1 36 36 ASN H H 36 7.620 7.620 7.980 -0.360 25449 7828 1 16 . 1 1 37 37 ILE N N 37 122.700 122.700 120.799 1.901 25449 7829 1 16 . 1 1 37 37 ILE HA H 37 4.770 4.770 4.327 0.443 25449 7830 1 16 . 1 1 37 37 ILE C C 37 173.300 173.300 174.238 -0.938 25449 7831 1 16 . 1 1 37 37 ILE CA C 37 60.600 60.600 61.769 -1.169 25449 7832 1 16 . 1 1 37 37 ILE CB C 37 41.200 41.200 41.530 -0.330 25449 7833 1 16 . 1 1 37 37 ILE H H 37 8.030 8.030 8.470 -0.440 25449 7834 1 16 . 1 1 38 38 GLU N N 38 126.700 126.700 129.167 -2.467 25449 7835 1 16 . 1 1 38 38 GLU HA H 38 4.660 4.660 4.720 -0.060 25449 7836 1 16 . 1 1 38 38 GLU C C 38 174.800 174.800 174.187 0.613 25449 7837 1 16 . 1 1 38 38 GLU CA C 38 54.400 54.400 55.753 -1.353 25449 7838 1 16 . 1 1 38 38 GLU CB C 38 33.400 33.400 31.706 1.694 25449 7839 1 16 . 1 1 38 38 GLU H H 38 8.870 8.870 8.617 0.253 25449 7840 1 16 . 1 1 39 39 VAL N N 39 126.400 126.400 126.438 -0.038 25449 7841 1 16 . 1 1 39 39 VAL CA C 39 58.700 58.700 57.969 0.731 25449 7842 1 16 . 1 1 39 39 VAL CB C 39 32.600 32.600 34.193 -1.593 25449 7843 1 16 . 1 1 39 39 VAL H H 39 8.970 8.970 8.354 0.616 25449 7844 1 16 . 1 1 40 40 PRO HA H 40 4.230 4.230 4.616 -0.386 25449 7845 1 16 . 1 1 40 40 PRO C C 40 176.300 176.300 175.177 1.123 25449 7846 1 16 . 1 1 40 40 PRO CA C 40 63.300 63.300 62.709 0.591 25449 7847 1 16 . 1 1 40 40 PRO CB C 40 32.500 32.500 32.502 -0.002 25449 7848 1 16 . 1 1 41 41 LEU N N 41 120.700 120.700 122.804 -2.104 25449 7849 1 16 . 1 1 41 41 LEU HA H 41 4.520 4.520 4.601 -0.081 25449 7850 1 16 . 1 1 41 41 LEU C C 41 177.900 177.900 175.958 1.942 25449 7851 1 16 . 1 1 41 41 LEU CA C 41 53.100 53.100 54.075 -0.975 25449 7852 1 16 . 1 1 41 41 LEU CB C 41 44.300 44.300 45.236 -0.936 25449 7853 1 16 . 1 1 41 41 LEU H H 41 8.520 8.520 8.271 0.249 25449 7854 1 16 . 1 1 42 42 ASN N N 42 121.400 121.400 122.096 -0.696 25449 7855 1 16 . 1 1 42 42 ASN HA H 42 4.560 4.560 4.969 -0.409 25449 7856 1 16 . 1 1 42 42 ASN C C 42 176.700 176.700 176.233 0.467 25449 7857 1 16 . 1 1 42 42 ASN CA C 42 52.900 52.900 52.329 0.571 25449 7858 1 16 . 1 1 42 42 ASN CB C 42 39.000 39.000 40.107 -1.107 25449 7859 1 16 . 1 1 42 42 ASN H H 42 8.740 8.740 8.536 0.204 25449 7860 1 16 . 1 1 43 43 MET N N 43 125.500 125.500 124.312 1.188 25449 7861 1 16 . 1 1 43 43 MET HA H 43 4.210 4.210 4.384 -0.174 25449 7862 1 16 . 1 1 43 43 MET C C 43 177.200 177.200 176.108 1.092 25449 7863 1 16 . 1 1 43 43 MET CA C 43 57.100 57.100 57.200 -0.100 25449 7864 1 16 . 1 1 43 43 MET CB C 43 31.600 31.600 31.900 -0.300 25449 7865 1 16 . 1 1 43 43 MET H H 43 9.080 9.080 9.001 0.079 25449 7866 1 16 . 1 1 44 44 THR N N 44 114.400 114.400 113.117 1.283 25449 7867 1 16 . 1 1 44 44 THR HA H 44 4.160 4.160 4.329 -0.169 25449 7868 1 16 . 1 1 44 44 THR C C 44 175.900 175.900 175.505 0.395 25449 7869 1 16 . 1 1 44 44 THR CA C 44 65.200 65.200 64.542 0.658 25449 7870 1 16 . 1 1 44 44 THR CB C 44 68.700 68.700 69.117 -0.417 25449 7871 1 16 . 1 1 44 44 THR H H 44 8.590 8.590 7.935 0.655 25449 7872 1 16 . 1 1 45 45 THR N N 45 110.300 110.300 114.360 -4.060 25449 7873 1 16 . 1 1 45 45 THR HA H 45 4.160 4.160 4.426 -0.266 25449 7874 1 16 . 1 1 45 45 THR C C 45 175.500 175.500 173.817 1.683 25449 7875 1 16 . 1 1 45 45 THR CA C 45 62.000 62.000 61.377 0.623 25449 7876 1 16 . 1 1 45 45 THR CB C 45 70.000 70.000 69.680 0.320 25449 7877 1 16 . 1 1 45 45 THR H H 45 7.610 7.610 7.841 -0.231 25449 7878 1 16 . 1 1 46 46 LYS N N 46 115.700 115.700 121.184 -5.484 25449 7879 1 16 . 1 1 46 46 LYS HA H 46 3.720 3.720 3.862 -0.142 25449 7880 1 16 . 1 1 46 46 LYS C C 46 174.600 174.600 174.691 -0.091 25449 7881 1 16 . 1 1 46 46 LYS CA C 46 57.600 57.600 57.485 0.115 25449 7882 1 16 . 1 1 46 46 LYS CB C 46 28.900 28.900 30.846 -1.946 25449 7883 1 16 . 1 1 46 46 LYS H H 46 8.460 8.460 8.000 0.460 25449 7884 1 16 . 1 1 47 47 LYS N N 47 117.100 117.100 116.800 0.300 25449 7885 1 16 . 1 1 47 47 LYS HA H 47 4.680 4.680 4.222 0.458 25449 7886 1 16 . 1 1 47 47 LYS C C 47 176.300 176.300 177.113 -0.813 25449 7887 1 16 . 1 1 47 47 LYS CA C 47 54.000 54.000 56.223 -2.223 25449 7888 1 16 . 1 1 47 47 LYS CB C 47 35.100 35.100 32.592 2.508 25449 7889 1 16 . 1 1 47 47 LYS H H 47 7.610 7.610 8.029 -0.419 25449 7890 1 16 . 1 1 48 48 ASN N N 48 117.700 117.700 119.985 -2.285 25449 7891 1 16 . 1 1 48 48 ASN HA H 48 4.700 4.700 4.684 0.016 25449 7892 1 16 . 1 1 48 48 ASN C C 48 174.000 174.000 175.389 -1.389 25449 7893 1 16 . 1 1 48 48 ASN CA C 48 53.600 53.600 52.268 1.332 25449 7894 1 16 . 1 1 48 48 ASN CB C 48 37.700 37.700 39.157 -1.457 25449 7895 1 16 . 1 1 48 48 ASN H H 48 8.740 8.740 8.817 -0.077 25449 7896 1 16 . 1 1 49 49 ARG N N 49 116.800 116.800 116.800 0.000 25449 7897 1 16 . 1 1 49 49 ARG HA H 49 4.350 4.350 4.062 0.288 25449 7898 1 16 . 1 1 49 49 ARG C C 49 177.500 177.500 176.394 1.106 25449 7899 1 16 . 1 1 49 49 ARG CA C 49 55.600 55.600 56.541 -0.941 25449 7900 1 16 . 1 1 49 49 ARG CB C 49 31.600 31.600 27.201 4.399 25449 7901 1 16 . 1 1 49 49 ARG H H 49 8.530 8.530 8.112 0.418 25449 7902 1 16 . 1 1 50 50 GLY N N 50 108.300 108.300 105.404 2.896 25449 7903 1 16 . 1 1 50 50 GLY C C 50 173.500 173.500 173.298 0.202 25449 7904 1 16 . 1 1 50 50 GLY CA C 50 45.800 45.800 45.558 0.242 25449 7905 1 16 . 1 1 50 50 GLY H H 50 8.900 8.900 8.838 0.062 25449 7906 1 16 . 1 1 51 51 PHE N N 51 113.900 113.900 116.900 -3.000 25449 7907 1 16 . 1 1 51 51 PHE HA H 51 5.470 5.470 4.762 0.708 25449 7908 1 16 . 1 1 51 51 PHE C C 51 172.000 172.000 172.237 -0.237 25449 7909 1 16 . 1 1 51 51 PHE CA C 51 55.000 55.000 55.639 -0.639 25449 7910 1 16 . 1 1 51 51 PHE CB C 51 42.700 42.700 40.978 1.722 25449 7911 1 16 . 1 1 51 51 PHE H H 51 6.910 6.910 7.234 -0.324 25449 7912 1 16 . 1 1 52 52 ALA N N 52 120.500 120.500 125.753 -5.253 25449 7913 1 16 . 1 1 52 52 ALA HA H 52 4.630 4.630 4.411 0.219 25449 7914 1 16 . 1 1 52 52 ALA C C 52 173.900 173.900 174.366 -0.466 25449 7915 1 16 . 1 1 52 52 ALA CA C 52 50.200 50.200 50.414 -0.214 25449 7916 1 16 . 1 1 52 52 ALA CB C 52 25.100 25.100 22.461 2.639 25449 7917 1 16 . 1 1 52 52 ALA H H 52 8.810 8.810 7.877 0.933 25449 7918 1 16 . 1 1 53 53 PHE N N 53 115.000 115.000 119.048 -4.048 25449 7919 1 16 . 1 1 53 53 PHE HA H 53 5.660 5.660 4.842 0.818 25449 7920 1 16 . 1 1 53 53 PHE C C 53 175.600 175.600 175.326 0.274 25449 7921 1 16 . 1 1 53 53 PHE CA C 53 56.200 56.200 57.259 -1.059 25449 7922 1 16 . 1 1 53 53 PHE CB C 53 42.400 42.400 41.909 0.491 25449 7923 1 16 . 1 1 53 53 PHE H H 53 8.730 8.730 7.987 0.743 25449 7924 1 16 . 1 1 54 54 VAL N N 54 122.300 122.300 121.844 0.456 25449 7925 1 16 . 1 1 54 54 VAL HA H 54 4.100 4.100 4.260 -0.160 25449 7926 1 16 . 1 1 54 54 VAL C C 54 173.000 173.000 174.086 -1.086 25449 7927 1 16 . 1 1 54 54 VAL CA C 54 61.700 61.700 61.617 0.083 25449 7928 1 16 . 1 1 54 54 VAL CB C 54 34.400 34.400 34.817 -0.417 25449 7929 1 16 . 1 1 54 54 VAL H H 54 9.060 9.060 8.585 0.475 25449 7930 1 16 . 1 1 55 55 GLU N N 55 127.300 127.300 127.381 -0.081 25449 7931 1 16 . 1 1 55 55 GLU HA H 55 5.160 5.160 4.869 0.291 25449 7932 1 16 . 1 1 55 55 GLU C C 55 175.900 175.900 175.484 0.416 25449 7933 1 16 . 1 1 55 55 GLU CA C 55 54.000 54.000 54.365 -0.365 25449 7934 1 16 . 1 1 55 55 GLU CB C 55 31.700 31.700 31.440 0.260 25449 7935 1 16 . 1 1 55 55 GLU H H 55 8.860 8.860 8.170 0.690 25449 7936 1 16 . 1 1 56 56 TYR N N 56 127.500 127.500 123.904 3.596 25449 7937 1 16 . 1 1 56 56 TYR HA H 56 4.520 4.520 4.459 0.061 25449 7938 1 16 . 1 1 56 56 TYR C C 56 175.000 175.000 176.506 -1.506 25449 7939 1 16 . 1 1 56 56 TYR CA C 56 59.700 59.700 59.200 0.500 25449 7940 1 16 . 1 1 56 56 TYR CB C 56 40.200 40.200 40.055 0.145 25449 7941 1 16 . 1 1 56 56 TYR H H 56 9.470 9.470 8.879 0.591 25449 7942 1 16 . 1 1 57 57 VAL N N 57 119.200 119.200 119.310 -0.110 25449 7943 1 16 . 1 1 57 57 VAL HA H 57 3.570 3.570 4.001 -0.431 25449 7944 1 16 . 1 1 57 57 VAL C C 57 177.000 177.000 175.431 1.569 25449 7945 1 16 . 1 1 57 57 VAL CA C 57 66.300 66.300 64.581 1.719 25449 7946 1 16 . 1 1 57 57 VAL CB C 57 32.000 32.000 32.317 -0.317 25449 7947 1 16 . 1 1 57 57 VAL H H 57 7.800 7.800 8.016 -0.216 25449 7948 1 16 . 1 1 58 58 GLU N N 58 118.500 118.500 118.381 0.119 25449 7949 1 16 . 1 1 58 58 GLU HA H 58 4.780 4.780 4.573 0.207 25449 7950 1 16 . 1 1 58 58 GLU C C 58 177.500 177.500 176.330 1.170 25449 7951 1 16 . 1 1 58 58 GLU CA C 58 53.800 53.800 55.205 -1.405 25449 7952 1 16 . 1 1 58 58 GLU CB C 58 30.500 30.500 30.573 -0.073 25449 7953 1 16 . 1 1 58 58 GLU H H 58 9.530 9.530 8.086 1.444 25449 7954 1 16 . 1 1 59 59 VAL N N 59 125.200 125.200 124.282 0.918 25449 7955 1 16 . 1 1 59 59 VAL HA H 59 3.530 3.530 3.833 -0.303 25449 7956 1 16 . 1 1 59 59 VAL C C 59 177.600 177.600 176.737 0.863 25449 7957 1 16 . 1 1 59 59 VAL CA C 59 66.100 66.100 65.005 1.095 25449 7958 1 16 . 1 1 59 59 VAL CB C 59 31.700 31.700 32.319 -0.619 25449 7959 1 16 . 1 1 59 59 VAL H H 59 8.650 8.650 8.727 -0.077 25449 7960 1 16 . 1 1 60 60 ASP N N 60 118.500 118.500 119.459 -0.959 25449 7961 1 16 . 1 1 60 60 ASP HA H 60 4.220 4.220 4.442 -0.222 25449 7962 1 16 . 1 1 60 60 ASP C C 60 178.300 178.300 177.659 0.641 25449 7963 1 16 . 1 1 60 60 ASP CA C 60 57.600 57.600 57.707 -0.107 25449 7964 1 16 . 1 1 60 60 ASP CB C 60 40.500 40.500 40.516 -0.016 25449 7965 1 16 . 1 1 60 60 ASP H H 60 8.970 8.970 8.514 0.456 25449 7966 1 16 . 1 1 61 61 ASP N N 61 119.900 119.900 120.048 -0.148 25449 7967 1 16 . 1 1 61 61 ASP HA H 61 4.360 4.360 4.296 0.064 25449 7968 1 16 . 1 1 61 61 ASP C C 61 176.800 176.800 178.239 -1.439 25449 7969 1 16 . 1 1 61 61 ASP CA C 61 56.900 56.900 57.294 -0.394 25449 7970 1 16 . 1 1 61 61 ASP CB C 61 39.800 39.800 40.421 -0.621 25449 7971 1 16 . 1 1 61 61 ASP H H 61 6.920 6.920 8.550 -1.630 25449 7972 1 16 . 1 1 62 62 ALA N N 62 122.700 122.700 122.610 0.090 25449 7973 1 16 . 1 1 62 62 ALA HA H 62 3.380 3.380 3.129 0.251 25449 7974 1 16 . 1 1 62 62 ALA C C 62 171.600 171.600 179.191 -7.591 25449 7975 1 16 . 1 1 62 62 ALA CA C 62 55.100 55.100 55.056 0.044 25449 7976 1 16 . 1 1 62 62 ALA CB C 62 18.200 18.200 18.373 -0.173 25449 7977 1 16 . 1 1 62 62 ALA H H 62 6.910 6.910 7.719 -0.809 25449 7978 1 16 . 1 1 63 63 LYS N N 63 116.200 116.200 118.185 -1.985 25449 7979 1 16 . 1 1 63 63 LYS HA H 63 4.190 4.190 3.871 0.319 25449 7980 1 16 . 1 1 63 63 LYS C C 63 179.200 179.200 178.991 0.209 25449 7981 1 16 . 1 1 63 63 LYS CA C 63 59.300 59.300 59.361 -0.061 25449 7982 1 16 . 1 1 63 63 LYS CB C 63 32.600 32.600 31.988 0.612 25449 7983 1 16 . 1 1 63 63 LYS H H 63 8.020 8.020 7.466 0.554 25449 7984 1 16 . 1 1 64 64 HIS N N 64 117.400 117.400 117.293 0.107 25449 7985 1 16 . 1 1 64 64 HIS HA H 64 4.310 4.310 4.298 0.012 25449 7986 1 16 . 1 1 64 64 HIS CA C 64 58.000 58.000 58.424 -0.424 25449 7987 1 16 . 1 1 64 64 HIS CB C 64 29.100 29.100 29.740 -0.640 25449 7988 1 16 . 1 1 64 64 HIS H H 64 7.460 7.460 7.426 0.034 25449 7989 1 16 . 1 1 65 65 ALA N N 65 123.700 123.700 122.001 1.699 25449 7990 1 16 . 1 1 65 65 ALA HA H 65 2.170 2.170 3.886 -1.716 25449 7991 1 16 . 1 1 65 65 ALA C C 65 178.700 178.700 178.716 -0.016 25449 7992 1 16 . 1 1 65 65 ALA CA C 65 54.800 54.800 54.859 -0.059 25449 7993 1 16 . 1 1 65 65 ALA CB C 65 19.400 19.400 18.710 0.690 25449 7994 1 16 . 1 1 65 65 ALA H H 65 8.190 8.190 7.631 0.559 25449 7995 1 16 . 1 1 66 66 LEU N N 66 119.800 119.800 117.809 1.991 25449 7996 1 16 . 1 1 66 66 LEU HA H 66 3.430 3.430 4.123 -0.693 25449 7997 1 16 . 1 1 66 66 LEU C C 66 178.700 178.700 178.950 -0.250 25449 7998 1 16 . 1 1 66 66 LEU CA C 66 59.700 59.700 57.526 2.174 25449 7999 1 16 . 1 1 66 66 LEU CB C 66 41.100 41.100 41.792 -0.692 25449 8000 1 16 . 1 1 66 66 LEU H H 66 8.340 8.340 7.422 0.918 25449 8001 1 16 . 1 1 67 67 TYR N N 67 116.200 116.200 120.592 -4.392 25449 8002 1 16 . 1 1 67 67 TYR HA H 67 4.010 4.010 4.180 -0.170 25449 8003 1 16 . 1 1 67 67 TYR C C 67 177.700 177.700 177.850 -0.150 25449 8004 1 16 . 1 1 67 67 TYR CA C 67 60.500 60.500 62.112 -1.612 25449 8005 1 16 . 1 1 67 67 TYR CB C 67 38.100 38.100 38.438 -0.338 25449 8006 1 16 . 1 1 67 67 TYR H H 67 7.760 7.760 7.773 -0.013 25449 8007 1 16 . 1 1 68 68 ASN N N 68 113.900 113.900 115.962 -2.062 25449 8008 1 16 . 1 1 68 68 ASN HA H 68 4.430 4.430 4.624 -0.194 25449 8009 1 16 . 1 1 68 68 ASN C C 68 176.400 176.400 176.016 0.384 25449 8010 1 16 . 1 1 68 68 ASN CA C 68 55.600 55.600 54.908 0.692 25449 8011 1 16 . 1 1 68 68 ASN CB C 68 41.400 41.400 38.590 2.810 25449 8012 1 16 . 1 1 68 68 ASN H H 68 7.480 7.480 7.884 -0.404 25449 8013 1 16 . 1 1 69 69 MET N N 69 114.900 114.900 115.686 -0.786 25449 8014 1 16 . 1 1 69 69 MET HA H 69 4.760 4.760 4.575 0.185 25449 8015 1 16 . 1 1 69 69 MET C C 69 177.000 177.000 176.132 0.868 25449 8016 1 16 . 1 1 69 69 MET CA C 69 53.500 53.500 53.596 -0.096 25449 8017 1 16 . 1 1 69 69 MET CB C 69 31.100 31.100 32.281 -1.181 25449 8018 1 16 . 1 1 69 69 MET H H 69 8.310 8.310 7.523 0.787 25449 8019 1 16 . 1 1 70 70 ASN N N 70 117.700 117.700 116.955 0.745 25449 8020 1 16 . 1 1 70 70 ASN HA H 70 4.370 4.370 4.670 -0.300 25449 8021 1 16 . 1 1 70 70 ASN C C 70 176.400 176.400 176.045 0.355 25449 8022 1 16 . 1 1 70 70 ASN CA C 70 56.100 56.100 54.605 1.495 25449 8023 1 16 . 1 1 70 70 ASN CB C 70 38.700 38.700 38.406 0.294 25449 8024 1 16 . 1 1 70 70 ASN H H 70 7.660 7.660 7.637 0.023 25449 8025 1 16 . 1 1 71 71 ASN N N 71 121.500 121.500 116.601 4.899 25449 8026 1 16 . 1 1 71 71 ASN HA H 71 4.510 4.510 4.699 -0.189 25449 8027 1 16 . 1 1 71 71 ASN C C 71 173.300 173.300 174.603 -1.303 25449 8028 1 16 . 1 1 71 71 ASN CA C 71 55.800 55.800 53.191 2.610 25449 8029 1 16 . 1 1 71 71 ASN CB C 71 38.200 38.200 38.588 -0.388 25449 8030 1 16 . 1 1 71 71 ASN H H 71 8.600 8.600 8.365 0.235 25449 8031 1 16 . 1 1 72 72 PHE N N 72 122.300 122.300 121.322 0.978 25449 8032 1 16 . 1 1 72 72 PHE HA H 72 4.190 4.190 4.541 -0.351 25449 8033 1 16 . 1 1 72 72 PHE C C 72 174.100 174.100 173.794 0.306 25449 8034 1 16 . 1 1 72 72 PHE CA C 72 58.700 58.700 57.068 1.632 25449 8035 1 16 . 1 1 72 72 PHE CB C 72 41.300 41.300 40.415 0.885 25449 8036 1 16 . 1 1 72 72 PHE H H 72 7.870 7.870 7.614 0.256 25449 8037 1 16 . 1 1 73 73 GLU N N 73 126.100 126.100 128.555 -2.455 25449 8038 1 16 . 1 1 73 73 GLU HA H 73 4.230 4.230 4.603 -0.373 25449 8039 1 16 . 1 1 73 73 GLU C C 73 173.000 173.000 174.525 -1.525 25449 8040 1 16 . 1 1 73 73 GLU CA C 73 55.600 55.600 54.469 1.131 25449 8041 1 16 . 1 1 73 73 GLU CB C 73 30.300 30.300 31.748 -1.448 25449 8042 1 16 . 1 1 73 73 GLU H H 73 7.690 7.690 8.258 -0.568 25449 8043 1 16 . 1 1 74 74 LEU N N 74 128.900 128.900 127.504 1.396 25449 8044 1 16 . 1 1 74 74 LEU HA H 74 4.520 4.520 4.239 0.281 25449 8045 1 16 . 1 1 74 74 LEU C C 74 175.500 175.500 176.042 -0.542 25449 8046 1 16 . 1 1 74 74 LEU CA C 74 53.300 53.300 54.463 -1.163 25449 8047 1 16 . 1 1 74 74 LEU CB C 74 44.600 44.600 42.668 1.932 25449 8048 1 16 . 1 1 74 74 LEU H H 74 8.620 8.620 7.973 0.647 25449 8049 1 16 . 1 1 75 75 ASN N N 75 126.800 126.800 121.500 5.300 25449 8050 1 16 . 1 1 75 75 ASN HA H 75 4.210 4.210 4.491 -0.281 25449 8051 1 16 . 1 1 75 75 ASN C C 75 175.600 175.600 175.696 -0.096 25449 8052 1 16 . 1 1 75 75 ASN CA C 75 53.900 53.900 53.812 0.088 25449 8053 1 16 . 1 1 75 75 ASN CB C 75 36.900 36.900 36.889 0.011 25449 8054 1 16 . 1 1 75 75 ASN H H 75 9.520 9.520 9.088 0.432 25449 8055 1 16 . 1 1 76 76 GLY N N 76 102.300 102.300 101.484 0.816 25449 8056 1 16 . 1 1 76 76 GLY C C 76 173.600 173.600 173.553 0.047 25449 8057 1 16 . 1 1 76 76 GLY CA C 76 45.300 45.300 45.458 -0.158 25449 8058 1 16 . 1 1 76 76 GLY H H 76 8.500 8.500 8.613 -0.113 25449 8059 1 16 . 1 1 77 77 LYS N N 77 120.800 120.800 118.078 2.722 25449 8060 1 16 . 1 1 77 77 LYS HA H 77 4.570 4.570 4.444 0.126 25449 8061 1 16 . 1 1 77 77 LYS C C 77 175.100 175.100 174.307 0.793 25449 8062 1 16 . 1 1 77 77 LYS CA C 77 54.200 54.200 54.711 -0.511 25449 8063 1 16 . 1 1 77 77 LYS CB C 77 34.500 34.500 35.270 -0.770 25449 8064 1 16 . 1 1 77 77 LYS H H 77 7.580 7.580 7.276 0.304 25449 8065 1 16 . 1 1 78 78 ARG N N 78 123.300 123.300 124.056 -0.756 25449 8066 1 16 . 1 1 78 78 ARG HA H 78 4.480 4.480 4.457 0.023 25449 8067 1 16 . 1 1 78 78 ARG C C 78 176.600 176.600 175.907 0.693 25449 8068 1 16 . 1 1 78 78 ARG CA C 78 55.300 55.300 55.160 0.140 25449 8069 1 16 . 1 1 78 78 ARG CB C 78 30.300 30.300 31.305 -1.005 25449 8070 1 16 . 1 1 78 78 ARG H H 78 8.580 8.580 8.349 0.231 25449 8071 1 16 . 1 1 79 79 ILE N N 79 120.100 120.100 122.627 -2.527 25449 8072 1 16 . 1 1 79 79 ILE HA H 79 4.700 4.700 4.401 0.299 25449 8073 1 16 . 1 1 79 79 ILE C C 79 175.200 175.200 175.015 0.185 25449 8074 1 16 . 1 1 79 79 ILE CA C 79 60.000 60.000 60.121 -0.121 25449 8075 1 16 . 1 1 79 79 ILE CB C 79 39.400 39.400 39.410 -0.010 25449 8076 1 16 . 1 1 79 79 ILE H H 79 8.450 8.450 8.339 0.111 25449 8077 1 16 . 1 1 80 80 HIS N N 80 119.900 119.900 124.778 -4.878 25449 8078 1 16 . 1 1 80 80 HIS HA H 80 5.190 5.190 4.675 0.515 25449 8079 1 16 . 1 1 80 80 HIS C C 80 173.600 173.600 174.693 -1.093 25449 8080 1 16 . 1 1 80 80 HIS CA C 80 53.800 53.800 55.742 -1.942 25449 8081 1 16 . 1 1 80 80 HIS CB C 80 31.300 31.300 30.504 0.796 25449 8082 1 16 . 1 1 80 80 HIS H H 80 8.580 8.580 8.467 0.113 25449 8083 1 16 . 1 1 81 81 VAL N N 81 123.800 123.800 126.573 -2.773 25449 8084 1 16 . 1 1 81 81 VAL HA H 81 5.280 5.280 4.581 0.699 25449 8085 1 16 . 1 1 81 81 VAL C C 81 173.600 173.600 174.456 -0.856 25449 8086 1 16 . 1 1 81 81 VAL CA C 81 60.200 60.200 61.351 -1.151 25449 8087 1 16 . 1 1 81 81 VAL CB C 81 35.000 35.000 33.247 1.753 25449 8088 1 16 . 1 1 81 81 VAL H H 81 8.650 8.650 8.671 -0.021 25449 8089 1 16 . 1 1 82 82 ASN N N 82 121.100 121.100 124.107 -3.007 25449 8090 1 16 . 1 1 82 82 ASN HA H 82 4.750 4.750 5.532 -0.782 25449 8091 1 16 . 1 1 82 82 ASN C C 82 174.000 174.000 173.608 0.392 25449 8092 1 16 . 1 1 82 82 ASN CA C 82 51.900 51.900 51.862 0.038 25449 8093 1 16 . 1 1 82 82 ASN CB C 82 42.900 42.900 41.235 1.665 25449 8094 1 16 . 1 1 82 82 ASN H H 82 8.890 8.890 8.202 0.688 25449 8095 1 16 . 1 1 83 83 TYR N N 83 120.400 120.400 119.992 0.408 25449 8096 1 16 . 1 1 83 83 TYR HA H 83 4.800 4.800 4.737 0.063 25449 8097 1 16 . 1 1 83 83 TYR C C 83 177.100 177.100 175.340 1.760 25449 8098 1 16 . 1 1 83 83 TYR CA C 83 59.400 59.400 58.910 0.490 25449 8099 1 16 . 1 1 83 83 TYR CB C 83 38.700 38.700 39.315 -0.615 25449 8100 1 16 . 1 1 83 83 TYR H H 83 8.480 8.480 8.217 0.263 25449 8101 1 16 . 1 1 84 84 SER N N 84 118.000 118.000 117.760 0.240 25449 8102 1 16 . 1 1 84 84 SER HA H 84 4.520 4.520 4.379 0.141 25449 8103 1 16 . 1 1 84 84 SER C C 84 174.100 174.100 172.894 1.206 25449 8104 1 16 . 1 1 84 84 SER CA C 84 57.700 57.700 56.596 1.104 25449 8105 1 16 . 1 1 84 84 SER CB C 84 64.300 64.300 65.019 -0.719 25449 8106 1 16 . 1 1 84 84 SER H H 84 9.040 9.040 7.982 1.058 25449 8107 1 16 . 1 1 85 85 LYS N N 85 125.300 125.300 121.069 4.231 25449 8108 1 16 . 1 1 85 85 LYS HA H 85 4.440 4.440 4.269 0.171 25449 8109 1 16 . 1 1 85 85 LYS C C 85 175.600 175.600 175.066 0.534 25449 8110 1 16 . 1 1 85 85 LYS CA C 85 56.300 56.300 55.955 0.345 25449 8111 1 16 . 1 1 85 85 LYS CB C 85 33.700 33.700 32.855 0.845 25449 8112 1 16 . 1 1 85 85 LYS H H 85 8.410 8.410 8.304 0.106 25449 8113 1 17 . 1 1 -1 -1 SER N N -1 115.600 115.600 116.673 -1.073 25449 8114 1 17 . 1 1 -1 -1 SER HA H -1 4.410 4.410 4.769 -0.359 25449 8115 1 17 . 1 1 -1 -1 SER C C -1 172.000 172.000 173.886 -1.886 25449 8116 1 17 . 1 1 -1 -1 SER CA C -1 58.200 58.200 57.532 0.668 25449 8117 1 17 . 1 1 -1 -1 SER CB C -1 63.900 63.900 65.710 -1.810 25449 8118 1 17 . 1 1 -1 -1 SER H H -1 8.670 8.670 8.400 0.270 25449 8119 1 17 . 1 1 0 0 HIS N N 0 121.200 121.200 120.167 1.033 25449 8120 1 17 . 1 1 0 0 HIS HA H 0 4.590 4.590 4.720 -0.130 25449 8121 1 17 . 1 1 0 0 HIS C C 0 174.800 174.800 174.530 0.270 25449 8122 1 17 . 1 1 0 0 HIS CA C 0 56.100 56.100 55.457 0.643 25449 8123 1 17 . 1 1 0 0 HIS CB C 0 29.900 29.900 31.648 -1.748 25449 8124 1 17 . 1 1 0 0 HIS H H 0 8.730 8.730 8.576 0.154 25449 8125 1 17 . 1 1 1 1 MET N N 1 121.800 121.800 120.949 0.851 25449 8126 1 17 . 1 1 1 1 MET HA H 1 4.370 4.370 4.415 -0.045 25449 8127 1 17 . 1 1 1 1 MET C C 1 176.300 176.300 176.252 0.048 25449 8128 1 17 . 1 1 1 1 MET CA C 1 55.700 55.700 55.547 0.153 25449 8129 1 17 . 1 1 1 1 MET CB C 1 32.800 32.800 31.759 1.041 25449 8130 1 17 . 1 1 1 1 MET H H 1 8.450 8.450 8.370 0.080 25449 8131 1 17 . 1 1 2 2 SER N N 2 116.700 116.700 119.558 -2.858 25449 8132 1 17 . 1 1 2 2 SER HA H 2 4.370 4.370 4.523 -0.153 25449 8133 1 17 . 1 1 2 2 SER C C 2 174.200 174.200 173.908 0.292 25449 8134 1 17 . 1 1 2 2 SER CA C 2 58.400 58.400 57.761 0.639 25449 8135 1 17 . 1 1 2 2 SER CB C 2 63.800 63.800 64.500 -0.700 25449 8136 1 17 . 1 1 2 2 SER H H 2 8.410 8.410 8.242 0.168 25449 8137 1 17 . 1 1 3 3 ASP N N 3 122.100 122.100 120.300 1.800 25449 8138 1 17 . 1 1 3 3 ASP HA H 3 4.550 4.550 4.492 0.058 25449 8139 1 17 . 1 1 3 3 ASP C C 3 176.100 176.100 174.189 1.911 25449 8140 1 17 . 1 1 3 3 ASP CA C 3 54.500 54.500 54.637 -0.137 25449 8141 1 17 . 1 1 3 3 ASP CB C 3 41.200 41.200 40.599 0.601 25449 8142 1 17 . 1 1 3 3 ASP H H 3 8.340 8.340 8.652 -0.312 25449 8143 1 17 . 1 1 4 4 ASN N N 4 119.100 119.100 119.805 -0.705 25449 8144 1 17 . 1 1 4 4 ASN HA H 4 4.580 4.580 4.737 -0.157 25449 8145 1 17 . 1 1 4 4 ASN C C 4 174.900 174.900 175.099 -0.199 25449 8146 1 17 . 1 1 4 4 ASN CA C 4 53.700 53.700 52.369 1.331 25449 8147 1 17 . 1 1 4 4 ASN CB C 4 38.900 38.900 40.205 -1.305 25449 8148 1 17 . 1 1 4 4 ASN H H 4 8.420 8.420 8.201 0.219 25449 8149 1 17 . 1 1 5 5 ASN N N 5 118.400 118.400 118.553 -0.153 25449 8150 1 17 . 1 1 5 5 ASN HA H 5 4.540 4.540 4.614 -0.074 25449 8151 1 17 . 1 1 5 5 ASN C C 5 173.900 173.900 174.424 -0.524 25449 8152 1 17 . 1 1 5 5 ASN CA C 5 53.200 53.200 52.808 0.392 25449 8153 1 17 . 1 1 5 5 ASN CB C 5 38.700 38.700 37.320 1.380 25449 8154 1 17 . 1 1 5 5 ASN H H 5 8.340 8.340 8.528 -0.188 25449 8155 1 17 . 1 1 6 6 ALA N N 6 122.100 122.100 123.614 -1.514 25449 8156 1 17 . 1 1 6 6 ALA HA H 6 2.740 2.740 4.014 -1.274 25449 8157 1 17 . 1 1 6 6 ALA C C 6 177.000 177.000 176.899 0.101 25449 8158 1 17 . 1 1 6 6 ALA CA C 6 52.300 52.300 52.555 -0.255 25449 8159 1 17 . 1 1 6 6 ALA CB C 6 20.000 20.000 18.622 1.378 25449 8160 1 17 . 1 1 6 6 ALA H H 6 7.590 7.590 7.115 0.475 25449 8161 1 17 . 1 1 7 7 THR N N 7 112.700 112.700 118.724 -6.024 25449 8162 1 17 . 1 1 7 7 THR HA H 7 4.390 4.390 4.409 -0.019 25449 8163 1 17 . 1 1 7 7 THR C C 7 171.700 171.700 175.101 -3.401 25449 8164 1 17 . 1 1 7 7 THR CA C 7 59.800 59.800 61.387 -1.587 25449 8165 1 17 . 1 1 7 7 THR CB C 7 70.600 70.600 70.405 0.195 25449 8166 1 17 . 1 1 7 7 THR H H 7 6.840 6.840 7.666 -0.826 25449 8167 1 17 . 1 1 8 8 ASP N N 8 114.600 114.600 124.272 -9.672 25449 8168 1 17 . 1 1 8 8 ASP HA H 8 4.490 4.490 4.302 0.188 25449 8169 1 17 . 1 1 8 8 ASP C C 8 174.300 174.300 174.331 -0.031 25449 8170 1 17 . 1 1 8 8 ASP CA C 8 53.500 53.500 55.872 -2.372 25449 8171 1 17 . 1 1 8 8 ASP CB C 8 39.800 39.800 40.464 -0.664 25449 8172 1 17 . 1 1 8 8 ASP H H 8 8.170 8.170 8.902 -0.732 25449 8173 1 17 . 1 1 9 9 ILE N N 9 117.800 117.800 118.313 -0.513 25449 8174 1 17 . 1 1 9 9 ILE HA H 9 4.810 4.810 4.397 0.413 25449 8175 1 17 . 1 1 9 9 ILE C C 9 174.700 174.700 174.004 0.696 25449 8176 1 17 . 1 1 9 9 ILE CA C 9 60.600 60.600 60.225 0.375 25449 8177 1 17 . 1 1 9 9 ILE CB C 9 40.300 40.300 40.447 -0.147 25449 8178 1 17 . 1 1 9 9 ILE H H 9 7.890 7.890 7.500 0.391 25449 8179 1 17 . 1 1 10 10 LEU N N 10 125.300 125.300 127.515 -2.215 25449 8180 1 17 . 1 1 10 10 LEU HA H 10 4.960 4.960 4.880 0.080 25449 8181 1 17 . 1 1 10 10 LEU C C 10 176.100 176.100 175.393 0.707 25449 8182 1 17 . 1 1 10 10 LEU CA C 10 52.900 52.900 54.116 -1.216 25449 8183 1 17 . 1 1 10 10 LEU CB C 10 43.100 43.100 44.684 -1.584 25449 8184 1 17 . 1 1 10 10 LEU H H 10 9.370 9.370 8.339 1.031 25449 8185 1 17 . 1 1 11 11 PHE N N 11 124.300 124.300 127.118 -2.818 25449 8186 1 17 . 1 1 11 11 PHE HA H 11 4.670 4.670 4.784 -0.114 25449 8187 1 17 . 1 1 11 11 PHE C C 11 173.400 173.400 173.917 -0.517 25449 8188 1 17 . 1 1 11 11 PHE CA C 11 57.000 57.000 56.943 0.057 25449 8189 1 17 . 1 1 11 11 PHE CB C 11 40.700 40.700 39.906 0.794 25449 8190 1 17 . 1 1 11 11 PHE H H 11 9.310 9.310 8.730 0.580 25449 8191 1 17 . 1 1 12 12 VAL N N 12 128.300 128.300 127.651 0.649 25449 8192 1 17 . 1 1 12 12 VAL HA H 12 4.420 4.420 4.428 -0.008 25449 8193 1 17 . 1 1 12 12 VAL C C 12 173.900 173.900 175.315 -1.415 25449 8194 1 17 . 1 1 12 12 VAL CA C 12 60.200 60.200 60.863 -0.663 25449 8195 1 17 . 1 1 12 12 VAL CB C 12 33.100 33.100 31.507 1.593 25449 8196 1 17 . 1 1 12 12 VAL H H 12 8.380 8.380 7.738 0.642 25449 8197 1 17 . 1 1 13 13 GLY N N 13 111.800 111.800 112.455 -0.655 25449 8198 1 17 . 1 1 13 13 GLY C C 13 173.800 173.800 173.675 0.125 25449 8199 1 17 . 1 1 13 13 GLY CA C 13 43.400 43.400 42.849 0.551 25449 8200 1 17 . 1 1 13 13 GLY H H 13 9.150 9.150 7.226 1.924 25449 8201 1 17 . 1 1 14 14 GLY N N 14 107.600 107.600 107.956 -0.356 25449 8202 1 17 . 1 1 14 14 GLY C C 14 175.400 175.400 174.053 1.347 25449 8203 1 17 . 1 1 14 14 GLY CA C 14 45.800 45.800 44.808 0.992 25449 8204 1 17 . 1 1 14 14 GLY H H 14 8.260 8.260 8.424 -0.164 25449 8205 1 17 . 1 1 15 15 ILE N N 15 111.100 111.100 117.004 -5.904 25449 8206 1 17 . 1 1 15 15 ILE HA H 15 4.040 4.040 4.474 -0.434 25449 8207 1 17 . 1 1 15 15 ILE C C 15 175.500 175.500 174.617 0.883 25449 8208 1 17 . 1 1 15 15 ILE CA C 15 60.500 60.500 58.932 1.568 25449 8209 1 17 . 1 1 15 15 ILE CB C 15 38.500 38.500 39.288 -0.787 25449 8210 1 17 . 1 1 15 15 ILE H H 15 6.930 6.930 7.139 -0.209 25449 8211 1 17 . 1 1 16 16 ASP N N 16 122.800 122.800 124.024 -1.224 25449 8212 1 17 . 1 1 16 16 ASP HA H 16 4.580 4.580 4.457 0.123 25449 8213 1 17 . 1 1 16 16 ASP C C 16 177.200 177.200 176.930 0.270 25449 8214 1 17 . 1 1 16 16 ASP CA C 16 53.700 53.700 53.964 -0.264 25449 8215 1 17 . 1 1 16 16 ASP CB C 16 42.500 42.500 42.080 0.420 25449 8216 1 17 . 1 1 16 16 ASP H H 16 8.320 8.320 8.528 -0.208 25449 8217 1 17 . 1 1 17 17 GLU N N 17 119.600 119.600 114.427 5.173 25449 8218 1 17 . 1 1 17 17 GLU HA H 17 4.140 4.140 4.153 -0.013 25449 8219 1 17 . 1 1 17 17 GLU C C 17 176.800 176.800 176.037 0.763 25449 8220 1 17 . 1 1 17 17 GLU CA C 17 58.600 58.600 57.353 1.247 25449 8221 1 17 . 1 1 17 17 GLU CB C 17 29.800 29.800 29.023 0.777 25449 8222 1 17 . 1 1 17 17 GLU H H 17 8.830 8.830 8.609 0.221 25449 8223 1 17 . 1 1 18 18 THR N N 18 111.300 111.300 113.721 -2.421 25449 8224 1 17 . 1 1 18 18 THR HA H 18 4.250 4.250 4.542 -0.292 25449 8225 1 17 . 1 1 18 18 THR C C 18 175.200 175.200 174.309 0.891 25449 8226 1 17 . 1 1 18 18 THR CA C 18 62.600 62.600 61.365 1.235 25449 8227 1 17 . 1 1 18 18 THR CB C 18 69.600 69.600 68.921 0.679 25449 8228 1 17 . 1 1 18 18 THR H H 18 8.740 8.740 7.684 1.056 25449 8229 1 17 . 1 1 19 19 ILE N N 19 123.300 123.300 119.156 4.144 25449 8230 1 17 . 1 1 19 19 ILE HA H 19 3.880 3.880 4.542 -0.662 25449 8231 1 17 . 1 1 19 19 ILE C C 19 174.300 174.300 174.563 -0.263 25449 8232 1 17 . 1 1 19 19 ILE CA C 19 59.900 59.900 58.598 1.302 25449 8233 1 17 . 1 1 19 19 ILE CB C 19 35.600 35.600 39.425 -3.825 25449 8234 1 17 . 1 1 19 19 ILE H H 19 7.220 7.220 7.300 -0.080 25449 8235 1 17 . 1 1 20 20 ASP N N 20 125.600 125.600 122.671 2.929 25449 8236 1 17 . 1 1 20 20 ASP HA H 20 4.640 4.640 4.800 -0.160 25449 8237 1 17 . 1 1 20 20 ASP C C 20 175.300 175.300 176.478 -1.178 25449 8238 1 17 . 1 1 20 20 ASP CA C 20 51.500 51.500 52.895 -1.395 25449 8239 1 17 . 1 1 20 20 ASP CB C 20 43.000 43.000 43.881 -0.881 25449 8240 1 17 . 1 1 20 20 ASP H H 20 7.790 7.790 7.895 -0.105 25449 8241 1 17 . 1 1 21 21 GLU N N 21 118.400 118.400 120.913 -2.513 25449 8242 1 17 . 1 1 21 21 GLU HA H 21 3.630 3.630 3.930 -0.300 25449 8243 1 17 . 1 1 21 21 GLU C C 21 177.900 177.900 178.368 -0.468 25449 8244 1 17 . 1 1 21 21 GLU CA C 21 60.900 60.900 60.007 0.893 25449 8245 1 17 . 1 1 21 21 GLU CB C 21 29.200 29.200 29.731 -0.531 25449 8246 1 17 . 1 1 21 21 GLU H H 21 9.220 9.220 8.856 0.364 25449 8247 1 17 . 1 1 22 22 LYS N N 22 119.700 119.700 117.303 2.397 25449 8248 1 17 . 1 1 22 22 LYS HA H 22 4.060 4.060 4.165 -0.105 25449 8249 1 17 . 1 1 22 22 LYS C C 22 178.500 178.500 178.750 -0.250 25449 8250 1 17 . 1 1 22 22 LYS CA C 22 59.300 59.300 59.143 0.157 25449 8251 1 17 . 1 1 22 22 LYS CB C 22 31.800 31.800 31.429 0.371 25449 8252 1 17 . 1 1 22 22 LYS H H 22 8.040 8.040 8.481 -0.441 25449 8253 1 17 . 1 1 23 23 SER N N 23 114.900 114.900 116.052 -1.152 25449 8254 1 17 . 1 1 23 23 SER HA H 23 4.300 4.300 4.304 -0.004 25449 8255 1 17 . 1 1 23 23 SER C C 23 177.600 177.600 176.786 0.814 25449 8256 1 17 . 1 1 23 23 SER CA C 23 61.800 61.800 61.006 0.794 25449 8257 1 17 . 1 1 23 23 SER CB C 23 62.900 62.900 62.774 0.126 25449 8258 1 17 . 1 1 23 23 SER H H 23 8.240 8.240 8.123 0.117 25449 8259 1 17 . 1 1 24 24 LEU N N 24 118.800 118.800 120.831 -2.031 25449 8260 1 17 . 1 1 24 24 LEU HA H 24 4.180 4.180 4.262 -0.082 25449 8261 1 17 . 1 1 24 24 LEU C C 24 178.700 178.700 178.905 -0.205 25449 8262 1 17 . 1 1 24 24 LEU CA C 24 57.300 57.300 56.682 0.618 25449 8263 1 17 . 1 1 24 24 LEU CB C 24 42.100 42.100 41.744 0.356 25449 8264 1 17 . 1 1 24 24 LEU H H 24 7.750 7.750 7.569 0.181 25449 8265 1 17 . 1 1 25 25 TYR N N 25 123.200 123.200 120.379 2.821 25449 8266 1 17 . 1 1 25 25 TYR HA H 25 3.630 3.630 4.102 -0.472 25449 8267 1 17 . 1 1 25 25 TYR C C 25 178.600 178.600 177.243 1.357 25449 8268 1 17 . 1 1 25 25 TYR CA C 25 63.200 63.200 60.515 2.685 25449 8269 1 17 . 1 1 25 25 TYR CB C 25 38.200 38.200 38.667 -0.467 25449 8270 1 17 . 1 1 25 25 TYR H H 25 8.970 8.970 7.353 1.617 25449 8271 1 17 . 1 1 26 26 ASP N N 26 119.800 119.800 118.316 1.484 25449 8272 1 17 . 1 1 26 26 ASP HA H 26 4.270 4.270 4.539 -0.269 25449 8273 1 17 . 1 1 26 26 ASP C C 26 177.900 177.900 178.136 -0.236 25449 8274 1 17 . 1 1 26 26 ASP CA C 26 57.700 57.700 57.398 0.302 25449 8275 1 17 . 1 1 26 26 ASP CB C 26 40.000 40.000 41.160 -1.160 25449 8276 1 17 . 1 1 26 26 ASP H H 26 8.510 8.510 7.747 0.763 25449 8277 1 17 . 1 1 27 27 ILE N N 27 114.700 114.700 119.012 -4.312 25449 8278 1 17 . 1 1 27 27 ILE HA H 27 3.960 3.960 3.934 0.026 25449 8279 1 17 . 1 1 27 27 ILE C C 27 177.700 177.700 177.879 -0.179 25449 8280 1 17 . 1 1 27 27 ILE CA C 27 63.300 63.300 64.934 -1.635 25449 8281 1 17 . 1 1 27 27 ILE CB C 27 39.000 39.000 38.454 0.546 25449 8282 1 17 . 1 1 27 27 ILE H H 27 7.320 7.320 7.600 -0.280 25449 8283 1 17 . 1 1 28 28 PHE N N 28 116.900 116.900 117.037 -0.137 25449 8284 1 17 . 1 1 28 28 PHE HA H 28 4.370 4.370 4.535 -0.165 25449 8285 1 17 . 1 1 28 28 PHE C C 28 179.900 179.900 177.036 2.864 25449 8286 1 17 . 1 1 28 28 PHE CA C 28 62.300 62.300 59.420 2.880 25449 8287 1 17 . 1 1 28 28 PHE CB C 28 37.300 37.300 38.505 -1.205 25449 8288 1 17 . 1 1 28 28 PHE H H 28 8.650 8.650 8.233 0.417 25449 8289 1 17 . 1 1 29 29 SER N N 29 120.100 120.100 112.478 7.622 25449 8290 1 17 . 1 1 29 29 SER HA H 29 4.410 4.410 4.761 -0.351 25449 8291 1 17 . 1 1 29 29 SER C C 29 175.600 175.600 175.521 0.079 25449 8292 1 17 . 1 1 29 29 SER CA C 29 61.300 61.300 59.296 2.004 25449 8293 1 17 . 1 1 29 29 SER CB C 29 62.200 62.200 63.243 -1.043 25449 8294 1 17 . 1 1 29 29 SER H H 29 8.880 8.880 7.770 1.110 25449 8295 1 17 . 1 1 30 30 SER N N 30 116.200 116.200 117.995 -1.795 25449 8296 1 17 . 1 1 30 30 SER HA H 30 3.940 3.940 4.265 -0.325 25449 8297 1 17 . 1 1 30 30 SER C C 30 174.900 174.900 175.716 -0.816 25449 8298 1 17 . 1 1 30 30 SER CA C 30 60.400 60.400 60.877 -0.477 25449 8299 1 17 . 1 1 30 30 SER CB C 30 62.400 62.400 63.173 -0.773 25449 8300 1 17 . 1 1 30 30 SER H H 30 7.270 7.270 7.770 -0.500 25449 8301 1 17 . 1 1 31 31 PHE N N 31 115.600 115.600 121.602 -6.002 25449 8302 1 17 . 1 1 31 31 PHE HA H 31 4.280 4.280 4.560 -0.280 25449 8303 1 17 . 1 1 31 31 PHE C C 31 174.100 174.100 176.075 -1.975 25449 8304 1 17 . 1 1 31 31 PHE CA C 31 58.900 58.900 59.170 -0.270 25449 8305 1 17 . 1 1 31 31 PHE CB C 31 39.300 39.300 40.027 -0.727 25449 8306 1 17 . 1 1 31 31 PHE H H 31 6.980 6.980 8.072 -1.093 25449 8307 1 17 . 1 1 32 32 GLY N N 32 104.900 104.900 107.438 -2.538 25449 8308 1 17 . 1 1 32 32 GLY C C 32 171.600 171.600 172.780 -1.180 25449 8309 1 17 . 1 1 32 32 GLY CA C 32 44.300 44.300 44.494 -0.194 25449 8310 1 17 . 1 1 32 32 GLY H H 32 7.300 7.300 7.617 -0.317 25449 8311 1 17 . 1 1 33 33 ASP N N 33 116.100 116.100 127.063 -10.963 25449 8312 1 17 . 1 1 33 33 ASP HA H 33 4.510 4.510 4.570 -0.060 25449 8313 1 17 . 1 1 33 33 ASP C C 33 176.800 176.800 174.672 2.128 25449 8314 1 17 . 1 1 33 33 ASP CA C 33 55.400 55.400 55.445 -0.045 25449 8315 1 17 . 1 1 33 33 ASP CB C 33 40.600 40.600 42.188 -1.588 25449 8316 1 17 . 1 1 33 33 ASP H H 33 8.120 8.120 8.463 -0.343 25449 8317 1 17 . 1 1 34 34 ILE N N 34 126.400 126.400 118.445 7.955 25449 8318 1 17 . 1 1 34 34 ILE HA H 34 3.850 3.850 4.182 -0.332 25449 8319 1 17 . 1 1 34 34 ILE C C 34 176.200 176.200 176.033 0.167 25449 8320 1 17 . 1 1 34 34 ILE CA C 34 60.200 60.200 58.178 2.022 25449 8321 1 17 . 1 1 34 34 ILE CB C 34 39.900 39.900 39.516 0.384 25449 8322 1 17 . 1 1 34 34 ILE H H 34 8.670 8.670 8.242 0.428 25449 8323 1 17 . 1 1 35 35 ARG N N 35 128.900 128.900 124.237 4.663 25449 8324 1 17 . 1 1 35 35 ARG HA H 35 4.160 4.160 4.199 -0.039 25449 8325 1 17 . 1 1 35 35 ARG C C 35 175.600 175.600 176.294 -0.694 25449 8326 1 17 . 1 1 35 35 ARG CA C 35 57.500 57.500 58.319 -0.819 25449 8327 1 17 . 1 1 35 35 ARG CB C 35 31.700 31.700 31.206 0.494 25449 8328 1 17 . 1 1 35 35 ARG H H 35 9.320 9.320 8.424 0.896 25449 8329 1 17 . 1 1 36 36 ASN N N 36 114.300 114.300 114.556 -0.256 25449 8330 1 17 . 1 1 36 36 ASN HA H 36 4.710 4.710 4.749 -0.039 25449 8331 1 17 . 1 1 36 36 ASN C C 36 172.000 172.000 172.849 -0.849 25449 8332 1 17 . 1 1 36 36 ASN CA C 36 53.500 53.500 53.287 0.213 25449 8333 1 17 . 1 1 36 36 ASN CB C 36 42.600 42.600 40.451 2.149 25449 8334 1 17 . 1 1 36 36 ASN H H 36 7.620 7.620 8.139 -0.519 25449 8335 1 17 . 1 1 37 37 ILE N N 37 122.700 122.700 122.746 -0.046 25449 8336 1 17 . 1 1 37 37 ILE HA H 37 4.770 4.770 4.430 0.340 25449 8337 1 17 . 1 1 37 37 ILE C C 37 173.300 173.300 174.539 -1.239 25449 8338 1 17 . 1 1 37 37 ILE CA C 37 60.600 60.600 61.169 -0.570 25449 8339 1 17 . 1 1 37 37 ILE CB C 37 41.200 41.200 40.729 0.471 25449 8340 1 17 . 1 1 37 37 ILE H H 37 8.030 8.030 8.466 -0.436 25449 8341 1 17 . 1 1 38 38 GLU N N 38 126.700 126.700 128.907 -2.207 25449 8342 1 17 . 1 1 38 38 GLU HA H 38 4.660 4.660 4.622 0.038 25449 8343 1 17 . 1 1 38 38 GLU C C 38 174.800 174.800 174.127 0.673 25449 8344 1 17 . 1 1 38 38 GLU CA C 38 54.400 54.400 55.323 -0.923 25449 8345 1 17 . 1 1 38 38 GLU CB C 38 33.400 33.400 31.043 2.357 25449 8346 1 17 . 1 1 38 38 GLU H H 38 8.870 8.870 8.605 0.265 25449 8347 1 17 . 1 1 39 39 VAL N N 39 126.400 126.400 127.148 -0.748 25449 8348 1 17 . 1 1 39 39 VAL CA C 39 58.700 58.700 58.971 -0.271 25449 8349 1 17 . 1 1 39 39 VAL CB C 39 32.600 32.600 33.177 -0.577 25449 8350 1 17 . 1 1 39 39 VAL H H 39 8.970 8.970 8.378 0.592 25449 8351 1 17 . 1 1 40 40 PRO HA H 40 4.230 4.230 4.354 -0.124 25449 8352 1 17 . 1 1 40 40 PRO C C 40 176.300 176.300 175.266 1.034 25449 8353 1 17 . 1 1 40 40 PRO CA C 40 63.300 63.300 62.653 0.647 25449 8354 1 17 . 1 1 40 40 PRO CB C 40 32.500 32.500 32.227 0.272 25449 8355 1 17 . 1 1 41 41 LEU N N 41 120.700 120.700 122.769 -2.069 25449 8356 1 17 . 1 1 41 41 LEU HA H 41 4.520 4.520 4.444 0.076 25449 8357 1 17 . 1 1 41 41 LEU C C 41 177.900 177.900 175.523 2.377 25449 8358 1 17 . 1 1 41 41 LEU CA C 41 53.100 53.100 53.499 -0.399 25449 8359 1 17 . 1 1 41 41 LEU CB C 41 44.300 44.300 45.391 -1.091 25449 8360 1 17 . 1 1 41 41 LEU H H 41 8.520 8.520 8.103 0.417 25449 8361 1 17 . 1 1 42 42 ASN N N 42 121.400 121.400 122.243 -0.843 25449 8362 1 17 . 1 1 42 42 ASN HA H 42 4.560 4.560 4.922 -0.362 25449 8363 1 17 . 1 1 42 42 ASN C C 42 176.700 176.700 176.373 0.327 25449 8364 1 17 . 1 1 42 42 ASN CA C 42 52.900 52.900 52.393 0.507 25449 8365 1 17 . 1 1 42 42 ASN CB C 42 39.000 39.000 40.066 -1.066 25449 8366 1 17 . 1 1 42 42 ASN H H 42 8.740 8.740 8.257 0.483 25449 8367 1 17 . 1 1 43 43 MET N N 43 125.500 125.500 123.810 1.690 25449 8368 1 17 . 1 1 43 43 MET HA H 43 4.210 4.210 4.367 -0.157 25449 8369 1 17 . 1 1 43 43 MET C C 43 177.200 177.200 176.186 1.014 25449 8370 1 17 . 1 1 43 43 MET CA C 43 57.100 57.100 57.401 -0.301 25449 8371 1 17 . 1 1 43 43 MET CB C 43 31.600 31.600 32.374 -0.774 25449 8372 1 17 . 1 1 43 43 MET H H 43 9.080 9.080 8.872 0.208 25449 8373 1 17 . 1 1 44 44 THR N N 44 114.400 114.400 113.045 1.355 25449 8374 1 17 . 1 1 44 44 THR HA H 44 4.160 4.160 4.301 -0.141 25449 8375 1 17 . 1 1 44 44 THR C C 44 175.900 175.900 175.494 0.406 25449 8376 1 17 . 1 1 44 44 THR CA C 44 65.200 65.200 64.673 0.527 25449 8377 1 17 . 1 1 44 44 THR CB C 44 68.700 68.700 69.074 -0.374 25449 8378 1 17 . 1 1 44 44 THR H H 44 8.590 8.590 7.907 0.683 25449 8379 1 17 . 1 1 45 45 THR N N 45 110.300 110.300 115.039 -4.739 25449 8380 1 17 . 1 1 45 45 THR HA H 45 4.160 4.160 4.423 -0.263 25449 8381 1 17 . 1 1 45 45 THR C C 45 175.500 175.500 172.844 2.656 25449 8382 1 17 . 1 1 45 45 THR CA C 45 62.000 62.000 61.340 0.659 25449 8383 1 17 . 1 1 45 45 THR CB C 45 70.000 70.000 70.013 -0.013 25449 8384 1 17 . 1 1 45 45 THR H H 45 7.610 7.610 7.756 -0.146 25449 8385 1 17 . 1 1 46 46 LYS N N 46 115.700 115.700 121.278 -5.578 25449 8386 1 17 . 1 1 46 46 LYS HA H 46 3.720 3.720 3.920 -0.200 25449 8387 1 17 . 1 1 46 46 LYS C C 46 174.600 174.600 173.835 0.765 25449 8388 1 17 . 1 1 46 46 LYS CA C 46 57.600 57.600 57.346 0.254 25449 8389 1 17 . 1 1 46 46 LYS CB C 46 28.900 28.900 31.757 -2.857 25449 8390 1 17 . 1 1 46 46 LYS H H 46 8.460 8.460 8.033 0.427 25449 8391 1 17 . 1 1 47 47 LYS N N 47 117.100 117.100 120.154 -3.054 25449 8392 1 17 . 1 1 47 47 LYS HA H 47 4.680 4.680 4.521 0.159 25449 8393 1 17 . 1 1 47 47 LYS C C 47 176.300 176.300 175.964 0.336 25449 8394 1 17 . 1 1 47 47 LYS CA C 47 54.000 54.000 54.684 -0.684 25449 8395 1 17 . 1 1 47 47 LYS CB C 47 35.100 35.100 34.018 1.082 25449 8396 1 17 . 1 1 47 47 LYS H H 47 7.610 7.610 7.877 -0.267 25449 8397 1 17 . 1 1 48 48 ASN N N 48 117.700 117.700 120.379 -2.679 25449 8398 1 17 . 1 1 48 48 ASN HA H 48 4.700 4.700 4.855 -0.155 25449 8399 1 17 . 1 1 48 48 ASN C C 48 174.000 174.000 175.429 -1.429 25449 8400 1 17 . 1 1 48 48 ASN CA C 48 53.600 53.600 52.564 1.036 25449 8401 1 17 . 1 1 48 48 ASN CB C 48 37.700 37.700 39.349 -1.649 25449 8402 1 17 . 1 1 48 48 ASN H H 48 8.740 8.740 8.810 -0.070 25449 8403 1 17 . 1 1 49 49 ARG N N 49 116.800 116.800 117.456 -0.656 25449 8404 1 17 . 1 1 49 49 ARG HA H 49 4.350 4.350 4.060 0.290 25449 8405 1 17 . 1 1 49 49 ARG C C 49 177.500 177.500 176.446 1.054 25449 8406 1 17 . 1 1 49 49 ARG CA C 49 55.600 55.600 56.543 -0.943 25449 8407 1 17 . 1 1 49 49 ARG CB C 49 31.600 31.600 27.139 4.462 25449 8408 1 17 . 1 1 49 49 ARG H H 49 8.530 8.530 8.373 0.157 25449 8409 1 17 . 1 1 50 50 GLY N N 50 108.300 108.300 105.686 2.614 25449 8410 1 17 . 1 1 50 50 GLY C C 50 173.500 173.500 173.523 -0.023 25449 8411 1 17 . 1 1 50 50 GLY CA C 50 45.800 45.800 45.301 0.499 25449 8412 1 17 . 1 1 50 50 GLY H H 50 8.900 8.900 8.830 0.070 25449 8413 1 17 . 1 1 51 51 PHE N N 51 113.900 113.900 116.593 -2.693 25449 8414 1 17 . 1 1 51 51 PHE HA H 51 5.470 5.470 4.730 0.740 25449 8415 1 17 . 1 1 51 51 PHE C C 51 172.000 172.000 172.108 -0.108 25449 8416 1 17 . 1 1 51 51 PHE CA C 51 55.000 55.000 55.868 -0.868 25449 8417 1 17 . 1 1 51 51 PHE CB C 51 42.700 42.700 40.520 2.180 25449 8418 1 17 . 1 1 51 51 PHE H H 51 6.910 6.910 7.312 -0.402 25449 8419 1 17 . 1 1 52 52 ALA N N 52 120.500 120.500 125.129 -4.629 25449 8420 1 17 . 1 1 52 52 ALA HA H 52 4.630 4.630 4.025 0.605 25449 8421 1 17 . 1 1 52 52 ALA C C 52 173.900 173.900 174.529 -0.629 25449 8422 1 17 . 1 1 52 52 ALA CA C 52 50.200 50.200 50.937 -0.737 25449 8423 1 17 . 1 1 52 52 ALA CB C 52 25.100 25.100 21.791 3.309 25449 8424 1 17 . 1 1 52 52 ALA H H 52 8.810 8.810 7.622 1.188 25449 8425 1 17 . 1 1 53 53 PHE N N 53 115.000 115.000 119.648 -4.648 25449 8426 1 17 . 1 1 53 53 PHE HA H 53 5.660 5.660 4.806 0.854 25449 8427 1 17 . 1 1 53 53 PHE C C 53 175.600 175.600 174.709 0.891 25449 8428 1 17 . 1 1 53 53 PHE CA C 53 56.200 56.200 56.029 0.171 25449 8429 1 17 . 1 1 53 53 PHE CB C 53 42.400 42.400 41.604 0.796 25449 8430 1 17 . 1 1 53 53 PHE H H 53 8.730 8.730 7.743 0.987 25449 8431 1 17 . 1 1 54 54 VAL N N 54 122.300 122.300 121.228 1.072 25449 8432 1 17 . 1 1 54 54 VAL HA H 54 4.100 4.100 4.313 -0.213 25449 8433 1 17 . 1 1 54 54 VAL C C 54 173.000 173.000 174.116 -1.116 25449 8434 1 17 . 1 1 54 54 VAL CA C 54 61.700 61.700 61.693 0.007 25449 8435 1 17 . 1 1 54 54 VAL CB C 54 34.400 34.400 33.927 0.473 25449 8436 1 17 . 1 1 54 54 VAL H H 54 9.060 9.060 8.454 0.606 25449 8437 1 17 . 1 1 55 55 GLU N N 55 127.300 127.300 127.620 -0.320 25449 8438 1 17 . 1 1 55 55 GLU HA H 55 5.160 5.160 4.928 0.232 25449 8439 1 17 . 1 1 55 55 GLU C C 55 175.900 175.900 175.839 0.061 25449 8440 1 17 . 1 1 55 55 GLU CA C 55 54.000 54.000 55.082 -1.082 25449 8441 1 17 . 1 1 55 55 GLU CB C 55 31.700 31.700 31.886 -0.185 25449 8442 1 17 . 1 1 55 55 GLU H H 55 8.860 8.860 8.332 0.528 25449 8443 1 17 . 1 1 56 56 TYR N N 56 127.500 127.500 124.325 3.175 25449 8444 1 17 . 1 1 56 56 TYR HA H 56 4.520 4.520 4.374 0.146 25449 8445 1 17 . 1 1 56 56 TYR C C 56 175.000 175.000 176.098 -1.098 25449 8446 1 17 . 1 1 56 56 TYR CA C 56 59.700 59.700 58.994 0.706 25449 8447 1 17 . 1 1 56 56 TYR CB C 56 40.200 40.200 39.268 0.932 25449 8448 1 17 . 1 1 56 56 TYR H H 56 9.470 9.470 8.957 0.513 25449 8449 1 17 . 1 1 57 57 VAL N N 57 119.200 119.200 119.595 -0.395 25449 8450 1 17 . 1 1 57 57 VAL HA H 57 3.570 3.570 3.894 -0.324 25449 8451 1 17 . 1 1 57 57 VAL C C 57 177.000 177.000 176.402 0.598 25449 8452 1 17 . 1 1 57 57 VAL CA C 57 66.300 66.300 65.482 0.818 25449 8453 1 17 . 1 1 57 57 VAL CB C 57 32.000 32.000 32.219 -0.219 25449 8454 1 17 . 1 1 57 57 VAL H H 57 7.800 7.800 7.833 -0.033 25449 8455 1 17 . 1 1 58 58 GLU N N 58 118.500 118.500 116.326 2.174 25449 8456 1 17 . 1 1 58 58 GLU HA H 58 4.780 4.780 4.652 0.128 25449 8457 1 17 . 1 1 58 58 GLU C C 58 177.500 177.500 177.518 -0.018 25449 8458 1 17 . 1 1 58 58 GLU CA C 58 53.800 53.800 55.415 -1.615 25449 8459 1 17 . 1 1 58 58 GLU CB C 58 30.500 30.500 31.498 -0.998 25449 8460 1 17 . 1 1 58 58 GLU H H 58 9.530 9.530 8.188 1.342 25449 8461 1 17 . 1 1 59 59 VAL N N 59 125.200 125.200 120.818 4.382 25449 8462 1 17 . 1 1 59 59 VAL HA H 59 3.530 3.530 3.993 -0.463 25449 8463 1 17 . 1 1 59 59 VAL C C 59 177.600 177.600 177.004 0.596 25449 8464 1 17 . 1 1 59 59 VAL CA C 59 66.100 66.100 65.134 0.966 25449 8465 1 17 . 1 1 59 59 VAL CB C 59 31.700 31.700 32.473 -0.773 25449 8466 1 17 . 1 1 59 59 VAL H H 59 8.650 8.650 8.538 0.112 25449 8467 1 17 . 1 1 60 60 ASP N N 60 118.500 118.500 121.446 -2.946 25449 8468 1 17 . 1 1 60 60 ASP HA H 60 4.220 4.220 4.338 -0.118 25449 8469 1 17 . 1 1 60 60 ASP C C 60 178.300 178.300 177.714 0.586 25449 8470 1 17 . 1 1 60 60 ASP CA C 60 57.600 57.600 58.430 -0.830 25449 8471 1 17 . 1 1 60 60 ASP CB C 60 40.500 40.500 40.077 0.423 25449 8472 1 17 . 1 1 60 60 ASP H H 60 8.970 8.970 8.532 0.438 25449 8473 1 17 . 1 1 61 61 ASP N N 61 119.900 119.900 119.390 0.510 25449 8474 1 17 . 1 1 61 61 ASP HA H 61 4.360 4.360 4.450 -0.090 25449 8475 1 17 . 1 1 61 61 ASP C C 61 176.800 176.800 177.982 -1.182 25449 8476 1 17 . 1 1 61 61 ASP CA C 61 56.900 56.900 56.624 0.276 25449 8477 1 17 . 1 1 61 61 ASP CB C 61 39.800 39.800 40.504 -0.704 25449 8478 1 17 . 1 1 61 61 ASP H H 61 6.920 6.920 8.534 -1.614 25449 8479 1 17 . 1 1 62 62 ALA N N 62 122.700 122.700 122.697 0.003 25449 8480 1 17 . 1 1 62 62 ALA HA H 62 3.380 3.380 3.497 -0.117 25449 8481 1 17 . 1 1 62 62 ALA C C 62 171.600 171.600 179.432 -7.832 25449 8482 1 17 . 1 1 62 62 ALA CA C 62 55.100 55.100 55.025 0.075 25449 8483 1 17 . 1 1 62 62 ALA CB C 62 18.200 18.200 18.238 -0.038 25449 8484 1 17 . 1 1 62 62 ALA H H 62 6.910 6.910 7.670 -0.760 25449 8485 1 17 . 1 1 63 63 LYS N N 63 116.200 116.200 118.201 -2.001 25449 8486 1 17 . 1 1 63 63 LYS HA H 63 4.190 4.190 3.914 0.276 25449 8487 1 17 . 1 1 63 63 LYS C C 63 179.200 179.200 179.162 0.038 25449 8488 1 17 . 1 1 63 63 LYS CA C 63 59.300 59.300 59.349 -0.049 25449 8489 1 17 . 1 1 63 63 LYS CB C 63 32.600 32.600 31.871 0.729 25449 8490 1 17 . 1 1 63 63 LYS H H 63 8.020 8.020 7.692 0.328 25449 8491 1 17 . 1 1 64 64 HIS N N 64 117.400 117.400 117.647 -0.247 25449 8492 1 17 . 1 1 64 64 HIS HA H 64 4.310 4.310 4.356 -0.046 25449 8493 1 17 . 1 1 64 64 HIS CA C 64 58.000 58.000 58.327 -0.327 25449 8494 1 17 . 1 1 64 64 HIS CB C 64 29.100 29.100 29.744 -0.643 25449 8495 1 17 . 1 1 64 64 HIS H H 64 7.460 7.460 7.443 0.017 25449 8496 1 17 . 1 1 65 65 ALA N N 65 123.700 123.700 122.188 1.512 25449 8497 1 17 . 1 1 65 65 ALA HA H 65 2.170 2.170 3.868 -1.698 25449 8498 1 17 . 1 1 65 65 ALA C C 65 178.700 178.700 178.678 0.022 25449 8499 1 17 . 1 1 65 65 ALA CA C 65 54.800 54.800 54.827 -0.027 25449 8500 1 17 . 1 1 65 65 ALA CB C 65 19.400 19.400 18.739 0.661 25449 8501 1 17 . 1 1 65 65 ALA H H 65 8.190 8.190 7.425 0.765 25449 8502 1 17 . 1 1 66 66 LEU N N 66 119.800 119.800 117.934 1.866 25449 8503 1 17 . 1 1 66 66 LEU HA H 66 3.430 3.430 4.109 -0.679 25449 8504 1 17 . 1 1 66 66 LEU C C 66 178.700 178.700 178.973 -0.273 25449 8505 1 17 . 1 1 66 66 LEU CA C 66 59.700 59.700 57.458 2.242 25449 8506 1 17 . 1 1 66 66 LEU CB C 66 41.100 41.100 41.800 -0.700 25449 8507 1 17 . 1 1 66 66 LEU H H 66 8.340 8.340 7.470 0.870 25449 8508 1 17 . 1 1 67 67 TYR N N 67 116.200 116.200 120.219 -4.019 25449 8509 1 17 . 1 1 67 67 TYR HA H 67 4.010 4.010 4.121 -0.111 25449 8510 1 17 . 1 1 67 67 TYR C C 67 177.700 177.700 177.698 0.002 25449 8511 1 17 . 1 1 67 67 TYR CA C 67 60.500 60.500 62.307 -1.808 25449 8512 1 17 . 1 1 67 67 TYR CB C 67 38.100 38.100 38.549 -0.449 25449 8513 1 17 . 1 1 67 67 TYR H H 67 7.760 7.760 7.798 -0.038 25449 8514 1 17 . 1 1 68 68 ASN N N 68 113.900 113.900 115.510 -1.610 25449 8515 1 17 . 1 1 68 68 ASN HA H 68 4.430 4.430 4.617 -0.187 25449 8516 1 17 . 1 1 68 68 ASN C C 68 176.400 176.400 176.074 0.326 25449 8517 1 17 . 1 1 68 68 ASN CA C 68 55.600 55.600 54.756 0.844 25449 8518 1 17 . 1 1 68 68 ASN CB C 68 41.400 41.400 38.555 2.845 25449 8519 1 17 . 1 1 68 68 ASN H H 68 7.480 7.480 7.892 -0.412 25449 8520 1 17 . 1 1 69 69 MET N N 69 114.900 114.900 116.802 -1.902 25449 8521 1 17 . 1 1 69 69 MET HA H 69 4.760 4.760 4.561 0.199 25449 8522 1 17 . 1 1 69 69 MET C C 69 177.000 177.000 176.331 0.669 25449 8523 1 17 . 1 1 69 69 MET CA C 69 53.500 53.500 54.027 -0.527 25449 8524 1 17 . 1 1 69 69 MET CB C 69 31.100 31.100 32.531 -1.431 25449 8525 1 17 . 1 1 69 69 MET H H 69 8.310 8.310 7.403 0.907 25449 8526 1 17 . 1 1 70 70 ASN N N 70 117.700 117.700 117.951 -0.251 25449 8527 1 17 . 1 1 70 70 ASN HA H 70 4.370 4.370 4.558 -0.188 25449 8528 1 17 . 1 1 70 70 ASN C C 70 176.400 176.400 175.578 0.822 25449 8529 1 17 . 1 1 70 70 ASN CA C 70 56.100 56.100 55.962 0.139 25449 8530 1 17 . 1 1 70 70 ASN CB C 70 38.700 38.700 39.238 -0.538 25449 8531 1 17 . 1 1 70 70 ASN H H 70 7.660 7.660 7.833 -0.173 25449 8532 1 17 . 1 1 71 71 ASN N N 71 121.500 121.500 115.610 5.890 25449 8533 1 17 . 1 1 71 71 ASN HA H 71 4.510 4.510 4.691 -0.181 25449 8534 1 17 . 1 1 71 71 ASN C C 71 173.300 173.300 174.527 -1.227 25449 8535 1 17 . 1 1 71 71 ASN CA C 71 55.800 55.800 52.830 2.970 25449 8536 1 17 . 1 1 71 71 ASN CB C 71 38.200 38.200 38.606 -0.406 25449 8537 1 17 . 1 1 71 71 ASN H H 71 8.600 8.600 8.361 0.239 25449 8538 1 17 . 1 1 72 72 PHE N N 72 122.300 122.300 121.809 0.491 25449 8539 1 17 . 1 1 72 72 PHE HA H 72 4.190 4.190 4.502 -0.312 25449 8540 1 17 . 1 1 72 72 PHE C C 72 174.100 174.100 173.948 0.152 25449 8541 1 17 . 1 1 72 72 PHE CA C 72 58.700 58.700 57.272 1.428 25449 8542 1 17 . 1 1 72 72 PHE CB C 72 41.300 41.300 40.017 1.283 25449 8543 1 17 . 1 1 72 72 PHE H H 72 7.870 7.870 7.596 0.274 25449 8544 1 17 . 1 1 73 73 GLU N N 73 126.100 126.100 127.265 -1.165 25449 8545 1 17 . 1 1 73 73 GLU HA H 73 4.230 4.230 4.553 -0.323 25449 8546 1 17 . 1 1 73 73 GLU C C 73 173.000 173.000 174.292 -1.292 25449 8547 1 17 . 1 1 73 73 GLU CA C 73 55.600 55.600 53.853 1.747 25449 8548 1 17 . 1 1 73 73 GLU CB C 73 30.300 30.300 31.493 -1.193 25449 8549 1 17 . 1 1 73 73 GLU H H 73 7.690 7.690 8.197 -0.507 25449 8550 1 17 . 1 1 74 74 LEU N N 74 128.900 128.900 123.282 5.618 25449 8551 1 17 . 1 1 74 74 LEU HA H 74 4.520 4.520 4.310 0.210 25449 8552 1 17 . 1 1 74 74 LEU C C 74 175.500 175.500 175.673 -0.173 25449 8553 1 17 . 1 1 74 74 LEU CA C 74 53.300 53.300 54.629 -1.329 25449 8554 1 17 . 1 1 74 74 LEU CB C 74 44.600 44.600 43.694 0.906 25449 8555 1 17 . 1 1 74 74 LEU H H 74 8.620 8.620 7.863 0.757 25449 8556 1 17 . 1 1 75 75 ASN N N 75 126.800 126.800 121.266 5.534 25449 8557 1 17 . 1 1 75 75 ASN HA H 75 4.210 4.210 4.489 -0.279 25449 8558 1 17 . 1 1 75 75 ASN C C 75 175.600 175.600 175.540 0.060 25449 8559 1 17 . 1 1 75 75 ASN CA C 75 53.900 53.900 53.467 0.433 25449 8560 1 17 . 1 1 75 75 ASN CB C 75 36.900 36.900 37.674 -0.774 25449 8561 1 17 . 1 1 75 75 ASN H H 75 9.520 9.520 8.712 0.808 25449 8562 1 17 . 1 1 76 76 GLY N N 76 102.300 102.300 105.227 -2.927 25449 8563 1 17 . 1 1 76 76 GLY C C 76 173.600 173.600 173.374 0.226 25449 8564 1 17 . 1 1 76 76 GLY CA C 76 45.300 45.300 44.959 0.341 25449 8565 1 17 . 1 1 76 76 GLY H H 76 8.500 8.500 8.196 0.304 25449 8566 1 17 . 1 1 77 77 LYS N N 77 120.800 120.800 119.321 1.479 25449 8567 1 17 . 1 1 77 77 LYS HA H 77 4.570 4.570 4.455 0.115 25449 8568 1 17 . 1 1 77 77 LYS C C 77 175.100 175.100 174.740 0.360 25449 8569 1 17 . 1 1 77 77 LYS CA C 77 54.200 54.200 55.221 -1.021 25449 8570 1 17 . 1 1 77 77 LYS CB C 77 34.500 34.500 34.521 -0.021 25449 8571 1 17 . 1 1 77 77 LYS H H 77 7.580 7.580 7.649 -0.069 25449 8572 1 17 . 1 1 78 78 ARG N N 78 123.300 123.300 125.058 -1.758 25449 8573 1 17 . 1 1 78 78 ARG HA H 78 4.480 4.480 4.498 -0.018 25449 8574 1 17 . 1 1 78 78 ARG C C 78 176.600 176.600 175.577 1.023 25449 8575 1 17 . 1 1 78 78 ARG CA C 78 55.300 55.300 54.787 0.513 25449 8576 1 17 . 1 1 78 78 ARG CB C 78 30.300 30.300 30.824 -0.524 25449 8577 1 17 . 1 1 78 78 ARG H H 78 8.580 8.580 8.440 0.140 25449 8578 1 17 . 1 1 79 79 ILE N N 79 120.100 120.100 123.225 -3.125 25449 8579 1 17 . 1 1 79 79 ILE HA H 79 4.700 4.700 4.374 0.326 25449 8580 1 17 . 1 1 79 79 ILE C C 79 175.200 175.200 174.832 0.368 25449 8581 1 17 . 1 1 79 79 ILE CA C 79 60.000 60.000 60.216 -0.216 25449 8582 1 17 . 1 1 79 79 ILE CB C 79 39.400 39.400 39.583 -0.183 25449 8583 1 17 . 1 1 79 79 ILE H H 79 8.450 8.450 8.525 -0.075 25449 8584 1 17 . 1 1 80 80 HIS N N 80 119.900 119.900 124.306 -4.406 25449 8585 1 17 . 1 1 80 80 HIS HA H 80 5.190 5.190 4.789 0.401 25449 8586 1 17 . 1 1 80 80 HIS C C 80 173.600 173.600 174.139 -0.539 25449 8587 1 17 . 1 1 80 80 HIS CA C 80 53.800 53.800 55.282 -1.482 25449 8588 1 17 . 1 1 80 80 HIS CB C 80 31.300 31.300 31.299 0.001 25449 8589 1 17 . 1 1 80 80 HIS H H 80 8.580 8.580 7.976 0.604 25449 8590 1 17 . 1 1 81 81 VAL N N 81 123.800 123.800 124.465 -0.665 25449 8591 1 17 . 1 1 81 81 VAL HA H 81 5.280 5.280 4.943 0.337 25449 8592 1 17 . 1 1 81 81 VAL C C 81 173.600 173.600 174.918 -1.318 25449 8593 1 17 . 1 1 81 81 VAL CA C 81 60.200 60.200 61.161 -0.961 25449 8594 1 17 . 1 1 81 81 VAL CB C 81 35.000 35.000 33.559 1.441 25449 8595 1 17 . 1 1 81 81 VAL H H 81 8.650 8.650 8.526 0.124 25449 8596 1 17 . 1 1 82 82 ASN N N 82 121.100 121.100 122.699 -1.599 25449 8597 1 17 . 1 1 82 82 ASN HA H 82 4.750 4.750 5.219 -0.469 25449 8598 1 17 . 1 1 82 82 ASN C C 82 174.000 174.000 173.493 0.507 25449 8599 1 17 . 1 1 82 82 ASN CA C 82 51.900 51.900 51.852 0.048 25449 8600 1 17 . 1 1 82 82 ASN CB C 82 42.900 42.900 42.160 0.741 25449 8601 1 17 . 1 1 82 82 ASN H H 82 8.890 8.890 8.254 0.636 25449 8602 1 17 . 1 1 83 83 TYR N N 83 120.400 120.400 119.885 0.515 25449 8603 1 17 . 1 1 83 83 TYR HA H 83 4.800 4.800 4.737 0.063 25449 8604 1 17 . 1 1 83 83 TYR C C 83 177.100 177.100 175.118 1.982 25449 8605 1 17 . 1 1 83 83 TYR CA C 83 59.400 59.400 58.332 1.068 25449 8606 1 17 . 1 1 83 83 TYR CB C 83 38.700 38.700 39.944 -1.244 25449 8607 1 17 . 1 1 83 83 TYR H H 83 8.480 8.480 8.600 -0.120 25449 8608 1 17 . 1 1 84 84 SER N N 84 118.000 118.000 118.062 -0.062 25449 8609 1 17 . 1 1 84 84 SER HA H 84 4.520 4.520 4.475 0.045 25449 8610 1 17 . 1 1 84 84 SER C C 84 174.100 174.100 172.032 2.068 25449 8611 1 17 . 1 1 84 84 SER CA C 84 57.700 57.700 56.688 1.012 25449 8612 1 17 . 1 1 84 84 SER CB C 84 64.300 64.300 66.343 -2.043 25449 8613 1 17 . 1 1 84 84 SER H H 84 9.040 9.040 7.539 1.501 25449 8614 1 17 . 1 1 85 85 LYS N N 85 125.300 125.300 120.009 5.291 25449 8615 1 17 . 1 1 85 85 LYS HA H 85 4.440 4.440 4.332 0.108 25449 8616 1 17 . 1 1 85 85 LYS C C 85 175.600 175.600 175.412 0.188 25449 8617 1 17 . 1 1 85 85 LYS CA C 85 56.300 56.300 55.364 0.936 25449 8618 1 17 . 1 1 85 85 LYS CB C 85 33.700 33.700 33.260 0.440 25449 8619 1 17 . 1 1 85 85 LYS H H 85 8.410 8.410 8.196 0.214 25449 8620 1 18 . 1 1 -1 -1 SER N N -1 115.600 115.600 116.200 -0.600 25449 8621 1 18 . 1 1 -1 -1 SER HA H -1 4.410 4.410 4.512 -0.102 25449 8622 1 18 . 1 1 -1 -1 SER C C -1 172.000 172.000 173.625 -1.625 25449 8623 1 18 . 1 1 -1 -1 SER CA C -1 58.200 58.200 58.397 -0.197 25449 8624 1 18 . 1 1 -1 -1 SER CB C -1 63.900 63.900 64.549 -0.649 25449 8625 1 18 . 1 1 -1 -1 SER H H -1 8.670 8.670 8.376 0.294 25449 8626 1 18 . 1 1 0 0 HIS N N 0 121.200 121.200 121.385 -0.185 25449 8627 1 18 . 1 1 0 0 HIS HA H 0 4.590 4.590 4.824 -0.234 25449 8628 1 18 . 1 1 0 0 HIS C C 0 174.800 174.800 174.300 0.500 25449 8629 1 18 . 1 1 0 0 HIS CA C 0 56.100 56.100 55.703 0.397 25449 8630 1 18 . 1 1 0 0 HIS CB C 0 29.900 29.900 29.785 0.115 25449 8631 1 18 . 1 1 0 0 HIS H H 0 8.730 8.730 8.382 0.348 25449 8632 1 18 . 1 1 1 1 MET N N 1 121.800 121.800 124.098 -2.298 25449 8633 1 18 . 1 1 1 1 MET HA H 1 4.370 4.370 4.520 -0.150 25449 8634 1 18 . 1 1 1 1 MET C C 1 176.300 176.300 175.980 0.320 25449 8635 1 18 . 1 1 1 1 MET CA C 1 55.700 55.700 54.364 1.336 25449 8636 1 18 . 1 1 1 1 MET CB C 1 32.800 32.800 33.322 -0.522 25449 8637 1 18 . 1 1 1 1 MET H H 1 8.450 8.450 8.662 -0.212 25449 8638 1 18 . 1 1 2 2 SER N N 2 116.700 116.700 115.767 0.933 25449 8639 1 18 . 1 1 2 2 SER HA H 2 4.370 4.370 4.687 -0.317 25449 8640 1 18 . 1 1 2 2 SER C C 2 174.200 174.200 173.577 0.623 25449 8641 1 18 . 1 1 2 2 SER CA C 2 58.400 58.400 58.180 0.220 25449 8642 1 18 . 1 1 2 2 SER CB C 2 63.800 63.800 63.847 -0.047 25449 8643 1 18 . 1 1 2 2 SER H H 2 8.410 8.410 8.294 0.116 25449 8644 1 18 . 1 1 3 3 ASP N N 3 122.100 122.100 122.753 -0.653 25449 8645 1 18 . 1 1 3 3 ASP HA H 3 4.550 4.550 4.680 -0.130 25449 8646 1 18 . 1 1 3 3 ASP C C 3 176.100 176.100 175.622 0.478 25449 8647 1 18 . 1 1 3 3 ASP CA C 3 54.500 54.500 54.428 0.072 25449 8648 1 18 . 1 1 3 3 ASP CB C 3 41.200 41.200 41.564 -0.364 25449 8649 1 18 . 1 1 3 3 ASP H H 3 8.340 8.340 8.738 -0.398 25449 8650 1 18 . 1 1 4 4 ASN N N 4 119.100 119.100 117.478 1.622 25449 8651 1 18 . 1 1 4 4 ASN HA H 4 4.580 4.580 4.648 -0.068 25449 8652 1 18 . 1 1 4 4 ASN C C 4 174.900 174.900 173.359 1.541 25449 8653 1 18 . 1 1 4 4 ASN CA C 4 53.700 53.700 52.542 1.158 25449 8654 1 18 . 1 1 4 4 ASN CB C 4 38.900 38.900 39.540 -0.640 25449 8655 1 18 . 1 1 4 4 ASN H H 4 8.420 8.420 7.784 0.636 25449 8656 1 18 . 1 1 5 5 ASN N N 5 118.400 118.400 118.142 0.258 25449 8657 1 18 . 1 1 5 5 ASN HA H 5 4.540 4.540 4.686 -0.146 25449 8658 1 18 . 1 1 5 5 ASN C C 5 173.900 173.900 174.668 -0.768 25449 8659 1 18 . 1 1 5 5 ASN CA C 5 53.200 53.200 52.838 0.362 25449 8660 1 18 . 1 1 5 5 ASN CB C 5 38.700 38.700 38.395 0.305 25449 8661 1 18 . 1 1 5 5 ASN H H 5 8.340 8.340 8.568 -0.228 25449 8662 1 18 . 1 1 6 6 ALA N N 6 122.100 122.100 120.296 1.804 25449 8663 1 18 . 1 1 6 6 ALA HA H 6 2.740 2.740 3.759 -1.019 25449 8664 1 18 . 1 1 6 6 ALA C C 6 177.000 177.000 176.251 0.749 25449 8665 1 18 . 1 1 6 6 ALA CA C 6 52.300 52.300 52.762 -0.462 25449 8666 1 18 . 1 1 6 6 ALA CB C 6 20.000 20.000 18.387 1.613 25449 8667 1 18 . 1 1 6 6 ALA H H 6 7.590 7.590 7.452 0.138 25449 8668 1 18 . 1 1 7 7 THR N N 7 112.700 112.700 118.305 -5.605 25449 8669 1 18 . 1 1 7 7 THR HA H 7 4.390 4.390 4.421 -0.031 25449 8670 1 18 . 1 1 7 7 THR C C 7 171.700 171.700 175.440 -3.740 25449 8671 1 18 . 1 1 7 7 THR CA C 7 59.800 59.800 61.425 -1.625 25449 8672 1 18 . 1 1 7 7 THR CB C 7 70.600 70.600 70.057 0.543 25449 8673 1 18 . 1 1 7 7 THR H H 7 6.840 6.840 8.348 -1.508 25449 8674 1 18 . 1 1 8 8 ASP N N 8 114.600 114.600 123.597 -8.997 25449 8675 1 18 . 1 1 8 8 ASP HA H 8 4.490 4.490 4.334 0.156 25449 8676 1 18 . 1 1 8 8 ASP C C 8 174.300 174.300 174.785 -0.485 25449 8677 1 18 . 1 1 8 8 ASP CA C 8 53.500 53.500 55.789 -2.289 25449 8678 1 18 . 1 1 8 8 ASP CB C 8 39.800 39.800 40.281 -0.481 25449 8679 1 18 . 1 1 8 8 ASP H H 8 8.170 8.170 8.728 -0.558 25449 8680 1 18 . 1 1 9 9 ILE N N 9 117.800 117.800 118.651 -0.851 25449 8681 1 18 . 1 1 9 9 ILE HA H 9 4.810 4.810 4.931 -0.121 25449 8682 1 18 . 1 1 9 9 ILE C C 9 174.700 174.700 174.401 0.299 25449 8683 1 18 . 1 1 9 9 ILE CA C 9 60.600 60.600 60.268 0.332 25449 8684 1 18 . 1 1 9 9 ILE CB C 9 40.300 40.300 40.615 -0.315 25449 8685 1 18 . 1 1 9 9 ILE H H 9 7.890 7.890 7.426 0.465 25449 8686 1 18 . 1 1 10 10 LEU N N 10 125.300 125.300 126.725 -1.425 25449 8687 1 18 . 1 1 10 10 LEU HA H 10 4.960 4.960 4.928 0.032 25449 8688 1 18 . 1 1 10 10 LEU C C 10 176.100 176.100 175.163 0.937 25449 8689 1 18 . 1 1 10 10 LEU CA C 10 52.900 52.900 53.850 -0.950 25449 8690 1 18 . 1 1 10 10 LEU CB C 10 43.100 43.100 45.333 -2.233 25449 8691 1 18 . 1 1 10 10 LEU H H 10 9.370 9.370 8.183 1.187 25449 8692 1 18 . 1 1 11 11 PHE N N 11 124.300 124.300 127.058 -2.758 25449 8693 1 18 . 1 1 11 11 PHE HA H 11 4.670 4.670 4.831 -0.161 25449 8694 1 18 . 1 1 11 11 PHE C C 11 173.400 173.400 174.005 -0.605 25449 8695 1 18 . 1 1 11 11 PHE CA C 11 57.000 57.000 57.955 -0.955 25449 8696 1 18 . 1 1 11 11 PHE CB C 11 40.700 40.700 40.809 -0.109 25449 8697 1 18 . 1 1 11 11 PHE H H 11 9.310 9.310 8.594 0.716 25449 8698 1 18 . 1 1 12 12 VAL N N 12 128.300 128.300 125.515 2.785 25449 8699 1 18 . 1 1 12 12 VAL HA H 12 4.420 4.420 4.182 0.238 25449 8700 1 18 . 1 1 12 12 VAL C C 12 173.900 173.900 174.554 -0.654 25449 8701 1 18 . 1 1 12 12 VAL CA C 12 60.200 60.200 60.141 0.059 25449 8702 1 18 . 1 1 12 12 VAL CB C 12 33.100 33.100 35.335 -2.235 25449 8703 1 18 . 1 1 12 12 VAL H H 12 8.380 8.380 7.941 0.439 25449 8704 1 18 . 1 1 13 13 GLY N N 13 111.800 111.800 111.225 0.575 25449 8705 1 18 . 1 1 13 13 GLY C C 13 173.800 173.800 173.672 0.128 25449 8706 1 18 . 1 1 13 13 GLY CA C 13 43.400 43.400 43.611 -0.211 25449 8707 1 18 . 1 1 13 13 GLY H H 13 9.150 9.150 8.423 0.727 25449 8708 1 18 . 1 1 14 14 GLY N N 14 107.600 107.600 107.191 0.409 25449 8709 1 18 . 1 1 14 14 GLY C C 14 175.400 175.400 173.739 1.661 25449 8710 1 18 . 1 1 14 14 GLY CA C 14 45.800 45.800 44.828 0.972 25449 8711 1 18 . 1 1 14 14 GLY H H 14 8.260 8.260 8.344 -0.084 25449 8712 1 18 . 1 1 15 15 ILE N N 15 111.100 111.100 122.647 -11.547 25449 8713 1 18 . 1 1 15 15 ILE HA H 15 4.040 4.040 4.180 -0.140 25449 8714 1 18 . 1 1 15 15 ILE C C 15 175.500 175.500 175.184 0.316 25449 8715 1 18 . 1 1 15 15 ILE CA C 15 60.500 60.500 59.090 1.410 25449 8716 1 18 . 1 1 15 15 ILE CB C 15 38.500 38.500 40.260 -1.760 25449 8717 1 18 . 1 1 15 15 ILE H H 15 6.930 6.930 8.128 -1.198 25449 8718 1 18 . 1 1 16 16 ASP N N 16 122.800 122.800 122.349 0.451 25449 8719 1 18 . 1 1 16 16 ASP HA H 16 4.580 4.580 4.518 0.062 25449 8720 1 18 . 1 1 16 16 ASP C C 16 177.200 177.200 176.922 0.278 25449 8721 1 18 . 1 1 16 16 ASP CA C 16 53.700 53.700 54.267 -0.567 25449 8722 1 18 . 1 1 16 16 ASP CB C 16 42.500 42.500 42.778 -0.278 25449 8723 1 18 . 1 1 16 16 ASP H H 16 8.320 8.320 8.708 -0.388 25449 8724 1 18 . 1 1 17 17 GLU N N 17 119.600 119.600 121.369 -1.769 25449 8725 1 18 . 1 1 17 17 GLU HA H 17 4.140 4.140 4.244 -0.104 25449 8726 1 18 . 1 1 17 17 GLU C C 17 176.800 176.800 176.555 0.245 25449 8727 1 18 . 1 1 17 17 GLU CA C 17 58.600 58.600 57.640 0.960 25449 8728 1 18 . 1 1 17 17 GLU CB C 17 29.800 29.800 29.233 0.567 25449 8729 1 18 . 1 1 17 17 GLU H H 17 8.830 8.830 8.739 0.091 25449 8730 1 18 . 1 1 18 18 THR N N 18 111.300 111.300 115.356 -4.056 25449 8731 1 18 . 1 1 18 18 THR HA H 18 4.250 4.250 4.505 -0.255 25449 8732 1 18 . 1 1 18 18 THR C C 18 175.200 175.200 174.541 0.659 25449 8733 1 18 . 1 1 18 18 THR CA C 18 62.600 62.600 61.064 1.536 25449 8734 1 18 . 1 1 18 18 THR CB C 18 69.600 69.600 68.944 0.656 25449 8735 1 18 . 1 1 18 18 THR H H 18 8.740 8.740 7.756 0.984 25449 8736 1 18 . 1 1 19 19 ILE N N 19 123.300 123.300 118.356 4.944 25449 8737 1 18 . 1 1 19 19 ILE HA H 19 3.880 3.880 4.328 -0.448 25449 8738 1 18 . 1 1 19 19 ILE C C 19 174.300 174.300 174.559 -0.259 25449 8739 1 18 . 1 1 19 19 ILE CA C 19 59.900 59.900 58.976 0.924 25449 8740 1 18 . 1 1 19 19 ILE CB C 19 35.600 35.600 38.340 -2.740 25449 8741 1 18 . 1 1 19 19 ILE H H 19 7.220 7.220 7.520 -0.300 25449 8742 1 18 . 1 1 20 20 ASP N N 20 125.600 125.600 122.383 3.217 25449 8743 1 18 . 1 1 20 20 ASP HA H 20 4.640 4.640 4.769 -0.129 25449 8744 1 18 . 1 1 20 20 ASP C C 20 175.300 175.300 176.444 -1.144 25449 8745 1 18 . 1 1 20 20 ASP CA C 20 51.500 51.500 53.222 -1.722 25449 8746 1 18 . 1 1 20 20 ASP CB C 20 43.000 43.000 43.130 -0.130 25449 8747 1 18 . 1 1 20 20 ASP H H 20 7.790 7.790 8.119 -0.329 25449 8748 1 18 . 1 1 21 21 GLU N N 21 118.400 118.400 122.005 -3.605 25449 8749 1 18 . 1 1 21 21 GLU HA H 21 3.630 3.630 3.994 -0.364 25449 8750 1 18 . 1 1 21 21 GLU C C 21 177.900 177.900 178.068 -0.168 25449 8751 1 18 . 1 1 21 21 GLU CA C 21 60.900 60.900 60.091 0.809 25449 8752 1 18 . 1 1 21 21 GLU CB C 21 29.200 29.200 29.799 -0.599 25449 8753 1 18 . 1 1 21 21 GLU H H 21 9.220 9.220 8.956 0.264 25449 8754 1 18 . 1 1 22 22 LYS N N 22 119.700 119.700 118.016 1.684 25449 8755 1 18 . 1 1 22 22 LYS HA H 22 4.060 4.060 4.217 -0.157 25449 8756 1 18 . 1 1 22 22 LYS C C 22 178.500 178.500 178.820 -0.320 25449 8757 1 18 . 1 1 22 22 LYS CA C 22 59.300 59.300 58.480 0.820 25449 8758 1 18 . 1 1 22 22 LYS CB C 22 31.800 31.800 31.612 0.188 25449 8759 1 18 . 1 1 22 22 LYS H H 22 8.040 8.040 8.384 -0.344 25449 8760 1 18 . 1 1 23 23 SER N N 23 114.900 114.900 117.125 -2.225 25449 8761 1 18 . 1 1 23 23 SER HA H 23 4.300 4.300 4.252 0.048 25449 8762 1 18 . 1 1 23 23 SER C C 23 177.600 177.600 176.093 1.507 25449 8763 1 18 . 1 1 23 23 SER CA C 23 61.800 61.800 61.699 0.101 25449 8764 1 18 . 1 1 23 23 SER CB C 23 62.900 62.900 62.636 0.264 25449 8765 1 18 . 1 1 23 23 SER H H 23 8.240 8.240 8.071 0.169 25449 8766 1 18 . 1 1 24 24 LEU N N 24 118.800 118.800 120.933 -2.133 25449 8767 1 18 . 1 1 24 24 LEU HA H 24 4.180 4.180 4.154 0.026 25449 8768 1 18 . 1 1 24 24 LEU C C 24 178.700 178.700 178.741 -0.041 25449 8769 1 18 . 1 1 24 24 LEU CA C 24 57.300 57.300 56.887 0.413 25449 8770 1 18 . 1 1 24 24 LEU CB C 24 42.100 42.100 41.476 0.624 25449 8771 1 18 . 1 1 24 24 LEU H H 24 7.750 7.750 7.413 0.337 25449 8772 1 18 . 1 1 25 25 TYR N N 25 123.200 123.200 120.407 2.793 25449 8773 1 18 . 1 1 25 25 TYR HA H 25 3.630 3.630 4.031 -0.401 25449 8774 1 18 . 1 1 25 25 TYR C C 25 178.600 178.600 177.233 1.367 25449 8775 1 18 . 1 1 25 25 TYR CA C 25 63.200 63.200 61.855 1.345 25449 8776 1 18 . 1 1 25 25 TYR CB C 25 38.200 38.200 38.541 -0.341 25449 8777 1 18 . 1 1 25 25 TYR H H 25 8.970 8.970 7.612 1.358 25449 8778 1 18 . 1 1 26 26 ASP N N 26 119.800 119.800 118.494 1.306 25449 8779 1 18 . 1 1 26 26 ASP HA H 26 4.270 4.270 4.487 -0.217 25449 8780 1 18 . 1 1 26 26 ASP C C 26 177.900 177.900 178.452 -0.552 25449 8781 1 18 . 1 1 26 26 ASP CA C 26 57.700 57.700 57.508 0.192 25449 8782 1 18 . 1 1 26 26 ASP CB C 26 40.000 40.000 41.304 -1.304 25449 8783 1 18 . 1 1 26 26 ASP H H 26 8.510 8.510 7.760 0.750 25449 8784 1 18 . 1 1 27 27 ILE N N 27 114.700 114.700 118.325 -3.625 25449 8785 1 18 . 1 1 27 27 ILE HA H 27 3.960 3.960 3.869 0.091 25449 8786 1 18 . 1 1 27 27 ILE C C 27 177.700 177.700 178.062 -0.362 25449 8787 1 18 . 1 1 27 27 ILE CA C 27 63.300 63.300 64.656 -1.357 25449 8788 1 18 . 1 1 27 27 ILE CB C 27 39.000 39.000 38.369 0.631 25449 8789 1 18 . 1 1 27 27 ILE H H 27 7.320 7.320 7.584 -0.264 25449 8790 1 18 . 1 1 28 28 PHE N N 28 116.900 116.900 115.824 1.076 25449 8791 1 18 . 1 1 28 28 PHE HA H 28 4.370 4.370 4.474 -0.104 25449 8792 1 18 . 1 1 28 28 PHE C C 28 179.900 179.900 176.564 3.336 25449 8793 1 18 . 1 1 28 28 PHE CA C 28 62.300 62.300 58.949 3.352 25449 8794 1 18 . 1 1 28 28 PHE CB C 28 37.300 37.300 38.813 -1.513 25449 8795 1 18 . 1 1 28 28 PHE H H 28 8.650 8.650 8.100 0.550 25449 8796 1 18 . 1 1 29 29 SER N N 29 120.100 120.100 112.441 7.659 25449 8797 1 18 . 1 1 29 29 SER HA H 29 4.410 4.410 4.673 -0.263 25449 8798 1 18 . 1 1 29 29 SER C C 29 175.600 175.600 175.471 0.129 25449 8799 1 18 . 1 1 29 29 SER CA C 29 61.300 61.300 59.220 2.080 25449 8800 1 18 . 1 1 29 29 SER CB C 29 62.200 62.200 63.501 -1.301 25449 8801 1 18 . 1 1 29 29 SER H H 29 8.880 8.880 7.495 1.385 25449 8802 1 18 . 1 1 30 30 SER N N 30 116.200 116.200 117.475 -1.275 25449 8803 1 18 . 1 1 30 30 SER HA H 30 3.940 3.940 4.327 -0.387 25449 8804 1 18 . 1 1 30 30 SER C C 30 174.900 174.900 175.441 -0.541 25449 8805 1 18 . 1 1 30 30 SER CA C 30 60.400 60.400 60.738 -0.338 25449 8806 1 18 . 1 1 30 30 SER CB C 30 62.400 62.400 63.121 -0.721 25449 8807 1 18 . 1 1 30 30 SER H H 30 7.270 7.270 7.977 -0.707 25449 8808 1 18 . 1 1 31 31 PHE N N 31 115.600 115.600 121.878 -6.278 25449 8809 1 18 . 1 1 31 31 PHE HA H 31 4.280 4.280 4.568 -0.288 25449 8810 1 18 . 1 1 31 31 PHE C C 31 174.100 174.100 176.382 -2.282 25449 8811 1 18 . 1 1 31 31 PHE CA C 31 58.900 58.900 59.364 -0.464 25449 8812 1 18 . 1 1 31 31 PHE CB C 31 39.300 39.300 40.306 -1.006 25449 8813 1 18 . 1 1 31 31 PHE H H 31 6.980 6.980 7.838 -0.858 25449 8814 1 18 . 1 1 32 32 GLY N N 32 104.900 104.900 107.230 -2.330 25449 8815 1 18 . 1 1 32 32 GLY C C 32 171.600 171.600 172.834 -1.234 25449 8816 1 18 . 1 1 32 32 GLY CA C 32 44.300 44.300 44.569 -0.269 25449 8817 1 18 . 1 1 32 32 GLY H H 32 7.300 7.300 7.624 -0.324 25449 8818 1 18 . 1 1 33 33 ASP N N 33 116.100 116.100 125.765 -9.665 25449 8819 1 18 . 1 1 33 33 ASP HA H 33 4.510 4.510 4.479 0.031 25449 8820 1 18 . 1 1 33 33 ASP C C 33 176.800 176.800 174.623 2.177 25449 8821 1 18 . 1 1 33 33 ASP CA C 33 55.400 55.400 55.537 -0.137 25449 8822 1 18 . 1 1 33 33 ASP CB C 33 40.600 40.600 42.407 -1.807 25449 8823 1 18 . 1 1 33 33 ASP H H 33 8.120 8.120 8.271 -0.151 25449 8824 1 18 . 1 1 34 34 ILE N N 34 126.400 126.400 119.047 7.353 25449 8825 1 18 . 1 1 34 34 ILE HA H 34 3.850 3.850 4.083 -0.233 25449 8826 1 18 . 1 1 34 34 ILE C C 34 176.200 176.200 175.995 0.205 25449 8827 1 18 . 1 1 34 34 ILE CA C 34 60.200 60.200 57.966 2.234 25449 8828 1 18 . 1 1 34 34 ILE CB C 34 39.900 39.900 38.956 0.944 25449 8829 1 18 . 1 1 34 34 ILE H H 34 8.670 8.670 8.146 0.524 25449 8830 1 18 . 1 1 35 35 ARG N N 35 128.900 128.900 125.991 2.909 25449 8831 1 18 . 1 1 35 35 ARG HA H 35 4.160 4.160 4.155 0.004 25449 8832 1 18 . 1 1 35 35 ARG C C 35 175.600 175.600 176.260 -0.660 25449 8833 1 18 . 1 1 35 35 ARG CA C 35 57.500 57.500 58.539 -1.039 25449 8834 1 18 . 1 1 35 35 ARG CB C 35 31.700 31.700 31.072 0.628 25449 8835 1 18 . 1 1 35 35 ARG H H 35 9.320 9.320 8.375 0.945 25449 8836 1 18 . 1 1 36 36 ASN N N 36 114.300 114.300 113.916 0.384 25449 8837 1 18 . 1 1 36 36 ASN HA H 36 4.710 4.710 4.820 -0.110 25449 8838 1 18 . 1 1 36 36 ASN C C 36 172.000 172.000 172.882 -0.882 25449 8839 1 18 . 1 1 36 36 ASN CA C 36 53.500 53.500 53.190 0.311 25449 8840 1 18 . 1 1 36 36 ASN CB C 36 42.600 42.600 40.656 1.944 25449 8841 1 18 . 1 1 36 36 ASN H H 36 7.620 7.620 8.197 -0.577 25449 8842 1 18 . 1 1 37 37 ILE N N 37 122.700 122.700 122.456 0.244 25449 8843 1 18 . 1 1 37 37 ILE HA H 37 4.770 4.770 4.441 0.329 25449 8844 1 18 . 1 1 37 37 ILE C C 37 173.300 173.300 174.517 -1.217 25449 8845 1 18 . 1 1 37 37 ILE CA C 37 60.600 60.600 60.931 -0.331 25449 8846 1 18 . 1 1 37 37 ILE CB C 37 41.200 41.200 40.313 0.887 25449 8847 1 18 . 1 1 37 37 ILE H H 37 8.030 8.030 8.500 -0.470 25449 8848 1 18 . 1 1 38 38 GLU N N 38 126.700 126.700 128.765 -2.065 25449 8849 1 18 . 1 1 38 38 GLU HA H 38 4.660 4.660 4.681 -0.021 25449 8850 1 18 . 1 1 38 38 GLU C C 38 174.800 174.800 174.290 0.510 25449 8851 1 18 . 1 1 38 38 GLU CA C 38 54.400 54.400 55.343 -0.943 25449 8852 1 18 . 1 1 38 38 GLU CB C 38 33.400 33.400 31.148 2.252 25449 8853 1 18 . 1 1 38 38 GLU H H 38 8.870 8.870 8.583 0.287 25449 8854 1 18 . 1 1 39 39 VAL N N 39 126.400 126.400 127.166 -0.766 25449 8855 1 18 . 1 1 39 39 VAL CA C 39 58.700 58.700 58.987 -0.287 25449 8856 1 18 . 1 1 39 39 VAL CB C 39 32.600 32.600 32.965 -0.365 25449 8857 1 18 . 1 1 39 39 VAL H H 39 8.970 8.970 8.430 0.540 25449 8858 1 18 . 1 1 40 40 PRO HA H 40 4.230 4.230 4.331 -0.101 25449 8859 1 18 . 1 1 40 40 PRO C C 40 176.300 176.300 175.234 1.066 25449 8860 1 18 . 1 1 40 40 PRO CA C 40 63.300 63.300 63.022 0.278 25449 8861 1 18 . 1 1 40 40 PRO CB C 40 32.500 32.500 32.187 0.313 25449 8862 1 18 . 1 1 41 41 LEU N N 41 120.700 120.700 123.468 -2.768 25449 8863 1 18 . 1 1 41 41 LEU HA H 41 4.520 4.520 4.747 -0.227 25449 8864 1 18 . 1 1 41 41 LEU C C 41 177.900 177.900 175.801 2.099 25449 8865 1 18 . 1 1 41 41 LEU CA C 41 53.100 53.100 53.547 -0.447 25449 8866 1 18 . 1 1 41 41 LEU CB C 41 44.300 44.300 45.876 -1.576 25449 8867 1 18 . 1 1 41 41 LEU H H 41 8.520 8.520 8.121 0.399 25449 8868 1 18 . 1 1 42 42 ASN N N 42 121.400 121.400 122.646 -1.246 25449 8869 1 18 . 1 1 42 42 ASN HA H 42 4.560 4.560 4.990 -0.430 25449 8870 1 18 . 1 1 42 42 ASN C C 42 176.700 176.700 176.118 0.582 25449 8871 1 18 . 1 1 42 42 ASN CA C 42 52.900 52.900 52.205 0.695 25449 8872 1 18 . 1 1 42 42 ASN CB C 42 39.000 39.000 39.814 -0.814 25449 8873 1 18 . 1 1 42 42 ASN H H 42 8.740 8.740 8.375 0.365 25449 8874 1 18 . 1 1 43 43 MET N N 43 125.500 125.500 124.807 0.693 25449 8875 1 18 . 1 1 43 43 MET HA H 43 4.210 4.210 4.266 -0.056 25449 8876 1 18 . 1 1 43 43 MET C C 43 177.200 177.200 175.847 1.353 25449 8877 1 18 . 1 1 43 43 MET CA C 43 57.100 57.100 57.052 0.048 25449 8878 1 18 . 1 1 43 43 MET CB C 43 31.600 31.600 32.117 -0.517 25449 8879 1 18 . 1 1 43 43 MET H H 43 9.080 9.080 8.935 0.145 25449 8880 1 18 . 1 1 44 44 THR N N 44 114.400 114.400 113.419 0.981 25449 8881 1 18 . 1 1 44 44 THR HA H 44 4.160 4.160 4.227 -0.067 25449 8882 1 18 . 1 1 44 44 THR C C 44 175.900 175.900 175.638 0.262 25449 8883 1 18 . 1 1 44 44 THR CA C 44 65.200 65.200 64.648 0.552 25449 8884 1 18 . 1 1 44 44 THR CB C 44 68.700 68.700 69.076 -0.376 25449 8885 1 18 . 1 1 44 44 THR H H 44 8.590 8.590 7.945 0.645 25449 8886 1 18 . 1 1 45 45 THR N N 45 110.300 110.300 115.198 -4.898 25449 8887 1 18 . 1 1 45 45 THR HA H 45 4.160 4.160 4.445 -0.285 25449 8888 1 18 . 1 1 45 45 THR C C 45 175.500 175.500 172.706 2.794 25449 8889 1 18 . 1 1 45 45 THR CA C 45 62.000 62.000 61.343 0.657 25449 8890 1 18 . 1 1 45 45 THR CB C 45 70.000 70.000 69.769 0.231 25449 8891 1 18 . 1 1 45 45 THR H H 45 7.610 7.610 7.770 -0.160 25449 8892 1 18 . 1 1 46 46 LYS N N 46 115.700 115.700 121.806 -6.106 25449 8893 1 18 . 1 1 46 46 LYS HA H 46 3.720 3.720 3.908 -0.188 25449 8894 1 18 . 1 1 46 46 LYS C C 46 174.600 174.600 173.737 0.863 25449 8895 1 18 . 1 1 46 46 LYS CA C 46 57.600 57.600 57.401 0.199 25449 8896 1 18 . 1 1 46 46 LYS CB C 46 28.900 28.900 31.586 -2.686 25449 8897 1 18 . 1 1 46 46 LYS H H 46 8.460 8.460 7.948 0.512 25449 8898 1 18 . 1 1 47 47 LYS N N 47 117.100 117.100 121.897 -4.797 25449 8899 1 18 . 1 1 47 47 LYS HA H 47 4.680 4.680 4.584 0.096 25449 8900 1 18 . 1 1 47 47 LYS C C 47 176.300 176.300 176.771 -0.471 25449 8901 1 18 . 1 1 47 47 LYS CA C 47 54.000 54.000 53.981 0.019 25449 8902 1 18 . 1 1 47 47 LYS CB C 47 35.100 35.100 34.755 0.345 25449 8903 1 18 . 1 1 47 47 LYS H H 47 7.610 7.610 8.101 -0.491 25449 8904 1 18 . 1 1 48 48 ASN N N 48 117.700 117.700 120.785 -3.085 25449 8905 1 18 . 1 1 48 48 ASN HA H 48 4.700 4.700 4.902 -0.202 25449 8906 1 18 . 1 1 48 48 ASN C C 48 174.000 174.000 175.576 -1.576 25449 8907 1 18 . 1 1 48 48 ASN CA C 48 53.600 53.600 52.588 1.012 25449 8908 1 18 . 1 1 48 48 ASN CB C 48 37.700 37.700 39.132 -1.432 25449 8909 1 18 . 1 1 48 48 ASN H H 48 8.740 8.740 8.796 -0.056 25449 8910 1 18 . 1 1 49 49 ARG N N 49 116.800 116.800 116.674 0.126 25449 8911 1 18 . 1 1 49 49 ARG HA H 49 4.350 4.350 3.965 0.385 25449 8912 1 18 . 1 1 49 49 ARG C C 49 177.500 177.500 176.523 0.977 25449 8913 1 18 . 1 1 49 49 ARG CA C 49 55.600 55.600 56.520 -0.920 25449 8914 1 18 . 1 1 49 49 ARG CB C 49 31.600 31.600 27.090 4.510 25449 8915 1 18 . 1 1 49 49 ARG H H 49 8.530 8.530 8.398 0.132 25449 8916 1 18 . 1 1 50 50 GLY N N 50 108.300 108.300 106.373 1.927 25449 8917 1 18 . 1 1 50 50 GLY C C 50 173.500 173.500 173.190 0.310 25449 8918 1 18 . 1 1 50 50 GLY CA C 50 45.800 45.800 45.480 0.320 25449 8919 1 18 . 1 1 50 50 GLY H H 50 8.900 8.900 8.759 0.141 25449 8920 1 18 . 1 1 51 51 PHE N N 51 113.900 113.900 116.086 -2.186 25449 8921 1 18 . 1 1 51 51 PHE HA H 51 5.470 5.470 4.840 0.630 25449 8922 1 18 . 1 1 51 51 PHE C C 51 172.000 172.000 172.367 -0.367 25449 8923 1 18 . 1 1 51 51 PHE CA C 51 55.000 55.000 55.756 -0.756 25449 8924 1 18 . 1 1 51 51 PHE CB C 51 42.700 42.700 40.867 1.833 25449 8925 1 18 . 1 1 51 51 PHE H H 51 6.910 6.910 7.331 -0.421 25449 8926 1 18 . 1 1 52 52 ALA N N 52 120.500 120.500 125.115 -4.615 25449 8927 1 18 . 1 1 52 52 ALA HA H 52 4.630 4.630 4.326 0.304 25449 8928 1 18 . 1 1 52 52 ALA C C 52 173.900 173.900 174.528 -0.628 25449 8929 1 18 . 1 1 52 52 ALA CA C 52 50.200 50.200 50.555 -0.355 25449 8930 1 18 . 1 1 52 52 ALA CB C 52 25.100 25.100 22.481 2.619 25449 8931 1 18 . 1 1 52 52 ALA H H 52 8.810 8.810 7.985 0.825 25449 8932 1 18 . 1 1 53 53 PHE N N 53 115.000 115.000 119.198 -4.198 25449 8933 1 18 . 1 1 53 53 PHE HA H 53 5.660 5.660 4.935 0.725 25449 8934 1 18 . 1 1 53 53 PHE C C 53 175.600 175.600 175.201 0.399 25449 8935 1 18 . 1 1 53 53 PHE CA C 53 56.200 56.200 55.514 0.686 25449 8936 1 18 . 1 1 53 53 PHE CB C 53 42.400 42.400 41.515 0.885 25449 8937 1 18 . 1 1 53 53 PHE H H 53 8.730 8.730 7.999 0.731 25449 8938 1 18 . 1 1 54 54 VAL N N 54 122.300 122.300 121.566 0.734 25449 8939 1 18 . 1 1 54 54 VAL HA H 54 4.100 4.100 4.257 -0.157 25449 8940 1 18 . 1 1 54 54 VAL C C 54 173.000 173.000 174.047 -1.047 25449 8941 1 18 . 1 1 54 54 VAL CA C 54 61.700 61.700 61.573 0.127 25449 8942 1 18 . 1 1 54 54 VAL CB C 54 34.400 34.400 34.839 -0.439 25449 8943 1 18 . 1 1 54 54 VAL H H 54 9.060 9.060 8.476 0.584 25449 8944 1 18 . 1 1 55 55 GLU N N 55 127.300 127.300 126.614 0.686 25449 8945 1 18 . 1 1 55 55 GLU HA H 55 5.160 5.160 4.725 0.435 25449 8946 1 18 . 1 1 55 55 GLU C C 55 175.900 175.900 175.428 0.472 25449 8947 1 18 . 1 1 55 55 GLU CA C 55 54.000 54.000 54.711 -0.711 25449 8948 1 18 . 1 1 55 55 GLU CB C 55 31.700 31.700 32.030 -0.330 25449 8949 1 18 . 1 1 55 55 GLU H H 55 8.860 8.860 8.335 0.525 25449 8950 1 18 . 1 1 56 56 TYR N N 56 127.500 127.500 122.488 5.012 25449 8951 1 18 . 1 1 56 56 TYR HA H 56 4.520 4.520 4.508 0.012 25449 8952 1 18 . 1 1 56 56 TYR C C 56 175.000 175.000 176.232 -1.232 25449 8953 1 18 . 1 1 56 56 TYR CA C 56 59.700 59.700 59.007 0.693 25449 8954 1 18 . 1 1 56 56 TYR CB C 56 40.200 40.200 40.908 -0.708 25449 8955 1 18 . 1 1 56 56 TYR H H 56 9.470 9.470 8.065 1.405 25449 8956 1 18 . 1 1 57 57 VAL N N 57 119.200 119.200 119.763 -0.563 25449 8957 1 18 . 1 1 57 57 VAL HA H 57 3.570 3.570 3.992 -0.422 25449 8958 1 18 . 1 1 57 57 VAL C C 57 177.000 177.000 175.334 1.666 25449 8959 1 18 . 1 1 57 57 VAL CA C 57 66.300 66.300 64.049 2.251 25449 8960 1 18 . 1 1 57 57 VAL CB C 57 32.000 32.000 32.533 -0.533 25449 8961 1 18 . 1 1 57 57 VAL H H 57 7.800 7.800 8.022 -0.222 25449 8962 1 18 . 1 1 58 58 GLU N N 58 118.500 118.500 119.201 -0.701 25449 8963 1 18 . 1 1 58 58 GLU HA H 58 4.780 4.780 4.605 0.175 25449 8964 1 18 . 1 1 58 58 GLU C C 58 177.500 177.500 176.522 0.978 25449 8965 1 18 . 1 1 58 58 GLU CA C 58 53.800 53.800 55.155 -1.355 25449 8966 1 18 . 1 1 58 58 GLU CB C 58 30.500 30.500 30.834 -0.334 25449 8967 1 18 . 1 1 58 58 GLU H H 58 9.530 9.530 8.073 1.457 25449 8968 1 18 . 1 1 59 59 VAL N N 59 125.200 125.200 124.124 1.076 25449 8969 1 18 . 1 1 59 59 VAL HA H 59 3.530 3.530 3.821 -0.291 25449 8970 1 18 . 1 1 59 59 VAL C C 59 177.600 177.600 176.830 0.770 25449 8971 1 18 . 1 1 59 59 VAL CA C 59 66.100 66.100 65.199 0.901 25449 8972 1 18 . 1 1 59 59 VAL CB C 59 31.700 31.700 32.254 -0.554 25449 8973 1 18 . 1 1 59 59 VAL H H 59 8.650 8.650 8.748 -0.098 25449 8974 1 18 . 1 1 60 60 ASP N N 60 118.500 118.500 119.495 -0.995 25449 8975 1 18 . 1 1 60 60 ASP HA H 60 4.220 4.220 4.491 -0.271 25449 8976 1 18 . 1 1 60 60 ASP C C 60 178.300 178.300 177.858 0.442 25449 8977 1 18 . 1 1 60 60 ASP CA C 60 57.600 57.600 57.402 0.198 25449 8978 1 18 . 1 1 60 60 ASP CB C 60 40.500 40.500 40.468 0.032 25449 8979 1 18 . 1 1 60 60 ASP H H 60 8.970 8.970 8.590 0.380 25449 8980 1 18 . 1 1 61 61 ASP N N 61 119.900 119.900 120.062 -0.162 25449 8981 1 18 . 1 1 61 61 ASP HA H 61 4.360 4.360 4.438 -0.078 25449 8982 1 18 . 1 1 61 61 ASP C C 61 176.800 176.800 178.338 -1.538 25449 8983 1 18 . 1 1 61 61 ASP CA C 61 56.900 56.900 57.349 -0.449 25449 8984 1 18 . 1 1 61 61 ASP CB C 61 39.800 39.800 40.514 -0.714 25449 8985 1 18 . 1 1 61 61 ASP H H 61 6.920 6.920 8.534 -1.614 25449 8986 1 18 . 1 1 62 62 ALA N N 62 122.700 122.700 122.153 0.547 25449 8987 1 18 . 1 1 62 62 ALA HA H 62 3.380 3.380 3.287 0.093 25449 8988 1 18 . 1 1 62 62 ALA C C 62 171.600 171.600 179.296 -7.696 25449 8989 1 18 . 1 1 62 62 ALA CA C 62 55.100 55.100 54.809 0.291 25449 8990 1 18 . 1 1 62 62 ALA CB C 62 18.200 18.200 18.305 -0.105 25449 8991 1 18 . 1 1 62 62 ALA H H 62 6.910 6.910 7.770 -0.860 25449 8992 1 18 . 1 1 63 63 LYS N N 63 116.200 116.200 118.212 -2.012 25449 8993 1 18 . 1 1 63 63 LYS HA H 63 4.190 4.190 3.919 0.271 25449 8994 1 18 . 1 1 63 63 LYS C C 63 179.200 179.200 179.105 0.095 25449 8995 1 18 . 1 1 63 63 LYS CA C 63 59.300 59.300 59.566 -0.266 25449 8996 1 18 . 1 1 63 63 LYS CB C 63 32.600 32.600 32.091 0.509 25449 8997 1 18 . 1 1 63 63 LYS H H 63 8.020 8.020 7.654 0.366 25449 8998 1 18 . 1 1 64 64 HIS N N 64 117.400 117.400 117.159 0.241 25449 8999 1 18 . 1 1 64 64 HIS HA H 64 4.310 4.310 4.342 -0.032 25449 9000 1 18 . 1 1 64 64 HIS CA C 64 58.000 58.000 59.207 -1.207 25449 9001 1 18 . 1 1 64 64 HIS CB C 64 29.100 29.100 30.131 -1.031 25449 9002 1 18 . 1 1 64 64 HIS H H 64 7.460 7.460 7.525 -0.065 25449 9003 1 18 . 1 1 65 65 ALA N N 65 123.700 123.700 122.424 1.276 25449 9004 1 18 . 1 1 65 65 ALA HA H 65 2.170 2.170 4.348 -2.178 25449 9005 1 18 . 1 1 65 65 ALA C C 65 178.700 178.700 179.542 -0.842 25449 9006 1 18 . 1 1 65 65 ALA CA C 65 54.800 54.800 54.570 0.230 25449 9007 1 18 . 1 1 65 65 ALA CB C 65 19.400 19.400 18.651 0.749 25449 9008 1 18 . 1 1 65 65 ALA H H 65 8.190 8.190 7.729 0.461 25449 9009 1 18 . 1 1 66 66 LEU N N 66 119.800 119.800 119.126 0.674 25449 9010 1 18 . 1 1 66 66 LEU HA H 66 3.430 3.430 4.022 -0.592 25449 9011 1 18 . 1 1 66 66 LEU C C 66 178.700 178.700 178.133 0.567 25449 9012 1 18 . 1 1 66 66 LEU CA C 66 59.700 59.700 57.759 1.941 25449 9013 1 18 . 1 1 66 66 LEU CB C 66 41.100 41.100 41.389 -0.289 25449 9014 1 18 . 1 1 66 66 LEU H H 66 8.340 8.340 7.454 0.886 25449 9015 1 18 . 1 1 67 67 TYR N N 67 116.200 116.200 117.311 -1.111 25449 9016 1 18 . 1 1 67 67 TYR HA H 67 4.010 4.010 4.069 -0.059 25449 9017 1 18 . 1 1 67 67 TYR C C 67 177.700 177.700 178.281 -0.581 25449 9018 1 18 . 1 1 67 67 TYR CA C 67 60.500 60.500 61.757 -1.257 25449 9019 1 18 . 1 1 67 67 TYR CB C 67 38.100 38.100 38.861 -0.761 25449 9020 1 18 . 1 1 67 67 TYR H H 67 7.760 7.760 7.545 0.215 25449 9021 1 18 . 1 1 68 68 ASN N N 68 113.900 113.900 117.771 -3.871 25449 9022 1 18 . 1 1 68 68 ASN HA H 68 4.430 4.430 4.486 -0.056 25449 9023 1 18 . 1 1 68 68 ASN C C 68 176.400 176.400 176.446 -0.046 25449 9024 1 18 . 1 1 68 68 ASN CA C 68 55.600 55.600 55.685 -0.085 25449 9025 1 18 . 1 1 68 68 ASN CB C 68 41.400 41.400 38.367 3.033 25449 9026 1 18 . 1 1 68 68 ASN H H 68 7.480 7.480 7.776 -0.296 25449 9027 1 18 . 1 1 69 69 MET N N 69 114.900 114.900 116.966 -2.066 25449 9028 1 18 . 1 1 69 69 MET HA H 69 4.760 4.760 4.505 0.255 25449 9029 1 18 . 1 1 69 69 MET C C 69 177.000 177.000 176.601 0.399 25449 9030 1 18 . 1 1 69 69 MET CA C 69 53.500 53.500 53.925 -0.425 25449 9031 1 18 . 1 1 69 69 MET CB C 69 31.100 31.100 31.025 0.075 25449 9032 1 18 . 1 1 69 69 MET H H 69 8.310 8.310 7.922 0.388 25449 9033 1 18 . 1 1 70 70 ASN N N 70 117.700 117.700 118.894 -1.194 25449 9034 1 18 . 1 1 70 70 ASN HA H 70 4.370 4.370 4.594 -0.224 25449 9035 1 18 . 1 1 70 70 ASN C C 70 176.400 176.400 175.412 0.988 25449 9036 1 18 . 1 1 70 70 ASN CA C 70 56.100 56.100 55.371 0.729 25449 9037 1 18 . 1 1 70 70 ASN CB C 70 38.700 38.700 38.244 0.456 25449 9038 1 18 . 1 1 70 70 ASN H H 70 7.660 7.660 7.708 -0.048 25449 9039 1 18 . 1 1 71 71 ASN N N 71 121.500 121.500 117.292 4.208 25449 9040 1 18 . 1 1 71 71 ASN HA H 71 4.510 4.510 4.712 -0.202 25449 9041 1 18 . 1 1 71 71 ASN C C 71 173.300 173.300 174.260 -0.960 25449 9042 1 18 . 1 1 71 71 ASN CA C 71 55.800 55.800 52.581 3.220 25449 9043 1 18 . 1 1 71 71 ASN CB C 71 38.200 38.200 38.290 -0.090 25449 9044 1 18 . 1 1 71 71 ASN H H 71 8.600 8.600 8.130 0.470 25449 9045 1 18 . 1 1 72 72 PHE N N 72 122.300 122.300 121.864 0.436 25449 9046 1 18 . 1 1 72 72 PHE HA H 72 4.190 4.190 4.568 -0.378 25449 9047 1 18 . 1 1 72 72 PHE C C 72 174.100 174.100 173.831 0.269 25449 9048 1 18 . 1 1 72 72 PHE CA C 72 58.700 58.700 57.085 1.615 25449 9049 1 18 . 1 1 72 72 PHE CB C 72 41.300 41.300 41.068 0.232 25449 9050 1 18 . 1 1 72 72 PHE H H 72 7.870 7.870 7.506 0.364 25449 9051 1 18 . 1 1 73 73 GLU N N 73 126.100 126.100 128.550 -2.450 25449 9052 1 18 . 1 1 73 73 GLU HA H 73 4.230 4.230 4.614 -0.384 25449 9053 1 18 . 1 1 73 73 GLU C C 73 173.000 173.000 174.442 -1.442 25449 9054 1 18 . 1 1 73 73 GLU CA C 73 55.600 55.600 54.520 1.080 25449 9055 1 18 . 1 1 73 73 GLU CB C 73 30.300 30.300 31.782 -1.482 25449 9056 1 18 . 1 1 73 73 GLU H H 73 7.690 7.690 8.115 -0.425 25449 9057 1 18 . 1 1 74 74 LEU N N 74 128.900 128.900 126.536 2.364 25449 9058 1 18 . 1 1 74 74 LEU HA H 74 4.520 4.520 4.275 0.245 25449 9059 1 18 . 1 1 74 74 LEU C C 74 175.500 175.500 176.303 -0.803 25449 9060 1 18 . 1 1 74 74 LEU CA C 74 53.300 53.300 54.370 -1.070 25449 9061 1 18 . 1 1 74 74 LEU CB C 74 44.600 44.600 42.777 1.823 25449 9062 1 18 . 1 1 74 74 LEU H H 74 8.620 8.620 8.007 0.613 25449 9063 1 18 . 1 1 75 75 ASN N N 75 126.800 126.800 121.694 5.106 25449 9064 1 18 . 1 1 75 75 ASN HA H 75 4.210 4.210 4.456 -0.246 25449 9065 1 18 . 1 1 75 75 ASN C C 75 175.600 175.600 175.779 -0.179 25449 9066 1 18 . 1 1 75 75 ASN CA C 75 53.900 53.900 53.778 0.122 25449 9067 1 18 . 1 1 75 75 ASN CB C 75 36.900 36.900 36.778 0.122 25449 9068 1 18 . 1 1 75 75 ASN H H 75 9.520 9.520 9.096 0.424 25449 9069 1 18 . 1 1 76 76 GLY N N 76 102.300 102.300 101.683 0.617 25449 9070 1 18 . 1 1 76 76 GLY C C 76 173.600 173.600 173.571 0.029 25449 9071 1 18 . 1 1 76 76 GLY CA C 76 45.300 45.300 45.545 -0.245 25449 9072 1 18 . 1 1 76 76 GLY H H 76 8.500 8.500 8.659 -0.159 25449 9073 1 18 . 1 1 77 77 LYS N N 77 120.800 120.800 118.164 2.636 25449 9074 1 18 . 1 1 77 77 LYS HA H 77 4.570 4.570 4.451 0.119 25449 9075 1 18 . 1 1 77 77 LYS C C 77 175.100 175.100 174.294 0.806 25449 9076 1 18 . 1 1 77 77 LYS CA C 77 54.200 54.200 54.670 -0.470 25449 9077 1 18 . 1 1 77 77 LYS CB C 77 34.500 34.500 35.282 -0.782 25449 9078 1 18 . 1 1 77 77 LYS H H 77 7.580 7.580 7.240 0.340 25449 9079 1 18 . 1 1 78 78 ARG N N 78 123.300 123.300 124.419 -1.119 25449 9080 1 18 . 1 1 78 78 ARG HA H 78 4.480 4.480 4.426 0.054 25449 9081 1 18 . 1 1 78 78 ARG C C 78 176.600 176.600 175.920 0.680 25449 9082 1 18 . 1 1 78 78 ARG CA C 78 55.300 55.300 55.108 0.192 25449 9083 1 18 . 1 1 78 78 ARG CB C 78 30.300 30.300 31.115 -0.815 25449 9084 1 18 . 1 1 78 78 ARG H H 78 8.580 8.580 8.348 0.232 25449 9085 1 18 . 1 1 79 79 ILE N N 79 120.100 120.100 123.305 -3.205 25449 9086 1 18 . 1 1 79 79 ILE HA H 79 4.700 4.700 4.348 0.352 25449 9087 1 18 . 1 1 79 79 ILE C C 79 175.200 175.200 175.050 0.150 25449 9088 1 18 . 1 1 79 79 ILE CA C 79 60.000 60.000 60.251 -0.251 25449 9089 1 18 . 1 1 79 79 ILE CB C 79 39.400 39.400 38.941 0.459 25449 9090 1 18 . 1 1 79 79 ILE H H 79 8.450 8.450 8.301 0.149 25449 9091 1 18 . 1 1 80 80 HIS N N 80 119.900 119.900 125.146 -5.246 25449 9092 1 18 . 1 1 80 80 HIS HA H 80 5.190 5.190 4.595 0.595 25449 9093 1 18 . 1 1 80 80 HIS C C 80 173.600 173.600 174.697 -1.097 25449 9094 1 18 . 1 1 80 80 HIS CA C 80 53.800 53.800 55.671 -1.871 25449 9095 1 18 . 1 1 80 80 HIS CB C 80 31.300 31.300 30.170 1.130 25449 9096 1 18 . 1 1 80 80 HIS H H 80 8.580 8.580 8.510 0.070 25449 9097 1 18 . 1 1 81 81 VAL N N 81 123.800 123.800 126.058 -2.258 25449 9098 1 18 . 1 1 81 81 VAL HA H 81 5.280 5.280 4.348 0.932 25449 9099 1 18 . 1 1 81 81 VAL C C 81 173.600 173.600 174.942 -1.342 25449 9100 1 18 . 1 1 81 81 VAL CA C 81 60.200 60.200 61.459 -1.259 25449 9101 1 18 . 1 1 81 81 VAL CB C 81 35.000 35.000 32.381 2.619 25449 9102 1 18 . 1 1 81 81 VAL H H 81 8.650 8.650 8.367 0.283 25449 9103 1 18 . 1 1 82 82 ASN N N 82 121.100 121.100 123.398 -2.298 25449 9104 1 18 . 1 1 82 82 ASN HA H 82 4.750 4.750 5.166 -0.416 25449 9105 1 18 . 1 1 82 82 ASN C C 82 174.000 174.000 173.500 0.500 25449 9106 1 18 . 1 1 82 82 ASN CA C 82 51.900 51.900 51.915 -0.015 25449 9107 1 18 . 1 1 82 82 ASN CB C 82 42.900 42.900 42.361 0.539 25449 9108 1 18 . 1 1 82 82 ASN H H 82 8.890 8.890 8.314 0.576 25449 9109 1 18 . 1 1 83 83 TYR N N 83 120.400 120.400 120.456 -0.056 25449 9110 1 18 . 1 1 83 83 TYR HA H 83 4.800 4.800 4.793 0.007 25449 9111 1 18 . 1 1 83 83 TYR C C 83 177.100 177.100 174.947 2.153 25449 9112 1 18 . 1 1 83 83 TYR CA C 83 59.400 59.400 58.320 1.080 25449 9113 1 18 . 1 1 83 83 TYR CB C 83 38.700 38.700 39.776 -1.076 25449 9114 1 18 . 1 1 83 83 TYR H H 83 8.480 8.480 8.654 -0.174 25449 9115 1 18 . 1 1 84 84 SER N N 84 118.000 118.000 115.858 2.142 25449 9116 1 18 . 1 1 84 84 SER HA H 84 4.520 4.520 4.561 -0.041 25449 9117 1 18 . 1 1 84 84 SER C C 84 174.100 174.100 172.131 1.969 25449 9118 1 18 . 1 1 84 84 SER CA C 84 57.700 57.700 56.541 1.159 25449 9119 1 18 . 1 1 84 84 SER CB C 84 64.300 64.300 65.518 -1.218 25449 9120 1 18 . 1 1 84 84 SER H H 84 9.040 9.040 7.135 1.905 25449 9121 1 18 . 1 1 85 85 LYS N N 85 125.300 125.300 120.308 4.992 25449 9122 1 18 . 1 1 85 85 LYS HA H 85 4.440 4.440 4.383 0.057 25449 9123 1 18 . 1 1 85 85 LYS C C 85 175.600 175.600 175.238 0.362 25449 9124 1 18 . 1 1 85 85 LYS CA C 85 56.300 56.300 55.803 0.497 25449 9125 1 18 . 1 1 85 85 LYS CB C 85 33.700 33.700 32.654 1.046 25449 9126 1 18 . 1 1 85 85 LYS H H 85 8.410 8.410 8.170 0.240 25449 9127 1 19 . 1 1 -1 -1 SER N N -1 115.600 115.600 115.591 0.009 25449 9128 1 19 . 1 1 -1 -1 SER HA H -1 4.410 4.410 4.467 -0.057 25449 9129 1 19 . 1 1 -1 -1 SER C C -1 172.000 172.000 173.543 -1.543 25449 9130 1 19 . 1 1 -1 -1 SER CA C -1 58.200 58.200 57.731 0.469 25449 9131 1 19 . 1 1 -1 -1 SER CB C -1 63.900 63.900 65.466 -1.566 25449 9132 1 19 . 1 1 -1 -1 SER H H -1 8.670 8.670 8.372 0.298 25449 9133 1 19 . 1 1 0 0 HIS N N 0 121.200 121.200 118.792 2.408 25449 9134 1 19 . 1 1 0 0 HIS HA H 0 4.590 4.590 4.352 0.238 25449 9135 1 19 . 1 1 0 0 HIS C C 0 174.800 174.800 173.987 0.813 25449 9136 1 19 . 1 1 0 0 HIS CA C 0 56.100 56.100 56.571 -0.471 25449 9137 1 19 . 1 1 0 0 HIS CB C 0 29.900 29.900 29.400 0.500 25449 9138 1 19 . 1 1 0 0 HIS H H 0 8.730 8.730 8.531 0.199 25449 9139 1 19 . 1 1 1 1 MET N N 1 121.800 121.800 121.308 0.492 25449 9140 1 19 . 1 1 1 1 MET HA H 1 4.370 4.370 4.624 -0.254 25449 9141 1 19 . 1 1 1 1 MET C C 1 176.300 176.300 176.802 -0.502 25449 9142 1 19 . 1 1 1 1 MET CA C 1 55.700 55.700 55.745 -0.045 25449 9143 1 19 . 1 1 1 1 MET CB C 1 32.800 32.800 33.824 -1.024 25449 9144 1 19 . 1 1 1 1 MET H H 1 8.450 8.450 8.253 0.197 25449 9145 1 19 . 1 1 2 2 SER N N 2 116.700 116.700 115.429 1.271 25449 9146 1 19 . 1 1 2 2 SER HA H 2 4.370 4.370 4.662 -0.292 25449 9147 1 19 . 1 1 2 2 SER C C 2 174.200 174.200 173.739 0.461 25449 9148 1 19 . 1 1 2 2 SER CA C 2 58.400 58.400 58.367 0.033 25449 9149 1 19 . 1 1 2 2 SER CB C 2 63.800 63.800 63.529 0.271 25449 9150 1 19 . 1 1 2 2 SER H H 2 8.410 8.410 8.022 0.388 25449 9151 1 19 . 1 1 3 3 ASP N N 3 122.100 122.100 125.945 -3.845 25449 9152 1 19 . 1 1 3 3 ASP HA H 3 4.550 4.550 4.786 -0.236 25449 9153 1 19 . 1 1 3 3 ASP C C 3 176.100 176.100 175.062 1.038 25449 9154 1 19 . 1 1 3 3 ASP CA C 3 54.500 54.500 54.171 0.329 25449 9155 1 19 . 1 1 3 3 ASP CB C 3 41.200 41.200 41.318 -0.118 25449 9156 1 19 . 1 1 3 3 ASP H H 3 8.340 8.340 8.964 -0.624 25449 9157 1 19 . 1 1 4 4 ASN N N 4 119.100 119.100 115.175 3.925 25449 9158 1 19 . 1 1 4 4 ASN HA H 4 4.580 4.580 4.707 -0.127 25449 9159 1 19 . 1 1 4 4 ASN C C 4 174.900 174.900 173.983 0.917 25449 9160 1 19 . 1 1 4 4 ASN CA C 4 53.700 53.700 52.829 0.871 25449 9161 1 19 . 1 1 4 4 ASN CB C 4 38.900 38.900 39.085 -0.185 25449 9162 1 19 . 1 1 4 4 ASN H H 4 8.420 8.420 7.725 0.695 25449 9163 1 19 . 1 1 5 5 ASN N N 5 118.400 118.400 116.524 1.876 25449 9164 1 19 . 1 1 5 5 ASN HA H 5 4.540 4.540 4.683 -0.143 25449 9165 1 19 . 1 1 5 5 ASN C C 5 173.900 173.900 174.780 -0.880 25449 9166 1 19 . 1 1 5 5 ASN CA C 5 53.200 53.200 52.670 0.530 25449 9167 1 19 . 1 1 5 5 ASN CB C 5 38.700 38.700 38.749 -0.049 25449 9168 1 19 . 1 1 5 5 ASN H H 5 8.340 8.340 8.436 -0.096 25449 9169 1 19 . 1 1 6 6 ALA N N 6 122.100 122.100 120.703 1.397 25449 9170 1 19 . 1 1 6 6 ALA HA H 6 2.740 2.740 3.817 -1.077 25449 9171 1 19 . 1 1 6 6 ALA C C 6 177.000 177.000 176.520 0.480 25449 9172 1 19 . 1 1 6 6 ALA CA C 6 52.300 52.300 52.462 -0.162 25449 9173 1 19 . 1 1 6 6 ALA CB C 6 20.000 20.000 18.639 1.361 25449 9174 1 19 . 1 1 6 6 ALA H H 6 7.590 7.590 7.571 0.019 25449 9175 1 19 . 1 1 7 7 THR N N 7 112.700 112.700 116.506 -3.806 25449 9176 1 19 . 1 1 7 7 THR HA H 7 4.390 4.390 4.344 0.046 25449 9177 1 19 . 1 1 7 7 THR C C 7 171.700 171.700 175.268 -3.568 25449 9178 1 19 . 1 1 7 7 THR CA C 7 59.800 59.800 61.178 -1.378 25449 9179 1 19 . 1 1 7 7 THR CB C 7 70.600 70.600 70.076 0.524 25449 9180 1 19 . 1 1 7 7 THR H H 7 6.840 6.840 7.825 -0.985 25449 9181 1 19 . 1 1 8 8 ASP N N 8 114.600 114.600 122.533 -7.933 25449 9182 1 19 . 1 1 8 8 ASP HA H 8 4.490 4.490 4.259 0.231 25449 9183 1 19 . 1 1 8 8 ASP C C 8 174.300 174.300 174.410 -0.110 25449 9184 1 19 . 1 1 8 8 ASP CA C 8 53.500 53.500 55.759 -2.259 25449 9185 1 19 . 1 1 8 8 ASP CB C 8 39.800 39.800 39.982 -0.182 25449 9186 1 19 . 1 1 8 8 ASP H H 8 8.170 8.170 8.751 -0.581 25449 9187 1 19 . 1 1 9 9 ILE N N 9 117.800 117.800 118.260 -0.460 25449 9188 1 19 . 1 1 9 9 ILE HA H 9 4.810 4.810 4.299 0.511 25449 9189 1 19 . 1 1 9 9 ILE C C 9 174.700 174.700 174.143 0.557 25449 9190 1 19 . 1 1 9 9 ILE CA C 9 60.600 60.600 60.585 0.015 25449 9191 1 19 . 1 1 9 9 ILE CB C 9 40.300 40.300 40.212 0.088 25449 9192 1 19 . 1 1 9 9 ILE H H 9 7.890 7.890 7.438 0.452 25449 9193 1 19 . 1 1 10 10 LEU N N 10 125.300 125.300 127.249 -1.949 25449 9194 1 19 . 1 1 10 10 LEU HA H 10 4.960 4.960 4.896 0.064 25449 9195 1 19 . 1 1 10 10 LEU C C 10 176.100 176.100 175.315 0.785 25449 9196 1 19 . 1 1 10 10 LEU CA C 10 52.900 52.900 54.160 -1.260 25449 9197 1 19 . 1 1 10 10 LEU CB C 10 43.100 43.100 44.477 -1.377 25449 9198 1 19 . 1 1 10 10 LEU H H 10 9.370 9.370 8.294 1.076 25449 9199 1 19 . 1 1 11 11 PHE N N 11 124.300 124.300 127.042 -2.742 25449 9200 1 19 . 1 1 11 11 PHE HA H 11 4.670 4.670 4.839 -0.169 25449 9201 1 19 . 1 1 11 11 PHE C C 11 173.400 173.400 174.257 -0.857 25449 9202 1 19 . 1 1 11 11 PHE CA C 11 57.000 57.000 58.007 -1.006 25449 9203 1 19 . 1 1 11 11 PHE CB C 11 40.700 40.700 40.779 -0.079 25449 9204 1 19 . 1 1 11 11 PHE H H 11 9.310 9.310 8.717 0.593 25449 9205 1 19 . 1 1 12 12 VAL N N 12 128.300 128.300 125.421 2.879 25449 9206 1 19 . 1 1 12 12 VAL HA H 12 4.420 4.420 4.220 0.200 25449 9207 1 19 . 1 1 12 12 VAL C C 12 173.900 173.900 174.392 -0.492 25449 9208 1 19 . 1 1 12 12 VAL CA C 12 60.200 60.200 60.087 0.113 25449 9209 1 19 . 1 1 12 12 VAL CB C 12 33.100 33.100 35.739 -2.639 25449 9210 1 19 . 1 1 12 12 VAL H H 12 8.380 8.380 7.734 0.646 25449 9211 1 19 . 1 1 13 13 GLY N N 13 111.800 111.800 110.377 1.423 25449 9212 1 19 . 1 1 13 13 GLY C C 13 173.800 173.800 173.833 -0.033 25449 9213 1 19 . 1 1 13 13 GLY CA C 13 43.400 43.400 43.600 -0.200 25449 9214 1 19 . 1 1 13 13 GLY H H 13 9.150 9.150 8.416 0.734 25449 9215 1 19 . 1 1 14 14 GLY N N 14 107.600 107.600 107.166 0.434 25449 9216 1 19 . 1 1 14 14 GLY C C 14 175.400 175.400 173.641 1.759 25449 9217 1 19 . 1 1 14 14 GLY CA C 14 45.800 45.800 45.063 0.737 25449 9218 1 19 . 1 1 14 14 GLY H H 14 8.260 8.260 8.411 -0.151 25449 9219 1 19 . 1 1 15 15 ILE N N 15 111.100 111.100 122.004 -10.904 25449 9220 1 19 . 1 1 15 15 ILE HA H 15 4.040 4.040 4.196 -0.156 25449 9221 1 19 . 1 1 15 15 ILE C C 15 175.500 175.500 175.124 0.376 25449 9222 1 19 . 1 1 15 15 ILE CA C 15 60.500 60.500 58.981 1.519 25449 9223 1 19 . 1 1 15 15 ILE CB C 15 38.500 38.500 40.495 -1.995 25449 9224 1 19 . 1 1 15 15 ILE H H 15 6.930 6.930 7.906 -0.976 25449 9225 1 19 . 1 1 16 16 ASP N N 16 122.800 122.800 122.148 0.652 25449 9226 1 19 . 1 1 16 16 ASP HA H 16 4.580 4.580 4.466 0.114 25449 9227 1 19 . 1 1 16 16 ASP C C 16 177.200 177.200 176.849 0.351 25449 9228 1 19 . 1 1 16 16 ASP CA C 16 53.700 53.700 54.505 -0.805 25449 9229 1 19 . 1 1 16 16 ASP CB C 16 42.500 42.500 42.542 -0.042 25449 9230 1 19 . 1 1 16 16 ASP H H 16 8.320 8.320 8.720 -0.400 25449 9231 1 19 . 1 1 17 17 GLU N N 17 119.600 119.600 120.065 -0.465 25449 9232 1 19 . 1 1 17 17 GLU HA H 17 4.140 4.140 4.190 -0.050 25449 9233 1 19 . 1 1 17 17 GLU C C 17 176.800 176.800 176.301 0.499 25449 9234 1 19 . 1 1 17 17 GLU CA C 17 58.600 58.600 56.919 1.681 25449 9235 1 19 . 1 1 17 17 GLU CB C 17 29.800 29.800 28.725 1.075 25449 9236 1 19 . 1 1 17 17 GLU H H 17 8.830 8.830 8.789 0.041 25449 9237 1 19 . 1 1 18 18 THR N N 18 111.300 111.300 114.973 -3.673 25449 9238 1 19 . 1 1 18 18 THR HA H 18 4.250 4.250 4.591 -0.341 25449 9239 1 19 . 1 1 18 18 THR C C 18 175.200 175.200 174.121 1.079 25449 9240 1 19 . 1 1 18 18 THR CA C 18 62.600 62.600 61.798 0.802 25449 9241 1 19 . 1 1 18 18 THR CB C 18 69.600 69.600 69.570 0.030 25449 9242 1 19 . 1 1 18 18 THR H H 18 8.740 8.740 7.804 0.936 25449 9243 1 19 . 1 1 19 19 ILE N N 19 123.300 123.300 118.059 5.241 25449 9244 1 19 . 1 1 19 19 ILE HA H 19 3.880 3.880 4.397 -0.517 25449 9245 1 19 . 1 1 19 19 ILE C C 19 174.300 174.300 174.485 -0.185 25449 9246 1 19 . 1 1 19 19 ILE CA C 19 59.900 59.900 58.938 0.963 25449 9247 1 19 . 1 1 19 19 ILE CB C 19 35.600 35.600 39.029 -3.429 25449 9248 1 19 . 1 1 19 19 ILE H H 19 7.220 7.220 7.440 -0.220 25449 9249 1 19 . 1 1 20 20 ASP N N 20 125.600 125.600 122.342 3.258 25449 9250 1 19 . 1 1 20 20 ASP HA H 20 4.640 4.640 4.787 -0.147 25449 9251 1 19 . 1 1 20 20 ASP C C 20 175.300 175.300 176.260 -0.960 25449 9252 1 19 . 1 1 20 20 ASP CA C 20 51.500 51.500 52.661 -1.161 25449 9253 1 19 . 1 1 20 20 ASP CB C 20 43.000 43.000 43.701 -0.701 25449 9254 1 19 . 1 1 20 20 ASP H H 20 7.790 7.790 7.964 -0.174 25449 9255 1 19 . 1 1 21 21 GLU N N 21 118.400 118.400 121.689 -3.289 25449 9256 1 19 . 1 1 21 21 GLU HA H 21 3.630 3.630 3.916 -0.286 25449 9257 1 19 . 1 1 21 21 GLU C C 21 177.900 177.900 178.266 -0.366 25449 9258 1 19 . 1 1 21 21 GLU CA C 21 60.900 60.900 60.265 0.635 25449 9259 1 19 . 1 1 21 21 GLU CB C 21 29.200 29.200 29.829 -0.629 25449 9260 1 19 . 1 1 21 21 GLU H H 21 9.220 9.220 8.958 0.262 25449 9261 1 19 . 1 1 22 22 LYS N N 22 119.700 119.700 117.425 2.275 25449 9262 1 19 . 1 1 22 22 LYS HA H 22 4.060 4.060 4.196 -0.136 25449 9263 1 19 . 1 1 22 22 LYS C C 22 178.500 178.500 178.936 -0.436 25449 9264 1 19 . 1 1 22 22 LYS CA C 22 59.300 59.300 58.772 0.528 25449 9265 1 19 . 1 1 22 22 LYS CB C 22 31.800 31.800 31.669 0.131 25449 9266 1 19 . 1 1 22 22 LYS H H 22 8.040 8.040 8.435 -0.395 25449 9267 1 19 . 1 1 23 23 SER N N 23 114.900 114.900 115.960 -1.060 25449 9268 1 19 . 1 1 23 23 SER HA H 23 4.300 4.300 4.296 0.004 25449 9269 1 19 . 1 1 23 23 SER C C 23 177.600 177.600 176.267 1.333 25449 9270 1 19 . 1 1 23 23 SER CA C 23 61.800 61.800 61.023 0.777 25449 9271 1 19 . 1 1 23 23 SER CB C 23 62.900 62.900 62.796 0.104 25449 9272 1 19 . 1 1 23 23 SER H H 23 8.240 8.240 8.161 0.079 25449 9273 1 19 . 1 1 24 24 LEU N N 24 118.800 118.800 121.670 -2.870 25449 9274 1 19 . 1 1 24 24 LEU HA H 24 4.180 4.180 4.255 -0.075 25449 9275 1 19 . 1 1 24 24 LEU C C 24 178.700 178.700 178.850 -0.150 25449 9276 1 19 . 1 1 24 24 LEU CA C 24 57.300 57.300 56.779 0.521 25449 9277 1 19 . 1 1 24 24 LEU CB C 24 42.100 42.100 41.407 0.693 25449 9278 1 19 . 1 1 24 24 LEU H H 24 7.750 7.750 7.605 0.145 25449 9279 1 19 . 1 1 25 25 TYR N N 25 123.200 123.200 120.928 2.272 25449 9280 1 19 . 1 1 25 25 TYR HA H 25 3.630 3.630 4.056 -0.426 25449 9281 1 19 . 1 1 25 25 TYR C C 25 178.600 178.600 177.135 1.465 25449 9282 1 19 . 1 1 25 25 TYR CA C 25 63.200 63.200 61.087 2.113 25449 9283 1 19 . 1 1 25 25 TYR CB C 25 38.200 38.200 38.455 -0.255 25449 9284 1 19 . 1 1 25 25 TYR H H 25 8.970 8.970 7.512 1.458 25449 9285 1 19 . 1 1 26 26 ASP N N 26 119.800 119.800 119.818 -0.018 25449 9286 1 19 . 1 1 26 26 ASP HA H 26 4.270 4.270 4.399 -0.129 25449 9287 1 19 . 1 1 26 26 ASP C C 26 177.900 177.900 179.077 -1.177 25449 9288 1 19 . 1 1 26 26 ASP CA C 26 57.700 57.700 57.415 0.285 25449 9289 1 19 . 1 1 26 26 ASP CB C 26 40.000 40.000 41.137 -1.137 25449 9290 1 19 . 1 1 26 26 ASP H H 26 8.510 8.510 7.697 0.813 25449 9291 1 19 . 1 1 27 27 ILE N N 27 114.700 114.700 118.866 -4.166 25449 9292 1 19 . 1 1 27 27 ILE HA H 27 3.960 3.960 3.861 0.099 25449 9293 1 19 . 1 1 27 27 ILE C C 27 177.700 177.700 178.060 -0.360 25449 9294 1 19 . 1 1 27 27 ILE CA C 27 63.300 63.300 64.485 -1.185 25449 9295 1 19 . 1 1 27 27 ILE CB C 27 39.000 39.000 38.230 0.770 25449 9296 1 19 . 1 1 27 27 ILE H H 27 7.320 7.320 7.622 -0.302 25449 9297 1 19 . 1 1 28 28 PHE N N 28 116.900 116.900 115.275 1.625 25449 9298 1 19 . 1 1 28 28 PHE HA H 28 4.370 4.370 4.612 -0.242 25449 9299 1 19 . 1 1 28 28 PHE C C 28 179.900 179.900 176.439 3.461 25449 9300 1 19 . 1 1 28 28 PHE CA C 28 62.300 62.300 58.560 3.740 25449 9301 1 19 . 1 1 28 28 PHE CB C 28 37.300 37.300 39.430 -2.130 25449 9302 1 19 . 1 1 28 28 PHE H H 28 8.650 8.650 7.948 0.702 25449 9303 1 19 . 1 1 29 29 SER N N 29 120.100 120.100 114.010 6.090 25449 9304 1 19 . 1 1 29 29 SER HA H 29 4.410 4.410 4.791 -0.381 25449 9305 1 19 . 1 1 29 29 SER C C 29 175.600 175.600 175.695 -0.095 25449 9306 1 19 . 1 1 29 29 SER CA C 29 61.300 61.300 59.551 1.749 25449 9307 1 19 . 1 1 29 29 SER CB C 29 62.200 62.200 63.048 -0.848 25449 9308 1 19 . 1 1 29 29 SER H H 29 8.880 8.880 7.784 1.096 25449 9309 1 19 . 1 1 30 30 SER N N 30 116.200 116.200 117.142 -0.942 25449 9310 1 19 . 1 1 30 30 SER HA H 30 3.940 3.940 4.364 -0.424 25449 9311 1 19 . 1 1 30 30 SER C C 30 174.900 174.900 175.714 -0.814 25449 9312 1 19 . 1 1 30 30 SER CA C 30 60.400 60.400 60.730 -0.330 25449 9313 1 19 . 1 1 30 30 SER CB C 30 62.400 62.400 63.151 -0.751 25449 9314 1 19 . 1 1 30 30 SER H H 30 7.270 7.270 7.904 -0.634 25449 9315 1 19 . 1 1 31 31 PHE N N 31 115.600 115.600 121.129 -5.529 25449 9316 1 19 . 1 1 31 31 PHE HA H 31 4.280 4.280 4.623 -0.343 25449 9317 1 19 . 1 1 31 31 PHE C C 31 174.100 174.100 176.433 -2.333 25449 9318 1 19 . 1 1 31 31 PHE CA C 31 58.900 58.900 58.920 -0.020 25449 9319 1 19 . 1 1 31 31 PHE CB C 31 39.300 39.300 40.326 -1.026 25449 9320 1 19 . 1 1 31 31 PHE H H 31 6.980 6.980 7.761 -0.781 25449 9321 1 19 . 1 1 32 32 GLY N N 32 104.900 104.900 107.696 -2.796 25449 9322 1 19 . 1 1 32 32 GLY C C 32 171.600 171.600 172.843 -1.243 25449 9323 1 19 . 1 1 32 32 GLY CA C 32 44.300 44.300 44.409 -0.109 25449 9324 1 19 . 1 1 32 32 GLY H H 32 7.300 7.300 7.724 -0.424 25449 9325 1 19 . 1 1 33 33 ASP N N 33 116.100 116.100 127.104 -11.004 25449 9326 1 19 . 1 1 33 33 ASP HA H 33 4.510 4.510 4.563 -0.053 25449 9327 1 19 . 1 1 33 33 ASP C C 33 176.800 176.800 174.744 2.056 25449 9328 1 19 . 1 1 33 33 ASP CA C 33 55.400 55.400 54.936 0.464 25449 9329 1 19 . 1 1 33 33 ASP CB C 33 40.600 40.600 41.880 -1.280 25449 9330 1 19 . 1 1 33 33 ASP H H 33 8.120 8.120 8.452 -0.332 25449 9331 1 19 . 1 1 34 34 ILE N N 34 126.400 126.400 119.434 6.966 25449 9332 1 19 . 1 1 34 34 ILE HA H 34 3.850 3.850 4.157 -0.307 25449 9333 1 19 . 1 1 34 34 ILE C C 34 176.200 176.200 176.466 -0.266 25449 9334 1 19 . 1 1 34 34 ILE CA C 34 60.200 60.200 58.148 2.052 25449 9335 1 19 . 1 1 34 34 ILE CB C 34 39.900 39.900 39.364 0.536 25449 9336 1 19 . 1 1 34 34 ILE H H 34 8.670 8.670 8.164 0.506 25449 9337 1 19 . 1 1 35 35 ARG N N 35 128.900 128.900 125.120 3.780 25449 9338 1 19 . 1 1 35 35 ARG HA H 35 4.160 4.160 4.216 -0.056 25449 9339 1 19 . 1 1 35 35 ARG C C 35 175.600 175.600 176.212 -0.612 25449 9340 1 19 . 1 1 35 35 ARG CA C 35 57.500 57.500 58.028 -0.528 25449 9341 1 19 . 1 1 35 35 ARG CB C 35 31.700 31.700 31.071 0.629 25449 9342 1 19 . 1 1 35 35 ARG H H 35 9.320 9.320 8.315 1.005 25449 9343 1 19 . 1 1 36 36 ASN N N 36 114.300 114.300 115.162 -0.862 25449 9344 1 19 . 1 1 36 36 ASN HA H 36 4.710 4.710 4.804 -0.094 25449 9345 1 19 . 1 1 36 36 ASN C C 36 172.000 172.000 172.895 -0.895 25449 9346 1 19 . 1 1 36 36 ASN CA C 36 53.500 53.500 53.517 -0.017 25449 9347 1 19 . 1 1 36 36 ASN CB C 36 42.600 42.600 40.755 1.845 25449 9348 1 19 . 1 1 36 36 ASN H H 36 7.620 7.620 8.240 -0.620 25449 9349 1 19 . 1 1 37 37 ILE N N 37 122.700 122.700 123.611 -0.911 25449 9350 1 19 . 1 1 37 37 ILE HA H 37 4.770 4.770 4.513 0.257 25449 9351 1 19 . 1 1 37 37 ILE C C 37 173.300 173.300 174.805 -1.505 25449 9352 1 19 . 1 1 37 37 ILE CA C 37 60.600 60.600 60.765 -0.165 25449 9353 1 19 . 1 1 37 37 ILE CB C 37 41.200 41.200 39.939 1.261 25449 9354 1 19 . 1 1 37 37 ILE H H 37 8.030 8.030 8.472 -0.442 25449 9355 1 19 . 1 1 38 38 GLU N N 38 126.700 126.700 128.608 -1.908 25449 9356 1 19 . 1 1 38 38 GLU HA H 38 4.660 4.660 4.642 0.018 25449 9357 1 19 . 1 1 38 38 GLU C C 38 174.800 174.800 174.157 0.643 25449 9358 1 19 . 1 1 38 38 GLU CA C 38 54.400 54.400 55.462 -1.062 25449 9359 1 19 . 1 1 38 38 GLU CB C 38 33.400 33.400 31.212 2.188 25449 9360 1 19 . 1 1 38 38 GLU H H 38 8.870 8.870 8.586 0.284 25449 9361 1 19 . 1 1 39 39 VAL N N 39 126.400 126.400 127.203 -0.803 25449 9362 1 19 . 1 1 39 39 VAL CA C 39 58.700 58.700 59.040 -0.340 25449 9363 1 19 . 1 1 39 39 VAL CB C 39 32.600 32.600 33.302 -0.702 25449 9364 1 19 . 1 1 39 39 VAL H H 39 8.970 8.970 8.424 0.546 25449 9365 1 19 . 1 1 40 40 PRO HA H 40 4.230 4.230 4.326 -0.096 25449 9366 1 19 . 1 1 40 40 PRO C C 40 176.300 176.300 175.289 1.011 25449 9367 1 19 . 1 1 40 40 PRO CA C 40 63.300 63.300 63.068 0.232 25449 9368 1 19 . 1 1 40 40 PRO CB C 40 32.500 32.500 31.862 0.638 25449 9369 1 19 . 1 1 41 41 LEU N N 41 120.700 120.700 125.177 -4.477 25449 9370 1 19 . 1 1 41 41 LEU HA H 41 4.520 4.520 4.579 -0.059 25449 9371 1 19 . 1 1 41 41 LEU C C 41 177.900 177.900 176.078 1.822 25449 9372 1 19 . 1 1 41 41 LEU CA C 41 53.100 53.100 52.585 0.515 25449 9373 1 19 . 1 1 41 41 LEU CB C 41 44.300 44.300 43.649 0.651 25449 9374 1 19 . 1 1 41 41 LEU H H 41 8.520 8.520 8.266 0.254 25449 9375 1 19 . 1 1 42 42 ASN N N 42 121.400 121.400 123.356 -1.956 25449 9376 1 19 . 1 1 42 42 ASN HA H 42 4.560 4.560 4.770 -0.210 25449 9377 1 19 . 1 1 42 42 ASN C C 42 176.700 176.700 176.234 0.466 25449 9378 1 19 . 1 1 42 42 ASN CA C 42 52.900 52.900 52.957 -0.057 25449 9379 1 19 . 1 1 42 42 ASN CB C 42 39.000 39.000 40.036 -1.036 25449 9380 1 19 . 1 1 42 42 ASN H H 42 8.740 8.740 8.227 0.513 25449 9381 1 19 . 1 1 43 43 MET N N 43 125.500 125.500 124.935 0.565 25449 9382 1 19 . 1 1 43 43 MET HA H 43 4.210 4.210 4.432 -0.222 25449 9383 1 19 . 1 1 43 43 MET C C 43 177.200 177.200 177.019 0.181 25449 9384 1 19 . 1 1 43 43 MET CA C 43 57.100 57.100 57.264 -0.164 25449 9385 1 19 . 1 1 43 43 MET CB C 43 31.600 31.600 32.274 -0.674 25449 9386 1 19 . 1 1 43 43 MET H H 43 9.080 9.080 8.983 0.097 25449 9387 1 19 . 1 1 44 44 THR N N 44 114.400 114.400 115.003 -0.603 25449 9388 1 19 . 1 1 44 44 THR HA H 44 4.160 4.160 4.307 -0.147 25449 9389 1 19 . 1 1 44 44 THR C C 44 175.900 175.900 176.102 -0.202 25449 9390 1 19 . 1 1 44 44 THR CA C 44 65.200 65.200 65.295 -0.095 25449 9391 1 19 . 1 1 44 44 THR CB C 44 68.700 68.700 69.213 -0.513 25449 9392 1 19 . 1 1 44 44 THR H H 44 8.590 8.590 8.060 0.530 25449 9393 1 19 . 1 1 45 45 THR N N 45 110.300 110.300 114.381 -4.081 25449 9394 1 19 . 1 1 45 45 THR HA H 45 4.160 4.160 4.422 -0.262 25449 9395 1 19 . 1 1 45 45 THR C C 45 175.500 175.500 172.953 2.547 25449 9396 1 19 . 1 1 45 45 THR CA C 45 62.000 62.000 61.382 0.618 25449 9397 1 19 . 1 1 45 45 THR CB C 45 70.000 70.000 69.473 0.527 25449 9398 1 19 . 1 1 45 45 THR H H 45 7.610 7.610 7.595 0.015 25449 9399 1 19 . 1 1 46 46 LYS N N 46 115.700 115.700 120.439 -4.739 25449 9400 1 19 . 1 1 46 46 LYS HA H 46 3.720 3.720 3.946 -0.226 25449 9401 1 19 . 1 1 46 46 LYS C C 46 174.600 174.600 173.974 0.626 25449 9402 1 19 . 1 1 46 46 LYS CA C 46 57.600 57.600 57.326 0.274 25449 9403 1 19 . 1 1 46 46 LYS CB C 46 28.900 28.900 30.552 -1.651 25449 9404 1 19 . 1 1 46 46 LYS H H 46 8.460 8.460 7.996 0.464 25449 9405 1 19 . 1 1 47 47 LYS N N 47 117.100 117.100 119.430 -2.330 25449 9406 1 19 . 1 1 47 47 LYS HA H 47 4.680 4.680 4.582 0.098 25449 9407 1 19 . 1 1 47 47 LYS C C 47 176.300 176.300 176.833 -0.533 25449 9408 1 19 . 1 1 47 47 LYS CA C 47 54.000 54.000 53.658 0.342 25449 9409 1 19 . 1 1 47 47 LYS CB C 47 35.100 35.100 34.495 0.605 25449 9410 1 19 . 1 1 47 47 LYS H H 47 7.610 7.610 7.587 0.023 25449 9411 1 19 . 1 1 48 48 ASN N N 48 117.700 117.700 120.671 -2.971 25449 9412 1 19 . 1 1 48 48 ASN HA H 48 4.700 4.700 4.858 -0.158 25449 9413 1 19 . 1 1 48 48 ASN C C 48 174.000 174.000 175.625 -1.625 25449 9414 1 19 . 1 1 48 48 ASN CA C 48 53.600 53.600 52.898 0.702 25449 9415 1 19 . 1 1 48 48 ASN CB C 48 37.700 37.700 38.970 -1.270 25449 9416 1 19 . 1 1 48 48 ASN H H 48 8.740 8.740 8.814 -0.074 25449 9417 1 19 . 1 1 49 49 ARG N N 49 116.800 116.800 116.060 0.740 25449 9418 1 19 . 1 1 49 49 ARG HA H 49 4.350 4.350 3.945 0.405 25449 9419 1 19 . 1 1 49 49 ARG C C 49 177.500 177.500 176.530 0.970 25449 9420 1 19 . 1 1 49 49 ARG CA C 49 55.600 55.600 56.520 -0.920 25449 9421 1 19 . 1 1 49 49 ARG CB C 49 31.600 31.600 27.095 4.505 25449 9422 1 19 . 1 1 49 49 ARG H H 49 8.530 8.530 8.351 0.179 25449 9423 1 19 . 1 1 50 50 GLY N N 50 108.300 108.300 106.407 1.893 25449 9424 1 19 . 1 1 50 50 GLY C C 50 173.500 173.500 173.277 0.223 25449 9425 1 19 . 1 1 50 50 GLY CA C 50 45.800 45.800 45.549 0.251 25449 9426 1 19 . 1 1 50 50 GLY H H 50 8.900 8.900 8.684 0.216 25449 9427 1 19 . 1 1 51 51 PHE N N 51 113.900 113.900 116.115 -2.215 25449 9428 1 19 . 1 1 51 51 PHE HA H 51 5.470 5.470 4.751 0.719 25449 9429 1 19 . 1 1 51 51 PHE C C 51 172.000 172.000 172.358 -0.358 25449 9430 1 19 . 1 1 51 51 PHE CA C 51 55.000 55.000 55.622 -0.622 25449 9431 1 19 . 1 1 51 51 PHE CB C 51 42.700 42.700 40.656 2.044 25449 9432 1 19 . 1 1 51 51 PHE H H 51 6.910 6.910 7.305 -0.395 25449 9433 1 19 . 1 1 52 52 ALA N N 52 120.500 120.500 124.305 -3.805 25449 9434 1 19 . 1 1 52 52 ALA HA H 52 4.630 4.630 4.318 0.312 25449 9435 1 19 . 1 1 52 52 ALA C C 52 173.900 173.900 174.490 -0.590 25449 9436 1 19 . 1 1 52 52 ALA CA C 52 50.200 50.200 50.543 -0.343 25449 9437 1 19 . 1 1 52 52 ALA CB C 52 25.100 25.100 22.449 2.651 25449 9438 1 19 . 1 1 52 52 ALA H H 52 8.810 8.810 7.932 0.878 25449 9439 1 19 . 1 1 53 53 PHE N N 53 115.000 115.000 119.165 -4.165 25449 9440 1 19 . 1 1 53 53 PHE HA H 53 5.660 5.660 4.875 0.785 25449 9441 1 19 . 1 1 53 53 PHE C C 53 175.600 175.600 174.820 0.780 25449 9442 1 19 . 1 1 53 53 PHE CA C 53 56.200 56.200 55.542 0.658 25449 9443 1 19 . 1 1 53 53 PHE CB C 53 42.400 42.400 41.656 0.744 25449 9444 1 19 . 1 1 53 53 PHE H H 53 8.730 8.730 8.156 0.574 25449 9445 1 19 . 1 1 54 54 VAL N N 54 122.300 122.300 121.438 0.862 25449 9446 1 19 . 1 1 54 54 VAL HA H 54 4.100 4.100 4.317 -0.217 25449 9447 1 19 . 1 1 54 54 VAL C C 54 173.000 173.000 174.028 -1.028 25449 9448 1 19 . 1 1 54 54 VAL CA C 54 61.700 61.700 61.506 0.194 25449 9449 1 19 . 1 1 54 54 VAL CB C 54 34.400 34.400 34.892 -0.492 25449 9450 1 19 . 1 1 54 54 VAL H H 54 9.060 9.060 8.508 0.552 25449 9451 1 19 . 1 1 55 55 GLU N N 55 127.300 127.300 128.250 -0.950 25449 9452 1 19 . 1 1 55 55 GLU HA H 55 5.160 5.160 4.711 0.449 25449 9453 1 19 . 1 1 55 55 GLU C C 55 175.900 175.900 175.540 0.360 25449 9454 1 19 . 1 1 55 55 GLU CA C 55 54.000 54.000 55.053 -1.053 25449 9455 1 19 . 1 1 55 55 GLU CB C 55 31.700 31.700 31.794 -0.094 25449 9456 1 19 . 1 1 55 55 GLU H H 55 8.860 8.860 8.306 0.554 25449 9457 1 19 . 1 1 56 56 TYR N N 56 127.500 127.500 124.749 2.751 25449 9458 1 19 . 1 1 56 56 TYR HA H 56 4.520 4.520 4.389 0.131 25449 9459 1 19 . 1 1 56 56 TYR C C 56 175.000 175.000 177.009 -2.009 25449 9460 1 19 . 1 1 56 56 TYR CA C 56 59.700 59.700 58.648 1.052 25449 9461 1 19 . 1 1 56 56 TYR CB C 56 40.200 40.200 39.237 0.963 25449 9462 1 19 . 1 1 56 56 TYR H H 56 9.470 9.470 9.012 0.458 25449 9463 1 19 . 1 1 57 57 VAL N N 57 119.200 119.200 120.825 -1.625 25449 9464 1 19 . 1 1 57 57 VAL HA H 57 3.570 3.570 3.885 -0.315 25449 9465 1 19 . 1 1 57 57 VAL C C 57 177.000 177.000 176.269 0.731 25449 9466 1 19 . 1 1 57 57 VAL CA C 57 66.300 66.300 65.045 1.255 25449 9467 1 19 . 1 1 57 57 VAL CB C 57 32.000 32.000 32.033 -0.033 25449 9468 1 19 . 1 1 57 57 VAL H H 57 7.800 7.800 7.933 -0.133 25449 9469 1 19 . 1 1 58 58 GLU N N 58 118.500 118.500 116.793 1.707 25449 9470 1 19 . 1 1 58 58 GLU HA H 58 4.780 4.780 4.636 0.144 25449 9471 1 19 . 1 1 58 58 GLU C C 58 177.500 177.500 177.324 0.176 25449 9472 1 19 . 1 1 58 58 GLU CA C 58 53.800 53.800 55.441 -1.641 25449 9473 1 19 . 1 1 58 58 GLU CB C 58 30.500 30.500 31.433 -0.933 25449 9474 1 19 . 1 1 58 58 GLU H H 58 9.530 9.530 8.081 1.449 25449 9475 1 19 . 1 1 59 59 VAL N N 59 125.200 125.200 122.642 2.558 25449 9476 1 19 . 1 1 59 59 VAL HA H 59 3.530 3.530 3.977 -0.447 25449 9477 1 19 . 1 1 59 59 VAL C C 59 177.600 177.600 176.696 0.904 25449 9478 1 19 . 1 1 59 59 VAL CA C 59 66.100 66.100 64.957 1.143 25449 9479 1 19 . 1 1 59 59 VAL CB C 59 31.700 31.700 32.698 -0.998 25449 9480 1 19 . 1 1 59 59 VAL H H 59 8.650 8.650 8.610 0.040 25449 9481 1 19 . 1 1 60 60 ASP N N 60 118.500 118.500 120.758 -2.258 25449 9482 1 19 . 1 1 60 60 ASP HA H 60 4.220 4.220 4.366 -0.146 25449 9483 1 19 . 1 1 60 60 ASP C C 60 178.300 178.300 177.467 0.833 25449 9484 1 19 . 1 1 60 60 ASP CA C 60 57.600 57.600 57.638 -0.038 25449 9485 1 19 . 1 1 60 60 ASP CB C 60 40.500 40.500 40.840 -0.340 25449 9486 1 19 . 1 1 60 60 ASP H H 60 8.970 8.970 8.633 0.337 25449 9487 1 19 . 1 1 61 61 ASP N N 61 119.900 119.900 119.531 0.369 25449 9488 1 19 . 1 1 61 61 ASP HA H 61 4.360 4.360 4.490 -0.130 25449 9489 1 19 . 1 1 61 61 ASP C C 61 176.800 176.800 178.181 -1.381 25449 9490 1 19 . 1 1 61 61 ASP CA C 61 56.900 56.900 57.151 -0.251 25449 9491 1 19 . 1 1 61 61 ASP CB C 61 39.800 39.800 40.472 -0.672 25449 9492 1 19 . 1 1 61 61 ASP H H 61 6.920 6.920 8.644 -1.724 25449 9493 1 19 . 1 1 62 62 ALA N N 62 122.700 122.700 122.302 0.398 25449 9494 1 19 . 1 1 62 62 ALA HA H 62 3.380 3.380 3.425 -0.045 25449 9495 1 19 . 1 1 62 62 ALA C C 62 171.600 171.600 179.432 -7.832 25449 9496 1 19 . 1 1 62 62 ALA CA C 62 55.100 55.100 54.921 0.179 25449 9497 1 19 . 1 1 62 62 ALA CB C 62 18.200 18.200 18.271 -0.071 25449 9498 1 19 . 1 1 62 62 ALA H H 62 6.910 6.910 7.659 -0.749 25449 9499 1 19 . 1 1 63 63 LYS N N 63 116.200 116.200 118.690 -2.490 25449 9500 1 19 . 1 1 63 63 LYS HA H 63 4.190 4.190 3.955 0.235 25449 9501 1 19 . 1 1 63 63 LYS C C 63 179.200 179.200 179.183 0.017 25449 9502 1 19 . 1 1 63 63 LYS CA C 63 59.300 59.300 59.356 -0.056 25449 9503 1 19 . 1 1 63 63 LYS CB C 63 32.600 32.600 31.787 0.813 25449 9504 1 19 . 1 1 63 63 LYS H H 63 8.020 8.020 7.868 0.152 25449 9505 1 19 . 1 1 64 64 HIS N N 64 117.400 117.400 117.491 -0.091 25449 9506 1 19 . 1 1 64 64 HIS HA H 64 4.310 4.310 4.422 -0.112 25449 9507 1 19 . 1 1 64 64 HIS CA C 64 58.000 58.000 58.606 -0.606 25449 9508 1 19 . 1 1 64 64 HIS CB C 64 29.100 29.100 29.993 -0.893 25449 9509 1 19 . 1 1 64 64 HIS H H 64 7.460 7.460 7.490 -0.030 25449 9510 1 19 . 1 1 65 65 ALA N N 65 123.700 123.700 122.192 1.508 25449 9511 1 19 . 1 1 65 65 ALA HA H 65 2.170 2.170 3.961 -1.791 25449 9512 1 19 . 1 1 65 65 ALA C C 65 178.700 178.700 178.806 -0.106 25449 9513 1 19 . 1 1 65 65 ALA CA C 65 54.800 54.800 54.735 0.065 25449 9514 1 19 . 1 1 65 65 ALA CB C 65 19.400 19.400 18.544 0.856 25449 9515 1 19 . 1 1 65 65 ALA H H 65 8.190 8.190 7.621 0.569 25449 9516 1 19 . 1 1 66 66 LEU N N 66 119.800 119.800 117.763 2.037 25449 9517 1 19 . 1 1 66 66 LEU HA H 66 3.430 3.430 4.094 -0.664 25449 9518 1 19 . 1 1 66 66 LEU C C 66 178.700 178.700 178.996 -0.296 25449 9519 1 19 . 1 1 66 66 LEU CA C 66 59.700 59.700 57.642 2.058 25449 9520 1 19 . 1 1 66 66 LEU CB C 66 41.100 41.100 41.713 -0.613 25449 9521 1 19 . 1 1 66 66 LEU H H 66 8.340 8.340 7.574 0.766 25449 9522 1 19 . 1 1 67 67 TYR N N 67 116.200 116.200 120.281 -4.081 25449 9523 1 19 . 1 1 67 67 TYR HA H 67 4.010 4.010 4.072 -0.062 25449 9524 1 19 . 1 1 67 67 TYR C C 67 177.700 177.700 177.274 0.426 25449 9525 1 19 . 1 1 67 67 TYR CA C 67 60.500 60.500 62.627 -2.127 25449 9526 1 19 . 1 1 67 67 TYR CB C 67 38.100 38.100 38.587 -0.487 25449 9527 1 19 . 1 1 67 67 TYR H H 67 7.760 7.760 7.657 0.103 25449 9528 1 19 . 1 1 68 68 ASN N N 68 113.900 113.900 116.100 -2.200 25449 9529 1 19 . 1 1 68 68 ASN HA H 68 4.430 4.430 4.595 -0.165 25449 9530 1 19 . 1 1 68 68 ASN C C 68 176.400 176.400 176.187 0.213 25449 9531 1 19 . 1 1 68 68 ASN CA C 68 55.600 55.600 55.023 0.577 25449 9532 1 19 . 1 1 68 68 ASN CB C 68 41.400 41.400 38.553 2.847 25449 9533 1 19 . 1 1 68 68 ASN H H 68 7.480 7.480 7.818 -0.338 25449 9534 1 19 . 1 1 69 69 MET N N 69 114.900 114.900 116.367 -1.467 25449 9535 1 19 . 1 1 69 69 MET HA H 69 4.760 4.760 4.512 0.248 25449 9536 1 19 . 1 1 69 69 MET C C 69 177.000 177.000 176.816 0.184 25449 9537 1 19 . 1 1 69 69 MET CA C 69 53.500 53.500 54.170 -0.671 25449 9538 1 19 . 1 1 69 69 MET CB C 69 31.100 31.100 32.713 -1.613 25449 9539 1 19 . 1 1 69 69 MET H H 69 8.310 8.310 7.396 0.914 25449 9540 1 19 . 1 1 70 70 ASN N N 70 117.700 117.700 119.129 -1.429 25449 9541 1 19 . 1 1 70 70 ASN HA H 70 4.370 4.370 4.612 -0.242 25449 9542 1 19 . 1 1 70 70 ASN C C 70 176.400 176.400 176.596 -0.196 25449 9543 1 19 . 1 1 70 70 ASN CA C 70 56.100 56.100 55.360 0.740 25449 9544 1 19 . 1 1 70 70 ASN CB C 70 38.700 38.700 39.236 -0.536 25449 9545 1 19 . 1 1 70 70 ASN H H 70 7.660 7.660 7.778 -0.118 25449 9546 1 19 . 1 1 71 71 ASN N N 71 121.500 121.500 117.329 4.171 25449 9547 1 19 . 1 1 71 71 ASN HA H 71 4.510 4.510 4.609 -0.099 25449 9548 1 19 . 1 1 71 71 ASN C C 71 173.300 173.300 174.400 -1.100 25449 9549 1 19 . 1 1 71 71 ASN CA C 71 55.800 55.800 53.238 2.562 25449 9550 1 19 . 1 1 71 71 ASN CB C 71 38.200 38.200 38.203 -0.003 25449 9551 1 19 . 1 1 71 71 ASN H H 71 8.600 8.600 8.095 0.505 25449 9552 1 19 . 1 1 72 72 PHE N N 72 122.300 122.300 121.066 1.234 25449 9553 1 19 . 1 1 72 72 PHE HA H 72 4.190 4.190 4.520 -0.330 25449 9554 1 19 . 1 1 72 72 PHE C C 72 174.100 174.100 173.453 0.647 25449 9555 1 19 . 1 1 72 72 PHE CA C 72 58.700 58.700 56.684 2.016 25449 9556 1 19 . 1 1 72 72 PHE CB C 72 41.300 41.300 40.525 0.775 25449 9557 1 19 . 1 1 72 72 PHE H H 72 7.870 7.870 7.555 0.315 25449 9558 1 19 . 1 1 73 73 GLU N N 73 126.100 126.100 128.255 -2.155 25449 9559 1 19 . 1 1 73 73 GLU HA H 73 4.230 4.230 4.524 -0.294 25449 9560 1 19 . 1 1 73 73 GLU C C 73 173.000 173.000 174.323 -1.323 25449 9561 1 19 . 1 1 73 73 GLU CA C 73 55.600 55.600 54.306 1.294 25449 9562 1 19 . 1 1 73 73 GLU CB C 73 30.300 30.300 31.974 -1.675 25449 9563 1 19 . 1 1 73 73 GLU H H 73 7.690 7.690 8.218 -0.528 25449 9564 1 19 . 1 1 74 74 LEU N N 74 128.900 128.900 126.340 2.560 25449 9565 1 19 . 1 1 74 74 LEU HA H 74 4.520 4.520 4.212 0.308 25449 9566 1 19 . 1 1 74 74 LEU C C 74 175.500 175.500 176.133 -0.633 25449 9567 1 19 . 1 1 74 74 LEU CA C 74 53.300 53.300 54.305 -1.005 25449 9568 1 19 . 1 1 74 74 LEU CB C 74 44.600 44.600 42.268 2.332 25449 9569 1 19 . 1 1 74 74 LEU H H 74 8.620 8.620 7.914 0.706 25449 9570 1 19 . 1 1 75 75 ASN N N 75 126.800 126.800 121.699 5.101 25449 9571 1 19 . 1 1 75 75 ASN HA H 75 4.210 4.210 4.464 -0.254 25449 9572 1 19 . 1 1 75 75 ASN C C 75 175.600 175.600 175.923 -0.323 25449 9573 1 19 . 1 1 75 75 ASN CA C 75 53.900 53.900 53.770 0.130 25449 9574 1 19 . 1 1 75 75 ASN CB C 75 36.900 36.900 36.903 -0.003 25449 9575 1 19 . 1 1 75 75 ASN H H 75 9.520 9.520 9.055 0.465 25449 9576 1 19 . 1 1 76 76 GLY N N 76 102.300 102.300 103.571 -1.271 25449 9577 1 19 . 1 1 76 76 GLY C C 76 173.600 173.600 173.972 -0.372 25449 9578 1 19 . 1 1 76 76 GLY CA C 76 45.300 45.300 45.554 -0.254 25449 9579 1 19 . 1 1 76 76 GLY H H 76 8.500 8.500 8.495 0.005 25449 9580 1 19 . 1 1 77 77 LYS N N 77 120.800 120.800 119.883 0.917 25449 9581 1 19 . 1 1 77 77 LYS HA H 77 4.570 4.570 4.480 0.090 25449 9582 1 19 . 1 1 77 77 LYS C C 77 175.100 175.100 175.030 0.070 25449 9583 1 19 . 1 1 77 77 LYS CA C 77 54.200 54.200 54.363 -0.163 25449 9584 1 19 . 1 1 77 77 LYS CB C 77 34.500 34.500 34.597 -0.097 25449 9585 1 19 . 1 1 77 77 LYS H H 77 7.580 7.580 7.398 0.182 25449 9586 1 19 . 1 1 78 78 ARG N N 78 123.300 123.300 125.171 -1.871 25449 9587 1 19 . 1 1 78 78 ARG HA H 78 4.480 4.480 4.322 0.158 25449 9588 1 19 . 1 1 78 78 ARG C C 78 176.600 176.600 175.959 0.641 25449 9589 1 19 . 1 1 78 78 ARG CA C 78 55.300 55.300 55.212 0.087 25449 9590 1 19 . 1 1 78 78 ARG CB C 78 30.300 30.300 30.590 -0.290 25449 9591 1 19 . 1 1 78 78 ARG H H 78 8.580 8.580 8.495 0.085 25449 9592 1 19 . 1 1 79 79 ILE N N 79 120.100 120.100 124.150 -4.050 25449 9593 1 19 . 1 1 79 79 ILE HA H 79 4.700 4.700 4.320 0.380 25449 9594 1 19 . 1 1 79 79 ILE C C 79 175.200 175.200 174.750 0.450 25449 9595 1 19 . 1 1 79 79 ILE CA C 79 60.000 60.000 60.252 -0.252 25449 9596 1 19 . 1 1 79 79 ILE CB C 79 39.400 39.400 39.102 0.298 25449 9597 1 19 . 1 1 79 79 ILE H H 79 8.450 8.450 8.274 0.176 25449 9598 1 19 . 1 1 80 80 HIS N N 80 119.900 119.900 125.057 -5.157 25449 9599 1 19 . 1 1 80 80 HIS HA H 80 5.190 5.190 4.752 0.438 25449 9600 1 19 . 1 1 80 80 HIS C C 80 173.600 173.600 174.910 -1.310 25449 9601 1 19 . 1 1 80 80 HIS CA C 80 53.800 53.800 55.843 -2.043 25449 9602 1 19 . 1 1 80 80 HIS CB C 80 31.300 31.300 30.369 0.931 25449 9603 1 19 . 1 1 80 80 HIS H H 80 8.580 8.580 8.354 0.226 25449 9604 1 19 . 1 1 81 81 VAL N N 81 123.800 123.800 125.440 -1.640 25449 9605 1 19 . 1 1 81 81 VAL HA H 81 5.280 5.280 4.422 0.858 25449 9606 1 19 . 1 1 81 81 VAL C C 81 173.600 173.600 174.558 -0.958 25449 9607 1 19 . 1 1 81 81 VAL CA C 81 60.200 60.200 61.213 -1.013 25449 9608 1 19 . 1 1 81 81 VAL CB C 81 35.000 35.000 33.109 1.891 25449 9609 1 19 . 1 1 81 81 VAL H H 81 8.650 8.650 8.514 0.136 25449 9610 1 19 . 1 1 82 82 ASN N N 82 121.100 121.100 123.353 -2.253 25449 9611 1 19 . 1 1 82 82 ASN HA H 82 4.750 4.750 5.104 -0.354 25449 9612 1 19 . 1 1 82 82 ASN C C 82 174.000 174.000 173.328 0.672 25449 9613 1 19 . 1 1 82 82 ASN CA C 82 51.900 51.900 51.654 0.246 25449 9614 1 19 . 1 1 82 82 ASN CB C 82 42.900 42.900 41.879 1.021 25449 9615 1 19 . 1 1 82 82 ASN H H 82 8.890 8.890 8.304 0.586 25449 9616 1 19 . 1 1 83 83 TYR N N 83 120.400 120.400 121.019 -0.619 25449 9617 1 19 . 1 1 83 83 TYR HA H 83 4.800 4.800 4.952 -0.152 25449 9618 1 19 . 1 1 83 83 TYR C C 83 177.100 177.100 174.924 2.176 25449 9619 1 19 . 1 1 83 83 TYR CA C 83 59.400 59.400 57.877 1.523 25449 9620 1 19 . 1 1 83 83 TYR CB C 83 38.700 38.700 39.686 -0.986 25449 9621 1 19 . 1 1 83 83 TYR H H 83 8.480 8.480 8.786 -0.306 25449 9622 1 19 . 1 1 84 84 SER N N 84 118.000 118.000 116.688 1.312 25449 9623 1 19 . 1 1 84 84 SER HA H 84 4.520 4.520 4.409 0.111 25449 9624 1 19 . 1 1 84 84 SER C C 84 174.100 174.100 171.890 2.210 25449 9625 1 19 . 1 1 84 84 SER CA C 84 57.700 57.700 56.493 1.207 25449 9626 1 19 . 1 1 84 84 SER CB C 84 64.300 64.300 66.026 -1.726 25449 9627 1 19 . 1 1 84 84 SER H H 84 9.040 9.040 7.588 1.452 25449 9628 1 19 . 1 1 85 85 LYS N N 85 125.300 125.300 120.176 5.124 25449 9629 1 19 . 1 1 85 85 LYS HA H 85 4.440 4.440 4.272 0.168 25449 9630 1 19 . 1 1 85 85 LYS C C 85 175.600 175.600 175.555 0.045 25449 9631 1 19 . 1 1 85 85 LYS CA C 85 56.300 56.300 55.638 0.662 25449 9632 1 19 . 1 1 85 85 LYS CB C 85 33.700 33.700 33.765 -0.065 25449 9633 1 19 . 1 1 85 85 LYS H H 85 8.410 8.410 8.197 0.213 25449 9634 1 20 . 1 1 -1 -1 SER N N -1 115.600 115.600 116.238 -0.638 25449 9635 1 20 . 1 1 -1 -1 SER HA H -1 4.410 4.410 4.402 0.008 25449 9636 1 20 . 1 1 -1 -1 SER C C -1 172.000 172.000 174.822 -2.822 25449 9637 1 20 . 1 1 -1 -1 SER CA C -1 58.200 58.200 58.680 -0.480 25449 9638 1 20 . 1 1 -1 -1 SER CB C -1 63.900 63.900 63.698 0.202 25449 9639 1 20 . 1 1 -1 -1 SER H H -1 8.670 8.670 8.513 0.157 25449 9640 1 20 . 1 1 0 0 HIS N N 0 121.200 121.200 115.549 5.651 25449 9641 1 20 . 1 1 0 0 HIS HA H 0 4.590 4.590 4.478 0.112 25449 9642 1 20 . 1 1 0 0 HIS C C 0 174.800 174.800 174.572 0.228 25449 9643 1 20 . 1 1 0 0 HIS CA C 0 56.100 56.100 56.309 -0.209 25449 9644 1 20 . 1 1 0 0 HIS CB C 0 29.900 29.900 31.249 -1.349 25449 9645 1 20 . 1 1 0 0 HIS H H 0 8.730 8.730 8.049 0.681 25449 9646 1 20 . 1 1 1 1 MET N N 1 121.800 121.800 117.012 4.788 25449 9647 1 20 . 1 1 1 1 MET HA H 1 4.370 4.370 4.669 -0.299 25449 9648 1 20 . 1 1 1 1 MET C C 1 176.300 176.300 175.465 0.835 25449 9649 1 20 . 1 1 1 1 MET CA C 1 55.700 55.700 55.282 0.418 25449 9650 1 20 . 1 1 1 1 MET CB C 1 32.800 32.800 34.624 -1.824 25449 9651 1 20 . 1 1 1 1 MET H H 1 8.450 8.450 8.437 0.013 25449 9652 1 20 . 1 1 2 2 SER N N 2 116.700 116.700 115.413 1.287 25449 9653 1 20 . 1 1 2 2 SER HA H 2 4.370 4.370 4.699 -0.329 25449 9654 1 20 . 1 1 2 2 SER C C 2 174.200 174.200 172.539 1.661 25449 9655 1 20 . 1 1 2 2 SER CA C 2 58.400 58.400 57.523 0.878 25449 9656 1 20 . 1 1 2 2 SER CB C 2 63.800 63.800 64.615 -0.815 25449 9657 1 20 . 1 1 2 2 SER H H 2 8.410 8.410 8.132 0.278 25449 9658 1 20 . 1 1 3 3 ASP N N 3 122.100 122.100 121.045 1.055 25449 9659 1 20 . 1 1 3 3 ASP HA H 3 4.550 4.550 4.980 -0.430 25449 9660 1 20 . 1 1 3 3 ASP C C 3 176.100 176.100 174.127 1.973 25449 9661 1 20 . 1 1 3 3 ASP CA C 3 54.500 54.500 54.084 0.416 25449 9662 1 20 . 1 1 3 3 ASP CB C 3 41.200 41.200 42.309 -1.109 25449 9663 1 20 . 1 1 3 3 ASP H H 3 8.340 8.340 8.577 -0.237 25449 9664 1 20 . 1 1 4 4 ASN N N 4 119.100 119.100 121.067 -1.967 25449 9665 1 20 . 1 1 4 4 ASN HA H 4 4.580 4.580 4.715 -0.135 25449 9666 1 20 . 1 1 4 4 ASN C C 4 174.900 174.900 173.403 1.497 25449 9667 1 20 . 1 1 4 4 ASN CA C 4 53.700 53.700 51.952 1.748 25449 9668 1 20 . 1 1 4 4 ASN CB C 4 38.900 38.900 40.070 -1.170 25449 9669 1 20 . 1 1 4 4 ASN H H 4 8.420 8.420 8.201 0.219 25449 9670 1 20 . 1 1 5 5 ASN N N 5 118.400 118.400 114.713 3.687 25449 9671 1 20 . 1 1 5 5 ASN HA H 5 4.540 4.540 4.401 0.139 25449 9672 1 20 . 1 1 5 5 ASN C C 5 173.900 173.900 175.003 -1.103 25449 9673 1 20 . 1 1 5 5 ASN CA C 5 53.200 53.200 52.453 0.747 25449 9674 1 20 . 1 1 5 5 ASN CB C 5 38.700 38.700 38.647 0.053 25449 9675 1 20 . 1 1 5 5 ASN H H 5 8.340 8.340 8.315 0.025 25449 9676 1 20 . 1 1 6 6 ALA N N 6 122.100 122.100 122.732 -0.632 25449 9677 1 20 . 1 1 6 6 ALA HA H 6 2.740 2.740 4.302 -1.562 25449 9678 1 20 . 1 1 6 6 ALA C C 6 177.000 177.000 177.438 -0.438 25449 9679 1 20 . 1 1 6 6 ALA CA C 6 52.300 52.300 52.720 -0.420 25449 9680 1 20 . 1 1 6 6 ALA CB C 6 20.000 20.000 19.426 0.574 25449 9681 1 20 . 1 1 6 6 ALA H H 6 7.590 7.590 7.727 -0.137 25449 9682 1 20 . 1 1 7 7 THR N N 7 112.700 112.700 116.417 -3.717 25449 9683 1 20 . 1 1 7 7 THR HA H 7 4.390 4.390 4.353 0.037 25449 9684 1 20 . 1 1 7 7 THR C C 7 171.700 171.700 175.192 -3.492 25449 9685 1 20 . 1 1 7 7 THR CA C 7 59.800 59.800 61.815 -2.015 25449 9686 1 20 . 1 1 7 7 THR CB C 7 70.600 70.600 70.487 0.112 25449 9687 1 20 . 1 1 7 7 THR H H 7 6.840 6.840 8.191 -1.351 25449 9688 1 20 . 1 1 8 8 ASP N N 8 114.600 114.600 121.284 -6.684 25449 9689 1 20 . 1 1 8 8 ASP HA H 8 4.490 4.490 4.368 0.122 25449 9690 1 20 . 1 1 8 8 ASP C C 8 174.300 174.300 174.944 -0.644 25449 9691 1 20 . 1 1 8 8 ASP CA C 8 53.500 53.500 55.612 -2.112 25449 9692 1 20 . 1 1 8 8 ASP CB C 8 39.800 39.800 40.367 -0.567 25449 9693 1 20 . 1 1 8 8 ASP H H 8 8.170 8.170 8.665 -0.495 25449 9694 1 20 . 1 1 9 9 ILE N N 9 117.800 117.800 118.827 -1.027 25449 9695 1 20 . 1 1 9 9 ILE HA H 9 4.810 4.810 5.071 -0.261 25449 9696 1 20 . 1 1 9 9 ILE C C 9 174.700 174.700 174.435 0.265 25449 9697 1 20 . 1 1 9 9 ILE CA C 9 60.600 60.600 60.213 0.387 25449 9698 1 20 . 1 1 9 9 ILE CB C 9 40.300 40.300 40.232 0.068 25449 9699 1 20 . 1 1 9 9 ILE H H 9 7.890 7.890 7.415 0.475 25449 9700 1 20 . 1 1 10 10 LEU N N 10 125.300 125.300 127.227 -1.927 25449 9701 1 20 . 1 1 10 10 LEU HA H 10 4.960 4.960 4.737 0.223 25449 9702 1 20 . 1 1 10 10 LEU C C 10 176.100 176.100 175.405 0.695 25449 9703 1 20 . 1 1 10 10 LEU CA C 10 52.900 52.900 53.765 -0.865 25449 9704 1 20 . 1 1 10 10 LEU CB C 10 43.100 43.100 43.725 -0.625 25449 9705 1 20 . 1 1 10 10 LEU H H 10 9.370 9.370 8.123 1.247 25449 9706 1 20 . 1 1 11 11 PHE N N 11 124.300 124.300 127.588 -3.288 25449 9707 1 20 . 1 1 11 11 PHE HA H 11 4.670 4.670 4.789 -0.119 25449 9708 1 20 . 1 1 11 11 PHE C C 11 173.400 173.400 173.815 -0.415 25449 9709 1 20 . 1 1 11 11 PHE CA C 11 57.000 57.000 57.254 -0.254 25449 9710 1 20 . 1 1 11 11 PHE CB C 11 40.700 40.700 40.010 0.690 25449 9711 1 20 . 1 1 11 11 PHE H H 11 9.310 9.310 8.260 1.050 25449 9712 1 20 . 1 1 12 12 VAL N N 12 128.300 128.300 128.730 -0.430 25449 9713 1 20 . 1 1 12 12 VAL HA H 12 4.420 4.420 4.158 0.262 25449 9714 1 20 . 1 1 12 12 VAL C C 12 173.900 173.900 174.576 -0.676 25449 9715 1 20 . 1 1 12 12 VAL CA C 12 60.200 60.200 61.502 -1.302 25449 9716 1 20 . 1 1 12 12 VAL CB C 12 33.100 33.100 32.498 0.602 25449 9717 1 20 . 1 1 12 12 VAL H H 12 8.380 8.380 7.772 0.608 25449 9718 1 20 . 1 1 13 13 GLY N N 13 111.800 111.800 113.381 -1.581 25449 9719 1 20 . 1 1 13 13 GLY C C 13 173.800 173.800 173.163 0.637 25449 9720 1 20 . 1 1 13 13 GLY CA C 13 43.400 43.400 43.374 0.026 25449 9721 1 20 . 1 1 13 13 GLY H H 13 9.150 9.150 7.703 1.447 25449 9722 1 20 . 1 1 14 14 GLY N N 14 107.600 107.600 109.291 -1.691 25449 9723 1 20 . 1 1 14 14 GLY C C 14 175.400 175.400 173.719 1.681 25449 9724 1 20 . 1 1 14 14 GLY CA C 14 45.800 45.800 44.730 1.070 25449 9725 1 20 . 1 1 14 14 GLY H H 14 8.260 8.260 8.244 0.016 25449 9726 1 20 . 1 1 15 15 ILE N N 15 111.100 111.100 116.140 -5.040 25449 9727 1 20 . 1 1 15 15 ILE HA H 15 4.040 4.040 4.356 -0.316 25449 9728 1 20 . 1 1 15 15 ILE C C 15 175.500 175.500 175.948 -0.448 25449 9729 1 20 . 1 1 15 15 ILE CA C 15 60.500 60.500 58.235 2.265 25449 9730 1 20 . 1 1 15 15 ILE CB C 15 38.500 38.500 39.442 -0.942 25449 9731 1 20 . 1 1 15 15 ILE H H 15 6.930 6.930 7.175 -0.245 25449 9732 1 20 . 1 1 16 16 ASP N N 16 122.800 122.800 122.468 0.332 25449 9733 1 20 . 1 1 16 16 ASP HA H 16 4.580 4.580 4.402 0.178 25449 9734 1 20 . 1 1 16 16 ASP C C 16 177.200 177.200 176.541 0.659 25449 9735 1 20 . 1 1 16 16 ASP CA C 16 53.700 53.700 54.550 -0.850 25449 9736 1 20 . 1 1 16 16 ASP CB C 16 42.500 42.500 41.352 1.149 25449 9737 1 20 . 1 1 16 16 ASP H H 16 8.320 8.320 8.718 -0.398 25449 9738 1 20 . 1 1 17 17 GLU N N 17 119.600 119.600 115.234 4.366 25449 9739 1 20 . 1 1 17 17 GLU HA H 17 4.140 4.140 4.235 -0.095 25449 9740 1 20 . 1 1 17 17 GLU C C 17 176.800 176.800 176.492 0.308 25449 9741 1 20 . 1 1 17 17 GLU CA C 17 58.600 58.600 57.382 1.218 25449 9742 1 20 . 1 1 17 17 GLU CB C 17 29.800 29.800 29.478 0.322 25449 9743 1 20 . 1 1 17 17 GLU H H 17 8.830 8.830 8.637 0.193 25449 9744 1 20 . 1 1 18 18 THR N N 18 111.300 111.300 115.105 -3.805 25449 9745 1 20 . 1 1 18 18 THR HA H 18 4.250 4.250 4.461 -0.211 25449 9746 1 20 . 1 1 18 18 THR C C 18 175.200 175.200 173.850 1.350 25449 9747 1 20 . 1 1 18 18 THR CA C 18 62.600 62.600 60.840 1.760 25449 9748 1 20 . 1 1 18 18 THR CB C 18 69.600 69.600 68.858 0.742 25449 9749 1 20 . 1 1 18 18 THR H H 18 8.740 8.740 7.980 0.760 25449 9750 1 20 . 1 1 19 19 ILE N N 19 123.300 123.300 117.987 5.313 25449 9751 1 20 . 1 1 19 19 ILE HA H 19 3.880 3.880 4.463 -0.583 25449 9752 1 20 . 1 1 19 19 ILE C C 19 174.300 174.300 174.223 0.077 25449 9753 1 20 . 1 1 19 19 ILE CA C 19 59.900 59.900 58.455 1.445 25449 9754 1 20 . 1 1 19 19 ILE CB C 19 35.600 35.600 39.665 -4.065 25449 9755 1 20 . 1 1 19 19 ILE H H 19 7.220 7.220 7.352 -0.132 25449 9756 1 20 . 1 1 20 20 ASP N N 20 125.600 125.600 121.316 4.284 25449 9757 1 20 . 1 1 20 20 ASP HA H 20 4.640 4.640 4.824 -0.184 25449 9758 1 20 . 1 1 20 20 ASP C C 20 175.300 175.300 176.688 -1.388 25449 9759 1 20 . 1 1 20 20 ASP CA C 20 51.500 51.500 53.567 -2.067 25449 9760 1 20 . 1 1 20 20 ASP CB C 20 43.000 43.000 43.506 -0.506 25449 9761 1 20 . 1 1 20 20 ASP H H 20 7.790 7.790 8.139 -0.349 25449 9762 1 20 . 1 1 21 21 GLU N N 21 118.400 118.400 122.243 -3.843 25449 9763 1 20 . 1 1 21 21 GLU HA H 21 3.630 3.630 3.987 -0.357 25449 9764 1 20 . 1 1 21 21 GLU C C 21 177.900 177.900 178.280 -0.380 25449 9765 1 20 . 1 1 21 21 GLU CA C 21 60.900 60.900 60.094 0.806 25449 9766 1 20 . 1 1 21 21 GLU CB C 21 29.200 29.200 29.658 -0.458 25449 9767 1 20 . 1 1 21 21 GLU H H 21 9.220 9.220 8.958 0.262 25449 9768 1 20 . 1 1 22 22 LYS N N 22 119.700 119.700 116.900 2.800 25449 9769 1 20 . 1 1 22 22 LYS HA H 22 4.060 4.060 4.294 -0.234 25449 9770 1 20 . 1 1 22 22 LYS C C 22 178.500 178.500 178.904 -0.404 25449 9771 1 20 . 1 1 22 22 LYS CA C 22 59.300 59.300 58.376 0.924 25449 9772 1 20 . 1 1 22 22 LYS CB C 22 31.800 31.800 32.009 -0.209 25449 9773 1 20 . 1 1 22 22 LYS H H 22 8.040 8.040 8.355 -0.315 25449 9774 1 20 . 1 1 23 23 SER N N 23 114.900 114.900 117.569 -2.669 25449 9775 1 20 . 1 1 23 23 SER HA H 23 4.300 4.300 4.272 0.028 25449 9776 1 20 . 1 1 23 23 SER C C 23 177.600 177.600 176.297 1.303 25449 9777 1 20 . 1 1 23 23 SER CA C 23 61.800 61.800 61.754 0.046 25449 9778 1 20 . 1 1 23 23 SER CB C 23 62.900 62.900 62.931 -0.030 25449 9779 1 20 . 1 1 23 23 SER H H 23 8.240 8.240 7.670 0.570 25449 9780 1 20 . 1 1 24 24 LEU N N 24 118.800 118.800 121.164 -2.364 25449 9781 1 20 . 1 1 24 24 LEU HA H 24 4.180 4.180 4.144 0.036 25449 9782 1 20 . 1 1 24 24 LEU C C 24 178.700 178.700 178.728 -0.028 25449 9783 1 20 . 1 1 24 24 LEU CA C 24 57.300 57.300 57.069 0.231 25449 9784 1 20 . 1 1 24 24 LEU CB C 24 42.100 42.100 41.435 0.664 25449 9785 1 20 . 1 1 24 24 LEU H H 24 7.750 7.750 7.454 0.296 25449 9786 1 20 . 1 1 25 25 TYR N N 25 123.200 123.200 120.278 2.922 25449 9787 1 20 . 1 1 25 25 TYR HA H 25 3.630 3.630 4.044 -0.414 25449 9788 1 20 . 1 1 25 25 TYR C C 25 178.600 178.600 177.116 1.484 25449 9789 1 20 . 1 1 25 25 TYR CA C 25 63.200 63.200 61.578 1.622 25449 9790 1 20 . 1 1 25 25 TYR CB C 25 38.200 38.200 38.454 -0.254 25449 9791 1 20 . 1 1 25 25 TYR H H 25 8.970 8.970 7.596 1.374 25449 9792 1 20 . 1 1 26 26 ASP N N 26 119.800 119.800 119.139 0.661 25449 9793 1 20 . 1 1 26 26 ASP HA H 26 4.270 4.270 4.506 -0.236 25449 9794 1 20 . 1 1 26 26 ASP C C 26 177.900 177.900 179.353 -1.453 25449 9795 1 20 . 1 1 26 26 ASP CA C 26 57.700 57.700 57.240 0.459 25449 9796 1 20 . 1 1 26 26 ASP CB C 26 40.000 40.000 41.228 -1.228 25449 9797 1 20 . 1 1 26 26 ASP H H 26 8.510 8.510 7.717 0.793 25449 9798 1 20 . 1 1 27 27 ILE N N 27 114.700 114.700 120.198 -5.498 25449 9799 1 20 . 1 1 27 27 ILE HA H 27 3.960 3.960 3.836 0.124 25449 9800 1 20 . 1 1 27 27 ILE C C 27 177.700 177.700 177.617 0.083 25449 9801 1 20 . 1 1 27 27 ILE CA C 27 63.300 63.300 64.820 -1.520 25449 9802 1 20 . 1 1 27 27 ILE CB C 27 39.000 39.000 38.232 0.768 25449 9803 1 20 . 1 1 27 27 ILE H H 27 7.320 7.320 7.681 -0.361 25449 9804 1 20 . 1 1 28 28 PHE N N 28 116.900 116.900 115.753 1.147 25449 9805 1 20 . 1 1 28 28 PHE HA H 28 4.370 4.370 4.560 -0.190 25449 9806 1 20 . 1 1 28 28 PHE C C 28 179.900 179.900 176.435 3.465 25449 9807 1 20 . 1 1 28 28 PHE CA C 28 62.300 62.300 58.763 3.538 25449 9808 1 20 . 1 1 28 28 PHE CB C 28 37.300 37.300 38.920 -1.620 25449 9809 1 20 . 1 1 28 28 PHE H H 28 8.650 8.650 8.041 0.609 25449 9810 1 20 . 1 1 29 29 SER N N 29 120.100 120.100 112.378 7.722 25449 9811 1 20 . 1 1 29 29 SER HA H 29 4.410 4.410 4.728 -0.318 25449 9812 1 20 . 1 1 29 29 SER C C 29 175.600 175.600 175.553 0.047 25449 9813 1 20 . 1 1 29 29 SER CA C 29 61.300 61.300 59.151 2.149 25449 9814 1 20 . 1 1 29 29 SER CB C 29 62.200 62.200 63.502 -1.302 25449 9815 1 20 . 1 1 29 29 SER H H 29 8.880 8.880 7.577 1.303 25449 9816 1 20 . 1 1 30 30 SER N N 30 116.200 116.200 117.513 -1.313 25449 9817 1 20 . 1 1 30 30 SER HA H 30 3.940 3.940 4.259 -0.319 25449 9818 1 20 . 1 1 30 30 SER C C 30 174.900 174.900 175.476 -0.576 25449 9819 1 20 . 1 1 30 30 SER CA C 30 60.400 60.400 60.815 -0.415 25449 9820 1 20 . 1 1 30 30 SER CB C 30 62.400 62.400 63.203 -0.803 25449 9821 1 20 . 1 1 30 30 SER H H 30 7.270 7.270 7.972 -0.702 25449 9822 1 20 . 1 1 31 31 PHE N N 31 115.600 115.600 121.756 -6.156 25449 9823 1 20 . 1 1 31 31 PHE HA H 31 4.280 4.280 4.592 -0.312 25449 9824 1 20 . 1 1 31 31 PHE C C 31 174.100 174.100 176.244 -2.144 25449 9825 1 20 . 1 1 31 31 PHE CA C 31 58.900 58.900 58.969 -0.069 25449 9826 1 20 . 1 1 31 31 PHE CB C 31 39.300 39.300 40.263 -0.963 25449 9827 1 20 . 1 1 31 31 PHE H H 31 6.980 6.980 8.005 -1.025 25449 9828 1 20 . 1 1 32 32 GLY N N 32 104.900 104.900 106.789 -1.889 25449 9829 1 20 . 1 1 32 32 GLY C C 32 171.600 171.600 172.807 -1.207 25449 9830 1 20 . 1 1 32 32 GLY CA C 32 44.300 44.300 44.561 -0.261 25449 9831 1 20 . 1 1 32 32 GLY H H 32 7.300 7.300 7.611 -0.311 25449 9832 1 20 . 1 1 33 33 ASP N N 33 116.100 116.100 124.719 -8.619 25449 9833 1 20 . 1 1 33 33 ASP HA H 33 4.510 4.510 4.466 0.044 25449 9834 1 20 . 1 1 33 33 ASP C C 33 176.800 176.800 174.593 2.207 25449 9835 1 20 . 1 1 33 33 ASP CA C 33 55.400 55.400 55.529 -0.129 25449 9836 1 20 . 1 1 33 33 ASP CB C 33 40.600 40.600 42.369 -1.769 25449 9837 1 20 . 1 1 33 33 ASP H H 33 8.120 8.120 8.502 -0.382 25449 9838 1 20 . 1 1 34 34 ILE N N 34 126.400 126.400 118.634 7.766 25449 9839 1 20 . 1 1 34 34 ILE HA H 34 3.850 3.850 4.034 -0.184 25449 9840 1 20 . 1 1 34 34 ILE C C 34 176.200 176.200 176.419 -0.219 25449 9841 1 20 . 1 1 34 34 ILE CA C 34 60.200 60.200 58.437 1.763 25449 9842 1 20 . 1 1 34 34 ILE CB C 34 39.900 39.900 39.393 0.507 25449 9843 1 20 . 1 1 34 34 ILE H H 34 8.670 8.670 7.951 0.719 25449 9844 1 20 . 1 1 35 35 ARG N N 35 128.900 128.900 126.478 2.422 25449 9845 1 20 . 1 1 35 35 ARG HA H 35 4.160 4.160 4.124 0.036 25449 9846 1 20 . 1 1 35 35 ARG C C 35 175.600 175.600 176.031 -0.431 25449 9847 1 20 . 1 1 35 35 ARG CA C 35 57.500 57.500 58.907 -1.407 25449 9848 1 20 . 1 1 35 35 ARG CB C 35 31.700 31.700 30.970 0.730 25449 9849 1 20 . 1 1 35 35 ARG H H 35 9.320 9.320 8.340 0.980 25449 9850 1 20 . 1 1 36 36 ASN N N 36 114.300 114.300 113.741 0.559 25449 9851 1 20 . 1 1 36 36 ASN HA H 36 4.710 4.710 4.778 -0.068 25449 9852 1 20 . 1 1 36 36 ASN C C 36 172.000 172.000 172.834 -0.834 25449 9853 1 20 . 1 1 36 36 ASN CA C 36 53.500 53.500 53.200 0.300 25449 9854 1 20 . 1 1 36 36 ASN CB C 36 42.600 42.600 40.459 2.140 25449 9855 1 20 . 1 1 36 36 ASN H H 36 7.620 7.620 8.112 -0.492 25449 9856 1 20 . 1 1 37 37 ILE N N 37 122.700 122.700 122.016 0.684 25449 9857 1 20 . 1 1 37 37 ILE HA H 37 4.770 4.770 4.400 0.370 25449 9858 1 20 . 1 1 37 37 ILE C C 37 173.300 173.300 174.352 -1.052 25449 9859 1 20 . 1 1 37 37 ILE CA C 37 60.600 60.600 60.816 -0.216 25449 9860 1 20 . 1 1 37 37 ILE CB C 37 41.200 41.200 40.571 0.630 25449 9861 1 20 . 1 1 37 37 ILE H H 37 8.030 8.030 8.455 -0.425 25449 9862 1 20 . 1 1 38 38 GLU N N 38 126.700 126.700 128.635 -1.935 25449 9863 1 20 . 1 1 38 38 GLU HA H 38 4.660 4.660 4.711 -0.051 25449 9864 1 20 . 1 1 38 38 GLU C C 38 174.800 174.800 174.526 0.274 25449 9865 1 20 . 1 1 38 38 GLU CA C 38 54.400 54.400 55.439 -1.039 25449 9866 1 20 . 1 1 38 38 GLU CB C 38 33.400 33.400 31.481 1.919 25449 9867 1 20 . 1 1 38 38 GLU H H 38 8.870 8.870 8.551 0.319 25449 9868 1 20 . 1 1 39 39 VAL N N 39 126.400 126.400 127.449 -1.049 25449 9869 1 20 . 1 1 39 39 VAL CA C 39 58.700 58.700 58.868 -0.168 25449 9870 1 20 . 1 1 39 39 VAL CB C 39 32.600 32.600 32.892 -0.292 25449 9871 1 20 . 1 1 39 39 VAL H H 39 8.970 8.970 7.989 0.981 25449 9872 1 20 . 1 1 40 40 PRO HA H 40 4.230 4.230 4.415 -0.185 25449 9873 1 20 . 1 1 40 40 PRO C C 40 176.300 176.300 175.243 1.057 25449 9874 1 20 . 1 1 40 40 PRO CA C 40 63.300 63.300 62.948 0.352 25449 9875 1 20 . 1 1 40 40 PRO CB C 40 32.500 32.500 32.187 0.313 25449 9876 1 20 . 1 1 41 41 LEU N N 41 120.700 120.700 123.048 -2.348 25449 9877 1 20 . 1 1 41 41 LEU HA H 41 4.520 4.520 4.677 -0.157 25449 9878 1 20 . 1 1 41 41 LEU C C 41 177.900 177.900 175.780 2.120 25449 9879 1 20 . 1 1 41 41 LEU CA C 41 53.100 53.100 53.313 -0.213 25449 9880 1 20 . 1 1 41 41 LEU CB C 41 44.300 44.300 45.649 -1.349 25449 9881 1 20 . 1 1 41 41 LEU H H 41 8.520 8.520 8.185 0.335 25449 9882 1 20 . 1 1 42 42 ASN N N 42 121.400 121.400 122.188 -0.788 25449 9883 1 20 . 1 1 42 42 ASN HA H 42 4.560 4.560 4.957 -0.397 25449 9884 1 20 . 1 1 42 42 ASN C C 42 176.700 176.700 176.282 0.418 25449 9885 1 20 . 1 1 42 42 ASN CA C 42 52.900 52.900 52.322 0.578 25449 9886 1 20 . 1 1 42 42 ASN CB C 42 39.000 39.000 39.753 -0.753 25449 9887 1 20 . 1 1 42 42 ASN H H 42 8.740 8.740 8.315 0.425 25449 9888 1 20 . 1 1 43 43 MET N N 43 125.500 125.500 123.650 1.850 25449 9889 1 20 . 1 1 43 43 MET HA H 43 4.210 4.210 4.332 -0.122 25449 9890 1 20 . 1 1 43 43 MET C C 43 177.200 177.200 176.459 0.741 25449 9891 1 20 . 1 1 43 43 MET CA C 43 57.100 57.100 57.504 -0.404 25449 9892 1 20 . 1 1 43 43 MET CB C 43 31.600 31.600 32.154 -0.554 25449 9893 1 20 . 1 1 43 43 MET H H 43 9.080 9.080 8.894 0.186 25449 9894 1 20 . 1 1 44 44 THR N N 44 114.400 114.400 113.264 1.136 25449 9895 1 20 . 1 1 44 44 THR HA H 44 4.160 4.160 4.308 -0.148 25449 9896 1 20 . 1 1 44 44 THR C C 44 175.900 175.900 175.739 0.161 25449 9897 1 20 . 1 1 44 44 THR CA C 44 65.200 65.200 64.809 0.390 25449 9898 1 20 . 1 1 44 44 THR CB C 44 68.700 68.700 69.040 -0.340 25449 9899 1 20 . 1 1 44 44 THR H H 44 8.590 8.590 7.923 0.667 25449 9900 1 20 . 1 1 45 45 THR N N 45 110.300 110.300 114.370 -4.070 25449 9901 1 20 . 1 1 45 45 THR HA H 45 4.160 4.160 4.409 -0.249 25449 9902 1 20 . 1 1 45 45 THR C C 45 175.500 175.500 173.428 2.072 25449 9903 1 20 . 1 1 45 45 THR CA C 45 62.000 62.000 61.304 0.695 25449 9904 1 20 . 1 1 45 45 THR CB C 45 70.000 70.000 69.855 0.145 25449 9905 1 20 . 1 1 45 45 THR H H 45 7.610 7.610 7.725 -0.115 25449 9906 1 20 . 1 1 46 46 LYS N N 46 115.700 115.700 121.790 -6.090 25449 9907 1 20 . 1 1 46 46 LYS HA H 46 3.720 3.720 3.910 -0.190 25449 9908 1 20 . 1 1 46 46 LYS C C 46 174.600 174.600 174.148 0.452 25449 9909 1 20 . 1 1 46 46 LYS CA C 46 57.600 57.600 57.314 0.286 25449 9910 1 20 . 1 1 46 46 LYS CB C 46 28.900 28.900 30.571 -1.671 25449 9911 1 20 . 1 1 46 46 LYS H H 46 8.460 8.460 8.257 0.203 25449 9912 1 20 . 1 1 47 47 LYS N N 47 117.100 117.100 119.213 -2.113 25449 9913 1 20 . 1 1 47 47 LYS HA H 47 4.680 4.680 4.562 0.118 25449 9914 1 20 . 1 1 47 47 LYS C C 47 176.300 176.300 176.743 -0.443 25449 9915 1 20 . 1 1 47 47 LYS CA C 47 54.000 54.000 53.811 0.189 25449 9916 1 20 . 1 1 47 47 LYS CB C 47 35.100 35.100 34.514 0.586 25449 9917 1 20 . 1 1 47 47 LYS H H 47 7.610 7.610 7.541 0.069 25449 9918 1 20 . 1 1 48 48 ASN N N 48 117.700 117.700 119.652 -1.952 25449 9919 1 20 . 1 1 48 48 ASN HA H 48 4.700 4.700 4.736 -0.036 25449 9920 1 20 . 1 1 48 48 ASN C C 48 174.000 174.000 175.606 -1.606 25449 9921 1 20 . 1 1 48 48 ASN CA C 48 53.600 53.600 52.949 0.651 25449 9922 1 20 . 1 1 48 48 ASN CB C 48 37.700 37.700 38.953 -1.253 25449 9923 1 20 . 1 1 48 48 ASN H H 48 8.740 8.740 8.719 0.021 25449 9924 1 20 . 1 1 49 49 ARG N N 49 116.800 116.800 116.466 0.334 25449 9925 1 20 . 1 1 49 49 ARG HA H 49 4.350 4.350 3.956 0.394 25449 9926 1 20 . 1 1 49 49 ARG C C 49 177.500 177.500 176.454 1.046 25449 9927 1 20 . 1 1 49 49 ARG CA C 49 55.600 55.600 56.552 -0.952 25449 9928 1 20 . 1 1 49 49 ARG CB C 49 31.600 31.600 27.118 4.482 25449 9929 1 20 . 1 1 49 49 ARG H H 49 8.530 8.530 8.435 0.094 25449 9930 1 20 . 1 1 50 50 GLY N N 50 108.300 108.300 106.234 2.066 25449 9931 1 20 . 1 1 50 50 GLY C C 50 173.500 173.500 173.232 0.268 25449 9932 1 20 . 1 1 50 50 GLY CA C 50 45.800 45.800 45.165 0.635 25449 9933 1 20 . 1 1 50 50 GLY H H 50 8.900 8.900 8.727 0.173 25449 9934 1 20 . 1 1 51 51 PHE N N 51 113.900 113.900 116.362 -2.462 25449 9935 1 20 . 1 1 51 51 PHE HA H 51 5.470 5.470 4.383 1.087 25449 9936 1 20 . 1 1 51 51 PHE C C 51 172.000 172.000 171.803 0.197 25449 9937 1 20 . 1 1 51 51 PHE CA C 51 55.000 55.000 55.907 -0.907 25449 9938 1 20 . 1 1 51 51 PHE CB C 51 42.700 42.700 40.212 2.488 25449 9939 1 20 . 1 1 51 51 PHE H H 51 6.910 6.910 7.327 -0.417 25449 9940 1 20 . 1 1 52 52 ALA N N 52 120.500 120.500 124.470 -3.970 25449 9941 1 20 . 1 1 52 52 ALA HA H 52 4.630 4.630 4.326 0.304 25449 9942 1 20 . 1 1 52 52 ALA C C 52 173.900 173.900 174.554 -0.654 25449 9943 1 20 . 1 1 52 52 ALA CA C 52 50.200 50.200 50.433 -0.233 25449 9944 1 20 . 1 1 52 52 ALA CB C 52 25.100 25.100 22.259 2.841 25449 9945 1 20 . 1 1 52 52 ALA H H 52 8.810 8.810 7.692 1.118 25449 9946 1 20 . 1 1 53 53 PHE N N 53 115.000 115.000 119.789 -4.789 25449 9947 1 20 . 1 1 53 53 PHE HA H 53 5.660 5.660 4.737 0.923 25449 9948 1 20 . 1 1 53 53 PHE C C 53 175.600 175.600 174.703 0.897 25449 9949 1 20 . 1 1 53 53 PHE CA C 53 56.200 56.200 58.316 -2.116 25449 9950 1 20 . 1 1 53 53 PHE CB C 53 42.400 42.400 41.363 1.037 25449 9951 1 20 . 1 1 53 53 PHE H H 53 8.730 8.730 7.964 0.766 25449 9952 1 20 . 1 1 54 54 VAL N N 54 122.300 122.300 121.627 0.673 25449 9953 1 20 . 1 1 54 54 VAL HA H 54 4.100 4.100 4.243 -0.143 25449 9954 1 20 . 1 1 54 54 VAL C C 54 173.000 173.000 174.258 -1.258 25449 9955 1 20 . 1 1 54 54 VAL CA C 54 61.700 61.700 61.559 0.142 25449 9956 1 20 . 1 1 54 54 VAL CB C 54 34.400 34.400 33.659 0.741 25449 9957 1 20 . 1 1 54 54 VAL H H 54 9.060 9.060 8.138 0.922 25449 9958 1 20 . 1 1 55 55 GLU N N 55 127.300 127.300 126.284 1.016 25449 9959 1 20 . 1 1 55 55 GLU HA H 55 5.160 5.160 4.749 0.411 25449 9960 1 20 . 1 1 55 55 GLU C C 55 175.900 175.900 175.610 0.290 25449 9961 1 20 . 1 1 55 55 GLU CA C 55 54.000 54.000 54.884 -0.884 25449 9962 1 20 . 1 1 55 55 GLU CB C 55 31.700 31.700 31.690 0.010 25449 9963 1 20 . 1 1 55 55 GLU H H 55 8.860 8.860 8.217 0.643 25449 9964 1 20 . 1 1 56 56 TYR N N 56 127.500 127.500 123.545 3.955 25449 9965 1 20 . 1 1 56 56 TYR HA H 56 4.520 4.520 4.552 -0.032 25449 9966 1 20 . 1 1 56 56 TYR C C 56 175.000 175.000 176.149 -1.149 25449 9967 1 20 . 1 1 56 56 TYR CA C 56 59.700 59.700 58.839 0.862 25449 9968 1 20 . 1 1 56 56 TYR CB C 56 40.200 40.200 41.170 -0.970 25449 9969 1 20 . 1 1 56 56 TYR H H 56 9.470 9.470 7.963 1.507 25449 9970 1 20 . 1 1 57 57 VAL N N 57 119.200 119.200 120.486 -1.286 25449 9971 1 20 . 1 1 57 57 VAL HA H 57 3.570 3.570 3.989 -0.419 25449 9972 1 20 . 1 1 57 57 VAL C C 57 177.000 177.000 175.364 1.636 25449 9973 1 20 . 1 1 57 57 VAL CA C 57 66.300 66.300 64.807 1.493 25449 9974 1 20 . 1 1 57 57 VAL CB C 57 32.000 32.000 32.478 -0.478 25449 9975 1 20 . 1 1 57 57 VAL H H 57 7.800 7.800 7.977 -0.177 25449 9976 1 20 . 1 1 58 58 GLU N N 58 118.500 118.500 118.462 0.038 25449 9977 1 20 . 1 1 58 58 GLU HA H 58 4.780 4.780 4.560 0.220 25449 9978 1 20 . 1 1 58 58 GLU C C 58 177.500 177.500 176.673 0.827 25449 9979 1 20 . 1 1 58 58 GLU CA C 58 53.800 53.800 55.129 -1.329 25449 9980 1 20 . 1 1 58 58 GLU CB C 58 30.500 30.500 30.421 0.079 25449 9981 1 20 . 1 1 58 58 GLU H H 58 9.530 9.530 8.095 1.435 25449 9982 1 20 . 1 1 59 59 VAL N N 59 125.200 125.200 125.197 0.003 25449 9983 1 20 . 1 1 59 59 VAL HA H 59 3.530 3.530 3.787 -0.257 25449 9984 1 20 . 1 1 59 59 VAL C C 59 177.600 177.600 177.096 0.504 25449 9985 1 20 . 1 1 59 59 VAL CA C 59 66.100 66.100 65.200 0.900 25449 9986 1 20 . 1 1 59 59 VAL CB C 59 31.700 31.700 32.173 -0.473 25449 9987 1 20 . 1 1 59 59 VAL H H 59 8.650 8.650 8.663 -0.013 25449 9988 1 20 . 1 1 60 60 ASP N N 60 118.500 118.500 119.525 -1.025 25449 9989 1 20 . 1 1 60 60 ASP HA H 60 4.220 4.220 4.442 -0.222 25449 9990 1 20 . 1 1 60 60 ASP C C 60 178.300 178.300 177.784 0.516 25449 9991 1 20 . 1 1 60 60 ASP CA C 60 57.600 57.600 57.530 0.070 25449 9992 1 20 . 1 1 60 60 ASP CB C 60 40.500 40.500 40.449 0.051 25449 9993 1 20 . 1 1 60 60 ASP H H 60 8.970 8.970 8.580 0.390 25449 9994 1 20 . 1 1 61 61 ASP N N 61 119.900 119.900 119.895 0.005 25449 9995 1 20 . 1 1 61 61 ASP HA H 61 4.360 4.360 4.461 -0.101 25449 9996 1 20 . 1 1 61 61 ASP C C 61 176.800 176.800 178.289 -1.489 25449 9997 1 20 . 1 1 61 61 ASP CA C 61 56.900 56.900 57.378 -0.478 25449 9998 1 20 . 1 1 61 61 ASP CB C 61 39.800 39.800 40.537 -0.737 25449 9999 1 20 . 1 1 61 61 ASP H H 61 6.920 6.920 8.500 -1.580 25449 10000 1 20 . 1 1 62 62 ALA N N 62 122.700 122.700 122.808 -0.108 25449 10001 1 20 . 1 1 62 62 ALA HA H 62 3.380 3.380 3.076 0.304 25449 10002 1 20 . 1 1 62 62 ALA C C 62 171.600 171.600 179.078 -7.478 25449 10003 1 20 . 1 1 62 62 ALA CA C 62 55.100 55.100 55.190 -0.090 25449 10004 1 20 . 1 1 62 62 ALA CB C 62 18.200 18.200 18.363 -0.163 25449 10005 1 20 . 1 1 62 62 ALA H H 62 6.910 6.910 7.799 -0.889 25449 10006 1 20 . 1 1 63 63 LYS N N 63 116.200 116.200 116.487 -0.287 25449 10007 1 20 . 1 1 63 63 LYS HA H 63 4.190 4.190 3.888 0.302 25449 10008 1 20 . 1 1 63 63 LYS C C 63 179.200 179.200 179.170 0.030 25449 10009 1 20 . 1 1 63 63 LYS CA C 63 59.300 59.300 59.154 0.146 25449 10010 1 20 . 1 1 63 63 LYS CB C 63 32.600 32.600 32.265 0.335 25449 10011 1 20 . 1 1 63 63 LYS H H 63 8.020 8.020 7.479 0.541 25449 10012 1 20 . 1 1 64 64 HIS N N 64 117.400 117.400 117.977 -0.577 25449 10013 1 20 . 1 1 64 64 HIS HA H 64 4.310 4.310 4.444 -0.134 25449 10014 1 20 . 1 1 64 64 HIS CA C 64 58.000 58.000 58.152 -0.152 25449 10015 1 20 . 1 1 64 64 HIS CB C 64 29.100 29.100 30.046 -0.946 25449 10016 1 20 . 1 1 64 64 HIS H H 64 7.460 7.460 7.409 0.051 25449 10017 1 20 . 1 1 65 65 ALA N N 65 123.700 123.700 123.232 0.468 25449 10018 1 20 . 1 1 65 65 ALA HA H 65 2.170 2.170 4.203 -2.033 25449 10019 1 20 . 1 1 65 65 ALA C C 65 178.700 178.700 179.496 -0.796 25449 10020 1 20 . 1 1 65 65 ALA CA C 65 54.800 54.800 54.863 -0.063 25449 10021 1 20 . 1 1 65 65 ALA CB C 65 19.400 19.400 18.517 0.883 25449 10022 1 20 . 1 1 65 65 ALA H H 65 8.190 8.190 7.754 0.436 25449 10023 1 20 . 1 1 66 66 LEU N N 66 119.800 119.800 118.130 1.670 25449 10024 1 20 . 1 1 66 66 LEU HA H 66 3.430 3.430 3.942 -0.512 25449 10025 1 20 . 1 1 66 66 LEU C C 66 178.700 178.700 177.128 1.572 25449 10026 1 20 . 1 1 66 66 LEU CA C 66 59.700 59.700 57.647 2.053 25449 10027 1 20 . 1 1 66 66 LEU CB C 66 41.100 41.100 41.447 -0.347 25449 10028 1 20 . 1 1 66 66 LEU H H 66 8.340 8.340 7.298 1.042 25449 10029 1 20 . 1 1 67 67 TYR N N 67 116.200 116.200 115.198 1.002 25449 10030 1 20 . 1 1 67 67 TYR HA H 67 4.010 4.010 4.312 -0.302 25449 10031 1 20 . 1 1 67 67 TYR C C 67 177.700 177.700 177.973 -0.273 25449 10032 1 20 . 1 1 67 67 TYR CA C 67 60.500 60.500 60.687 -0.187 25449 10033 1 20 . 1 1 67 67 TYR CB C 67 38.100 38.100 38.816 -0.717 25449 10034 1 20 . 1 1 67 67 TYR H H 67 7.760 7.760 7.749 0.011 25449 10035 1 20 . 1 1 68 68 ASN N N 68 113.900 113.900 118.440 -4.540 25449 10036 1 20 . 1 1 68 68 ASN HA H 68 4.430 4.430 4.511 -0.081 25449 10037 1 20 . 1 1 68 68 ASN C C 68 176.400 176.400 176.558 -0.158 25449 10038 1 20 . 1 1 68 68 ASN CA C 68 55.600 55.600 55.618 -0.018 25449 10039 1 20 . 1 1 68 68 ASN CB C 68 41.400 41.400 38.389 3.010 25449 10040 1 20 . 1 1 68 68 ASN H H 68 7.480 7.480 7.857 -0.377 25449 10041 1 20 . 1 1 69 69 MET N N 69 114.900 114.900 118.380 -3.480 25449 10042 1 20 . 1 1 69 69 MET HA H 69 4.760 4.760 4.645 0.115 25449 10043 1 20 . 1 1 69 69 MET C C 69 177.000 177.000 175.878 1.122 25449 10044 1 20 . 1 1 69 69 MET CA C 69 53.500 53.500 54.023 -0.523 25449 10045 1 20 . 1 1 69 69 MET CB C 69 31.100 31.100 30.727 0.372 25449 10046 1 20 . 1 1 69 69 MET H H 69 8.310 8.310 8.165 0.145 25449 10047 1 20 . 1 1 70 70 ASN N N 70 117.700 117.700 117.268 0.432 25449 10048 1 20 . 1 1 70 70 ASN HA H 70 4.370 4.370 4.631 -0.261 25449 10049 1 20 . 1 1 70 70 ASN C C 70 176.400 176.400 175.834 0.566 25449 10050 1 20 . 1 1 70 70 ASN CA C 70 56.100 56.100 54.755 1.345 25449 10051 1 20 . 1 1 70 70 ASN CB C 70 38.700 38.700 38.602 0.098 25449 10052 1 20 . 1 1 70 70 ASN H H 70 7.660 7.660 7.682 -0.022 25449 10053 1 20 . 1 1 71 71 ASN N N 71 121.500 121.500 116.329 5.171 25449 10054 1 20 . 1 1 71 71 ASN HA H 71 4.510 4.510 4.762 -0.252 25449 10055 1 20 . 1 1 71 71 ASN C C 71 173.300 173.300 174.416 -1.116 25449 10056 1 20 . 1 1 71 71 ASN CA C 71 55.800 55.800 53.266 2.534 25449 10057 1 20 . 1 1 71 71 ASN CB C 71 38.200 38.200 38.810 -0.610 25449 10058 1 20 . 1 1 71 71 ASN H H 71 8.600 8.600 7.733 0.867 25449 10059 1 20 . 1 1 72 72 PHE N N 72 122.300 122.300 121.967 0.333 25449 10060 1 20 . 1 1 72 72 PHE HA H 72 4.190 4.190 4.652 -0.462 25449 10061 1 20 . 1 1 72 72 PHE C C 72 174.100 174.100 174.555 -0.455 25449 10062 1 20 . 1 1 72 72 PHE CA C 72 58.700 58.700 55.455 3.245 25449 10063 1 20 . 1 1 72 72 PHE CB C 72 41.300 41.300 39.882 1.418 25449 10064 1 20 . 1 1 72 72 PHE H H 72 7.870 7.870 7.671 0.199 25449 10065 1 20 . 1 1 73 73 GLU N N 73 126.100 126.100 128.316 -2.216 25449 10066 1 20 . 1 1 73 73 GLU HA H 73 4.230 4.230 4.113 0.117 25449 10067 1 20 . 1 1 73 73 GLU C C 73 173.000 173.000 174.371 -1.371 25449 10068 1 20 . 1 1 73 73 GLU CA C 73 55.600 55.600 55.264 0.336 25449 10069 1 20 . 1 1 73 73 GLU CB C 73 30.300 30.300 30.497 -0.197 25449 10070 1 20 . 1 1 73 73 GLU H H 73 7.690 7.690 8.493 -0.803 25449 10071 1 20 . 1 1 74 74 LEU N N 74 128.900 128.900 124.083 4.817 25449 10072 1 20 . 1 1 74 74 LEU HA H 74 4.520 4.520 4.206 0.314 25449 10073 1 20 . 1 1 74 74 LEU C C 74 175.500 175.500 175.721 -0.221 25449 10074 1 20 . 1 1 74 74 LEU CA C 74 53.300 53.300 54.345 -1.045 25449 10075 1 20 . 1 1 74 74 LEU CB C 74 44.600 44.600 43.529 1.071 25449 10076 1 20 . 1 1 74 74 LEU H H 74 8.620 8.620 8.648 -0.028 25449 10077 1 20 . 1 1 75 75 ASN N N 75 126.800 126.800 125.281 1.519 25449 10078 1 20 . 1 1 75 75 ASN HA H 75 4.210 4.210 4.418 -0.208 25449 10079 1 20 . 1 1 75 75 ASN C C 75 175.600 175.600 175.293 0.307 25449 10080 1 20 . 1 1 75 75 ASN CA C 75 53.900 53.900 53.520 0.380 25449 10081 1 20 . 1 1 75 75 ASN CB C 75 36.900 36.900 36.864 0.036 25449 10082 1 20 . 1 1 75 75 ASN H H 75 9.520 9.520 9.210 0.310 25449 10083 1 20 . 1 1 76 76 GLY N N 76 102.300 102.300 102.240 0.060 25449 10084 1 20 . 1 1 76 76 GLY C C 76 173.600 173.600 173.686 -0.086 25449 10085 1 20 . 1 1 76 76 GLY CA C 76 45.300 45.300 45.325 -0.025 25449 10086 1 20 . 1 1 76 76 GLY H H 76 8.500 8.500 8.582 -0.082 25449 10087 1 20 . 1 1 77 77 LYS N N 77 120.800 120.800 118.859 1.941 25449 10088 1 20 . 1 1 77 77 LYS HA H 77 4.570 4.570 4.501 0.069 25449 10089 1 20 . 1 1 77 77 LYS C C 77 175.100 175.100 174.176 0.924 25449 10090 1 20 . 1 1 77 77 LYS CA C 77 54.200 54.200 54.259 -0.059 25449 10091 1 20 . 1 1 77 77 LYS CB C 77 34.500 34.500 35.166 -0.666 25449 10092 1 20 . 1 1 77 77 LYS H H 77 7.580 7.580 7.410 0.170 25449 10093 1 20 . 1 1 78 78 ARG N N 78 123.300 123.300 123.620 -0.320 25449 10094 1 20 . 1 1 78 78 ARG HA H 78 4.480 4.480 4.469 0.011 25449 10095 1 20 . 1 1 78 78 ARG C C 78 176.600 176.600 174.574 2.026 25449 10096 1 20 . 1 1 78 78 ARG CA C 78 55.300 55.300 55.436 -0.136 25449 10097 1 20 . 1 1 78 78 ARG CB C 78 30.300 30.300 30.964 -0.664 25449 10098 1 20 . 1 1 78 78 ARG H H 78 8.580 8.580 8.488 0.092 25449 10099 1 20 . 1 1 79 79 ILE N N 79 120.100 120.100 121.584 -1.484 25449 10100 1 20 . 1 1 79 79 ILE HA H 79 4.700 4.700 4.554 0.146 25449 10101 1 20 . 1 1 79 79 ILE C C 79 175.200 175.200 175.043 0.157 25449 10102 1 20 . 1 1 79 79 ILE CA C 79 60.000 60.000 59.436 0.564 25449 10103 1 20 . 1 1 79 79 ILE CB C 79 39.400 39.400 39.302 0.098 25449 10104 1 20 . 1 1 79 79 ILE H H 79 8.450 8.450 8.213 0.237 25449 10105 1 20 . 1 1 80 80 HIS N N 80 119.900 119.900 125.735 -5.835 25449 10106 1 20 . 1 1 80 80 HIS HA H 80 5.190 5.190 4.355 0.835 25449 10107 1 20 . 1 1 80 80 HIS C C 80 173.600 173.600 174.560 -0.960 25449 10108 1 20 . 1 1 80 80 HIS CA C 80 53.800 53.800 54.503 -0.703 25449 10109 1 20 . 1 1 80 80 HIS CB C 80 31.300 31.300 30.178 1.122 25449 10110 1 20 . 1 1 80 80 HIS H H 80 8.580 8.580 7.854 0.726 25449 10111 1 20 . 1 1 81 81 VAL N N 81 123.800 123.800 125.663 -1.863 25449 10112 1 20 . 1 1 81 81 VAL HA H 81 5.280 5.280 4.392 0.888 25449 10113 1 20 . 1 1 81 81 VAL C C 81 173.600 173.600 175.310 -1.710 25449 10114 1 20 . 1 1 81 81 VAL CA C 81 60.200 60.200 61.059 -0.859 25449 10115 1 20 . 1 1 81 81 VAL CB C 81 35.000 35.000 32.011 2.989 25449 10116 1 20 . 1 1 81 81 VAL H H 81 8.650 8.650 8.385 0.265 25449 10117 1 20 . 1 1 82 82 ASN N N 82 121.100 121.100 123.479 -2.379 25449 10118 1 20 . 1 1 82 82 ASN HA H 82 4.750 4.750 5.065 -0.315 25449 10119 1 20 . 1 1 82 82 ASN C C 82 174.000 174.000 173.760 0.240 25449 10120 1 20 . 1 1 82 82 ASN CA C 82 51.900 51.900 51.495 0.406 25449 10121 1 20 . 1 1 82 82 ASN CB C 82 42.900 42.900 41.291 1.609 25449 10122 1 20 . 1 1 82 82 ASN H H 82 8.890 8.890 8.030 0.860 25449 10123 1 20 . 1 1 83 83 TYR N N 83 120.400 120.400 117.623 2.777 25449 10124 1 20 . 1 1 83 83 TYR HA H 83 4.800 4.800 4.680 0.120 25449 10125 1 20 . 1 1 83 83 TYR C C 83 177.100 177.100 176.050 1.050 25449 10126 1 20 . 1 1 83 83 TYR CA C 83 59.400 59.400 59.926 -0.526 25449 10127 1 20 . 1 1 83 83 TYR CB C 83 38.700 38.700 39.906 -1.206 25449 10128 1 20 . 1 1 83 83 TYR H H 83 8.480 8.480 8.426 0.054 25449 10129 1 20 . 1 1 84 84 SER N N 84 118.000 118.000 112.839 5.161 25449 10130 1 20 . 1 1 84 84 SER HA H 84 4.520 4.520 4.611 -0.091 25449 10131 1 20 . 1 1 84 84 SER C C 84 174.100 174.100 172.798 1.302 25449 10132 1 20 . 1 1 84 84 SER CA C 84 57.700 57.700 57.324 0.376 25449 10133 1 20 . 1 1 84 84 SER CB C 84 64.300 64.300 64.924 -0.624 25449 10134 1 20 . 1 1 84 84 SER H H 84 9.040 9.040 8.607 0.433 25449 10135 1 20 . 1 1 85 85 LYS N N 85 125.300 125.300 122.244 3.056 25449 10136 1 20 . 1 1 85 85 LYS HA H 85 4.440 4.440 4.643 -0.203 25449 10137 1 20 . 1 1 85 85 LYS C C 85 175.600 175.600 176.684 -1.084 25449 10138 1 20 . 1 1 85 85 LYS CA C 85 56.300 56.300 54.672 1.627 25449 10139 1 20 . 1 1 85 85 LYS CB C 85 33.700 33.700 33.738 -0.038 25449 10140 1 20 . 1 1 85 85 LYS H H 85 8.410 8.410 8.372 0.038 25449 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 86 3.137 0.772 3.058 25449 2 1 1 "Average Difference" HA 91 0.389 0.060 0.386 25449 3 1 1 "Average Difference" C 85 1.362 -0.011 1.370 25449 4 1 1 "Average Difference" CA 87 1.115 -0.178 1.107 25449 5 1 1 "Average Difference" CB 82 1.251 -0.061 1.257 25449 6 1 1 "Average Difference" HN 86 0.625 -0.183 0.601 25449 7 1 2 "Average Difference" N 86 3.107 0.397 3.099 25449 8 1 2 "Average Difference" HA 91 0.380 0.068 0.376 25449 9 1 2 "Average Difference" C 85 1.400 -0.035 1.408 25449 10 1 2 "Average Difference" CA 87 1.158 -0.196 1.148 25449 11 1 2 "Average Difference" CB 82 1.280 -0.047 1.287 25449 12 1 2 "Average Difference" HN 86 0.639 -0.208 0.608 25449 13 1 3 "Average Difference" N 86 3.015 0.710 2.947 25449 14 1 3 "Average Difference" HA 91 0.381 0.078 0.375 25449 15 1 3 "Average Difference" C 85 1.429 -0.035 1.437 25449 16 1 3 "Average Difference" CA 87 1.048 -0.281 1.016 25449 17 1 3 "Average Difference" CB 82 1.254 0.028 1.261 25449 18 1 3 "Average Difference" HN 86 0.638 -0.205 0.608 25449 19 1 4 "Average Difference" N 86 3.116 0.711 3.052 25449 20 1 4 "Average Difference" HA 91 0.374 0.061 0.371 25449 21 1 4 "Average Difference" C 85 1.332 -0.010 1.339 25449 22 1 4 "Average Difference" CA 87 1.071 -0.158 1.066 25449 23 1 4 "Average Difference" CB 82 1.249 -0.061 1.255 25449 24 1 4 "Average Difference" HN 86 0.641 -0.206 0.610 25449 25 1 5 "Average Difference" N 86 3.401 0.738 3.340 25449 26 1 5 "Average Difference" HA 91 0.362 0.067 0.358 25449 27 1 5 "Average Difference" C 85 1.363 -0.070 1.369 25449 28 1 5 "Average Difference" CA 87 1.155 -0.232 1.138 25449 29 1 5 "Average Difference" CB 82 1.242 0.088 1.247 25449 30 1 5 "Average Difference" HN 86 0.616 -0.180 0.593 25449 31 1 6 "Average Difference" N 86 3.210 0.718 3.147 25449 32 1 6 "Average Difference" HA 91 0.405 0.072 0.401 25449 33 1 6 "Average Difference" C 85 1.410 -0.023 1.419 25449 34 1 6 "Average Difference" CA 87 1.205 -0.155 1.202 25449 35 1 6 "Average Difference" CB 82 1.280 -0.050 1.287 25449 36 1 6 "Average Difference" HN 86 0.672 -0.226 0.637 25449 37 1 7 "Average Difference" N 86 3.271 0.748 3.203 25449 38 1 7 "Average Difference" HA 91 0.385 0.079 0.379 25449 39 1 7 "Average Difference" C 85 1.352 -0.047 1.359 25449 40 1 7 "Average Difference" CA 87 1.119 -0.217 1.104 25449 41 1 7 "Average Difference" CB 82 1.250 0.004 1.258 25449 42 1 7 "Average Difference" HN 86 0.584 -0.171 0.561 25449 43 1 8 "Average Difference" N 86 3.349 0.832 3.263 25449 44 1 8 "Average Difference" HA 91 0.383 0.055 0.381 25449 45 1 8 "Average Difference" C 85 1.320 -0.020 1.328 25449 46 1 8 "Average Difference" CA 87 1.111 -0.151 1.107 25449 47 1 8 "Average Difference" CB 82 1.302 -0.038 1.309 25449 48 1 8 "Average Difference" HN 86 0.576 -0.169 0.554 25449 49 1 9 "Average Difference" N 86 3.186 0.678 3.131 25449 50 1 9 "Average Difference" HA 91 0.378 0.049 0.377 25449 51 1 9 "Average Difference" C 85 1.372 0.036 1.380 25449 52 1 9 "Average Difference" CA 87 1.070 -0.105 1.071 25449 53 1 9 "Average Difference" CB 82 1.251 -0.047 1.258 25449 54 1 9 "Average Difference" HN 86 0.640 -0.209 0.608 25449 55 1 10 "Average Difference" N 86 3.547 0.650 3.507 25449 56 1 10 "Average Difference" HA 91 0.383 0.050 0.381 25449 57 1 10 "Average Difference" C 85 1.346 -0.011 1.354 25449 58 1 10 "Average Difference" CA 87 1.063 -0.123 1.062 25449 59 1 10 "Average Difference" CB 82 1.249 0.040 1.256 25449 60 1 10 "Average Difference" HN 86 0.590 -0.170 0.568 25449 61 1 11 "Average Difference" N 86 3.039 0.434 3.025 25449 62 1 11 "Average Difference" HA 91 0.395 0.076 0.390 25449 63 1 11 "Average Difference" C 85 1.311 -0.042 1.318 25449 64 1 11 "Average Difference" CA 87 1.077 -0.128 1.075 25449 65 1 11 "Average Difference" CB 82 1.279 0.042 1.286 25449 66 1 11 "Average Difference" HN 86 0.666 -0.203 0.638 25449 67 1 12 "Average Difference" N 86 3.162 0.503 3.140 25449 68 1 12 "Average Difference" HA 91 0.379 0.068 0.375 25449 69 1 12 "Average Difference" C 85 1.351 0.027 1.359 25449 70 1 12 "Average Difference" CA 87 1.173 -0.142 1.171 25449 71 1 12 "Average Difference" CB 82 1.199 -0.035 1.206 25449 72 1 12 "Average Difference" HN 86 0.653 -0.189 0.629 25449 73 1 13 "Average Difference" N 86 3.258 0.645 3.212 25449 74 1 13 "Average Difference" HA 91 0.381 0.055 0.379 25449 75 1 13 "Average Difference" C 85 1.341 0.061 1.348 25449 76 1 13 "Average Difference" CA 87 1.166 -0.055 1.172 25449 77 1 13 "Average Difference" CB 82 1.294 -0.067 1.300 25449 78 1 13 "Average Difference" HN 86 0.617 -0.170 0.597 25449 79 1 14 "Average Difference" N 86 3.247 0.631 3.204 25449 80 1 14 "Average Difference" HA 91 0.407 0.058 0.405 25449 81 1 14 "Average Difference" C 85 1.342 0.035 1.350 25449 82 1 14 "Average Difference" CA 87 1.076 -0.084 1.079 25449 83 1 14 "Average Difference" CB 82 1.314 -0.017 1.322 25449 84 1 14 "Average Difference" HN 86 0.616 -0.210 0.582 25449 85 1 15 "Average Difference" N 86 3.676 0.551 3.656 25449 86 1 15 "Average Difference" HA 91 0.359 0.040 0.359 25449 87 1 15 "Average Difference" C 85 1.311 -0.027 1.318 25449 88 1 15 "Average Difference" CA 87 1.094 -0.090 1.096 25449 89 1 15 "Average Difference" CB 82 1.247 0.051 1.254 25449 90 1 15 "Average Difference" HN 86 0.645 -0.195 0.618 25449 91 1 16 "Average Difference" N 86 3.325 0.373 3.324 25449 92 1 16 "Average Difference" HA 91 0.398 0.080 0.392 25449 93 1 16 "Average Difference" C 85 1.360 -0.059 1.367 25449 94 1 16 "Average Difference" CA 87 1.133 -0.144 1.131 25449 95 1 16 "Average Difference" CB 82 1.290 0.078 1.295 25449 96 1 16 "Average Difference" HN 86 0.619 -0.202 0.588 25449 97 1 17 "Average Difference" N 86 3.416 0.524 3.395 25449 98 1 17 "Average Difference" HA 91 0.386 0.065 0.383 25449 99 1 17 "Average Difference" C 85 1.353 -0.025 1.361 25449 100 1 17 "Average Difference" CA 87 1.071 -0.187 1.061 25449 101 1 17 "Average Difference" CB 82 1.297 0.041 1.304 25449 102 1 17 "Average Difference" HN 86 0.633 -0.223 0.596 25449 103 1 18 "Average Difference" N 86 3.407 0.686 3.357 25449 104 1 18 "Average Difference" HA 91 0.387 0.068 0.383 25449 105 1 18 "Average Difference" C 85 1.404 -0.030 1.412 25449 106 1 18 "Average Difference" CA 87 1.057 -0.168 1.050 25449 107 1 18 "Average Difference" CB 82 1.242 0.054 1.249 25449 108 1 18 "Average Difference" HN 86 0.642 -0.180 0.619 25449 109 1 19 "Average Difference" N 86 3.333 0.637 3.291 25449 110 1 19 "Average Difference" HA 91 0.375 0.055 0.373 25449 111 1 19 "Average Difference" C 85 1.394 0.048 1.401 25449 112 1 19 "Average Difference" CA 87 1.049 -0.180 1.040 25449 113 1 19 "Average Difference" CB 82 1.260 0.034 1.267 25449 114 1 19 "Average Difference" HN 86 0.594 -0.178 0.570 25449 115 1 20 "Average Difference" N 86 3.262 0.289 3.268 25449 116 1 20 "Average Difference" HA 91 0.440 0.054 0.439 25449 117 1 20 "Average Difference" C 85 1.433 -0.009 1.441 25449 118 1 20 "Average Difference" CA 87 1.121 -0.193 1.111 25449 119 1 20 "Average Difference" CB 82 1.248 -0.013 1.256 25449 120 1 20 "Average Difference" HN 86 0.647 -0.220 0.612 25449 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 25449 _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 -1 -1 SER N N -1 115.600 115.600 116.230 -0.630 25449 2 1 . 1 1 -1 -1 SER HA H -1 4.410 4.410 4.605 -0.195 25449 3 1 . 1 1 -1 -1 SER C C -1 172.000 172.000 173.836 -1.836 25449 4 1 . 1 1 -1 -1 SER CA C -1 58.200 58.200 58.191 0.009 25449 5 1 . 1 1 -1 -1 SER CB C -1 63.900 63.900 64.554 -0.654 25449 6 1 . 1 1 -1 -1 SER H H -1 8.670 8.670 8.481 0.189 25449 7 1 . 1 1 0 0 HIS N N 0 121.200 121.200 120.060 1.140 25449 8 1 . 1 1 0 0 HIS HA H 0 4.590 4.590 4.527 0.063 25449 9 1 . 1 1 0 0 HIS C C 0 174.800 174.800 174.049 0.751 25449 10 1 . 1 1 0 0 HIS CA C 0 56.100 56.100 56.370 -0.270 25449 11 1 . 1 1 0 0 HIS CB C 0 29.900 29.900 30.351 -0.451 25449 12 1 . 1 1 0 0 HIS H H 0 8.730 8.730 8.351 0.380 25449 13 1 . 1 1 1 1 MET N N 1 121.800 121.800 121.905 -0.105 25449 14 1 . 1 1 1 1 MET HA H 1 4.370 4.370 4.579 -0.209 25449 15 1 . 1 1 1 1 MET C C 1 176.300 176.300 175.446 0.855 25449 16 1 . 1 1 1 1 MET CA C 1 55.700 55.700 55.063 0.638 25449 17 1 . 1 1 1 1 MET CB C 1 32.800 32.800 33.273 -0.473 25449 18 1 . 1 1 1 1 MET H H 1 8.450 8.450 8.287 0.164 25449 19 1 . 1 1 2 2 SER N N 2 116.700 116.700 118.260 -1.560 25449 20 1 . 1 1 2 2 SER HA H 2 4.370 4.370 4.569 -0.199 25449 21 1 . 1 1 2 2 SER C C 2 174.200 174.200 173.685 0.515 25449 22 1 . 1 1 2 2 SER CA C 2 58.400 58.400 58.251 0.149 25449 23 1 . 1 1 2 2 SER CB C 2 63.800 63.800 63.967 -0.167 25449 24 1 . 1 1 2 2 SER H H 2 8.410 8.410 8.313 0.097 25449 25 1 . 1 1 3 3 ASP N N 3 122.100 122.100 123.593 -1.493 25449 26 1 . 1 1 3 3 ASP HA H 3 4.550 4.550 4.696 -0.146 25449 27 1 . 1 1 3 3 ASP C C 3 176.100 176.100 175.091 1.009 25449 28 1 . 1 1 3 3 ASP CA C 3 54.500 54.500 54.587 -0.088 25449 29 1 . 1 1 3 3 ASP CB C 3 41.200 41.200 41.222 -0.022 25449 30 1 . 1 1 3 3 ASP H H 3 8.340 8.340 8.595 -0.255 25449 31 1 . 1 1 4 4 ASN N N 4 119.100 119.100 118.109 0.991 25449 32 1 . 1 1 4 4 ASN HA H 4 4.580 4.580 4.706 -0.126 25449 33 1 . 1 1 4 4 ASN C C 4 174.900 174.900 174.401 0.499 25449 34 1 . 1 1 4 4 ASN CA C 4 53.700 53.700 52.746 0.954 25449 35 1 . 1 1 4 4 ASN CB C 4 38.900 38.900 39.451 -0.551 25449 36 1 . 1 1 4 4 ASN H H 4 8.420 8.420 7.968 0.452 25449 37 1 . 1 1 5 5 ASN N N 5 118.400 118.400 118.059 0.341 25449 38 1 . 1 1 5 5 ASN HA H 5 4.540 4.540 4.572 -0.032 25449 39 1 . 1 1 5 5 ASN C C 5 173.900 173.900 174.621 -0.721 25449 40 1 . 1 1 5 5 ASN CA C 5 53.200 53.200 53.188 0.013 25449 41 1 . 1 1 5 5 ASN CB C 5 38.700 38.700 38.400 0.300 25449 42 1 . 1 1 5 5 ASN H H 5 8.340 8.340 8.496 -0.156 25449 43 1 . 1 1 6 6 ALA N N 6 122.100 122.100 121.280 0.820 25449 44 1 . 1 1 6 6 ALA HA H 6 2.740 2.740 3.895 -1.155 25449 45 1 . 1 1 6 6 ALA C C 6 177.000 177.000 176.457 0.543 25449 46 1 . 1 1 6 6 ALA CA C 6 52.300 52.300 52.495 -0.195 25449 47 1 . 1 1 6 6 ALA CB C 6 20.000 20.000 18.599 1.401 25449 48 1 . 1 1 6 6 ALA H H 6 7.590 7.590 7.439 0.151 25449 49 1 . 1 1 7 7 THR N N 7 112.700 112.700 117.970 -5.270 25449 50 1 . 1 1 7 7 THR HA H 7 4.390 4.390 4.410 -0.020 25449 51 1 . 1 1 7 7 THR C C 7 171.700 171.700 175.084 -3.384 25449 52 1 . 1 1 7 7 THR CA C 7 59.800 59.800 61.225 -1.425 25449 53 1 . 1 1 7 7 THR CB C 7 70.600 70.600 70.332 0.268 25449 54 1 . 1 1 7 7 THR H H 7 6.840 6.840 7.949 -1.109 25449 55 1 . 1 1 8 8 ASP N N 8 114.600 114.600 122.629 -8.029 25449 56 1 . 1 1 8 8 ASP HA H 8 4.490 4.490 4.301 0.189 25449 57 1 . 1 1 8 8 ASP C C 8 174.300 174.300 174.384 -0.084 25449 58 1 . 1 1 8 8 ASP CA C 8 53.500 53.500 55.782 -2.282 25449 59 1 . 1 1 8 8 ASP CB C 8 39.800 39.800 40.125 -0.325 25449 60 1 . 1 1 8 8 ASP H H 8 8.170 8.170 8.782 -0.612 25449 61 1 . 1 1 9 9 ILE N N 9 117.800 117.800 118.677 -0.877 25449 62 1 . 1 1 9 9 ILE HA H 9 4.810 4.810 4.823 -0.013 25449 63 1 . 1 1 9 9 ILE C C 9 174.700 174.700 174.229 0.471 25449 64 1 . 1 1 9 9 ILE CA C 9 60.600 60.600 60.345 0.255 25449 65 1 . 1 1 9 9 ILE CB C 9 40.300 40.300 40.420 -0.120 25449 66 1 . 1 1 9 9 ILE H H 9 7.890 7.890 7.476 0.414 25449 67 1 . 1 1 10 10 LEU N N 10 125.300 125.300 127.125 -1.825 25449 68 1 . 1 1 10 10 LEU HA H 10 4.960 4.960 4.844 0.116 25449 69 1 . 1 1 10 10 LEU C C 10 176.100 176.100 175.126 0.974 25449 70 1 . 1 1 10 10 LEU CA C 10 52.900 52.900 54.074 -1.174 25449 71 1 . 1 1 10 10 LEU CB C 10 43.100 43.100 44.801 -1.701 25449 72 1 . 1 1 10 10 LEU H H 10 9.370 9.370 8.260 1.110 25449 73 1 . 1 1 11 11 PHE N N 11 124.300 124.300 127.214 -2.914 25449 74 1 . 1 1 11 11 PHE HA H 11 4.670 4.670 4.764 -0.094 25449 75 1 . 1 1 11 11 PHE C C 11 173.400 173.400 173.901 -0.500 25449 76 1 . 1 1 11 11 PHE CA C 11 57.000 57.000 57.217 -0.217 25449 77 1 . 1 1 11 11 PHE CB C 11 40.700 40.700 40.427 0.273 25449 78 1 . 1 1 11 11 PHE H H 11 9.310 9.310 8.495 0.815 25449 79 1 . 1 1 12 12 VAL N N 12 128.300 128.300 126.574 1.726 25449 80 1 . 1 1 12 12 VAL HA H 12 4.420 4.420 4.383 0.037 25449 81 1 . 1 1 12 12 VAL C C 12 173.900 173.900 174.814 -0.914 25449 82 1 . 1 1 12 12 VAL CA C 12 60.200 60.200 60.357 -0.157 25449 83 1 . 1 1 12 12 VAL CB C 12 33.100 33.100 33.506 -0.406 25449 84 1 . 1 1 12 12 VAL H H 12 8.380 8.380 7.735 0.645 25449 85 1 . 1 1 13 13 GLY N N 13 111.800 111.800 111.676 0.124 25449 86 1 . 1 1 13 13 GLY C C 13 173.800 173.800 173.591 0.209 25449 87 1 . 1 1 13 13 GLY CA C 13 43.400 43.400 43.462 -0.062 25449 88 1 . 1 1 13 13 GLY H H 13 9.150 9.150 7.950 1.200 25449 89 1 . 1 1 14 14 GLY N N 14 107.600 107.600 107.895 -0.295 25449 90 1 . 1 1 14 14 GLY C C 14 175.400 175.400 173.846 1.554 25449 91 1 . 1 1 14 14 GLY CA C 14 45.800 45.800 44.842 0.958 25449 92 1 . 1 1 14 14 GLY H H 14 8.260 8.260 8.270 -0.010 25449 93 1 . 1 1 15 15 ILE N N 15 111.100 111.100 118.932 -7.832 25449 94 1 . 1 1 15 15 ILE HA H 15 4.040 4.040 4.334 -0.294 25449 95 1 . 1 1 15 15 ILE C C 15 175.500 175.500 175.099 0.401 25449 96 1 . 1 1 15 15 ILE CA C 15 60.500 60.500 58.941 1.559 25449 97 1 . 1 1 15 15 ILE CB C 15 38.500 38.500 39.733 -1.233 25449 98 1 . 1 1 15 15 ILE H H 15 6.930 6.930 7.501 -0.571 25449 99 1 . 1 1 16 16 ASP N N 16 122.800 122.800 121.988 0.812 25449 100 1 . 1 1 16 16 ASP HA H 16 4.580 4.580 4.532 0.048 25449 101 1 . 1 1 16 16 ASP C C 16 177.200 177.200 176.826 0.374 25449 102 1 . 1 1 16 16 ASP CA C 16 53.700 53.700 53.955 -0.255 25449 103 1 . 1 1 16 16 ASP CB C 16 42.500 42.500 42.489 0.011 25449 104 1 . 1 1 16 16 ASP H H 16 8.320 8.320 8.595 -0.275 25449 105 1 . 1 1 17 17 GLU N N 17 119.600 119.600 118.948 0.652 25449 106 1 . 1 1 17 17 GLU HA H 17 4.140 4.140 4.221 -0.081 25449 107 1 . 1 1 17 17 GLU C C 17 176.800 176.800 176.363 0.437 25449 108 1 . 1 1 17 17 GLU CA C 17 58.600 58.600 57.362 1.238 25449 109 1 . 1 1 17 17 GLU CB C 17 29.800 29.800 29.039 0.761 25449 110 1 . 1 1 17 17 GLU H H 17 8.830 8.830 8.709 0.121 25449 111 1 . 1 1 18 18 THR N N 18 111.300 111.300 114.829 -3.529 25449 112 1 . 1 1 18 18 THR HA H 18 4.250 4.250 4.488 -0.238 25449 113 1 . 1 1 18 18 THR C C 18 175.200 175.200 174.199 1.001 25449 114 1 . 1 1 18 18 THR CA C 18 62.600 62.600 61.299 1.301 25449 115 1 . 1 1 18 18 THR CB C 18 69.600 69.600 69.191 0.409 25449 116 1 . 1 1 18 18 THR H H 18 8.740 8.740 7.780 0.960 25449 117 1 . 1 1 19 19 ILE N N 19 123.300 123.300 118.832 4.468 25449 118 1 . 1 1 19 19 ILE HA H 19 3.880 3.880 4.396 -0.516 25449 119 1 . 1 1 19 19 ILE C C 19 174.300 174.300 174.348 -0.048 25449 120 1 . 1 1 19 19 ILE CA C 19 59.900 59.900 58.694 1.206 25449 121 1 . 1 1 19 19 ILE CB C 19 35.600 35.600 38.834 -3.234 25449 122 1 . 1 1 19 19 ILE H H 19 7.220 7.220 7.407 -0.187 25449 123 1 . 1 1 20 20 ASP N N 20 125.600 125.600 122.693 2.907 25449 124 1 . 1 1 20 20 ASP HA H 20 4.640 4.640 4.805 -0.165 25449 125 1 . 1 1 20 20 ASP C C 20 175.300 175.300 176.747 -1.447 25449 126 1 . 1 1 20 20 ASP CA C 20 51.500 51.500 53.097 -1.597 25449 127 1 . 1 1 20 20 ASP CB C 20 43.000 43.000 43.668 -0.668 25449 128 1 . 1 1 20 20 ASP H H 20 7.790 7.790 8.155 -0.365 25449 129 1 . 1 1 21 21 GLU N N 21 118.400 118.400 121.478 -3.078 25449 130 1 . 1 1 21 21 GLU HA H 21 3.630 3.630 3.967 -0.337 25449 131 1 . 1 1 21 21 GLU C C 21 177.900 177.900 178.179 -0.279 25449 132 1 . 1 1 21 21 GLU CA C 21 60.900 60.900 60.172 0.729 25449 133 1 . 1 1 21 21 GLU CB C 21 29.200 29.200 29.738 -0.538 25449 134 1 . 1 1 21 21 GLU H H 21 9.220 9.220 8.896 0.324 25449 135 1 . 1 1 22 22 LYS N N 22 119.700 119.700 117.568 2.132 25449 136 1 . 1 1 22 22 LYS HA H 22 4.060 4.060 4.199 -0.139 25449 137 1 . 1 1 22 22 LYS C C 22 178.500 178.500 178.758 -0.258 25449 138 1 . 1 1 22 22 LYS CA C 22 59.300 59.300 58.798 0.502 25449 139 1 . 1 1 22 22 LYS CB C 22 31.800 31.800 31.625 0.175 25449 140 1 . 1 1 22 22 LYS H H 22 8.040 8.040 8.431 -0.391 25449 141 1 . 1 1 23 23 SER N N 23 114.900 114.900 116.481 -1.581 25449 142 1 . 1 1 23 23 SER HA H 23 4.300 4.300 4.285 0.015 25449 143 1 . 1 1 23 23 SER C C 23 177.600 177.600 176.341 1.259 25449 144 1 . 1 1 23 23 SER CA C 23 61.800 61.800 61.312 0.488 25449 145 1 . 1 1 23 23 SER CB C 23 62.900 62.900 62.650 0.251 25449 146 1 . 1 1 23 23 SER H H 23 8.240 8.240 8.110 0.130 25449 147 1 . 1 1 24 24 LEU N N 24 118.800 118.800 121.282 -2.482 25449 148 1 . 1 1 24 24 LEU HA H 24 4.180 4.180 4.226 -0.046 25449 149 1 . 1 1 24 24 LEU C C 24 178.700 178.700 178.764 -0.064 25449 150 1 . 1 1 24 24 LEU CA C 24 57.300 57.300 56.750 0.550 25449 151 1 . 1 1 24 24 LEU CB C 24 42.100 42.100 41.581 0.519 25449 152 1 . 1 1 24 24 LEU H H 24 7.750 7.750 7.489 0.261 25449 153 1 . 1 1 25 25 TYR N N 25 123.200 123.200 121.044 2.156 25449 154 1 . 1 1 25 25 TYR HA H 25 3.630 3.630 4.085 -0.455 25449 155 1 . 1 1 25 25 TYR C C 25 178.600 178.600 177.172 1.428 25449 156 1 . 1 1 25 25 TYR CA C 25 63.200 63.200 61.082 2.118 25449 157 1 . 1 1 25 25 TYR CB C 25 38.200 38.200 38.557 -0.357 25449 158 1 . 1 1 25 25 TYR H H 25 8.970 8.970 7.536 1.434 25449 159 1 . 1 1 26 26 ASP N N 26 119.800 119.800 118.672 1.128 25449 160 1 . 1 1 26 26 ASP HA H 26 4.270 4.270 4.519 -0.249 25449 161 1 . 1 1 26 26 ASP C C 26 177.900 177.900 178.541 -0.641 25449 162 1 . 1 1 26 26 ASP CA C 26 57.700 57.700 57.572 0.129 25449 163 1 . 1 1 26 26 ASP CB C 26 40.000 40.000 41.101 -1.101 25449 164 1 . 1 1 26 26 ASP H H 26 8.510 8.510 7.801 0.709 25449 165 1 . 1 1 27 27 ILE N N 27 114.700 114.700 119.291 -4.591 25449 166 1 . 1 1 27 27 ILE HA H 27 3.960 3.960 3.886 0.074 25449 167 1 . 1 1 27 27 ILE C C 27 177.700 177.700 177.827 -0.127 25449 168 1 . 1 1 27 27 ILE CA C 27 63.300 63.300 64.799 -1.499 25449 169 1 . 1 1 27 27 ILE CB C 27 39.000 39.000 38.335 0.665 25449 170 1 . 1 1 27 27 ILE H H 27 7.320 7.320 7.621 -0.301 25449 171 1 . 1 1 28 28 PHE N N 28 116.900 116.900 116.751 0.149 25449 172 1 . 1 1 28 28 PHE HA H 28 4.370 4.370 4.549 -0.179 25449 173 1 . 1 1 28 28 PHE C C 28 179.900 179.900 176.774 3.126 25449 174 1 . 1 1 28 28 PHE CA C 28 62.300 62.300 59.000 3.301 25449 175 1 . 1 1 28 28 PHE CB C 28 37.300 37.300 38.701 -1.401 25449 176 1 . 1 1 28 28 PHE H H 28 8.650 8.650 8.125 0.525 25449 177 1 . 1 1 29 29 SER N N 29 120.100 120.100 112.655 7.445 25449 178 1 . 1 1 29 29 SER HA H 29 4.410 4.410 4.694 -0.284 25449 179 1 . 1 1 29 29 SER C C 29 175.600 175.600 175.432 0.168 25449 180 1 . 1 1 29 29 SER CA C 29 61.300 61.300 59.234 2.066 25449 181 1 . 1 1 29 29 SER CB C 29 62.200 62.200 63.155 -0.955 25449 182 1 . 1 1 29 29 SER H H 29 8.880 8.880 7.707 1.173 25449 183 1 . 1 1 30 30 SER N N 30 116.200 116.200 117.335 -1.135 25449 184 1 . 1 1 30 30 SER HA H 30 3.940 3.940 4.282 -0.342 25449 185 1 . 1 1 30 30 SER C C 30 174.900 174.900 175.552 -0.652 25449 186 1 . 1 1 30 30 SER CA C 30 60.400 60.400 60.762 -0.361 25449 187 1 . 1 1 30 30 SER CB C 30 62.400 62.400 63.207 -0.807 25449 188 1 . 1 1 30 30 SER H H 30 7.270 7.270 7.986 -0.716 25449 189 1 . 1 1 31 31 PHE N N 31 115.600 115.600 121.593 -5.994 25449 190 1 . 1 1 31 31 PHE HA H 31 4.280 4.280 4.591 -0.311 25449 191 1 . 1 1 31 31 PHE C C 31 174.100 174.100 176.240 -2.140 25449 192 1 . 1 1 31 31 PHE CA C 31 58.900 58.900 59.096 -0.196 25449 193 1 . 1 1 31 31 PHE CB C 31 39.300 39.300 40.257 -0.957 25449 194 1 . 1 1 31 31 PHE H H 31 6.980 6.980 7.924 -0.944 25449 195 1 . 1 1 32 32 GLY N N 32 104.900 104.900 107.221 -2.322 25449 196 1 . 1 1 32 32 GLY C C 32 171.600 171.600 172.739 -1.139 25449 197 1 . 1 1 32 32 GLY CA C 32 44.300 44.300 44.484 -0.184 25449 198 1 . 1 1 32 32 GLY H H 32 7.300 7.300 7.625 -0.325 25449 199 1 . 1 1 33 33 ASP N N 33 116.100 116.100 126.117 -10.017 25449 200 1 . 1 1 33 33 ASP HA H 33 4.510 4.510 4.503 0.007 25449 201 1 . 1 1 33 33 ASP C C 33 176.800 176.800 174.614 2.186 25449 202 1 . 1 1 33 33 ASP CA C 33 55.400 55.400 55.510 -0.110 25449 203 1 . 1 1 33 33 ASP CB C 33 40.600 40.600 42.239 -1.639 25449 204 1 . 1 1 33 33 ASP H H 33 8.120 8.120 8.423 -0.303 25449 205 1 . 1 1 34 34 ILE N N 34 126.400 126.400 119.071 7.329 25449 206 1 . 1 1 34 34 ILE HA H 34 3.850 3.850 4.109 -0.259 25449 207 1 . 1 1 34 34 ILE C C 34 176.200 176.200 176.202 -0.002 25449 208 1 . 1 1 34 34 ILE CA C 34 60.200 60.200 58.288 1.912 25449 209 1 . 1 1 34 34 ILE CB C 34 39.900 39.900 39.166 0.734 25449 210 1 . 1 1 34 34 ILE H H 34 8.670 8.670 8.093 0.577 25449 211 1 . 1 1 35 35 ARG N N 35 128.900 128.900 126.397 2.503 25449 212 1 . 1 1 35 35 ARG HA H 35 4.160 4.160 4.188 -0.029 25449 213 1 . 1 1 35 35 ARG C C 35 175.600 175.600 176.143 -0.543 25449 214 1 . 1 1 35 35 ARG CA C 35 57.500 57.500 57.927 -0.427 25449 215 1 . 1 1 35 35 ARG CB C 35 31.700 31.700 31.109 0.591 25449 216 1 . 1 1 35 35 ARG H H 35 9.320 9.320 8.468 0.852 25449 217 1 . 1 1 36 36 ASN N N 36 114.300 114.300 114.628 -0.329 25449 218 1 . 1 1 36 36 ASN HA H 36 4.710 4.710 4.796 -0.087 25449 219 1 . 1 1 36 36 ASN C C 36 172.000 172.000 172.878 -0.878 25449 220 1 . 1 1 36 36 ASN CA C 36 53.500 53.500 53.221 0.279 25449 221 1 . 1 1 36 36 ASN CB C 36 42.600 42.600 40.646 1.954 25449 222 1 . 1 1 36 36 ASN H H 36 7.620 7.620 8.083 -0.463 25449 223 1 . 1 1 37 37 ILE N N 37 122.700 122.700 122.428 0.272 25449 224 1 . 1 1 37 37 ILE HA H 37 4.770 4.770 4.409 0.361 25449 225 1 . 1 1 37 37 ILE C C 37 173.300 173.300 174.519 -1.219 25449 226 1 . 1 1 37 37 ILE CA C 37 60.600 60.600 61.161 -0.561 25449 227 1 . 1 1 37 37 ILE CB C 37 41.200 41.200 40.539 0.661 25449 228 1 . 1 1 37 37 ILE H H 37 8.030 8.030 8.495 -0.465 25449 229 1 . 1 1 38 38 GLU N N 38 126.700 126.700 128.953 -2.253 25449 230 1 . 1 1 38 38 GLU HA H 38 4.660 4.660 4.654 0.006 25449 231 1 . 1 1 38 38 GLU C C 38 174.800 174.800 174.292 0.508 25449 232 1 . 1 1 38 38 GLU CA C 38 54.400 54.400 55.540 -1.140 25449 233 1 . 1 1 38 38 GLU CB C 38 33.400 33.400 31.218 2.182 25449 234 1 . 1 1 38 38 GLU H H 38 8.870 8.870 8.567 0.303 25449 235 1 . 1 1 39 39 VAL N N 39 126.400 126.400 126.870 -0.470 25449 236 1 . 1 1 39 39 VAL CA C 39 58.700 58.700 58.740 -0.040 25449 237 1 . 1 1 39 39 VAL CB C 39 32.600 32.600 33.253 -0.653 25449 238 1 . 1 1 39 39 VAL H H 39 8.970 8.970 8.365 0.605 25449 239 1 . 1 1 40 40 PRO HA H 40 4.230 4.230 4.402 -0.172 25449 240 1 . 1 1 40 40 PRO C C 40 176.300 176.300 175.247 1.053 25449 241 1 . 1 1 40 40 PRO CA C 40 63.300 63.300 62.874 0.426 25449 242 1 . 1 1 40 40 PRO CB C 40 32.500 32.500 32.163 0.337 25449 243 1 . 1 1 41 41 LEU N N 41 120.700 120.700 123.303 -2.603 25449 244 1 . 1 1 41 41 LEU HA H 41 4.520 4.520 4.626 -0.106 25449 245 1 . 1 1 41 41 LEU C C 41 177.900 177.900 175.838 2.062 25449 246 1 . 1 1 41 41 LEU CA C 41 53.100 53.100 53.351 -0.251 25449 247 1 . 1 1 41 41 LEU CB C 41 44.300 44.300 45.187 -0.887 25449 248 1 . 1 1 41 41 LEU H H 41 8.520 8.520 8.185 0.335 25449 249 1 . 1 1 42 42 ASN N N 42 121.400 121.400 122.049 -0.649 25449 250 1 . 1 1 42 42 ASN HA H 42 4.560 4.560 4.899 -0.340 25449 251 1 . 1 1 42 42 ASN C C 42 176.700 176.700 176.238 0.462 25449 252 1 . 1 1 42 42 ASN CA C 42 52.900 52.900 52.453 0.447 25449 253 1 . 1 1 42 42 ASN CB C 42 39.000 39.000 40.123 -1.124 25449 254 1 . 1 1 42 42 ASN H H 42 8.740 8.740 8.365 0.375 25449 255 1 . 1 1 43 43 MET N N 43 125.500 125.500 124.092 1.408 25449 256 1 . 1 1 43 43 MET HA H 43 4.210 4.210 4.407 -0.197 25449 257 1 . 1 1 43 43 MET C C 43 177.200 177.200 176.624 0.576 25449 258 1 . 1 1 43 43 MET CA C 43 57.100 57.100 57.263 -0.163 25449 259 1 . 1 1 43 43 MET CB C 43 31.600 31.600 32.259 -0.659 25449 260 1 . 1 1 43 43 MET H H 43 9.080 9.080 8.923 0.157 25449 261 1 . 1 1 44 44 THR N N 44 114.400 114.400 113.914 0.486 25449 262 1 . 1 1 44 44 THR HA H 44 4.160 4.160 4.321 -0.161 25449 263 1 . 1 1 44 44 THR C C 44 175.900 175.900 175.797 0.103 25449 264 1 . 1 1 44 44 THR CA C 44 65.200 65.200 64.677 0.523 25449 265 1 . 1 1 44 44 THR CB C 44 68.700 68.700 69.195 -0.495 25449 266 1 . 1 1 44 44 THR H H 44 8.590 8.590 7.982 0.608 25449 267 1 . 1 1 45 45 THR N N 45 110.300 110.300 113.733 -3.433 25449 268 1 . 1 1 45 45 THR HA H 45 4.160 4.160 4.407 -0.247 25449 269 1 . 1 1 45 45 THR C C 45 175.500 175.500 173.713 1.787 25449 270 1 . 1 1 45 45 THR CA C 45 62.000 62.000 61.392 0.608 25449 271 1 . 1 1 45 45 THR CB C 45 70.000 70.000 69.671 0.329 25449 272 1 . 1 1 45 45 THR H H 45 7.610 7.610 7.685 -0.075 25449 273 1 . 1 1 46 46 LYS N N 46 115.700 115.700 121.122 -5.422 25449 274 1 . 1 1 46 46 LYS HA H 46 3.720 3.720 3.923 -0.203 25449 275 1 . 1 1 46 46 LYS C C 46 174.600 174.600 174.358 0.242 25449 276 1 . 1 1 46 46 LYS CA C 46 57.600 57.600 57.362 0.238 25449 277 1 . 1 1 46 46 LYS CB C 46 28.900 28.900 30.867 -1.967 25449 278 1 . 1 1 46 46 LYS H H 46 8.460 8.460 8.050 0.410 25449 279 1 . 1 1 47 47 LYS N N 47 117.100 117.100 119.104 -2.004 25449 280 1 . 1 1 47 47 LYS HA H 47 4.680 4.680 4.425 0.255 25449 281 1 . 1 1 47 47 LYS C C 47 176.300 176.300 176.726 -0.426 25449 282 1 . 1 1 47 47 LYS CA C 47 54.000 54.000 54.911 -0.911 25449 283 1 . 1 1 47 47 LYS CB C 47 35.100 35.100 33.735 1.365 25449 284 1 . 1 1 47 47 LYS H H 47 7.610 7.610 7.765 -0.155 25449 285 1 . 1 1 48 48 ASN N N 48 117.700 117.700 120.240 -2.540 25449 286 1 . 1 1 48 48 ASN HA H 48 4.700 4.700 4.792 -0.092 25449 287 1 . 1 1 48 48 ASN C C 48 174.000 174.000 175.494 -1.494 25449 288 1 . 1 1 48 48 ASN CA C 48 53.600 53.600 52.553 1.047 25449 289 1 . 1 1 48 48 ASN CB C 48 37.700 37.700 39.117 -1.417 25449 290 1 . 1 1 48 48 ASN H H 48 8.740 8.740 8.766 -0.026 25449 291 1 . 1 1 49 49 ARG N N 49 116.800 116.800 116.722 0.078 25449 292 1 . 1 1 49 49 ARG HA H 49 4.350 4.350 4.007 0.343 25449 293 1 . 1 1 49 49 ARG C C 49 177.500 177.500 176.464 1.036 25449 294 1 . 1 1 49 49 ARG CA C 49 55.600 55.600 56.538 -0.938 25449 295 1 . 1 1 49 49 ARG CB C 49 31.600 31.600 27.128 4.473 25449 296 1 . 1 1 49 49 ARG H H 49 8.530 8.530 8.330 0.200 25449 297 1 . 1 1 50 50 GLY N N 50 108.300 108.300 106.087 2.213 25449 298 1 . 1 1 50 50 GLY C C 50 173.500 173.500 173.334 0.166 25449 299 1 . 1 1 50 50 GLY CA C 50 45.800 45.800 45.382 0.418 25449 300 1 . 1 1 50 50 GLY H H 50 8.900 8.900 8.779 0.121 25449 301 1 . 1 1 51 51 PHE N N 51 113.900 113.900 116.307 -2.407 25449 302 1 . 1 1 51 51 PHE HA H 51 5.470 5.470 4.696 0.774 25449 303 1 . 1 1 51 51 PHE C C 51 172.000 172.000 172.212 -0.212 25449 304 1 . 1 1 51 51 PHE CA C 51 55.000 55.000 55.879 -0.879 25449 305 1 . 1 1 51 51 PHE CB C 51 42.700 42.700 40.681 2.019 25449 306 1 . 1 1 51 51 PHE H H 51 6.910 6.910 7.331 -0.421 25449 307 1 . 1 1 52 52 ALA N N 52 120.500 120.500 125.083 -4.583 25449 308 1 . 1 1 52 52 ALA HA H 52 4.630 4.630 4.331 0.299 25449 309 1 . 1 1 52 52 ALA C C 52 173.900 173.900 174.578 -0.678 25449 310 1 . 1 1 52 52 ALA CA C 52 50.200 50.200 50.703 -0.503 25449 311 1 . 1 1 52 52 ALA CB C 52 25.100 25.100 22.162 2.938 25449 312 1 . 1 1 52 52 ALA H H 52 8.810 8.810 7.713 1.097 25449 313 1 . 1 1 53 53 PHE N N 53 115.000 115.000 119.584 -4.584 25449 314 1 . 1 1 53 53 PHE HA H 53 5.660 5.660 4.813 0.847 25449 315 1 . 1 1 53 53 PHE C C 53 175.600 175.600 174.922 0.678 25449 316 1 . 1 1 53 53 PHE CA C 53 56.200 56.200 56.685 -0.485 25449 317 1 . 1 1 53 53 PHE CB C 53 42.400 42.400 41.524 0.876 25449 318 1 . 1 1 53 53 PHE H H 53 8.730 8.730 8.115 0.615 25449 319 1 . 1 1 54 54 VAL N N 54 122.300 122.300 121.689 0.611 25449 320 1 . 1 1 54 54 VAL HA H 54 4.100 4.100 4.280 -0.180 25449 321 1 . 1 1 54 54 VAL C C 54 173.000 173.000 174.171 -1.171 25449 322 1 . 1 1 54 54 VAL CA C 54 61.700 61.700 61.575 0.125 25449 323 1 . 1 1 54 54 VAL CB C 54 34.400 34.400 34.452 -0.052 25449 324 1 . 1 1 54 54 VAL H H 54 9.060 9.060 8.413 0.647 25449 325 1 . 1 1 55 55 GLU N N 55 127.300 127.300 126.893 0.407 25449 326 1 . 1 1 55 55 GLU HA H 55 5.160 5.160 4.772 0.388 25449 327 1 . 1 1 55 55 GLU C C 55 175.900 175.900 175.602 0.298 25449 328 1 . 1 1 55 55 GLU CA C 55 54.000 54.000 54.815 -0.815 25449 329 1 . 1 1 55 55 GLU CB C 55 31.700 31.700 31.887 -0.187 25449 330 1 . 1 1 55 55 GLU H H 55 8.860 8.860 8.244 0.616 25449 331 1 . 1 1 56 56 TYR N N 56 127.500 127.500 123.618 3.882 25449 332 1 . 1 1 56 56 TYR HA H 56 4.520 4.520 4.499 0.021 25449 333 1 . 1 1 56 56 TYR C C 56 175.000 175.000 176.205 -1.205 25449 334 1 . 1 1 56 56 TYR CA C 56 59.700 59.700 58.917 0.783 25449 335 1 . 1 1 56 56 TYR CB C 56 40.200 40.200 40.408 -0.208 25449 336 1 . 1 1 56 56 TYR H H 56 9.470 9.470 8.336 1.134 25449 337 1 . 1 1 57 57 VAL N N 57 119.200 119.200 119.537 -0.337 25449 338 1 . 1 1 57 57 VAL HA H 57 3.570 3.570 3.983 -0.413 25449 339 1 . 1 1 57 57 VAL C C 57 177.000 177.000 175.719 1.281 25449 340 1 . 1 1 57 57 VAL CA C 57 66.300 66.300 64.423 1.877 25449 341 1 . 1 1 57 57 VAL CB C 57 32.000 32.000 32.392 -0.392 25449 342 1 . 1 1 57 57 VAL H H 57 7.800 7.800 8.079 -0.279 25449 343 1 . 1 1 58 58 GLU N N 58 118.500 118.500 118.155 0.345 25449 344 1 . 1 1 58 58 GLU HA H 58 4.780 4.780 4.600 0.180 25449 345 1 . 1 1 58 58 GLU C C 58 177.500 177.500 176.869 0.631 25449 346 1 . 1 1 58 58 GLU CA C 58 53.800 53.800 55.301 -1.501 25449 347 1 . 1 1 58 58 GLU CB C 58 30.500 30.500 30.915 -0.415 25449 348 1 . 1 1 58 58 GLU H H 58 9.530 9.530 8.091 1.439 25449 349 1 . 1 1 59 59 VAL N N 59 125.200 125.200 123.725 1.475 25449 350 1 . 1 1 59 59 VAL HA H 59 3.530 3.530 3.893 -0.363 25449 351 1 . 1 1 59 59 VAL C C 59 177.600 177.600 176.899 0.701 25449 352 1 . 1 1 59 59 VAL CA C 59 66.100 66.100 65.109 0.991 25449 353 1 . 1 1 59 59 VAL CB C 59 31.700 31.700 32.291 -0.591 25449 354 1 . 1 1 59 59 VAL H H 59 8.650 8.650 8.653 -0.003 25449 355 1 . 1 1 60 60 ASP N N 60 118.500 118.500 120.152 -1.652 25449 356 1 . 1 1 60 60 ASP HA H 60 4.220 4.220 4.429 -0.209 25449 357 1 . 1 1 60 60 ASP C C 60 178.300 178.300 177.772 0.528 25449 358 1 . 1 1 60 60 ASP CA C 60 57.600 57.600 57.709 -0.109 25449 359 1 . 1 1 60 60 ASP CB C 60 40.500 40.500 40.427 0.073 25449 360 1 . 1 1 60 60 ASP H H 60 8.970 8.970 8.591 0.379 25449 361 1 . 1 1 61 61 ASP N N 61 119.900 119.900 119.900 -0.000 25449 362 1 . 1 1 61 61 ASP HA H 61 4.360 4.360 4.439 -0.079 25449 363 1 . 1 1 61 61 ASP C C 61 176.800 176.800 178.236 -1.436 25449 364 1 . 1 1 61 61 ASP CA C 61 56.900 56.900 57.222 -0.322 25449 365 1 . 1 1 61 61 ASP CB C 61 39.800 39.800 40.530 -0.730 25449 366 1 . 1 1 61 61 ASP H H 61 6.920 6.920 8.546 -1.626 25449 367 1 . 1 1 62 62 ALA N N 62 122.700 122.700 122.442 0.258 25449 368 1 . 1 1 62 62 ALA HA H 62 3.380 3.380 3.299 0.081 25449 369 1 . 1 1 62 62 ALA C C 62 171.600 171.600 179.238 -7.638 25449 370 1 . 1 1 62 62 ALA CA C 62 55.100 55.100 55.049 0.051 25449 371 1 . 1 1 62 62 ALA CB C 62 18.200 18.200 18.278 -0.078 25449 372 1 . 1 1 62 62 ALA H H 62 6.910 6.910 7.714 -0.804 25449 373 1 . 1 1 63 63 LYS N N 63 116.200 116.200 118.186 -1.986 25449 374 1 . 1 1 63 63 LYS HA H 63 4.190 4.190 3.912 0.279 25449 375 1 . 1 1 63 63 LYS C C 63 179.200 179.200 179.090 0.110 25449 376 1 . 1 1 63 63 LYS CA C 63 59.300 59.300 59.520 -0.220 25449 377 1 . 1 1 63 63 LYS CB C 63 32.600 32.600 32.031 0.569 25449 378 1 . 1 1 63 63 LYS H H 63 8.020 8.020 7.697 0.323 25449 379 1 . 1 1 64 64 HIS N N 64 117.400 117.400 117.535 -0.135 25449 380 1 . 1 1 64 64 HIS HA H 64 4.310 4.310 4.354 -0.044 25449 381 1 . 1 1 64 64 HIS CA C 64 58.000 58.000 58.837 -0.837 25449 382 1 . 1 1 64 64 HIS CB C 64 29.100 29.100 29.890 -0.790 25449 383 1 . 1 1 64 64 HIS H H 64 7.460 7.460 7.543 -0.083 25449 384 1 . 1 1 65 65 ALA N N 65 123.700 123.700 122.231 1.469 25449 385 1 . 1 1 65 65 ALA HA H 65 2.170 2.170 3.946 -1.776 25449 386 1 . 1 1 65 65 ALA C C 65 178.700 178.700 179.098 -0.398 25449 387 1 . 1 1 65 65 ALA CA C 65 54.800 54.800 54.762 0.038 25449 388 1 . 1 1 65 65 ALA CB C 65 19.400 19.400 18.562 0.838 25449 389 1 . 1 1 65 65 ALA H H 65 8.190 8.190 7.695 0.495 25449 390 1 . 1 1 66 66 LEU N N 66 119.800 119.800 118.552 1.248 25449 391 1 . 1 1 66 66 LEU HA H 66 3.430 3.430 4.054 -0.624 25449 392 1 . 1 1 66 66 LEU C C 66 178.700 178.700 178.816 -0.116 25449 393 1 . 1 1 66 66 LEU CA C 66 59.700 59.700 57.622 2.078 25449 394 1 . 1 1 66 66 LEU CB C 66 41.100 41.100 41.636 -0.535 25449 395 1 . 1 1 66 66 LEU H H 66 8.340 8.340 7.462 0.878 25449 396 1 . 1 1 67 67 TYR N N 67 116.200 116.200 118.783 -2.583 25449 397 1 . 1 1 67 67 TYR HA H 67 4.010 4.010 4.156 -0.146 25449 398 1 . 1 1 67 67 TYR C C 67 177.700 177.700 177.456 0.244 25449 399 1 . 1 1 67 67 TYR CA C 67 60.500 60.500 61.847 -1.347 25449 400 1 . 1 1 67 67 TYR CB C 67 38.100 38.100 38.421 -0.321 25449 401 1 . 1 1 67 67 TYR H H 67 7.760 7.760 7.765 -0.005 25449 402 1 . 1 1 68 68 ASN N N 68 113.900 113.900 115.880 -1.980 25449 403 1 . 1 1 68 68 ASN HA H 68 4.430 4.430 4.614 -0.184 25449 404 1 . 1 1 68 68 ASN C C 68 176.400 176.400 175.980 0.420 25449 405 1 . 1 1 68 68 ASN CA C 68 55.600 55.600 54.674 0.925 25449 406 1 . 1 1 68 68 ASN CB C 68 41.400 41.400 38.597 2.803 25449 407 1 . 1 1 68 68 ASN H H 68 7.480 7.480 7.822 -0.342 25449 408 1 . 1 1 69 69 MET N N 69 114.900 114.900 116.221 -1.321 25449 409 1 . 1 1 69 69 MET HA H 69 4.760 4.760 4.556 0.204 25449 410 1 . 1 1 69 69 MET C C 69 177.000 177.000 176.589 0.411 25449 411 1 . 1 1 69 69 MET CA C 69 53.500 53.500 54.198 -0.698 25449 412 1 . 1 1 69 69 MET CB C 69 31.100 31.100 32.365 -1.265 25449 413 1 . 1 1 69 69 MET H H 69 8.310 8.310 7.563 0.747 25449 414 1 . 1 1 70 70 ASN N N 70 117.700 117.700 118.514 -0.814 25449 415 1 . 1 1 70 70 ASN HA H 70 4.370 4.370 4.582 -0.212 25449 416 1 . 1 1 70 70 ASN C C 70 176.400 176.400 175.920 0.480 25449 417 1 . 1 1 70 70 ASN CA C 70 56.100 56.100 55.327 0.773 25449 418 1 . 1 1 70 70 ASN CB C 70 38.700 38.700 38.355 0.345 25449 419 1 . 1 1 70 70 ASN H H 70 7.660 7.660 7.891 -0.231 25449 420 1 . 1 1 71 71 ASN N N 71 121.500 121.500 116.523 4.977 25449 421 1 . 1 1 71 71 ASN HA H 71 4.510 4.510 4.672 -0.163 25449 422 1 . 1 1 71 71 ASN C C 71 173.300 173.300 174.682 -1.382 25449 423 1 . 1 1 71 71 ASN CA C 71 55.800 55.800 53.029 2.771 25449 424 1 . 1 1 71 71 ASN CB C 71 38.200 38.200 38.417 -0.217 25449 425 1 . 1 1 71 71 ASN H H 71 8.600 8.600 8.235 0.365 25449 426 1 . 1 1 72 72 PHE N N 72 122.300 122.300 122.100 0.200 25449 427 1 . 1 1 72 72 PHE HA H 72 4.190 4.190 4.531 -0.341 25449 428 1 . 1 1 72 72 PHE C C 72 174.100 174.100 174.000 0.100 25449 429 1 . 1 1 72 72 PHE CA C 72 58.700 58.700 57.140 1.560 25449 430 1 . 1 1 72 72 PHE CB C 72 41.300 41.300 40.635 0.665 25449 431 1 . 1 1 72 72 PHE H H 72 7.870 7.870 7.579 0.291 25449 432 1 . 1 1 73 73 GLU N N 73 126.100 126.100 127.585 -1.485 25449 433 1 . 1 1 73 73 GLU HA H 73 4.230 4.230 4.405 -0.175 25449 434 1 . 1 1 73 73 GLU C C 73 173.000 173.000 174.270 -1.270 25449 435 1 . 1 1 73 73 GLU CA C 73 55.600 55.600 54.424 1.176 25449 436 1 . 1 1 73 73 GLU CB C 73 30.300 30.300 31.527 -1.228 25449 437 1 . 1 1 73 73 GLU H H 73 7.690 7.690 8.104 -0.414 25449 438 1 . 1 1 74 74 LEU N N 74 128.900 128.900 125.395 3.505 25449 439 1 . 1 1 74 74 LEU HA H 74 4.520 4.520 4.275 0.245 25449 440 1 . 1 1 74 74 LEU C C 74 175.500 175.500 175.804 -0.304 25449 441 1 . 1 1 74 74 LEU CA C 74 53.300 53.300 54.480 -1.180 25449 442 1 . 1 1 74 74 LEU CB C 74 44.600 44.600 42.964 1.636 25449 443 1 . 1 1 74 74 LEU H H 74 8.620 8.620 8.169 0.451 25449 444 1 . 1 1 75 75 ASN N N 75 126.800 126.800 122.609 4.191 25449 445 1 . 1 1 75 75 ASN HA H 75 4.210 4.210 4.460 -0.250 25449 446 1 . 1 1 75 75 ASN C C 75 175.600 175.600 175.580 0.020 25449 447 1 . 1 1 75 75 ASN CA C 75 53.900 53.900 53.717 0.183 25449 448 1 . 1 1 75 75 ASN CB C 75 36.900 36.900 37.209 -0.309 25449 449 1 . 1 1 75 75 ASN H H 75 9.520 9.520 9.006 0.513 25449 450 1 . 1 1 76 76 GLY N N 76 102.300 102.300 102.701 -0.401 25449 451 1 . 1 1 76 76 GLY C C 76 173.600 173.600 173.527 0.073 25449 452 1 . 1 1 76 76 GLY CA C 76 45.300 45.300 45.334 -0.034 25449 453 1 . 1 1 76 76 GLY H H 76 8.500 8.500 8.456 0.044 25449 454 1 . 1 1 77 77 LYS N N 77 120.800 120.800 118.765 2.035 25449 455 1 . 1 1 77 77 LYS HA H 77 4.570 4.570 4.489 0.081 25449 456 1 . 1 1 77 77 LYS C C 77 175.100 175.100 174.564 0.536 25449 457 1 . 1 1 77 77 LYS CA C 77 54.200 54.200 54.587 -0.387 25449 458 1 . 1 1 77 77 LYS CB C 77 34.500 34.500 34.813 -0.313 25449 459 1 . 1 1 77 77 LYS H H 77 7.580 7.580 7.444 0.136 25449 460 1 . 1 1 78 78 ARG N N 78 123.300 123.300 124.142 -0.843 25449 461 1 . 1 1 78 78 ARG HA H 78 4.480 4.480 4.438 0.042 25449 462 1 . 1 1 78 78 ARG C C 78 176.600 176.600 175.654 0.946 25449 463 1 . 1 1 78 78 ARG CA C 78 55.300 55.300 55.102 0.198 25449 464 1 . 1 1 78 78 ARG CB C 78 30.300 30.300 30.845 -0.545 25449 465 1 . 1 1 78 78 ARG H H 78 8.580 8.580 8.466 0.114 25449 466 1 . 1 1 79 79 ILE N N 79 120.100 120.100 122.816 -2.716 25449 467 1 . 1 1 79 79 ILE HA H 79 4.700 4.700 4.407 0.293 25449 468 1 . 1 1 79 79 ILE C C 79 175.200 175.200 174.993 0.207 25449 469 1 . 1 1 79 79 ILE CA C 79 60.000 60.000 59.999 0.001 25449 470 1 . 1 1 79 79 ILE CB C 79 39.400 39.400 39.160 0.240 25449 471 1 . 1 1 79 79 ILE H H 79 8.450 8.450 8.396 0.054 25449 472 1 . 1 1 80 80 HIS N N 80 119.900 119.900 125.281 -5.381 25449 473 1 . 1 1 80 80 HIS HA H 80 5.190 5.190 4.675 0.515 25449 474 1 . 1 1 80 80 HIS C C 80 173.600 173.600 174.371 -0.771 25449 475 1 . 1 1 80 80 HIS CA C 80 53.800 53.800 55.469 -1.669 25449 476 1 . 1 1 80 80 HIS CB C 80 31.300 31.300 30.643 0.657 25449 477 1 . 1 1 80 80 HIS H H 80 8.580 8.580 8.256 0.324 25449 478 1 . 1 1 81 81 VAL N N 81 123.800 123.800 126.073 -2.273 25449 479 1 . 1 1 81 81 VAL HA H 81 5.280 5.280 4.664 0.616 25449 480 1 . 1 1 81 81 VAL C C 81 173.600 173.600 174.805 -1.205 25449 481 1 . 1 1 81 81 VAL CA C 81 60.200 60.200 61.216 -1.016 25449 482 1 . 1 1 81 81 VAL CB C 81 35.000 35.000 32.984 2.016 25449 483 1 . 1 1 81 81 VAL H H 81 8.650 8.650 8.460 0.190 25449 484 1 . 1 1 82 82 ASN N N 82 121.100 121.100 123.810 -2.710 25449 485 1 . 1 1 82 82 ASN HA H 82 4.750 4.750 5.097 -0.347 25449 486 1 . 1 1 82 82 ASN C C 82 174.000 174.000 173.301 0.699 25449 487 1 . 1 1 82 82 ASN CA C 82 51.900 51.900 51.859 0.041 25449 488 1 . 1 1 82 82 ASN CB C 82 42.900 42.900 41.724 1.177 25449 489 1 . 1 1 82 82 ASN H H 82 8.890 8.890 8.292 0.598 25449 490 1 . 1 1 83 83 TYR N N 83 120.400 120.400 120.115 0.285 25449 491 1 . 1 1 83 83 TYR HA H 83 4.800 4.800 4.786 0.014 25449 492 1 . 1 1 83 83 TYR C C 83 177.100 177.100 175.196 1.904 25449 493 1 . 1 1 83 83 TYR CA C 83 59.400 59.400 58.484 0.916 25449 494 1 . 1 1 83 83 TYR CB C 83 38.700 38.700 39.745 -1.045 25449 495 1 . 1 1 83 83 TYR H H 83 8.480 8.480 8.558 -0.078 25449 496 1 . 1 1 84 84 SER N N 84 118.000 118.000 117.028 0.972 25449 497 1 . 1 1 84 84 SER HA H 84 4.520 4.520 4.428 0.092 25449 498 1 . 1 1 84 84 SER C C 84 174.100 174.100 172.509 1.591 25449 499 1 . 1 1 84 84 SER CA C 84 57.700 57.700 56.746 0.954 25449 500 1 . 1 1 84 84 SER CB C 84 64.300 64.300 65.322 -1.022 25449 501 1 . 1 1 84 84 SER H H 84 9.040 9.040 7.705 1.335 25449 502 1 . 1 1 85 85 LYS N N 85 125.300 125.300 121.566 3.734 25449 503 1 . 1 1 85 85 LYS HA H 85 4.440 4.440 4.349 0.091 25449 504 1 . 1 1 85 85 LYS C C 85 175.600 175.600 175.575 0.025 25449 505 1 . 1 1 85 85 LYS CA C 85 56.300 56.300 55.521 0.779 25449 506 1 . 1 1 85 85 LYS CB C 85 33.700 33.700 33.099 0.601 25449 507 1 . 1 1 85 85 LYS H H 85 8.410 8.410 8.242 0.168 25449 stop_ save_