data_19147 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19147 _Entry.PDB_ID 2M6N 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 19147 _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 14 14 LEU N N 14 123.914 123.914 123.805 0.109 19147 2 1 1 . 1 1 14 14 LEU HA H 14 4.914 4.914 4.383 0.531 19147 3 1 1 . 1 1 14 14 LEU C C 14 176.963 176.963 177.129 -0.166 19147 4 1 1 . 1 1 14 14 LEU CA C 14 54.055 54.055 54.753 -0.698 19147 5 1 1 . 1 1 14 14 LEU CB C 14 44.013 44.013 42.478 1.535 19147 6 1 1 . 1 1 14 14 LEU H H 14 8.089 8.089 7.780 0.309 19147 7 1 1 . 1 1 15 15 LYS N N 15 121.013 121.013 121.858 -0.845 19147 8 1 1 . 1 1 15 15 LYS HA H 15 4.323 4.323 4.366 -0.043 19147 9 1 1 . 1 1 15 15 LYS C C 15 174.711 174.711 175.457 -0.746 19147 10 1 1 . 1 1 15 15 LYS CA C 15 53.956 53.956 54.793 -0.837 19147 11 1 1 . 1 1 15 15 LYS CB C 15 35.171 35.171 33.865 1.306 19147 12 1 1 . 1 1 15 15 LYS H H 15 8.548 8.548 8.861 -0.312 19147 13 1 1 . 1 1 16 16 ALA N N 16 124.835 124.835 129.551 -4.716 19147 14 1 1 . 1 1 16 16 ALA HA H 16 4.424 4.424 4.638 -0.214 19147 15 1 1 . 1 1 16 16 ALA C C 16 176.513 176.513 177.489 -0.976 19147 16 1 1 . 1 1 16 16 ALA CA C 16 50.701 50.701 51.336 -0.635 19147 17 1 1 . 1 1 16 16 ALA CB C 16 19.404 19.404 19.052 0.352 19147 18 1 1 . 1 1 16 16 ALA H H 16 8.119 8.119 8.435 -0.316 19147 19 1 1 . 1 1 17 17 CYS N N 17 125.963 125.963 122.891 3.072 19147 20 1 1 . 1 1 17 17 CYS HA H 17 4.530 4.530 4.228 0.302 19147 21 1 1 . 1 1 17 17 CYS C C 17 179.428 179.428 177.185 2.243 19147 22 1 1 . 1 1 17 17 CYS CA C 17 59.687 59.687 58.943 0.744 19147 23 1 1 . 1 1 17 17 CYS CB C 17 31.087 31.087 29.512 1.575 19147 24 1 1 . 1 1 17 17 CYS H H 17 9.517 9.517 8.077 1.440 19147 25 1 1 . 1 1 18 18 ILE N N 18 124.917 124.917 120.922 3.995 19147 26 1 1 . 1 1 18 18 ILE HA H 18 4.039 4.039 4.150 -0.111 19147 27 1 1 . 1 1 18 18 ILE C C 18 175.825 175.825 175.807 0.018 19147 28 1 1 . 1 1 18 18 ILE CA C 18 62.353 62.353 63.029 -0.676 19147 29 1 1 . 1 1 18 18 ILE CB C 18 37.671 37.671 37.515 0.156 19147 30 1 1 . 1 1 18 18 ILE H H 18 7.244 7.244 8.484 -1.240 19147 31 1 1 . 1 1 19 19 ARG N N 19 124.247 124.247 123.197 1.050 19147 32 1 1 . 1 1 19 19 ARG HA H 19 4.235 4.235 4.256 -0.021 19147 33 1 1 . 1 1 19 19 ARG C C 19 177.413 177.413 176.919 0.494 19147 34 1 1 . 1 1 19 19 ARG CA C 19 57.820 57.820 58.295 -0.475 19147 35 1 1 . 1 1 19 19 ARG CB C 19 31.496 31.496 30.557 0.939 19147 36 1 1 . 1 1 19 19 ARG H H 19 9.392 9.392 8.533 0.859 19147 37 1 1 . 1 1 20 20 CYS N N 20 118.959 118.959 115.431 3.528 19147 38 1 1 . 1 1 20 20 CYS HA H 20 4.933 4.933 4.889 0.044 19147 39 1 1 . 1 1 20 20 CYS C C 20 178.409 178.409 173.756 4.653 19147 40 1 1 . 1 1 20 20 CYS CA C 20 58.663 58.663 57.273 1.390 19147 41 1 1 . 1 1 20 20 CYS CB C 20 32.067 32.067 29.265 2.802 19147 42 1 1 . 1 1 20 20 CYS H H 20 8.541 8.541 8.034 0.507 19147 43 1 1 . 1 1 21 21 ASN N N 21 120.450 120.450 119.514 0.936 19147 44 1 1 . 1 1 21 21 ASN HA H 21 4.422 4.422 4.525 -0.103 19147 45 1 1 . 1 1 21 21 ASN C C 21 174.237 174.237 174.041 0.196 19147 46 1 1 . 1 1 21 21 ASN CA C 21 55.172 55.172 54.284 0.888 19147 47 1 1 . 1 1 21 21 ASN CB C 21 38.545 38.545 37.156 1.389 19147 48 1 1 . 1 1 21 21 ASN H H 21 8.533 8.533 7.835 0.698 19147 49 1 1 . 1 1 22 22 SER N N 22 119.717 119.717 115.119 4.598 19147 50 1 1 . 1 1 22 22 SER HA H 22 4.643 4.643 4.728 -0.085 19147 51 1 1 . 1 1 22 22 SER CA C 22 58.269 58.269 56.504 1.765 19147 52 1 1 . 1 1 22 22 SER CB C 22 61.998 61.998 64.941 -2.943 19147 53 1 1 . 1 1 22 22 SER H H 22 8.742 8.742 8.248 0.494 19147 54 1 1 . 1 1 23 23 PRO HA H 23 4.375 4.375 4.477 -0.102 19147 55 1 1 . 1 1 23 23 PRO CA C 23 64.211 64.211 62.851 1.360 19147 56 1 1 . 1 1 23 23 PRO CB C 23 31.883 31.883 30.290 1.593 19147 57 1 1 . 1 1 24 24 ALA N N 24 126.670 126.670 128.425 -1.755 19147 58 1 1 . 1 1 24 24 ALA HA H 24 4.756 4.756 4.626 0.130 19147 59 1 1 . 1 1 24 24 ALA C C 24 176.157 176.157 176.278 -0.121 19147 60 1 1 . 1 1 24 24 ALA CA C 24 49.817 49.817 50.189 -0.372 19147 61 1 1 . 1 1 24 24 ALA CB C 24 19.920 19.920 21.526 -1.606 19147 62 1 1 . 1 1 24 24 ALA H H 24 8.732 8.732 8.886 -0.154 19147 63 1 1 . 1 1 25 25 LYS N N 25 122.456 122.456 126.701 -4.245 19147 64 1 1 . 1 1 25 25 LYS HA H 25 4.260 4.260 4.088 0.172 19147 65 1 1 . 1 1 25 25 LYS C C 25 175.612 175.612 175.164 0.448 19147 66 1 1 . 1 1 25 25 LYS CA C 25 56.269 56.269 55.534 0.735 19147 67 1 1 . 1 1 25 25 LYS CB C 25 32.912 32.912 31.899 1.013 19147 68 1 1 . 1 1 25 25 LYS H H 25 8.045 8.045 8.197 -0.152 19147 69 1 1 . 1 1 26 26 TYR N N 26 128.452 128.452 130.214 -1.762 19147 70 1 1 . 1 1 26 26 TYR HA H 26 5.275 5.275 4.787 0.488 19147 71 1 1 . 1 1 26 26 TYR C C 26 173.550 173.550 175.317 -1.767 19147 72 1 1 . 1 1 26 26 TYR CA C 26 54.572 54.572 56.399 -1.827 19147 73 1 1 . 1 1 26 26 TYR CB C 26 40.463 40.463 39.259 1.204 19147 74 1 1 . 1 1 26 26 TYR H H 26 8.734 8.734 8.139 0.595 19147 75 1 1 . 1 1 27 27 ASP N N 27 129.563 129.563 128.982 0.581 19147 76 1 1 . 1 1 27 27 ASP HA H 27 4.525 4.525 4.777 -0.252 19147 77 1 1 . 1 1 27 27 ASP C C 27 175.920 175.920 175.936 -0.016 19147 78 1 1 . 1 1 27 27 ASP CA C 27 51.470 51.470 52.858 -1.388 19147 79 1 1 . 1 1 27 27 ASP CB C 27 42.426 42.426 42.334 0.092 19147 80 1 1 . 1 1 27 27 ASP H H 27 8.714 8.714 9.022 -0.308 19147 81 1 1 . 1 1 28 28 CYS N N 28 122.534 122.534 123.690 -1.156 19147 82 1 1 . 1 1 28 28 CYS HA H 28 3.753 3.753 4.120 -0.367 19147 83 1 1 . 1 1 28 28 CYS C C 28 175.043 175.043 175.326 -0.283 19147 84 1 1 . 1 1 28 28 CYS CA C 28 58.504 58.504 59.767 -1.263 19147 85 1 1 . 1 1 28 28 CYS CB C 28 26.501 26.501 27.586 -1.085 19147 86 1 1 . 1 1 28 28 CYS H H 28 8.226 8.226 8.292 -0.066 19147 87 1 1 . 1 1 29 29 TYR N N 29 123.853 123.853 119.852 4.001 19147 88 1 1 . 1 1 29 29 TYR HA H 29 4.319 4.319 4.182 0.137 19147 89 1 1 . 1 1 29 29 TYR C C 29 177.722 177.722 176.277 1.445 19147 90 1 1 . 1 1 29 29 TYR CA C 29 59.695 59.695 60.852 -1.157 19147 91 1 1 . 1 1 29 29 TYR CB C 29 37.305 37.305 38.749 -1.444 19147 92 1 1 . 1 1 29 29 TYR H H 29 8.206 8.206 7.909 0.297 19147 93 1 1 . 1 1 30 30 LEU N N 30 117.184 117.184 115.037 2.147 19147 94 1 1 . 1 1 30 30 LEU HA H 30 4.068 4.068 4.644 -0.576 19147 95 1 1 . 1 1 30 30 LEU C C 30 177.058 177.058 175.729 1.329 19147 96 1 1 . 1 1 30 30 LEU CA C 30 53.970 53.970 54.241 -0.271 19147 97 1 1 . 1 1 30 30 LEU CB C 30 42.216 42.216 42.878 -0.662 19147 98 1 1 . 1 1 30 30 LEU H H 30 7.681 7.681 7.526 0.155 19147 99 1 1 . 1 1 31 31 GLN N N 31 115.267 115.267 115.850 -0.583 19147 100 1 1 . 1 1 31 31 GLN HA H 31 3.551 3.551 4.179 -0.628 19147 101 1 1 . 1 1 31 31 GLN C C 31 173.739 173.739 174.937 -1.198 19147 102 1 1 . 1 1 31 31 GLN CA C 31 57.133 57.133 57.384 -0.251 19147 103 1 1 . 1 1 31 31 GLN CB C 31 25.119 25.119 25.994 -0.875 19147 104 1 1 . 1 1 31 31 GLN H H 31 7.740 7.740 7.898 -0.158 19147 105 1 1 . 1 1 32 32 ARG N N 32 120.485 120.485 115.451 5.034 19147 106 1 1 . 1 1 32 32 ARG HA H 32 5.053 5.053 5.123 -0.070 19147 107 1 1 . 1 1 32 32 ARG C C 32 173.384 173.384 173.725 -0.341 19147 108 1 1 . 1 1 32 32 ARG CA C 32 52.928 52.928 53.713 -0.785 19147 109 1 1 . 1 1 32 32 ARG CB C 32 36.499 36.499 34.338 2.161 19147 110 1 1 . 1 1 32 32 ARG H H 32 7.213 7.213 7.907 -0.694 19147 111 1 1 . 1 1 33 33 ALA N N 33 130.237 130.237 122.951 7.286 19147 112 1 1 . 1 1 33 33 ALA HA H 33 5.295 5.295 5.216 0.079 19147 113 1 1 . 1 1 33 33 ALA C C 33 174.522 174.522 175.101 -0.579 19147 114 1 1 . 1 1 33 33 ALA CA C 33 49.099 49.099 49.912 -0.813 19147 115 1 1 . 1 1 33 33 ALA CB C 33 20.309 20.309 22.447 -2.138 19147 116 1 1 . 1 1 33 33 ALA H H 33 8.763 8.763 8.774 -0.011 19147 117 1 1 . 1 1 34 34 THR N N 34 114.351 114.351 116.066 -1.715 19147 118 1 1 . 1 1 34 34 THR HA H 34 4.904 4.904 4.817 0.087 19147 119 1 1 . 1 1 34 34 THR C C 34 173.597 173.597 174.662 -1.065 19147 120 1 1 . 1 1 34 34 THR CA C 34 60.450 60.450 59.804 0.646 19147 121 1 1 . 1 1 34 34 THR CB C 34 70.553 70.553 69.028 1.525 19147 122 1 1 . 1 1 34 34 THR H H 34 8.269 8.269 7.909 0.360 19147 123 1 1 . 1 1 35 35 CYS N N 35 133.180 133.180 127.013 6.167 19147 124 1 1 . 1 1 35 35 CYS HA H 35 3.909 3.909 4.119 -0.210 19147 125 1 1 . 1 1 35 35 CYS C C 35 175.825 175.825 174.777 1.048 19147 126 1 1 . 1 1 35 35 CYS CA C 35 61.216 61.216 61.391 -0.175 19147 127 1 1 . 1 1 35 35 CYS CB C 35 31.563 31.563 28.843 2.720 19147 128 1 1 . 1 1 35 35 CYS H H 35 9.133 9.133 8.377 0.756 19147 129 1 1 . 1 1 36 36 LYS N N 36 125.753 125.753 128.123 -2.370 19147 130 1 1 . 1 1 36 36 LYS HA H 36 4.324 4.324 4.312 0.012 19147 131 1 1 . 1 1 36 36 LYS C C 36 176.323 176.323 175.454 0.869 19147 132 1 1 . 1 1 36 36 LYS CA C 36 55.921 55.921 55.182 0.739 19147 133 1 1 . 1 1 36 36 LYS CB C 36 32.422 32.422 31.983 0.439 19147 134 1 1 . 1 1 36 36 LYS H H 36 8.343 8.343 8.341 0.003 19147 135 1 1 . 1 1 37 37 ARG N N 37 127.726 127.726 120.270 7.456 19147 136 1 1 . 1 1 37 37 ARG HA H 37 4.133 4.133 4.559 -0.426 19147 137 1 1 . 1 1 37 37 ARG C C 37 177.650 177.650 177.238 0.412 19147 138 1 1 . 1 1 37 37 ARG CA C 37 56.595 56.595 55.091 1.504 19147 139 1 1 . 1 1 37 37 ARG CB C 37 30.759 30.759 31.812 -1.053 19147 140 1 1 . 1 1 37 37 ARG H H 37 9.381 9.381 7.748 1.633 19147 141 1 1 . 1 1 38 38 GLU N N 38 131.710 131.710 125.746 5.964 19147 142 1 1 . 1 1 38 38 GLU HA H 38 3.933 3.933 4.154 -0.221 19147 143 1 1 . 1 1 38 38 GLU C C 38 177.342 177.342 177.065 0.277 19147 144 1 1 . 1 1 38 38 GLU CA C 38 58.288 58.288 58.445 -0.157 19147 145 1 1 . 1 1 38 38 GLU CB C 38 28.628 28.628 29.618 -0.990 19147 146 1 1 . 1 1 38 38 GLU H H 38 9.079 9.079 8.985 0.094 19147 147 1 1 . 1 1 39 39 GLY N N 39 112.546 112.546 105.419 7.127 19147 148 1 1 . 1 1 39 39 GLY C C 39 173.431 173.431 174.508 -1.077 19147 149 1 1 . 1 1 39 39 GLY CA C 39 44.725 44.725 45.263 -0.538 19147 150 1 1 . 1 1 39 39 GLY H H 39 8.693 8.693 8.408 0.285 19147 151 1 1 . 1 1 40 40 CYS N N 40 123.383 123.383 118.517 4.866 19147 152 1 1 . 1 1 40 40 CYS HA H 40 4.492 4.492 4.734 -0.242 19147 153 1 1 . 1 1 40 40 CYS C C 40 175.659 175.659 175.337 0.322 19147 154 1 1 . 1 1 40 40 CYS CA C 40 59.558 59.558 59.162 0.396 19147 155 1 1 . 1 1 40 40 CYS CB C 40 30.181 30.181 30.783 -0.602 19147 156 1 1 . 1 1 40 40 CYS H H 40 7.838 7.838 7.544 0.294 19147 157 1 1 . 1 1 41 41 GLY N N 41 108.697 108.697 109.700 -1.003 19147 158 1 1 . 1 1 41 41 GLY C C 41 174.261 174.261 173.613 0.648 19147 159 1 1 . 1 1 41 41 GLY CA C 41 46.283 46.283 46.270 0.013 19147 160 1 1 . 1 1 41 41 GLY H H 41 8.109 8.109 8.179 -0.070 19147 161 1 1 . 1 1 42 42 PHE N N 42 124.198 124.198 116.783 7.415 19147 162 1 1 . 1 1 42 42 PHE HA H 42 4.579 4.579 4.920 -0.341 19147 163 1 1 . 1 1 42 42 PHE C C 42 172.886 172.886 173.792 -0.906 19147 164 1 1 . 1 1 42 42 PHE CA C 42 58.164 58.164 54.526 3.638 19147 165 1 1 . 1 1 42 42 PHE CB C 42 38.872 38.872 41.603 -2.731 19147 166 1 1 . 1 1 42 42 PHE H H 42 8.140 8.140 7.715 0.425 19147 167 1 1 . 1 1 43 43 ASP N N 43 129.158 129.158 120.866 8.292 19147 168 1 1 . 1 1 43 43 ASP HA H 43 5.377 5.377 4.932 0.445 19147 169 1 1 . 1 1 43 43 ASP C C 43 175.493 175.493 175.172 0.321 19147 170 1 1 . 1 1 43 43 ASP CA C 43 51.991 51.991 52.893 -0.902 19147 171 1 1 . 1 1 43 43 ASP CB C 43 42.089 42.089 42.154 -0.065 19147 172 1 1 . 1 1 43 43 ASP H H 43 7.830 7.830 8.498 -0.668 19147 173 1 1 . 1 1 44 44 TYR N N 44 121.015 121.015 116.203 4.812 19147 174 1 1 . 1 1 44 44 TYR HA H 44 5.072 5.072 5.189 -0.117 19147 175 1 1 . 1 1 44 44 TYR C C 44 173.882 173.882 173.759 0.123 19147 176 1 1 . 1 1 44 44 TYR CA C 44 54.551 54.551 56.594 -2.043 19147 177 1 1 . 1 1 44 44 TYR CB C 44 41.061 41.061 39.892 1.169 19147 178 1 1 . 1 1 44 44 TYR H H 44 9.264 9.264 7.863 1.401 19147 179 1 1 . 1 1 45 45 CYS N N 45 121.008 121.008 121.543 -0.535 19147 180 1 1 . 1 1 45 45 CYS HA H 45 5.157 5.157 4.832 0.325 19147 181 1 1 . 1 1 45 45 CYS C C 45 178.385 178.385 175.835 2.550 19147 182 1 1 . 1 1 45 45 CYS CA C 45 56.934 56.934 60.897 -3.963 19147 183 1 1 . 1 1 45 45 CYS CB C 45 31.953 31.953 29.919 2.034 19147 184 1 1 . 1 1 45 45 CYS H H 45 8.420 8.420 9.011 -0.591 19147 185 1 1 . 1 1 46 46 THR N N 46 120.657 120.657 120.132 0.525 19147 186 1 1 . 1 1 46 46 THR HA H 46 4.090 4.090 4.226 -0.136 19147 187 1 1 . 1 1 46 46 THR C C 46 174.593 174.593 175.275 -0.682 19147 188 1 1 . 1 1 46 46 THR CA C 46 64.084 64.084 64.178 -0.094 19147 189 1 1 . 1 1 46 46 THR CB C 46 66.577 66.577 68.592 -2.015 19147 190 1 1 . 1 1 46 46 THR H H 46 8.518 8.518 8.964 -0.446 19147 191 1 1 . 1 1 47 47 LYS N N 47 124.516 124.516 120.267 4.249 19147 192 1 1 . 1 1 47 47 LYS HA H 47 4.377 4.377 4.233 0.144 19147 193 1 1 . 1 1 47 47 LYS C C 47 177.319 177.319 177.263 0.056 19147 194 1 1 . 1 1 47 47 LYS CA C 47 58.163 58.163 58.689 -0.526 19147 195 1 1 . 1 1 47 47 LYS CB C 47 32.753 32.753 32.487 0.265 19147 196 1 1 . 1 1 47 47 LYS H H 47 9.452 9.452 8.525 0.927 19147 197 1 1 . 1 1 48 48 CYS N N 48 116.543 116.543 114.517 2.026 19147 198 1 1 . 1 1 48 48 CYS HA H 48 4.817 4.817 4.917 -0.100 19147 199 1 1 . 1 1 48 48 CYS C C 48 175.920 175.920 174.804 1.116 19147 200 1 1 . 1 1 48 48 CYS CA C 48 57.997 57.997 57.155 0.842 19147 201 1 1 . 1 1 48 48 CYS CB C 48 32.109 32.109 29.038 3.071 19147 202 1 1 . 1 1 48 48 CYS H H 48 8.244 8.244 7.758 0.486 19147 203 1 1 . 1 1 49 49 LEU N N 49 118.590 118.590 119.668 -1.078 19147 204 1 1 . 1 1 49 49 LEU HA H 49 4.247 4.247 4.266 -0.019 19147 205 1 1 . 1 1 49 49 LEU C C 49 176.916 176.916 176.300 0.616 19147 206 1 1 . 1 1 49 49 LEU CA C 49 56.333 56.333 55.674 0.659 19147 207 1 1 . 1 1 49 49 LEU CB C 49 36.861 36.861 39.615 -2.754 19147 208 1 1 . 1 1 49 49 LEU H H 49 8.181 8.181 8.097 0.084 19147 209 1 1 . 1 1 50 50 CYS N N 50 115.484 115.484 116.750 -1.266 19147 210 1 1 . 1 1 50 50 CYS HA H 50 4.938 4.938 4.636 0.302 19147 211 1 1 . 1 1 50 50 CYS C C 50 173.194 173.194 174.042 -0.848 19147 212 1 1 . 1 1 50 50 CYS CA C 50 57.589 57.589 56.483 1.106 19147 213 1 1 . 1 1 50 50 CYS CB C 50 30.662 30.662 31.031 -0.369 19147 214 1 1 . 1 1 50 50 CYS H H 50 8.001 8.001 7.715 0.286 19147 215 1 1 . 1 1 51 51 ASN N N 51 116.975 116.975 118.757 -1.782 19147 216 1 1 . 1 1 51 51 ASN HA H 51 4.427 4.427 4.646 -0.219 19147 217 1 1 . 1 1 51 51 ASN C C 51 174.640 174.640 174.406 0.234 19147 218 1 1 . 1 1 51 51 ASN CA C 51 54.190 54.190 54.789 -0.599 19147 219 1 1 . 1 1 51 51 ASN CB C 51 38.421 38.421 38.984 -0.563 19147 220 1 1 . 1 1 51 51 ASN H H 51 8.453 8.453 8.564 -0.111 19147 221 1 1 . 1 1 52 52 TYR N N 52 123.645 123.645 125.813 -2.168 19147 222 1 1 . 1 1 52 52 TYR HA H 52 3.628 3.628 4.548 -0.920 19147 223 1 1 . 1 1 52 52 TYR C C 52 173.953 173.953 175.372 -1.419 19147 224 1 1 . 1 1 52 52 TYR CA C 52 61.742 61.742 58.103 3.639 19147 225 1 1 . 1 1 52 52 TYR CB C 52 37.030 37.030 40.141 -3.111 19147 226 1 1 . 1 1 52 52 TYR H H 52 8.903 8.903 8.143 0.760 19147 227 1 1 . 1 1 53 53 HIS N N 53 123.135 123.135 124.521 -1.386 19147 228 1 1 . 1 1 53 53 HIS HA H 53 4.673 4.673 4.348 0.325 19147 229 1 1 . 1 1 53 53 HIS C C 53 173.360 173.360 175.070 -1.710 19147 230 1 1 . 1 1 53 53 HIS CA C 53 51.116 51.116 56.942 -5.826 19147 231 1 1 . 1 1 53 53 HIS CB C 53 29.297 29.297 29.172 0.125 19147 232 1 1 . 1 1 53 53 HIS H H 53 5.918 5.918 7.894 -1.976 19147 233 1 1 . 1 1 54 54 THR N N 54 110.786 110.786 115.456 -4.670 19147 234 1 1 . 1 1 54 54 THR HA H 54 3.786 3.786 4.580 -0.794 19147 235 1 1 . 1 1 54 54 THR C C 54 175.778 175.778 174.969 0.809 19147 236 1 1 . 1 1 54 54 THR CA C 54 62.088 62.088 60.336 1.752 19147 237 1 1 . 1 1 54 54 THR CB C 54 68.634 68.634 70.709 -2.075 19147 238 1 1 . 1 1 54 54 THR H H 54 7.632 7.632 7.777 -0.145 19147 239 1 1 . 1 1 55 55 THR N N 55 113.157 113.157 113.311 -0.154 19147 240 1 1 . 1 1 55 55 THR HA H 55 4.656 4.656 4.126 0.530 19147 241 1 1 . 1 1 55 55 THR C C 55 175.209 175.209 175.399 -0.190 19147 242 1 1 . 1 1 55 55 THR CA C 55 60.909 60.909 64.395 -3.486 19147 243 1 1 . 1 1 55 55 THR CB C 55 68.720 68.720 69.104 -0.384 19147 244 1 1 . 1 1 55 55 THR H H 55 7.746 7.746 8.413 -0.667 19147 245 1 1 . 1 1 56 56 LYS N N 56 122.548 122.548 120.236 2.312 19147 246 1 1 . 1 1 56 56 LYS HA H 56 4.247 4.247 4.294 -0.047 19147 247 1 1 . 1 1 56 56 LYS C C 56 176.726 176.726 176.366 0.360 19147 248 1 1 . 1 1 56 56 LYS CA C 56 56.714 56.714 57.395 -0.681 19147 249 1 1 . 1 1 56 56 LYS CB C 56 32.279 32.279 33.577 -1.298 19147 250 1 1 . 1 1 56 56 LYS H H 56 8.344 8.344 7.883 0.461 19147 251 1 1 . 1 1 57 57 ASP N N 57 119.260 119.260 114.572 4.688 19147 252 1 1 . 1 1 57 57 ASP HA H 57 4.684 4.684 4.677 0.007 19147 253 1 1 . 1 1 57 57 ASP C C 57 176.323 176.323 174.626 1.697 19147 254 1 1 . 1 1 57 57 ASP CA C 57 53.331 53.331 53.778 -0.447 19147 255 1 1 . 1 1 57 57 ASP CB C 57 41.168 41.168 42.444 -1.276 19147 256 1 1 . 1 1 57 57 ASP H H 57 8.201 8.201 8.050 0.151 19147 257 1 2 . 1 1 14 14 LEU N N 14 123.914 123.914 122.931 0.983 19147 258 1 2 . 1 1 14 14 LEU HA H 14 4.914 4.914 4.763 0.151 19147 259 1 2 . 1 1 14 14 LEU C C 14 176.963 176.963 176.784 0.179 19147 260 1 2 . 1 1 14 14 LEU CA C 14 54.055 54.055 54.238 -0.183 19147 261 1 2 . 1 1 14 14 LEU CB C 14 44.013 44.013 42.896 1.117 19147 262 1 2 . 1 1 14 14 LEU H H 14 8.089 8.089 7.858 0.231 19147 263 1 2 . 1 1 15 15 LYS N N 15 121.013 121.013 120.315 0.698 19147 264 1 2 . 1 1 15 15 LYS HA H 15 4.323 4.323 4.569 -0.246 19147 265 1 2 . 1 1 15 15 LYS C C 15 174.711 174.711 175.348 -0.637 19147 266 1 2 . 1 1 15 15 LYS CA C 15 53.956 53.956 53.702 0.254 19147 267 1 2 . 1 1 15 15 LYS CB C 15 35.171 35.171 33.809 1.362 19147 268 1 2 . 1 1 15 15 LYS H H 15 8.548 8.548 8.264 0.284 19147 269 1 2 . 1 1 16 16 ALA N N 16 124.835 124.835 122.445 2.390 19147 270 1 2 . 1 1 16 16 ALA HA H 16 4.424 4.424 4.682 -0.258 19147 271 1 2 . 1 1 16 16 ALA C C 16 176.513 176.513 176.935 -0.422 19147 272 1 2 . 1 1 16 16 ALA CA C 16 50.701 50.701 50.594 0.107 19147 273 1 2 . 1 1 16 16 ALA CB C 16 19.404 19.404 19.088 0.316 19147 274 1 2 . 1 1 16 16 ALA H H 16 8.119 8.119 8.346 -0.227 19147 275 1 2 . 1 1 17 17 CYS N N 17 125.963 125.963 122.672 3.291 19147 276 1 2 . 1 1 17 17 CYS HA H 17 4.530 4.530 4.325 0.205 19147 277 1 2 . 1 1 17 17 CYS C C 17 179.428 179.428 177.215 2.213 19147 278 1 2 . 1 1 17 17 CYS CA C 17 59.687 59.687 58.926 0.761 19147 279 1 2 . 1 1 17 17 CYS CB C 17 31.087 31.087 29.539 1.548 19147 280 1 2 . 1 1 17 17 CYS H H 17 9.517 9.517 8.192 1.325 19147 281 1 2 . 1 1 18 18 ILE N N 18 124.917 124.917 121.333 3.584 19147 282 1 2 . 1 1 18 18 ILE HA H 18 4.039 4.039 4.154 -0.115 19147 283 1 2 . 1 1 18 18 ILE C C 18 175.825 175.825 175.975 -0.150 19147 284 1 2 . 1 1 18 18 ILE CA C 18 62.353 62.353 62.759 -0.406 19147 285 1 2 . 1 1 18 18 ILE CB C 18 37.671 37.671 37.764 -0.093 19147 286 1 2 . 1 1 18 18 ILE H H 18 7.244 7.244 8.513 -1.269 19147 287 1 2 . 1 1 19 19 ARG N N 19 124.247 124.247 122.117 2.130 19147 288 1 2 . 1 1 19 19 ARG HA H 19 4.235 4.235 4.202 0.033 19147 289 1 2 . 1 1 19 19 ARG C C 19 177.413 177.413 176.460 0.953 19147 290 1 2 . 1 1 19 19 ARG CA C 19 57.820 57.820 58.265 -0.445 19147 291 1 2 . 1 1 19 19 ARG CB C 19 31.496 31.496 30.528 0.968 19147 292 1 2 . 1 1 19 19 ARG H H 19 9.392 9.392 8.287 1.105 19147 293 1 2 . 1 1 20 20 CYS N N 20 118.959 118.959 114.697 4.262 19147 294 1 2 . 1 1 20 20 CYS HA H 20 4.933 4.933 4.810 0.123 19147 295 1 2 . 1 1 20 20 CYS C C 20 178.409 178.409 173.376 5.033 19147 296 1 2 . 1 1 20 20 CYS CA C 20 58.663 58.663 57.159 1.504 19147 297 1 2 . 1 1 20 20 CYS CB C 20 32.067 32.067 28.945 3.122 19147 298 1 2 . 1 1 20 20 CYS H H 20 8.541 8.541 7.895 0.646 19147 299 1 2 . 1 1 21 21 ASN N N 21 120.450 120.450 119.391 1.059 19147 300 1 2 . 1 1 21 21 ASN HA H 21 4.422 4.422 4.465 -0.043 19147 301 1 2 . 1 1 21 21 ASN C C 21 174.237 174.237 174.399 -0.162 19147 302 1 2 . 1 1 21 21 ASN CA C 21 55.172 55.172 54.149 1.023 19147 303 1 2 . 1 1 21 21 ASN CB C 21 38.545 38.545 37.389 1.156 19147 304 1 2 . 1 1 21 21 ASN H H 21 8.533 8.533 7.982 0.551 19147 305 1 2 . 1 1 22 22 SER N N 22 119.717 119.717 115.701 4.016 19147 306 1 2 . 1 1 22 22 SER HA H 22 4.643 4.643 4.818 -0.175 19147 307 1 2 . 1 1 22 22 SER CA C 22 58.269 58.269 56.282 1.987 19147 308 1 2 . 1 1 22 22 SER CB C 22 61.998 61.998 65.234 -3.236 19147 309 1 2 . 1 1 22 22 SER H H 22 8.742 8.742 8.132 0.610 19147 310 1 2 . 1 1 23 23 PRO HA H 23 4.375 4.375 4.826 -0.451 19147 311 1 2 . 1 1 23 23 PRO CA C 23 64.211 64.211 62.909 1.302 19147 312 1 2 . 1 1 23 23 PRO CB C 23 31.883 31.883 30.875 1.008 19147 313 1 2 . 1 1 24 24 ALA N N 24 126.670 126.670 128.083 -1.413 19147 314 1 2 . 1 1 24 24 ALA HA H 24 4.756 4.756 4.597 0.159 19147 315 1 2 . 1 1 24 24 ALA C C 24 176.157 176.157 176.825 -0.668 19147 316 1 2 . 1 1 24 24 ALA CA C 24 49.817 49.817 50.145 -0.328 19147 317 1 2 . 1 1 24 24 ALA CB C 24 19.920 19.920 21.058 -1.138 19147 318 1 2 . 1 1 24 24 ALA H H 24 8.732 8.732 7.994 0.738 19147 319 1 2 . 1 1 25 25 LYS N N 25 122.456 122.456 127.033 -4.577 19147 320 1 2 . 1 1 25 25 LYS HA H 25 4.260 4.260 4.044 0.216 19147 321 1 2 . 1 1 25 25 LYS C C 25 175.612 175.612 175.234 0.378 19147 322 1 2 . 1 1 25 25 LYS CA C 25 56.269 56.269 55.809 0.460 19147 323 1 2 . 1 1 25 25 LYS CB C 25 32.912 32.912 32.143 0.769 19147 324 1 2 . 1 1 25 25 LYS H H 25 8.045 8.045 8.420 -0.375 19147 325 1 2 . 1 1 26 26 TYR N N 26 128.452 128.452 129.942 -1.490 19147 326 1 2 . 1 1 26 26 TYR HA H 26 5.275 5.275 4.800 0.475 19147 327 1 2 . 1 1 26 26 TYR C C 26 173.550 173.550 175.322 -1.772 19147 328 1 2 . 1 1 26 26 TYR CA C 26 54.572 54.572 56.897 -2.325 19147 329 1 2 . 1 1 26 26 TYR CB C 26 40.463 40.463 39.339 1.124 19147 330 1 2 . 1 1 26 26 TYR H H 26 8.734 8.734 8.217 0.517 19147 331 1 2 . 1 1 27 27 ASP N N 27 129.563 129.563 129.832 -0.269 19147 332 1 2 . 1 1 27 27 ASP HA H 27 4.525 4.525 4.637 -0.112 19147 333 1 2 . 1 1 27 27 ASP C C 27 175.920 175.920 175.594 0.326 19147 334 1 2 . 1 1 27 27 ASP CA C 27 51.470 51.470 52.496 -1.026 19147 335 1 2 . 1 1 27 27 ASP CB C 27 42.426 42.426 40.785 1.641 19147 336 1 2 . 1 1 27 27 ASP H H 27 8.714 8.714 9.078 -0.364 19147 337 1 2 . 1 1 28 28 CYS N N 28 122.534 122.534 123.335 -0.801 19147 338 1 2 . 1 1 28 28 CYS HA H 28 3.753 3.753 3.953 -0.200 19147 339 1 2 . 1 1 28 28 CYS C C 28 175.043 175.043 175.236 -0.193 19147 340 1 2 . 1 1 28 28 CYS CA C 28 58.504 58.504 60.405 -1.901 19147 341 1 2 . 1 1 28 28 CYS CB C 28 26.501 26.501 27.237 -0.736 19147 342 1 2 . 1 1 28 28 CYS H H 28 8.226 8.226 8.244 -0.018 19147 343 1 2 . 1 1 29 29 TYR N N 29 123.853 123.853 118.195 5.658 19147 344 1 2 . 1 1 29 29 TYR HA H 29 4.319 4.319 4.170 0.149 19147 345 1 2 . 1 1 29 29 TYR C C 29 177.722 177.722 176.375 1.347 19147 346 1 2 . 1 1 29 29 TYR CA C 29 59.695 59.695 60.891 -1.196 19147 347 1 2 . 1 1 29 29 TYR CB C 29 37.305 37.305 38.704 -1.399 19147 348 1 2 . 1 1 29 29 TYR H H 29 8.206 8.206 7.990 0.216 19147 349 1 2 . 1 1 30 30 LEU N N 30 117.184 117.184 114.850 2.334 19147 350 1 2 . 1 1 30 30 LEU HA H 30 4.068 4.068 4.603 -0.535 19147 351 1 2 . 1 1 30 30 LEU C C 30 177.058 177.058 175.695 1.363 19147 352 1 2 . 1 1 30 30 LEU CA C 30 53.970 53.970 54.172 -0.202 19147 353 1 2 . 1 1 30 30 LEU CB C 30 42.216 42.216 42.732 -0.516 19147 354 1 2 . 1 1 30 30 LEU H H 30 7.681 7.681 7.659 0.022 19147 355 1 2 . 1 1 31 31 GLN N N 31 115.267 115.267 115.963 -0.696 19147 356 1 2 . 1 1 31 31 GLN HA H 31 3.551 3.551 4.103 -0.552 19147 357 1 2 . 1 1 31 31 GLN C C 31 173.739 173.739 174.754 -1.015 19147 358 1 2 . 1 1 31 31 GLN CA C 31 57.133 57.133 57.306 -0.173 19147 359 1 2 . 1 1 31 31 GLN CB C 31 25.119 25.119 26.276 -1.157 19147 360 1 2 . 1 1 31 31 GLN H H 31 7.740 7.740 8.006 -0.266 19147 361 1 2 . 1 1 32 32 ARG N N 32 120.485 120.485 114.865 5.620 19147 362 1 2 . 1 1 32 32 ARG HA H 32 5.053 5.053 5.075 -0.022 19147 363 1 2 . 1 1 32 32 ARG C C 32 173.384 173.384 173.871 -0.487 19147 364 1 2 . 1 1 32 32 ARG CA C 32 52.928 52.928 53.719 -0.791 19147 365 1 2 . 1 1 32 32 ARG CB C 32 36.499 36.499 33.833 2.667 19147 366 1 2 . 1 1 32 32 ARG H H 32 7.213 7.213 7.760 -0.547 19147 367 1 2 . 1 1 33 33 ALA N N 33 130.237 130.237 122.322 7.915 19147 368 1 2 . 1 1 33 33 ALA HA H 33 5.295 5.295 5.362 -0.067 19147 369 1 2 . 1 1 33 33 ALA C C 33 174.522 174.522 175.327 -0.805 19147 370 1 2 . 1 1 33 33 ALA CA C 33 49.099 49.099 50.375 -1.276 19147 371 1 2 . 1 1 33 33 ALA CB C 33 20.309 20.309 22.139 -1.830 19147 372 1 2 . 1 1 33 33 ALA H H 33 8.763 8.763 8.831 -0.068 19147 373 1 2 . 1 1 34 34 THR N N 34 114.351 114.351 117.999 -3.648 19147 374 1 2 . 1 1 34 34 THR HA H 34 4.904 4.904 4.871 0.033 19147 375 1 2 . 1 1 34 34 THR C C 34 173.597 173.597 174.567 -0.970 19147 376 1 2 . 1 1 34 34 THR CA C 34 60.450 60.450 60.184 0.265 19147 377 1 2 . 1 1 34 34 THR CB C 34 70.553 70.553 70.043 0.510 19147 378 1 2 . 1 1 34 34 THR H H 34 8.269 8.269 7.994 0.275 19147 379 1 2 . 1 1 35 35 CYS N N 35 133.180 133.180 127.022 6.158 19147 380 1 2 . 1 1 35 35 CYS HA H 35 3.909 3.909 4.121 -0.212 19147 381 1 2 . 1 1 35 35 CYS C C 35 175.825 175.825 174.944 0.881 19147 382 1 2 . 1 1 35 35 CYS CA C 35 61.216 61.216 61.372 -0.156 19147 383 1 2 . 1 1 35 35 CYS CB C 35 31.563 31.563 28.992 2.571 19147 384 1 2 . 1 1 35 35 CYS H H 35 9.133 9.133 8.457 0.676 19147 385 1 2 . 1 1 36 36 LYS N N 36 125.753 125.753 127.680 -1.927 19147 386 1 2 . 1 1 36 36 LYS HA H 36 4.324 4.324 4.350 -0.026 19147 387 1 2 . 1 1 36 36 LYS C C 36 176.323 176.323 175.411 0.912 19147 388 1 2 . 1 1 36 36 LYS CA C 36 55.921 55.921 55.113 0.808 19147 389 1 2 . 1 1 36 36 LYS CB C 36 32.422 32.422 31.625 0.797 19147 390 1 2 . 1 1 36 36 LYS H H 36 8.343 8.343 8.116 0.227 19147 391 1 2 . 1 1 37 37 ARG N N 37 127.726 127.726 120.361 7.365 19147 392 1 2 . 1 1 37 37 ARG HA H 37 4.133 4.133 4.540 -0.407 19147 393 1 2 . 1 1 37 37 ARG C C 37 177.650 177.650 177.188 0.462 19147 394 1 2 . 1 1 37 37 ARG CA C 37 56.595 56.595 55.256 1.339 19147 395 1 2 . 1 1 37 37 ARG CB C 37 30.759 30.759 31.703 -0.944 19147 396 1 2 . 1 1 37 37 ARG H H 37 9.381 9.381 7.402 1.979 19147 397 1 2 . 1 1 38 38 GLU N N 38 131.710 131.710 126.755 4.955 19147 398 1 2 . 1 1 38 38 GLU HA H 38 3.933 3.933 4.059 -0.126 19147 399 1 2 . 1 1 38 38 GLU C C 38 177.342 177.342 177.320 0.022 19147 400 1 2 . 1 1 38 38 GLU CA C 38 58.288 58.288 59.141 -0.853 19147 401 1 2 . 1 1 38 38 GLU CB C 38 28.628 28.628 29.454 -0.826 19147 402 1 2 . 1 1 38 38 GLU H H 38 9.079 9.079 9.045 0.034 19147 403 1 2 . 1 1 39 39 GLY N N 39 112.546 112.546 105.653 6.893 19147 404 1 2 . 1 1 39 39 GLY C C 39 173.431 173.431 174.395 -0.964 19147 405 1 2 . 1 1 39 39 GLY CA C 39 44.725 44.725 45.541 -0.817 19147 406 1 2 . 1 1 39 39 GLY H H 39 8.693 8.693 8.370 0.323 19147 407 1 2 . 1 1 40 40 CYS N N 40 123.383 123.383 117.964 5.419 19147 408 1 2 . 1 1 40 40 CYS HA H 40 4.492 4.492 4.646 -0.154 19147 409 1 2 . 1 1 40 40 CYS C C 40 175.659 175.659 175.258 0.401 19147 410 1 2 . 1 1 40 40 CYS CA C 40 59.558 59.558 59.566 -0.008 19147 411 1 2 . 1 1 40 40 CYS CB C 40 30.181 30.181 30.370 -0.189 19147 412 1 2 . 1 1 40 40 CYS H H 40 7.838 7.838 7.891 -0.053 19147 413 1 2 . 1 1 41 41 GLY N N 41 108.697 108.697 109.502 -0.805 19147 414 1 2 . 1 1 41 41 GLY C C 41 174.261 174.261 173.471 0.790 19147 415 1 2 . 1 1 41 41 GLY CA C 41 46.283 46.283 46.289 -0.006 19147 416 1 2 . 1 1 41 41 GLY H H 41 8.109 8.109 8.175 -0.066 19147 417 1 2 . 1 1 42 42 PHE N N 42 124.198 124.198 116.217 7.981 19147 418 1 2 . 1 1 42 42 PHE HA H 42 4.579 4.579 4.928 -0.349 19147 419 1 2 . 1 1 42 42 PHE C C 42 172.886 172.886 173.727 -0.841 19147 420 1 2 . 1 1 42 42 PHE CA C 42 58.164 58.164 54.523 3.641 19147 421 1 2 . 1 1 42 42 PHE CB C 42 38.872 38.872 41.220 -2.348 19147 422 1 2 . 1 1 42 42 PHE H H 42 8.140 8.140 7.736 0.404 19147 423 1 2 . 1 1 43 43 ASP N N 43 129.158 129.158 122.251 6.907 19147 424 1 2 . 1 1 43 43 ASP HA H 43 5.377 5.377 4.670 0.707 19147 425 1 2 . 1 1 43 43 ASP C C 43 175.493 175.493 175.271 0.222 19147 426 1 2 . 1 1 43 43 ASP CA C 43 51.991 51.991 54.099 -2.108 19147 427 1 2 . 1 1 43 43 ASP CB C 43 42.089 42.089 42.148 -0.059 19147 428 1 2 . 1 1 43 43 ASP H H 43 7.830 7.830 8.610 -0.780 19147 429 1 2 . 1 1 44 44 TYR N N 44 121.015 121.015 117.511 3.504 19147 430 1 2 . 1 1 44 44 TYR HA H 44 5.072 5.072 5.023 0.049 19147 431 1 2 . 1 1 44 44 TYR C C 44 173.882 173.882 173.629 0.253 19147 432 1 2 . 1 1 44 44 TYR CA C 44 54.551 54.551 56.501 -1.950 19147 433 1 2 . 1 1 44 44 TYR CB C 44 41.061 41.061 39.708 1.353 19147 434 1 2 . 1 1 44 44 TYR H H 44 9.264 9.264 7.914 1.350 19147 435 1 2 . 1 1 45 45 CYS N N 45 121.008 121.008 121.234 -0.226 19147 436 1 2 . 1 1 45 45 CYS HA H 45 5.157 5.157 4.532 0.625 19147 437 1 2 . 1 1 45 45 CYS C C 45 178.385 178.385 175.694 2.691 19147 438 1 2 . 1 1 45 45 CYS CA C 45 56.934 56.934 61.517 -4.583 19147 439 1 2 . 1 1 45 45 CYS CB C 45 31.953 31.953 29.855 2.098 19147 440 1 2 . 1 1 45 45 CYS H H 45 8.420 8.420 8.992 -0.572 19147 441 1 2 . 1 1 46 46 THR N N 46 120.657 120.657 121.483 -0.826 19147 442 1 2 . 1 1 46 46 THR HA H 46 4.090 4.090 4.271 -0.181 19147 443 1 2 . 1 1 46 46 THR C C 46 174.593 174.593 175.121 -0.528 19147 444 1 2 . 1 1 46 46 THR CA C 46 64.084 64.084 63.407 0.677 19147 445 1 2 . 1 1 46 46 THR CB C 46 66.577 66.577 68.724 -2.147 19147 446 1 2 . 1 1 46 46 THR H H 46 8.518 8.518 8.723 -0.205 19147 447 1 2 . 1 1 47 47 LYS N N 47 124.516 124.516 119.582 4.934 19147 448 1 2 . 1 1 47 47 LYS HA H 47 4.377 4.377 4.397 -0.020 19147 449 1 2 . 1 1 47 47 LYS C C 47 177.319 177.319 177.325 -0.006 19147 450 1 2 . 1 1 47 47 LYS CA C 47 58.163 58.163 58.459 -0.296 19147 451 1 2 . 1 1 47 47 LYS CB C 47 32.753 32.753 32.376 0.377 19147 452 1 2 . 1 1 47 47 LYS H H 47 9.452 9.452 8.307 1.145 19147 453 1 2 . 1 1 48 48 CYS N N 48 116.543 116.543 116.350 0.193 19147 454 1 2 . 1 1 48 48 CYS HA H 48 4.817 4.817 4.653 0.164 19147 455 1 2 . 1 1 48 48 CYS C C 48 175.920 175.920 175.281 0.639 19147 456 1 2 . 1 1 48 48 CYS CA C 48 57.997 57.997 58.389 -0.392 19147 457 1 2 . 1 1 48 48 CYS CB C 48 32.109 32.109 28.521 3.588 19147 458 1 2 . 1 1 48 48 CYS H H 48 8.244 8.244 8.181 0.063 19147 459 1 2 . 1 1 49 49 LEU N N 49 118.590 118.590 119.711 -1.121 19147 460 1 2 . 1 1 49 49 LEU HA H 49 4.247 4.247 4.401 -0.154 19147 461 1 2 . 1 1 49 49 LEU C C 49 176.916 176.916 175.879 1.037 19147 462 1 2 . 1 1 49 49 LEU CA C 49 56.333 56.333 55.932 0.401 19147 463 1 2 . 1 1 49 49 LEU CB C 49 36.861 36.861 40.107 -3.246 19147 464 1 2 . 1 1 49 49 LEU H H 49 8.181 8.181 8.058 0.123 19147 465 1 2 . 1 1 50 50 CYS N N 50 115.484 115.484 114.288 1.196 19147 466 1 2 . 1 1 50 50 CYS HA H 50 4.938 4.938 4.838 0.100 19147 467 1 2 . 1 1 50 50 CYS C C 50 173.194 173.194 173.857 -0.663 19147 468 1 2 . 1 1 50 50 CYS CA C 50 57.589 57.589 55.033 2.556 19147 469 1 2 . 1 1 50 50 CYS CB C 50 30.662 30.662 30.519 0.143 19147 470 1 2 . 1 1 50 50 CYS H H 50 8.001 8.001 7.710 0.291 19147 471 1 2 . 1 1 51 51 ASN N N 51 116.975 116.975 118.622 -1.647 19147 472 1 2 . 1 1 51 51 ASN HA H 51 4.427 4.427 4.587 -0.160 19147 473 1 2 . 1 1 51 51 ASN C C 51 174.640 174.640 174.914 -0.274 19147 474 1 2 . 1 1 51 51 ASN CA C 51 54.190 54.190 54.787 -0.597 19147 475 1 2 . 1 1 51 51 ASN CB C 51 38.421 38.421 38.735 -0.314 19147 476 1 2 . 1 1 51 51 ASN H H 51 8.453 8.453 8.699 -0.246 19147 477 1 2 . 1 1 52 52 TYR N N 52 123.645 123.645 126.292 -2.647 19147 478 1 2 . 1 1 52 52 TYR HA H 52 3.628 3.628 4.550 -0.922 19147 479 1 2 . 1 1 52 52 TYR C C 52 173.953 173.953 175.656 -1.703 19147 480 1 2 . 1 1 52 52 TYR CA C 52 61.742 61.742 58.587 3.155 19147 481 1 2 . 1 1 52 52 TYR CB C 52 37.030 37.030 39.999 -2.970 19147 482 1 2 . 1 1 52 52 TYR H H 52 8.903 8.903 8.610 0.293 19147 483 1 2 . 1 1 53 53 HIS N N 53 123.135 123.135 125.450 -2.315 19147 484 1 2 . 1 1 53 53 HIS HA H 53 4.673 4.673 4.423 0.250 19147 485 1 2 . 1 1 53 53 HIS C C 53 173.360 173.360 174.683 -1.323 19147 486 1 2 . 1 1 53 53 HIS CA C 53 51.116 51.116 57.392 -6.276 19147 487 1 2 . 1 1 53 53 HIS CB C 53 29.297 29.297 28.071 1.226 19147 488 1 2 . 1 1 53 53 HIS H H 53 5.918 5.918 8.120 -2.202 19147 489 1 2 . 1 1 54 54 THR N N 54 110.786 110.786 116.506 -5.720 19147 490 1 2 . 1 1 54 54 THR HA H 54 3.786 3.786 4.523 -0.737 19147 491 1 2 . 1 1 54 54 THR C C 54 175.778 175.778 173.998 1.780 19147 492 1 2 . 1 1 54 54 THR CA C 54 62.088 62.088 62.824 -0.736 19147 493 1 2 . 1 1 54 54 THR CB C 54 68.634 68.634 69.438 -0.804 19147 494 1 2 . 1 1 54 54 THR H H 54 7.632 7.632 8.383 -0.751 19147 495 1 2 . 1 1 55 55 THR N N 55 113.157 113.157 116.233 -3.076 19147 496 1 2 . 1 1 55 55 THR HA H 55 4.656 4.656 4.569 0.087 19147 497 1 2 . 1 1 55 55 THR C C 55 175.209 175.209 174.332 0.877 19147 498 1 2 . 1 1 55 55 THR CA C 55 60.909 60.909 62.385 -1.476 19147 499 1 2 . 1 1 55 55 THR CB C 55 68.720 68.720 69.359 -0.639 19147 500 1 2 . 1 1 55 55 THR H H 55 7.746 7.746 7.805 -0.059 19147 501 1 2 . 1 1 56 56 LYS N N 56 122.548 122.548 120.656 1.892 19147 502 1 2 . 1 1 56 56 LYS HA H 56 4.247 4.247 4.032 0.215 19147 503 1 2 . 1 1 56 56 LYS C C 56 176.726 176.726 175.218 1.508 19147 504 1 2 . 1 1 56 56 LYS CA C 56 56.714 56.714 57.796 -1.082 19147 505 1 2 . 1 1 56 56 LYS CB C 56 32.279 32.279 31.820 0.459 19147 506 1 2 . 1 1 56 56 LYS H H 56 8.344 8.344 8.346 -0.002 19147 507 1 2 . 1 1 57 57 ASP N N 57 119.260 119.260 117.303 1.957 19147 508 1 2 . 1 1 57 57 ASP HA H 57 4.684 4.684 4.652 0.032 19147 509 1 2 . 1 1 57 57 ASP C C 57 176.323 176.323 174.280 2.043 19147 510 1 2 . 1 1 57 57 ASP CA C 57 53.331 53.331 53.648 -0.317 19147 511 1 2 . 1 1 57 57 ASP CB C 57 41.168 41.168 41.933 -0.765 19147 512 1 2 . 1 1 57 57 ASP H H 57 8.201 8.201 7.739 0.462 19147 513 1 3 . 1 1 14 14 LEU N N 14 123.914 123.914 123.450 0.464 19147 514 1 3 . 1 1 14 14 LEU HA H 14 4.914 4.914 4.389 0.525 19147 515 1 3 . 1 1 14 14 LEU C C 14 176.963 176.963 177.005 -0.042 19147 516 1 3 . 1 1 14 14 LEU CA C 14 54.055 54.055 55.802 -1.747 19147 517 1 3 . 1 1 14 14 LEU CB C 14 44.013 44.013 42.571 1.442 19147 518 1 3 . 1 1 14 14 LEU H H 14 8.089 8.089 8.067 0.022 19147 519 1 3 . 1 1 15 15 LYS N N 15 121.013 121.013 120.034 0.979 19147 520 1 3 . 1 1 15 15 LYS HA H 15 4.323 4.323 4.555 -0.232 19147 521 1 3 . 1 1 15 15 LYS C C 15 174.711 174.711 175.555 -0.844 19147 522 1 3 . 1 1 15 15 LYS CA C 15 53.956 53.956 53.664 0.292 19147 523 1 3 . 1 1 15 15 LYS CB C 15 35.171 35.171 34.276 0.895 19147 524 1 3 . 1 1 15 15 LYS H H 15 8.548 8.548 8.607 -0.059 19147 525 1 3 . 1 1 16 16 ALA N N 16 124.835 124.835 122.929 1.906 19147 526 1 3 . 1 1 16 16 ALA HA H 16 4.424 4.424 4.755 -0.331 19147 527 1 3 . 1 1 16 16 ALA C C 16 176.513 176.513 177.540 -1.027 19147 528 1 3 . 1 1 16 16 ALA CA C 16 50.701 50.701 50.746 -0.045 19147 529 1 3 . 1 1 16 16 ALA CB C 16 19.404 19.404 18.988 0.415 19147 530 1 3 . 1 1 16 16 ALA H H 16 8.119 8.119 8.384 -0.265 19147 531 1 3 . 1 1 17 17 CYS N N 17 125.963 125.963 123.297 2.666 19147 532 1 3 . 1 1 17 17 CYS HA H 17 4.530 4.530 4.320 0.210 19147 533 1 3 . 1 1 17 17 CYS C C 17 179.428 179.428 177.276 2.152 19147 534 1 3 . 1 1 17 17 CYS CA C 17 59.687 59.687 59.584 0.103 19147 535 1 3 . 1 1 17 17 CYS CB C 17 31.087 31.087 29.517 1.570 19147 536 1 3 . 1 1 17 17 CYS H H 17 9.517 9.517 8.217 1.300 19147 537 1 3 . 1 1 18 18 ILE N N 18 124.917 124.917 120.376 4.541 19147 538 1 3 . 1 1 18 18 ILE HA H 18 4.039 4.039 4.166 -0.127 19147 539 1 3 . 1 1 18 18 ILE C C 18 175.825 175.825 176.230 -0.405 19147 540 1 3 . 1 1 18 18 ILE CA C 18 62.353 62.353 62.591 -0.238 19147 541 1 3 . 1 1 18 18 ILE CB C 18 37.671 37.671 37.978 -0.307 19147 542 1 3 . 1 1 18 18 ILE H H 18 7.244 7.244 8.516 -1.272 19147 543 1 3 . 1 1 19 19 ARG N N 19 124.247 124.247 122.031 2.216 19147 544 1 3 . 1 1 19 19 ARG HA H 19 4.235 4.235 4.195 0.040 19147 545 1 3 . 1 1 19 19 ARG C C 19 177.413 177.413 176.315 1.098 19147 546 1 3 . 1 1 19 19 ARG CA C 19 57.820 57.820 58.385 -0.565 19147 547 1 3 . 1 1 19 19 ARG CB C 19 31.496 31.496 30.657 0.839 19147 548 1 3 . 1 1 19 19 ARG H H 19 9.392 9.392 8.313 1.079 19147 549 1 3 . 1 1 20 20 CYS N N 20 118.959 118.959 113.439 5.520 19147 550 1 3 . 1 1 20 20 CYS HA H 20 4.933 4.933 4.778 0.155 19147 551 1 3 . 1 1 20 20 CYS C C 20 178.409 178.409 173.410 4.999 19147 552 1 3 . 1 1 20 20 CYS CA C 20 58.663 58.663 56.661 2.002 19147 553 1 3 . 1 1 20 20 CYS CB C 20 32.067 32.067 29.014 3.054 19147 554 1 3 . 1 1 20 20 CYS H H 20 8.541 8.541 7.820 0.721 19147 555 1 3 . 1 1 21 21 ASN N N 21 120.450 120.450 119.181 1.269 19147 556 1 3 . 1 1 21 21 ASN HA H 21 4.422 4.422 4.459 -0.037 19147 557 1 3 . 1 1 21 21 ASN C C 21 174.237 174.237 174.065 0.172 19147 558 1 3 . 1 1 21 21 ASN CA C 21 55.172 55.172 54.440 0.732 19147 559 1 3 . 1 1 21 21 ASN CB C 21 38.545 38.545 36.495 2.050 19147 560 1 3 . 1 1 21 21 ASN H H 21 8.533 8.533 8.185 0.348 19147 561 1 3 . 1 1 22 22 SER N N 22 119.717 119.717 114.674 5.043 19147 562 1 3 . 1 1 22 22 SER HA H 22 4.643 4.643 4.718 -0.075 19147 563 1 3 . 1 1 22 22 SER CA C 22 58.269 58.269 57.131 1.138 19147 564 1 3 . 1 1 22 22 SER CB C 22 61.998 61.998 64.660 -2.662 19147 565 1 3 . 1 1 22 22 SER H H 22 8.742 8.742 8.264 0.478 19147 566 1 3 . 1 1 23 23 PRO HA H 23 4.375 4.375 4.535 -0.160 19147 567 1 3 . 1 1 23 23 PRO CA C 23 64.211 64.211 63.092 1.119 19147 568 1 3 . 1 1 23 23 PRO CB C 23 31.883 31.883 31.024 0.859 19147 569 1 3 . 1 1 24 24 ALA N N 24 126.670 126.670 128.416 -1.746 19147 570 1 3 . 1 1 24 24 ALA HA H 24 4.756 4.756 4.785 -0.029 19147 571 1 3 . 1 1 24 24 ALA C C 24 176.157 176.157 176.357 -0.200 19147 572 1 3 . 1 1 24 24 ALA CA C 24 49.817 49.817 50.042 -0.225 19147 573 1 3 . 1 1 24 24 ALA CB C 24 19.920 19.920 21.880 -1.960 19147 574 1 3 . 1 1 24 24 ALA H H 24 8.732 8.732 8.712 0.020 19147 575 1 3 . 1 1 25 25 LYS N N 25 122.456 122.456 126.937 -4.481 19147 576 1 3 . 1 1 25 25 LYS HA H 25 4.260 4.260 4.094 0.166 19147 577 1 3 . 1 1 25 25 LYS C C 25 175.612 175.612 175.132 0.480 19147 578 1 3 . 1 1 25 25 LYS CA C 25 56.269 56.269 55.822 0.447 19147 579 1 3 . 1 1 25 25 LYS CB C 25 32.912 32.912 32.445 0.467 19147 580 1 3 . 1 1 25 25 LYS H H 25 8.045 8.045 8.409 -0.364 19147 581 1 3 . 1 1 26 26 TYR N N 26 128.452 128.452 129.796 -1.344 19147 582 1 3 . 1 1 26 26 TYR HA H 26 5.275 5.275 4.834 0.441 19147 583 1 3 . 1 1 26 26 TYR C C 26 173.550 173.550 175.275 -1.725 19147 584 1 3 . 1 1 26 26 TYR CA C 26 54.572 54.572 56.730 -2.158 19147 585 1 3 . 1 1 26 26 TYR CB C 26 40.463 40.463 39.558 0.905 19147 586 1 3 . 1 1 26 26 TYR H H 26 8.734 8.734 8.316 0.418 19147 587 1 3 . 1 1 27 27 ASP N N 27 129.563 129.563 129.773 -0.210 19147 588 1 3 . 1 1 27 27 ASP HA H 27 4.525 4.525 4.718 -0.193 19147 589 1 3 . 1 1 27 27 ASP C C 27 175.920 175.920 176.091 -0.171 19147 590 1 3 . 1 1 27 27 ASP CA C 27 51.470 51.470 52.663 -1.193 19147 591 1 3 . 1 1 27 27 ASP CB C 27 42.426 42.426 41.831 0.595 19147 592 1 3 . 1 1 27 27 ASP H H 27 8.714 8.714 9.041 -0.327 19147 593 1 3 . 1 1 28 28 CYS N N 28 122.534 122.534 123.032 -0.498 19147 594 1 3 . 1 1 28 28 CYS HA H 28 3.753 3.753 4.019 -0.266 19147 595 1 3 . 1 1 28 28 CYS C C 28 175.043 175.043 175.395 -0.352 19147 596 1 3 . 1 1 28 28 CYS CA C 28 58.504 58.504 59.360 -0.856 19147 597 1 3 . 1 1 28 28 CYS CB C 28 26.501 26.501 26.826 -0.325 19147 598 1 3 . 1 1 28 28 CYS H H 28 8.226 8.226 8.268 -0.042 19147 599 1 3 . 1 1 29 29 TYR N N 29 123.853 123.853 119.772 4.081 19147 600 1 3 . 1 1 29 29 TYR HA H 29 4.319 4.319 4.171 0.148 19147 601 1 3 . 1 1 29 29 TYR C C 29 177.722 177.722 176.365 1.357 19147 602 1 3 . 1 1 29 29 TYR CA C 29 59.695 59.695 60.887 -1.192 19147 603 1 3 . 1 1 29 29 TYR CB C 29 37.305 37.305 38.706 -1.401 19147 604 1 3 . 1 1 29 29 TYR H H 29 8.206 8.206 7.907 0.299 19147 605 1 3 . 1 1 30 30 LEU N N 30 117.184 117.184 114.860 2.324 19147 606 1 3 . 1 1 30 30 LEU HA H 30 4.068 4.068 4.647 -0.579 19147 607 1 3 . 1 1 30 30 LEU C C 30 177.058 177.058 175.425 1.633 19147 608 1 3 . 1 1 30 30 LEU CA C 30 53.970 53.970 54.012 -0.042 19147 609 1 3 . 1 1 30 30 LEU CB C 30 42.216 42.216 42.509 -0.293 19147 610 1 3 . 1 1 30 30 LEU H H 30 7.681 7.681 7.580 0.101 19147 611 1 3 . 1 1 31 31 GLN N N 31 115.267 115.267 115.301 -0.034 19147 612 1 3 . 1 1 31 31 GLN HA H 31 3.551 3.551 4.086 -0.535 19147 613 1 3 . 1 1 31 31 GLN C C 31 173.739 173.739 174.762 -1.023 19147 614 1 3 . 1 1 31 31 GLN CA C 31 57.133 57.133 57.278 -0.145 19147 615 1 3 . 1 1 31 31 GLN CB C 31 25.119 25.119 26.171 -1.052 19147 616 1 3 . 1 1 31 31 GLN H H 31 7.740 7.740 8.001 -0.261 19147 617 1 3 . 1 1 32 32 ARG N N 32 120.485 120.485 114.636 5.849 19147 618 1 3 . 1 1 32 32 ARG HA H 32 5.053 5.053 4.945 0.108 19147 619 1 3 . 1 1 32 32 ARG C C 32 173.384 173.384 173.925 -0.541 19147 620 1 3 . 1 1 32 32 ARG CA C 32 52.928 52.928 53.727 -0.799 19147 621 1 3 . 1 1 32 32 ARG CB C 32 36.499 36.499 33.749 2.750 19147 622 1 3 . 1 1 32 32 ARG H H 32 7.213 7.213 7.775 -0.562 19147 623 1 3 . 1 1 33 33 ALA N N 33 130.237 130.237 122.415 7.822 19147 624 1 3 . 1 1 33 33 ALA HA H 33 5.295 5.295 5.407 -0.112 19147 625 1 3 . 1 1 33 33 ALA C C 33 174.522 174.522 175.193 -0.671 19147 626 1 3 . 1 1 33 33 ALA CA C 33 49.099 49.099 50.334 -1.235 19147 627 1 3 . 1 1 33 33 ALA CB C 33 20.309 20.309 22.271 -1.962 19147 628 1 3 . 1 1 33 33 ALA H H 33 8.763 8.763 8.790 -0.027 19147 629 1 3 . 1 1 34 34 THR N N 34 114.351 114.351 118.339 -3.988 19147 630 1 3 . 1 1 34 34 THR HA H 34 4.904 4.904 4.822 0.082 19147 631 1 3 . 1 1 34 34 THR C C 34 173.597 173.597 174.347 -0.750 19147 632 1 3 . 1 1 34 34 THR CA C 34 60.450 60.450 60.470 -0.020 19147 633 1 3 . 1 1 34 34 THR CB C 34 70.553 70.553 70.238 0.315 19147 634 1 3 . 1 1 34 34 THR H H 34 8.269 8.269 8.064 0.205 19147 635 1 3 . 1 1 35 35 CYS N N 35 133.180 133.180 127.030 6.150 19147 636 1 3 . 1 1 35 35 CYS HA H 35 3.909 3.909 4.134 -0.225 19147 637 1 3 . 1 1 35 35 CYS C C 35 175.825 175.825 174.841 0.984 19147 638 1 3 . 1 1 35 35 CYS CA C 35 61.216 61.216 61.080 0.136 19147 639 1 3 . 1 1 35 35 CYS CB C 35 31.563 31.563 28.931 2.632 19147 640 1 3 . 1 1 35 35 CYS H H 35 9.133 9.133 8.539 0.594 19147 641 1 3 . 1 1 36 36 LYS N N 36 125.753 125.753 127.683 -1.930 19147 642 1 3 . 1 1 36 36 LYS HA H 36 4.324 4.324 4.313 0.011 19147 643 1 3 . 1 1 36 36 LYS C C 36 176.323 176.323 175.442 0.881 19147 644 1 3 . 1 1 36 36 LYS CA C 36 55.921 55.921 55.291 0.630 19147 645 1 3 . 1 1 36 36 LYS CB C 36 32.422 32.422 31.632 0.790 19147 646 1 3 . 1 1 36 36 LYS H H 36 8.343 8.343 8.119 0.224 19147 647 1 3 . 1 1 37 37 ARG N N 37 127.726 127.726 120.616 7.110 19147 648 1 3 . 1 1 37 37 ARG HA H 37 4.133 4.133 4.459 -0.326 19147 649 1 3 . 1 1 37 37 ARG C C 37 177.650 177.650 177.187 0.463 19147 650 1 3 . 1 1 37 37 ARG CA C 37 56.595 56.595 55.455 1.140 19147 651 1 3 . 1 1 37 37 ARG CB C 37 30.759 30.759 31.218 -0.459 19147 652 1 3 . 1 1 37 37 ARG H H 37 9.381 9.381 7.457 1.924 19147 653 1 3 . 1 1 38 38 GLU N N 38 131.710 131.710 126.881 4.829 19147 654 1 3 . 1 1 38 38 GLU HA H 38 3.933 3.933 4.051 -0.118 19147 655 1 3 . 1 1 38 38 GLU C C 38 177.342 177.342 177.359 -0.017 19147 656 1 3 . 1 1 38 38 GLU CA C 38 58.288 58.288 59.167 -0.879 19147 657 1 3 . 1 1 38 38 GLU CB C 38 28.628 28.628 29.444 -0.816 19147 658 1 3 . 1 1 38 38 GLU H H 38 9.079 9.079 9.034 0.045 19147 659 1 3 . 1 1 39 39 GLY N N 39 112.546 112.546 105.759 6.787 19147 660 1 3 . 1 1 39 39 GLY C C 39 173.431 173.431 174.284 -0.853 19147 661 1 3 . 1 1 39 39 GLY CA C 39 44.725 44.725 45.412 -0.687 19147 662 1 3 . 1 1 39 39 GLY H H 39 8.693 8.693 8.386 0.307 19147 663 1 3 . 1 1 40 40 CYS N N 40 123.383 123.383 117.757 5.626 19147 664 1 3 . 1 1 40 40 CYS HA H 40 4.492 4.492 4.596 -0.104 19147 665 1 3 . 1 1 40 40 CYS C C 40 175.659 175.659 174.862 0.797 19147 666 1 3 . 1 1 40 40 CYS CA C 40 59.558 59.558 59.731 -0.173 19147 667 1 3 . 1 1 40 40 CYS CB C 40 30.181 30.181 30.629 -0.448 19147 668 1 3 . 1 1 40 40 CYS H H 40 7.838 7.838 7.817 0.021 19147 669 1 3 . 1 1 41 41 GLY N N 41 108.697 108.697 109.722 -1.025 19147 670 1 3 . 1 1 41 41 GLY C C 41 174.261 174.261 173.398 0.863 19147 671 1 3 . 1 1 41 41 GLY CA C 41 46.283 46.283 46.202 0.081 19147 672 1 3 . 1 1 41 41 GLY H H 41 8.109 8.109 8.154 -0.045 19147 673 1 3 . 1 1 42 42 PHE N N 42 124.198 124.198 117.551 6.647 19147 674 1 3 . 1 1 42 42 PHE HA H 42 4.579 4.579 4.898 -0.319 19147 675 1 3 . 1 1 42 42 PHE C C 42 172.886 172.886 173.935 -1.049 19147 676 1 3 . 1 1 42 42 PHE CA C 42 58.164 58.164 53.950 4.214 19147 677 1 3 . 1 1 42 42 PHE CB C 42 38.872 38.872 41.062 -2.189 19147 678 1 3 . 1 1 42 42 PHE H H 42 8.140 8.140 7.733 0.407 19147 679 1 3 . 1 1 43 43 ASP N N 43 129.158 129.158 121.169 7.989 19147 680 1 3 . 1 1 43 43 ASP HA H 43 5.377 5.377 4.577 0.799 19147 681 1 3 . 1 1 43 43 ASP C C 43 175.493 175.493 175.100 0.393 19147 682 1 3 . 1 1 43 43 ASP CA C 43 51.991 51.991 53.606 -1.615 19147 683 1 3 . 1 1 43 43 ASP CB C 43 42.089 42.089 42.281 -0.192 19147 684 1 3 . 1 1 43 43 ASP H H 43 7.830 7.830 8.550 -0.720 19147 685 1 3 . 1 1 44 44 TYR N N 44 121.015 121.015 116.286 4.729 19147 686 1 3 . 1 1 44 44 TYR HA H 44 5.072 5.072 5.017 0.055 19147 687 1 3 . 1 1 44 44 TYR C C 44 173.882 173.882 173.469 0.413 19147 688 1 3 . 1 1 44 44 TYR CA C 44 54.551 54.551 56.734 -2.183 19147 689 1 3 . 1 1 44 44 TYR CB C 44 41.061 41.061 39.496 1.565 19147 690 1 3 . 1 1 44 44 TYR H H 44 9.264 9.264 7.700 1.564 19147 691 1 3 . 1 1 45 45 CYS N N 45 121.008 121.008 121.156 -0.148 19147 692 1 3 . 1 1 45 45 CYS HA H 45 5.157 5.157 4.733 0.424 19147 693 1 3 . 1 1 45 45 CYS C C 45 178.385 178.385 175.850 2.535 19147 694 1 3 . 1 1 45 45 CYS CA C 45 56.934 56.934 60.057 -3.123 19147 695 1 3 . 1 1 45 45 CYS CB C 45 31.953 31.953 29.867 2.086 19147 696 1 3 . 1 1 45 45 CYS H H 45 8.420 8.420 8.907 -0.487 19147 697 1 3 . 1 1 46 46 THR N N 46 120.657 120.657 121.170 -0.513 19147 698 1 3 . 1 1 46 46 THR HA H 46 4.090 4.090 4.157 -0.067 19147 699 1 3 . 1 1 46 46 THR C C 46 174.593 174.593 175.512 -0.919 19147 700 1 3 . 1 1 46 46 THR CA C 46 64.084 64.084 64.609 -0.525 19147 701 1 3 . 1 1 46 46 THR CB C 46 66.577 66.577 68.694 -2.117 19147 702 1 3 . 1 1 46 46 THR H H 46 8.518 8.518 8.595 -0.077 19147 703 1 3 . 1 1 47 47 LYS N N 47 124.516 124.516 120.929 3.587 19147 704 1 3 . 1 1 47 47 LYS HA H 47 4.377 4.377 4.191 0.186 19147 705 1 3 . 1 1 47 47 LYS C C 47 177.319 177.319 177.666 -0.347 19147 706 1 3 . 1 1 47 47 LYS CA C 47 58.163 58.163 58.942 -0.779 19147 707 1 3 . 1 1 47 47 LYS CB C 47 32.753 32.753 32.191 0.561 19147 708 1 3 . 1 1 47 47 LYS H H 47 9.452 9.452 7.995 1.457 19147 709 1 3 . 1 1 48 48 CYS N N 48 116.543 116.543 115.821 0.722 19147 710 1 3 . 1 1 48 48 CYS HA H 48 4.817 4.817 4.724 0.093 19147 711 1 3 . 1 1 48 48 CYS C C 48 175.920 175.920 174.624 1.296 19147 712 1 3 . 1 1 48 48 CYS CA C 48 57.997 57.997 58.620 -0.623 19147 713 1 3 . 1 1 48 48 CYS CB C 48 32.109 32.109 28.627 3.482 19147 714 1 3 . 1 1 48 48 CYS H H 48 8.244 8.244 8.208 0.036 19147 715 1 3 . 1 1 49 49 LEU N N 49 118.590 118.590 118.675 -0.085 19147 716 1 3 . 1 1 49 49 LEU HA H 49 4.247 4.247 4.272 -0.025 19147 717 1 3 . 1 1 49 49 LEU C C 49 176.916 176.916 175.668 1.248 19147 718 1 3 . 1 1 49 49 LEU CA C 49 56.333 56.333 55.777 0.556 19147 719 1 3 . 1 1 49 49 LEU CB C 49 36.861 36.861 39.350 -2.489 19147 720 1 3 . 1 1 49 49 LEU H H 49 8.181 8.181 8.108 0.073 19147 721 1 3 . 1 1 50 50 CYS N N 50 115.484 115.484 116.872 -1.388 19147 722 1 3 . 1 1 50 50 CYS HA H 50 4.938 4.938 4.693 0.245 19147 723 1 3 . 1 1 50 50 CYS C C 50 173.194 173.194 173.811 -0.617 19147 724 1 3 . 1 1 50 50 CYS CA C 50 57.589 57.589 56.481 1.108 19147 725 1 3 . 1 1 50 50 CYS CB C 50 30.662 30.662 31.458 -0.796 19147 726 1 3 . 1 1 50 50 CYS H H 50 8.001 8.001 7.704 0.297 19147 727 1 3 . 1 1 51 51 ASN N N 51 116.975 116.975 120.844 -3.869 19147 728 1 3 . 1 1 51 51 ASN HA H 51 4.427 4.427 4.595 -0.168 19147 729 1 3 . 1 1 51 51 ASN C C 51 174.640 174.640 174.652 -0.012 19147 730 1 3 . 1 1 51 51 ASN CA C 51 54.190 54.190 54.408 -0.218 19147 731 1 3 . 1 1 51 51 ASN CB C 51 38.421 38.421 38.773 -0.352 19147 732 1 3 . 1 1 51 51 ASN H H 51 8.453 8.453 8.678 -0.225 19147 733 1 3 . 1 1 52 52 TYR N N 52 123.645 123.645 124.336 -0.691 19147 734 1 3 . 1 1 52 52 TYR HA H 52 3.628 3.628 4.237 -0.609 19147 735 1 3 . 1 1 52 52 TYR C C 52 173.953 173.953 175.343 -1.390 19147 736 1 3 . 1 1 52 52 TYR CA C 52 61.742 61.742 58.925 2.817 19147 737 1 3 . 1 1 52 52 TYR CB C 52 37.030 37.030 39.219 -2.189 19147 738 1 3 . 1 1 52 52 TYR H H 52 8.903 8.903 8.406 0.497 19147 739 1 3 . 1 1 53 53 HIS N N 53 123.135 123.135 122.208 0.927 19147 740 1 3 . 1 1 53 53 HIS HA H 53 4.673 4.673 4.281 0.392 19147 741 1 3 . 1 1 53 53 HIS C C 53 173.360 173.360 174.889 -1.529 19147 742 1 3 . 1 1 53 53 HIS CA C 53 51.116 51.116 57.458 -6.342 19147 743 1 3 . 1 1 53 53 HIS CB C 53 29.297 29.297 28.061 1.236 19147 744 1 3 . 1 1 53 53 HIS H H 53 5.918 5.918 7.920 -2.002 19147 745 1 3 . 1 1 54 54 THR N N 54 110.786 110.786 115.959 -5.173 19147 746 1 3 . 1 1 54 54 THR HA H 54 3.786 3.786 4.652 -0.866 19147 747 1 3 . 1 1 54 54 THR C C 54 175.778 175.778 175.864 -0.086 19147 748 1 3 . 1 1 54 54 THR CA C 54 62.088 62.088 62.481 -0.393 19147 749 1 3 . 1 1 54 54 THR CB C 54 68.634 68.634 70.364 -1.730 19147 750 1 3 . 1 1 54 54 THR H H 54 7.632 7.632 7.959 -0.327 19147 751 1 3 . 1 1 55 55 THR N N 55 113.157 113.157 115.975 -2.818 19147 752 1 3 . 1 1 55 55 THR HA H 55 4.656 4.656 4.166 0.490 19147 753 1 3 . 1 1 55 55 THR C C 55 175.209 175.209 175.799 -0.590 19147 754 1 3 . 1 1 55 55 THR CA C 55 60.909 60.909 64.674 -3.765 19147 755 1 3 . 1 1 55 55 THR CB C 55 68.720 68.720 68.988 -0.268 19147 756 1 3 . 1 1 55 55 THR H H 55 7.746 7.746 8.597 -0.851 19147 757 1 3 . 1 1 56 56 LYS N N 56 122.548 122.548 118.586 3.962 19147 758 1 3 . 1 1 56 56 LYS HA H 56 4.247 4.247 4.529 -0.282 19147 759 1 3 . 1 1 56 56 LYS C C 56 176.726 176.726 175.743 0.983 19147 760 1 3 . 1 1 56 56 LYS CA C 56 56.714 56.714 56.368 0.346 19147 761 1 3 . 1 1 56 56 LYS CB C 56 32.279 32.279 34.292 -2.013 19147 762 1 3 . 1 1 56 56 LYS H H 56 8.344 8.344 8.334 0.010 19147 763 1 3 . 1 1 57 57 ASP N N 57 119.260 119.260 117.597 1.663 19147 764 1 3 . 1 1 57 57 ASP HA H 57 4.684 4.684 5.027 -0.343 19147 765 1 3 . 1 1 57 57 ASP C C 57 176.323 176.323 176.596 -0.273 19147 766 1 3 . 1 1 57 57 ASP CA C 57 53.331 53.331 53.214 0.117 19147 767 1 3 . 1 1 57 57 ASP CB C 57 41.168 41.168 42.722 -1.554 19147 768 1 3 . 1 1 57 57 ASP H H 57 8.201 8.201 8.334 -0.133 19147 769 1 4 . 1 1 14 14 LEU N N 14 123.914 123.914 123.043 0.871 19147 770 1 4 . 1 1 14 14 LEU HA H 14 4.914 4.914 4.508 0.406 19147 771 1 4 . 1 1 14 14 LEU C C 14 176.963 176.963 176.953 0.010 19147 772 1 4 . 1 1 14 14 LEU CA C 14 54.055 54.055 55.027 -0.972 19147 773 1 4 . 1 1 14 14 LEU CB C 14 44.013 44.013 42.699 1.314 19147 774 1 4 . 1 1 14 14 LEU H H 14 8.089 8.089 7.790 0.299 19147 775 1 4 . 1 1 15 15 LYS N N 15 121.013 121.013 120.255 0.758 19147 776 1 4 . 1 1 15 15 LYS HA H 15 4.323 4.323 4.516 -0.193 19147 777 1 4 . 1 1 15 15 LYS C C 15 174.711 174.711 175.565 -0.854 19147 778 1 4 . 1 1 15 15 LYS CA C 15 53.956 53.956 54.485 -0.529 19147 779 1 4 . 1 1 15 15 LYS CB C 15 35.171 35.171 34.689 0.482 19147 780 1 4 . 1 1 15 15 LYS H H 15 8.548 8.548 8.650 -0.102 19147 781 1 4 . 1 1 16 16 ALA N N 16 124.835 124.835 124.427 0.408 19147 782 1 4 . 1 1 16 16 ALA HA H 16 4.424 4.424 4.834 -0.410 19147 783 1 4 . 1 1 16 16 ALA C C 16 176.513 176.513 177.140 -0.627 19147 784 1 4 . 1 1 16 16 ALA CA C 16 50.701 50.701 50.447 0.254 19147 785 1 4 . 1 1 16 16 ALA CB C 16 19.404 19.404 19.020 0.384 19147 786 1 4 . 1 1 16 16 ALA H H 16 8.119 8.119 8.382 -0.263 19147 787 1 4 . 1 1 17 17 CYS N N 17 125.963 125.963 122.859 3.104 19147 788 1 4 . 1 1 17 17 CYS HA H 17 4.530 4.530 4.221 0.309 19147 789 1 4 . 1 1 17 17 CYS C C 17 179.428 179.428 177.054 2.374 19147 790 1 4 . 1 1 17 17 CYS CA C 17 59.687 59.687 60.301 -0.614 19147 791 1 4 . 1 1 17 17 CYS CB C 17 31.087 31.087 29.670 1.417 19147 792 1 4 . 1 1 17 17 CYS H H 17 9.517 9.517 8.151 1.366 19147 793 1 4 . 1 1 18 18 ILE N N 18 124.917 124.917 122.713 2.204 19147 794 1 4 . 1 1 18 18 ILE HA H 18 4.039 4.039 4.178 -0.139 19147 795 1 4 . 1 1 18 18 ILE C C 18 175.825 175.825 175.926 -0.101 19147 796 1 4 . 1 1 18 18 ILE CA C 18 62.353 62.353 62.800 -0.447 19147 797 1 4 . 1 1 18 18 ILE CB C 18 37.671 37.671 37.298 0.373 19147 798 1 4 . 1 1 18 18 ILE H H 18 7.244 7.244 8.515 -1.271 19147 799 1 4 . 1 1 19 19 ARG N N 19 124.247 124.247 123.223 1.024 19147 800 1 4 . 1 1 19 19 ARG HA H 19 4.235 4.235 4.217 0.018 19147 801 1 4 . 1 1 19 19 ARG C C 19 177.413 177.413 176.645 0.768 19147 802 1 4 . 1 1 19 19 ARG CA C 19 57.820 57.820 58.438 -0.618 19147 803 1 4 . 1 1 19 19 ARG CB C 19 31.496 31.496 30.705 0.791 19147 804 1 4 . 1 1 19 19 ARG H H 19 9.392 9.392 8.215 1.177 19147 805 1 4 . 1 1 20 20 CYS N N 20 118.959 118.959 114.333 4.626 19147 806 1 4 . 1 1 20 20 CYS HA H 20 4.933 4.933 4.766 0.167 19147 807 1 4 . 1 1 20 20 CYS C C 20 178.409 178.409 173.415 4.994 19147 808 1 4 . 1 1 20 20 CYS CA C 20 58.663 58.663 56.785 1.878 19147 809 1 4 . 1 1 20 20 CYS CB C 20 32.067 32.067 28.703 3.364 19147 810 1 4 . 1 1 20 20 CYS H H 20 8.541 8.541 7.910 0.631 19147 811 1 4 . 1 1 21 21 ASN N N 21 120.450 120.450 118.862 1.588 19147 812 1 4 . 1 1 21 21 ASN HA H 21 4.422 4.422 4.606 -0.184 19147 813 1 4 . 1 1 21 21 ASN C C 21 174.237 174.237 173.862 0.375 19147 814 1 4 . 1 1 21 21 ASN CA C 21 55.172 55.172 54.148 1.024 19147 815 1 4 . 1 1 21 21 ASN CB C 21 38.545 38.545 37.236 1.309 19147 816 1 4 . 1 1 21 21 ASN H H 21 8.533 8.533 8.070 0.463 19147 817 1 4 . 1 1 22 22 SER N N 22 119.717 119.717 115.960 3.757 19147 818 1 4 . 1 1 22 22 SER HA H 22 4.643 4.643 4.866 -0.223 19147 819 1 4 . 1 1 22 22 SER CA C 22 58.269 58.269 55.538 2.731 19147 820 1 4 . 1 1 22 22 SER CB C 22 61.998 61.998 65.717 -3.719 19147 821 1 4 . 1 1 22 22 SER H H 22 8.742 8.742 8.072 0.670 19147 822 1 4 . 1 1 23 23 PRO HA H 23 4.375 4.375 4.660 -0.285 19147 823 1 4 . 1 1 23 23 PRO CA C 23 64.211 64.211 62.983 1.228 19147 824 1 4 . 1 1 23 23 PRO CB C 23 31.883 31.883 30.599 1.284 19147 825 1 4 . 1 1 24 24 ALA N N 24 126.670 126.670 128.615 -1.945 19147 826 1 4 . 1 1 24 24 ALA HA H 24 4.756 4.756 4.853 -0.097 19147 827 1 4 . 1 1 24 24 ALA C C 24 176.157 176.157 176.362 -0.205 19147 828 1 4 . 1 1 24 24 ALA CA C 24 49.817 49.817 50.053 -0.236 19147 829 1 4 . 1 1 24 24 ALA CB C 24 19.920 19.920 21.757 -1.837 19147 830 1 4 . 1 1 24 24 ALA H H 24 8.732 8.732 8.922 -0.190 19147 831 1 4 . 1 1 25 25 LYS N N 25 122.456 122.456 127.210 -4.754 19147 832 1 4 . 1 1 25 25 LYS HA H 25 4.260 4.260 4.087 0.173 19147 833 1 4 . 1 1 25 25 LYS C C 25 175.612 175.612 175.301 0.311 19147 834 1 4 . 1 1 25 25 LYS CA C 25 56.269 56.269 55.351 0.918 19147 835 1 4 . 1 1 25 25 LYS CB C 25 32.912 32.912 31.762 1.150 19147 836 1 4 . 1 1 25 25 LYS H H 25 8.045 8.045 8.318 -0.273 19147 837 1 4 . 1 1 26 26 TYR N N 26 128.452 128.452 130.010 -1.558 19147 838 1 4 . 1 1 26 26 TYR HA H 26 5.275 5.275 4.688 0.587 19147 839 1 4 . 1 1 26 26 TYR C C 26 173.550 173.550 175.335 -1.785 19147 840 1 4 . 1 1 26 26 TYR CA C 26 54.572 54.572 57.434 -2.862 19147 841 1 4 . 1 1 26 26 TYR CB C 26 40.463 40.463 39.343 1.120 19147 842 1 4 . 1 1 26 26 TYR H H 26 8.734 8.734 8.100 0.634 19147 843 1 4 . 1 1 27 27 ASP N N 27 129.563 129.563 129.671 -0.108 19147 844 1 4 . 1 1 27 27 ASP HA H 27 4.525 4.525 4.587 -0.062 19147 845 1 4 . 1 1 27 27 ASP C C 27 175.920 175.920 175.544 0.376 19147 846 1 4 . 1 1 27 27 ASP CA C 27 51.470 51.470 52.631 -1.161 19147 847 1 4 . 1 1 27 27 ASP CB C 27 42.426 42.426 41.235 1.191 19147 848 1 4 . 1 1 27 27 ASP H H 27 8.714 8.714 8.983 -0.269 19147 849 1 4 . 1 1 28 28 CYS N N 28 122.534 122.534 124.087 -1.553 19147 850 1 4 . 1 1 28 28 CYS HA H 28 3.753 3.753 3.995 -0.242 19147 851 1 4 . 1 1 28 28 CYS C C 28 175.043 175.043 175.226 -0.183 19147 852 1 4 . 1 1 28 28 CYS CA C 28 58.504 58.504 59.888 -1.384 19147 853 1 4 . 1 1 28 28 CYS CB C 28 26.501 26.501 27.011 -0.510 19147 854 1 4 . 1 1 28 28 CYS H H 28 8.226 8.226 8.343 -0.117 19147 855 1 4 . 1 1 29 29 TYR N N 29 123.853 123.853 118.469 5.384 19147 856 1 4 . 1 1 29 29 TYR HA H 29 4.319 4.319 4.174 0.145 19147 857 1 4 . 1 1 29 29 TYR C C 29 177.722 177.722 176.427 1.295 19147 858 1 4 . 1 1 29 29 TYR CA C 29 59.695 59.695 60.908 -1.213 19147 859 1 4 . 1 1 29 29 TYR CB C 29 37.305 37.305 38.682 -1.377 19147 860 1 4 . 1 1 29 29 TYR H H 29 8.206 8.206 7.997 0.209 19147 861 1 4 . 1 1 30 30 LEU N N 30 117.184 117.184 114.625 2.559 19147 862 1 4 . 1 1 30 30 LEU HA H 30 4.068 4.068 4.666 -0.598 19147 863 1 4 . 1 1 30 30 LEU C C 30 177.058 177.058 175.667 1.391 19147 864 1 4 . 1 1 30 30 LEU CA C 30 53.970 53.970 53.976 -0.006 19147 865 1 4 . 1 1 30 30 LEU CB C 30 42.216 42.216 42.483 -0.267 19147 866 1 4 . 1 1 30 30 LEU H H 30 7.681 7.681 7.597 0.084 19147 867 1 4 . 1 1 31 31 GLN N N 31 115.267 115.267 115.676 -0.409 19147 868 1 4 . 1 1 31 31 GLN HA H 31 3.551 3.551 4.066 -0.515 19147 869 1 4 . 1 1 31 31 GLN C C 31 173.739 173.739 174.686 -0.947 19147 870 1 4 . 1 1 31 31 GLN CA C 31 57.133 57.133 57.280 -0.147 19147 871 1 4 . 1 1 31 31 GLN CB C 31 25.119 25.119 26.251 -1.132 19147 872 1 4 . 1 1 31 31 GLN H H 31 7.740 7.740 8.072 -0.332 19147 873 1 4 . 1 1 32 32 ARG N N 32 120.485 120.485 114.838 5.647 19147 874 1 4 . 1 1 32 32 ARG HA H 32 5.053 5.053 5.202 -0.149 19147 875 1 4 . 1 1 32 32 ARG C C 32 173.384 173.384 174.005 -0.621 19147 876 1 4 . 1 1 32 32 ARG CA C 32 52.928 52.928 53.421 -0.493 19147 877 1 4 . 1 1 32 32 ARG CB C 32 36.499 36.499 33.852 2.647 19147 878 1 4 . 1 1 32 32 ARG H H 32 7.213 7.213 7.734 -0.521 19147 879 1 4 . 1 1 33 33 ALA N N 33 130.237 130.237 122.332 7.905 19147 880 1 4 . 1 1 33 33 ALA HA H 33 5.295 5.295 5.114 0.181 19147 881 1 4 . 1 1 33 33 ALA C C 33 174.522 174.522 175.086 -0.564 19147 882 1 4 . 1 1 33 33 ALA CA C 33 49.099 49.099 50.327 -1.228 19147 883 1 4 . 1 1 33 33 ALA CB C 33 20.309 20.309 22.242 -1.933 19147 884 1 4 . 1 1 33 33 ALA H H 33 8.763 8.763 8.674 0.089 19147 885 1 4 . 1 1 34 34 THR N N 34 114.351 114.351 116.625 -2.274 19147 886 1 4 . 1 1 34 34 THR HA H 34 4.904 4.904 4.831 0.073 19147 887 1 4 . 1 1 34 34 THR C C 34 173.597 173.597 174.464 -0.867 19147 888 1 4 . 1 1 34 34 THR CA C 34 60.450 60.450 60.410 0.040 19147 889 1 4 . 1 1 34 34 THR CB C 34 70.553 70.553 69.535 1.018 19147 890 1 4 . 1 1 34 34 THR H H 34 8.269 8.269 8.005 0.264 19147 891 1 4 . 1 1 35 35 CYS N N 35 133.180 133.180 127.189 5.991 19147 892 1 4 . 1 1 35 35 CYS HA H 35 3.909 3.909 4.181 -0.272 19147 893 1 4 . 1 1 35 35 CYS C C 35 175.825 175.825 175.527 0.298 19147 894 1 4 . 1 1 35 35 CYS CA C 35 61.216 61.216 60.212 1.004 19147 895 1 4 . 1 1 35 35 CYS CB C 35 31.563 31.563 28.264 3.299 19147 896 1 4 . 1 1 35 35 CYS H H 35 9.133 9.133 8.411 0.722 19147 897 1 4 . 1 1 36 36 LYS N N 36 125.753 125.753 128.415 -2.662 19147 898 1 4 . 1 1 36 36 LYS HA H 36 4.324 4.324 4.056 0.268 19147 899 1 4 . 1 1 36 36 LYS C C 36 176.323 176.323 177.120 -0.797 19147 900 1 4 . 1 1 36 36 LYS CA C 36 55.921 55.921 57.530 -1.609 19147 901 1 4 . 1 1 36 36 LYS CB C 36 32.422 32.422 32.303 0.119 19147 902 1 4 . 1 1 36 36 LYS H H 36 8.343 8.343 7.975 0.368 19147 903 1 4 . 1 1 37 37 ARG N N 37 127.726 127.726 121.661 6.065 19147 904 1 4 . 1 1 37 37 ARG HA H 37 4.133 4.133 4.203 -0.070 19147 905 1 4 . 1 1 37 37 ARG C C 37 177.650 177.650 178.307 -0.657 19147 906 1 4 . 1 1 37 37 ARG CA C 37 56.595 56.595 56.623 -0.028 19147 907 1 4 . 1 1 37 37 ARG CB C 37 30.759 30.759 30.337 0.422 19147 908 1 4 . 1 1 37 37 ARG H H 37 9.381 9.381 7.685 1.696 19147 909 1 4 . 1 1 38 38 GLU N N 38 131.710 131.710 125.254 6.456 19147 910 1 4 . 1 1 38 38 GLU HA H 38 3.933 3.933 4.061 -0.128 19147 911 1 4 . 1 1 38 38 GLU C C 38 177.342 177.342 178.082 -0.740 19147 912 1 4 . 1 1 38 38 GLU CA C 38 58.288 58.288 59.301 -1.013 19147 913 1 4 . 1 1 38 38 GLU CB C 38 28.628 28.628 29.159 -0.531 19147 914 1 4 . 1 1 38 38 GLU H H 38 9.079 9.079 8.672 0.407 19147 915 1 4 . 1 1 39 39 GLY N N 39 112.546 112.546 106.795 5.751 19147 916 1 4 . 1 1 39 39 GLY C C 39 173.431 173.431 174.642 -1.211 19147 917 1 4 . 1 1 39 39 GLY CA C 39 44.725 44.725 46.236 -1.511 19147 918 1 4 . 1 1 39 39 GLY H H 39 8.693 8.693 8.413 0.280 19147 919 1 4 . 1 1 40 40 CYS N N 40 123.383 123.383 118.769 4.614 19147 920 1 4 . 1 1 40 40 CYS HA H 40 4.492 4.492 4.665 -0.173 19147 921 1 4 . 1 1 40 40 CYS C C 40 175.659 175.659 175.300 0.359 19147 922 1 4 . 1 1 40 40 CYS CA C 40 59.558 59.558 59.936 -0.378 19147 923 1 4 . 1 1 40 40 CYS CB C 40 30.181 30.181 30.422 -0.241 19147 924 1 4 . 1 1 40 40 CYS H H 40 7.838 7.838 7.671 0.167 19147 925 1 4 . 1 1 41 41 GLY N N 41 108.697 108.697 109.732 -1.035 19147 926 1 4 . 1 1 41 41 GLY C C 41 174.261 174.261 173.363 0.898 19147 927 1 4 . 1 1 41 41 GLY CA C 41 46.283 46.283 46.243 0.040 19147 928 1 4 . 1 1 41 41 GLY H H 41 8.109 8.109 8.220 -0.111 19147 929 1 4 . 1 1 42 42 PHE N N 42 124.198 124.198 117.506 6.692 19147 930 1 4 . 1 1 42 42 PHE HA H 42 4.579 4.579 4.897 -0.318 19147 931 1 4 . 1 1 42 42 PHE C C 42 172.886 172.886 173.853 -0.967 19147 932 1 4 . 1 1 42 42 PHE CA C 42 58.164 58.164 54.019 4.145 19147 933 1 4 . 1 1 42 42 PHE CB C 42 38.872 38.872 41.064 -2.192 19147 934 1 4 . 1 1 42 42 PHE H H 42 8.140 8.140 7.725 0.415 19147 935 1 4 . 1 1 43 43 ASP N N 43 129.158 129.158 121.315 7.843 19147 936 1 4 . 1 1 43 43 ASP HA H 43 5.377 5.377 4.833 0.544 19147 937 1 4 . 1 1 43 43 ASP C C 43 175.493 175.493 175.192 0.301 19147 938 1 4 . 1 1 43 43 ASP CA C 43 51.991 51.991 53.405 -1.414 19147 939 1 4 . 1 1 43 43 ASP CB C 43 42.089 42.089 42.428 -0.339 19147 940 1 4 . 1 1 43 43 ASP H H 43 7.830 7.830 8.545 -0.715 19147 941 1 4 . 1 1 44 44 TYR N N 44 121.015 121.015 116.569 4.446 19147 942 1 4 . 1 1 44 44 TYR HA H 44 5.072 5.072 5.057 0.015 19147 943 1 4 . 1 1 44 44 TYR C C 44 173.882 173.882 173.685 0.197 19147 944 1 4 . 1 1 44 44 TYR CA C 44 54.551 54.551 56.519 -1.968 19147 945 1 4 . 1 1 44 44 TYR CB C 44 41.061 41.061 39.866 1.195 19147 946 1 4 . 1 1 44 44 TYR H H 44 9.264 9.264 7.717 1.547 19147 947 1 4 . 1 1 45 45 CYS N N 45 121.008 121.008 122.201 -1.193 19147 948 1 4 . 1 1 45 45 CYS HA H 45 5.157 5.157 5.030 0.127 19147 949 1 4 . 1 1 45 45 CYS C C 45 178.385 178.385 176.026 2.359 19147 950 1 4 . 1 1 45 45 CYS CA C 45 56.934 56.934 59.409 -2.475 19147 951 1 4 . 1 1 45 45 CYS CB C 45 31.953 31.953 29.105 2.848 19147 952 1 4 . 1 1 45 45 CYS H H 45 8.420 8.420 8.894 -0.474 19147 953 1 4 . 1 1 46 46 THR N N 46 120.657 120.657 120.404 0.253 19147 954 1 4 . 1 1 46 46 THR HA H 46 4.090 4.090 4.207 -0.117 19147 955 1 4 . 1 1 46 46 THR C C 46 174.593 174.593 174.605 -0.012 19147 956 1 4 . 1 1 46 46 THR CA C 46 64.084 64.084 63.430 0.654 19147 957 1 4 . 1 1 46 46 THR CB C 46 66.577 66.577 68.833 -2.256 19147 958 1 4 . 1 1 46 46 THR H H 46 8.518 8.518 8.769 -0.251 19147 959 1 4 . 1 1 47 47 LYS N N 47 124.516 124.516 120.454 4.062 19147 960 1 4 . 1 1 47 47 LYS HA H 47 4.377 4.377 4.272 0.105 19147 961 1 4 . 1 1 47 47 LYS C C 47 177.319 177.319 176.944 0.375 19147 962 1 4 . 1 1 47 47 LYS CA C 47 58.163 58.163 59.043 -0.880 19147 963 1 4 . 1 1 47 47 LYS CB C 47 32.753 32.753 32.078 0.675 19147 964 1 4 . 1 1 47 47 LYS H H 47 9.452 9.452 8.334 1.118 19147 965 1 4 . 1 1 48 48 CYS N N 48 116.543 116.543 116.341 0.202 19147 966 1 4 . 1 1 48 48 CYS HA H 48 4.817 4.817 4.648 0.169 19147 967 1 4 . 1 1 48 48 CYS C C 48 175.920 175.920 175.271 0.649 19147 968 1 4 . 1 1 48 48 CYS CA C 48 57.997 57.997 57.870 0.127 19147 969 1 4 . 1 1 48 48 CYS CB C 48 32.109 32.109 27.982 4.127 19147 970 1 4 . 1 1 48 48 CYS H H 48 8.244 8.244 8.265 -0.021 19147 971 1 4 . 1 1 49 49 LEU N N 49 118.590 118.590 120.145 -1.555 19147 972 1 4 . 1 1 49 49 LEU HA H 49 4.247 4.247 4.291 -0.044 19147 973 1 4 . 1 1 49 49 LEU C C 49 176.916 176.916 176.295 0.621 19147 974 1 4 . 1 1 49 49 LEU CA C 49 56.333 56.333 56.094 0.239 19147 975 1 4 . 1 1 49 49 LEU CB C 49 36.861 36.861 39.077 -2.216 19147 976 1 4 . 1 1 49 49 LEU H H 49 8.181 8.181 8.134 0.047 19147 977 1 4 . 1 1 50 50 CYS N N 50 115.484 115.484 116.578 -1.094 19147 978 1 4 . 1 1 50 50 CYS HA H 50 4.938 4.938 4.683 0.255 19147 979 1 4 . 1 1 50 50 CYS C C 50 173.194 173.194 174.011 -0.817 19147 980 1 4 . 1 1 50 50 CYS CA C 50 57.589 57.589 55.916 1.673 19147 981 1 4 . 1 1 50 50 CYS CB C 50 30.662 30.662 31.128 -0.466 19147 982 1 4 . 1 1 50 50 CYS H H 50 8.001 8.001 7.711 0.290 19147 983 1 4 . 1 1 51 51 ASN N N 51 116.975 116.975 120.360 -3.385 19147 984 1 4 . 1 1 51 51 ASN HA H 51 4.427 4.427 4.603 -0.176 19147 985 1 4 . 1 1 51 51 ASN C C 51 174.640 174.640 175.249 -0.609 19147 986 1 4 . 1 1 51 51 ASN CA C 51 54.190 54.190 54.511 -0.321 19147 987 1 4 . 1 1 51 51 ASN CB C 51 38.421 38.421 38.941 -0.520 19147 988 1 4 . 1 1 51 51 ASN H H 51 8.453 8.453 8.682 -0.229 19147 989 1 4 . 1 1 52 52 TYR N N 52 123.645 123.645 125.137 -1.492 19147 990 1 4 . 1 1 52 52 TYR HA H 52 3.628 3.628 4.258 -0.630 19147 991 1 4 . 1 1 52 52 TYR C C 52 173.953 173.953 175.016 -1.063 19147 992 1 4 . 1 1 52 52 TYR CA C 52 61.742 61.742 58.923 2.819 19147 993 1 4 . 1 1 52 52 TYR CB C 52 37.030 37.030 39.097 -2.067 19147 994 1 4 . 1 1 52 52 TYR H H 52 8.903 8.903 8.441 0.462 19147 995 1 4 . 1 1 53 53 HIS N N 53 123.135 123.135 123.596 -0.461 19147 996 1 4 . 1 1 53 53 HIS HA H 53 4.673 4.673 4.308 0.365 19147 997 1 4 . 1 1 53 53 HIS C C 53 173.360 173.360 175.569 -2.209 19147 998 1 4 . 1 1 53 53 HIS CA C 53 51.116 51.116 57.122 -6.006 19147 999 1 4 . 1 1 53 53 HIS CB C 53 29.297 29.297 28.720 0.577 19147 1000 1 4 . 1 1 53 53 HIS H H 53 5.918 5.918 7.916 -1.998 19147 1001 1 4 . 1 1 54 54 THR N N 54 110.786 110.786 118.121 -7.335 19147 1002 1 4 . 1 1 54 54 THR HA H 54 3.786 3.786 4.601 -0.815 19147 1003 1 4 . 1 1 54 54 THR C C 54 175.778 175.778 175.222 0.556 19147 1004 1 4 . 1 1 54 54 THR CA C 54 62.088 62.088 63.256 -1.168 19147 1005 1 4 . 1 1 54 54 THR CB C 54 68.634 68.634 69.720 -1.086 19147 1006 1 4 . 1 1 54 54 THR H H 54 7.632 7.632 8.283 -0.651 19147 1007 1 4 . 1 1 55 55 THR N N 55 113.157 113.157 114.296 -1.139 19147 1008 1 4 . 1 1 55 55 THR HA H 55 4.656 4.656 4.450 0.206 19147 1009 1 4 . 1 1 55 55 THR C C 55 175.209 175.209 174.472 0.737 19147 1010 1 4 . 1 1 55 55 THR CA C 55 60.909 60.909 62.965 -2.056 19147 1011 1 4 . 1 1 55 55 THR CB C 55 68.720 68.720 69.408 -0.688 19147 1012 1 4 . 1 1 55 55 THR H H 55 7.746 7.746 8.215 -0.469 19147 1013 1 4 . 1 1 56 56 LYS N N 56 122.548 122.548 120.933 1.615 19147 1014 1 4 . 1 1 56 56 LYS HA H 56 4.247 4.247 4.623 -0.376 19147 1015 1 4 . 1 1 56 56 LYS C C 56 176.726 176.726 174.563 2.163 19147 1016 1 4 . 1 1 56 56 LYS CA C 56 56.714 56.714 55.084 1.630 19147 1017 1 4 . 1 1 56 56 LYS CB C 56 32.279 32.279 35.140 -2.861 19147 1018 1 4 . 1 1 56 56 LYS H H 56 8.344 8.344 7.896 0.448 19147 1019 1 4 . 1 1 57 57 ASP N N 57 119.260 119.260 120.462 -1.202 19147 1020 1 4 . 1 1 57 57 ASP HA H 57 4.684 4.684 4.434 0.250 19147 1021 1 4 . 1 1 57 57 ASP C C 57 176.323 176.323 176.904 -0.581 19147 1022 1 4 . 1 1 57 57 ASP CA C 57 53.331 53.331 54.401 -1.071 19147 1023 1 4 . 1 1 57 57 ASP CB C 57 41.168 41.168 40.554 0.614 19147 1024 1 4 . 1 1 57 57 ASP H H 57 8.201 8.201 8.471 -0.270 19147 1025 1 5 . 1 1 14 14 LEU N N 14 123.914 123.914 123.651 0.263 19147 1026 1 5 . 1 1 14 14 LEU HA H 14 4.914 4.914 4.407 0.507 19147 1027 1 5 . 1 1 14 14 LEU C C 14 176.963 176.963 176.901 0.062 19147 1028 1 5 . 1 1 14 14 LEU CA C 14 54.055 54.055 55.853 -1.798 19147 1029 1 5 . 1 1 14 14 LEU CB C 14 44.013 44.013 42.605 1.408 19147 1030 1 5 . 1 1 14 14 LEU H H 14 8.089 8.089 7.860 0.229 19147 1031 1 5 . 1 1 15 15 LYS N N 15 121.013 121.013 121.748 -0.735 19147 1032 1 5 . 1 1 15 15 LYS HA H 15 4.323 4.323 4.549 -0.226 19147 1033 1 5 . 1 1 15 15 LYS C C 15 174.711 174.711 175.212 -0.501 19147 1034 1 5 . 1 1 15 15 LYS CA C 15 53.956 53.956 53.873 0.083 19147 1035 1 5 . 1 1 15 15 LYS CB C 15 35.171 35.171 35.036 0.135 19147 1036 1 5 . 1 1 15 15 LYS H H 15 8.548 8.548 8.405 0.143 19147 1037 1 5 . 1 1 16 16 ALA N N 16 124.835 124.835 123.381 1.454 19147 1038 1 5 . 1 1 16 16 ALA HA H 16 4.424 4.424 4.889 -0.465 19147 1039 1 5 . 1 1 16 16 ALA C C 16 176.513 176.513 177.308 -0.795 19147 1040 1 5 . 1 1 16 16 ALA CA C 16 50.701 50.701 50.559 0.142 19147 1041 1 5 . 1 1 16 16 ALA CB C 16 19.404 19.404 19.286 0.118 19147 1042 1 5 . 1 1 16 16 ALA H H 16 8.119 8.119 8.357 -0.238 19147 1043 1 5 . 1 1 17 17 CYS N N 17 125.963 125.963 122.647 3.316 19147 1044 1 5 . 1 1 17 17 CYS HA H 17 4.530 4.530 4.308 0.222 19147 1045 1 5 . 1 1 17 17 CYS C C 17 179.428 179.428 177.134 2.294 19147 1046 1 5 . 1 1 17 17 CYS CA C 17 59.687 59.687 58.925 0.762 19147 1047 1 5 . 1 1 17 17 CYS CB C 17 31.087 31.087 29.565 1.522 19147 1048 1 5 . 1 1 17 17 CYS H H 17 9.517 9.517 8.266 1.251 19147 1049 1 5 . 1 1 18 18 ILE N N 18 124.917 124.917 121.652 3.265 19147 1050 1 5 . 1 1 18 18 ILE HA H 18 4.039 4.039 4.163 -0.124 19147 1051 1 5 . 1 1 18 18 ILE C C 18 175.825 175.825 175.885 -0.060 19147 1052 1 5 . 1 1 18 18 ILE CA C 18 62.353 62.353 62.740 -0.387 19147 1053 1 5 . 1 1 18 18 ILE CB C 18 37.671 37.671 37.710 -0.039 19147 1054 1 5 . 1 1 18 18 ILE H H 18 7.244 7.244 8.506 -1.262 19147 1055 1 5 . 1 1 19 19 ARG N N 19 124.247 124.247 120.893 3.354 19147 1056 1 5 . 1 1 19 19 ARG HA H 19 4.235 4.235 4.347 -0.112 19147 1057 1 5 . 1 1 19 19 ARG C C 19 177.413 177.413 176.682 0.731 19147 1058 1 5 . 1 1 19 19 ARG CA C 19 57.820 57.820 58.166 -0.346 19147 1059 1 5 . 1 1 19 19 ARG CB C 19 31.496 31.496 31.169 0.327 19147 1060 1 5 . 1 1 19 19 ARG H H 19 9.392 9.392 8.399 0.993 19147 1061 1 5 . 1 1 20 20 CYS N N 20 118.959 118.959 114.950 4.009 19147 1062 1 5 . 1 1 20 20 CYS HA H 20 4.933 4.933 4.795 0.138 19147 1063 1 5 . 1 1 20 20 CYS C C 20 178.409 178.409 173.640 4.769 19147 1064 1 5 . 1 1 20 20 CYS CA C 20 58.663 58.663 57.587 1.076 19147 1065 1 5 . 1 1 20 20 CYS CB C 20 32.067 32.067 29.717 2.350 19147 1066 1 5 . 1 1 20 20 CYS H H 20 8.541 8.541 8.092 0.449 19147 1067 1 5 . 1 1 21 21 ASN N N 21 120.450 120.450 119.376 1.074 19147 1068 1 5 . 1 1 21 21 ASN HA H 21 4.422 4.422 4.492 -0.070 19147 1069 1 5 . 1 1 21 21 ASN C C 21 174.237 174.237 174.145 0.092 19147 1070 1 5 . 1 1 21 21 ASN CA C 21 55.172 55.172 54.299 0.873 19147 1071 1 5 . 1 1 21 21 ASN CB C 21 38.545 38.545 37.349 1.196 19147 1072 1 5 . 1 1 21 21 ASN H H 21 8.533 8.533 8.065 0.468 19147 1073 1 5 . 1 1 22 22 SER N N 22 119.717 119.717 111.858 7.859 19147 1074 1 5 . 1 1 22 22 SER HA H 22 4.643 4.643 4.668 -0.025 19147 1075 1 5 . 1 1 22 22 SER CA C 22 58.269 58.269 56.595 1.674 19147 1076 1 5 . 1 1 22 22 SER CB C 22 61.998 61.998 63.672 -1.674 19147 1077 1 5 . 1 1 22 22 SER H H 22 8.742 8.742 8.142 0.600 19147 1078 1 5 . 1 1 23 23 PRO HA H 23 4.375 4.375 4.713 -0.338 19147 1079 1 5 . 1 1 23 23 PRO CA C 23 64.211 64.211 62.949 1.262 19147 1080 1 5 . 1 1 23 23 PRO CB C 23 31.883 31.883 30.716 1.167 19147 1081 1 5 . 1 1 24 24 ALA N N 24 126.670 126.670 128.822 -2.152 19147 1082 1 5 . 1 1 24 24 ALA HA H 24 4.756 4.756 4.799 -0.043 19147 1083 1 5 . 1 1 24 24 ALA C C 24 176.157 176.157 176.531 -0.374 19147 1084 1 5 . 1 1 24 24 ALA CA C 24 49.817 49.817 49.836 -0.019 19147 1085 1 5 . 1 1 24 24 ALA CB C 24 19.920 19.920 22.114 -2.194 19147 1086 1 5 . 1 1 24 24 ALA H H 24 8.732 8.732 9.078 -0.346 19147 1087 1 5 . 1 1 25 25 LYS N N 25 122.456 122.456 125.946 -3.490 19147 1088 1 5 . 1 1 25 25 LYS HA H 25 4.260 4.260 4.166 0.094 19147 1089 1 5 . 1 1 25 25 LYS C C 25 175.612 175.612 175.711 -0.099 19147 1090 1 5 . 1 1 25 25 LYS CA C 25 56.269 56.269 56.278 -0.009 19147 1091 1 5 . 1 1 25 25 LYS CB C 25 32.912 32.912 31.858 1.054 19147 1092 1 5 . 1 1 25 25 LYS H H 25 8.045 8.045 8.293 -0.248 19147 1093 1 5 . 1 1 26 26 TYR N N 26 128.452 128.452 128.318 0.134 19147 1094 1 5 . 1 1 26 26 TYR HA H 26 5.275 5.275 4.704 0.571 19147 1095 1 5 . 1 1 26 26 TYR C C 26 173.550 173.550 175.451 -1.901 19147 1096 1 5 . 1 1 26 26 TYR CA C 26 54.572 54.572 57.410 -2.838 19147 1097 1 5 . 1 1 26 26 TYR CB C 26 40.463 40.463 39.308 1.155 19147 1098 1 5 . 1 1 26 26 TYR H H 26 8.734 8.734 8.124 0.610 19147 1099 1 5 . 1 1 27 27 ASP N N 27 129.563 129.563 128.061 1.502 19147 1100 1 5 . 1 1 27 27 ASP HA H 27 4.525 4.525 4.755 -0.230 19147 1101 1 5 . 1 1 27 27 ASP C C 27 175.920 175.920 176.216 -0.296 19147 1102 1 5 . 1 1 27 27 ASP CA C 27 51.470 51.470 52.458 -0.988 19147 1103 1 5 . 1 1 27 27 ASP CB C 27 42.426 42.426 41.657 0.768 19147 1104 1 5 . 1 1 27 27 ASP H H 27 8.714 8.714 8.756 -0.042 19147 1105 1 5 . 1 1 28 28 CYS N N 28 122.534 122.534 121.779 0.755 19147 1106 1 5 . 1 1 28 28 CYS HA H 28 3.753 3.753 4.008 -0.255 19147 1107 1 5 . 1 1 28 28 CYS C C 28 175.043 175.043 174.961 0.082 19147 1108 1 5 . 1 1 28 28 CYS CA C 28 58.504 58.504 59.960 -1.456 19147 1109 1 5 . 1 1 28 28 CYS CB C 28 26.501 26.501 27.496 -0.995 19147 1110 1 5 . 1 1 28 28 CYS H H 28 8.226 8.226 8.113 0.113 19147 1111 1 5 . 1 1 29 29 TYR N N 29 123.853 123.853 119.835 4.018 19147 1112 1 5 . 1 1 29 29 TYR HA H 29 4.319 4.319 4.210 0.109 19147 1113 1 5 . 1 1 29 29 TYR C C 29 177.722 177.722 176.130 1.592 19147 1114 1 5 . 1 1 29 29 TYR CA C 29 59.695 59.695 60.373 -0.679 19147 1115 1 5 . 1 1 29 29 TYR CB C 29 37.305 37.305 38.682 -1.377 19147 1116 1 5 . 1 1 29 29 TYR H H 29 8.206 8.206 7.638 0.568 19147 1117 1 5 . 1 1 30 30 LEU N N 30 117.184 117.184 114.582 2.602 19147 1118 1 5 . 1 1 30 30 LEU HA H 30 4.068 4.068 4.631 -0.563 19147 1119 1 5 . 1 1 30 30 LEU C C 30 177.058 177.058 176.008 1.050 19147 1120 1 5 . 1 1 30 30 LEU CA C 30 53.970 53.970 53.985 -0.015 19147 1121 1 5 . 1 1 30 30 LEU CB C 30 42.216 42.216 42.923 -0.707 19147 1122 1 5 . 1 1 30 30 LEU H H 30 7.681 7.681 7.475 0.206 19147 1123 1 5 . 1 1 31 31 GLN N N 31 115.267 115.267 115.888 -0.621 19147 1124 1 5 . 1 1 31 31 GLN HA H 31 3.551 3.551 4.122 -0.571 19147 1125 1 5 . 1 1 31 31 GLN C C 31 173.739 173.739 174.597 -0.858 19147 1126 1 5 . 1 1 31 31 GLN CA C 31 57.133 57.133 57.343 -0.210 19147 1127 1 5 . 1 1 31 31 GLN CB C 31 25.119 25.119 26.287 -1.168 19147 1128 1 5 . 1 1 31 31 GLN H H 31 7.740 7.740 7.995 -0.255 19147 1129 1 5 . 1 1 32 32 ARG N N 32 120.485 120.485 115.155 5.330 19147 1130 1 5 . 1 1 32 32 ARG HA H 32 5.053 5.053 5.274 -0.221 19147 1131 1 5 . 1 1 32 32 ARG C C 32 173.384 173.384 173.602 -0.218 19147 1132 1 5 . 1 1 32 32 ARG CA C 32 52.928 52.928 53.604 -0.676 19147 1133 1 5 . 1 1 32 32 ARG CB C 32 36.499 36.499 34.883 1.616 19147 1134 1 5 . 1 1 32 32 ARG H H 32 7.213 7.213 7.806 -0.593 19147 1135 1 5 . 1 1 33 33 ALA N N 33 130.237 130.237 122.234 8.003 19147 1136 1 5 . 1 1 33 33 ALA HA H 33 5.295 5.295 5.327 -0.032 19147 1137 1 5 . 1 1 33 33 ALA C C 33 174.522 174.522 175.129 -0.607 19147 1138 1 5 . 1 1 33 33 ALA CA C 33 49.099 49.099 50.170 -1.071 19147 1139 1 5 . 1 1 33 33 ALA CB C 33 20.309 20.309 22.433 -2.124 19147 1140 1 5 . 1 1 33 33 ALA H H 33 8.763 8.763 8.545 0.218 19147 1141 1 5 . 1 1 34 34 THR N N 34 114.351 114.351 117.423 -3.072 19147 1142 1 5 . 1 1 34 34 THR HA H 34 4.904 4.904 4.871 0.033 19147 1143 1 5 . 1 1 34 34 THR C C 34 173.597 173.597 174.545 -0.948 19147 1144 1 5 . 1 1 34 34 THR CA C 34 60.450 60.450 60.375 0.075 19147 1145 1 5 . 1 1 34 34 THR CB C 34 70.553 70.553 70.137 0.416 19147 1146 1 5 . 1 1 34 34 THR H H 34 8.269 8.269 7.913 0.356 19147 1147 1 5 . 1 1 35 35 CYS N N 35 133.180 133.180 127.770 5.410 19147 1148 1 5 . 1 1 35 35 CYS HA H 35 3.909 3.909 4.147 -0.238 19147 1149 1 5 . 1 1 35 35 CYS C C 35 175.825 175.825 175.427 0.398 19147 1150 1 5 . 1 1 35 35 CYS CA C 35 61.216 61.216 60.702 0.514 19147 1151 1 5 . 1 1 35 35 CYS CB C 35 31.563 31.563 28.843 2.720 19147 1152 1 5 . 1 1 35 35 CYS H H 35 9.133 9.133 8.564 0.569 19147 1153 1 5 . 1 1 36 36 LYS N N 36 125.753 125.753 128.353 -2.600 19147 1154 1 5 . 1 1 36 36 LYS HA H 36 4.324 4.324 4.145 0.179 19147 1155 1 5 . 1 1 36 36 LYS C C 36 176.323 176.323 177.152 -0.829 19147 1156 1 5 . 1 1 36 36 LYS CA C 36 55.921 55.921 56.833 -0.912 19147 1157 1 5 . 1 1 36 36 LYS CB C 36 32.422 32.422 32.429 -0.007 19147 1158 1 5 . 1 1 36 36 LYS H H 36 8.343 8.343 8.096 0.247 19147 1159 1 5 . 1 1 37 37 ARG N N 37 127.726 127.726 122.319 5.407 19147 1160 1 5 . 1 1 37 37 ARG HA H 37 4.133 4.133 4.200 -0.067 19147 1161 1 5 . 1 1 37 37 ARG C C 37 177.650 177.650 177.968 -0.318 19147 1162 1 5 . 1 1 37 37 ARG CA C 37 56.595 56.595 56.508 0.087 19147 1163 1 5 . 1 1 37 37 ARG CB C 37 30.759 30.759 30.679 0.080 19147 1164 1 5 . 1 1 37 37 ARG H H 37 9.381 9.381 7.563 1.818 19147 1165 1 5 . 1 1 38 38 GLU N N 38 131.710 131.710 125.879 5.831 19147 1166 1 5 . 1 1 38 38 GLU HA H 38 3.933 3.933 4.097 -0.164 19147 1167 1 5 . 1 1 38 38 GLU C C 38 177.342 177.342 177.298 0.044 19147 1168 1 5 . 1 1 38 38 GLU CA C 38 58.288 58.288 59.024 -0.736 19147 1169 1 5 . 1 1 38 38 GLU CB C 38 28.628 28.628 29.095 -0.466 19147 1170 1 5 . 1 1 38 38 GLU H H 38 9.079 9.079 8.713 0.366 19147 1171 1 5 . 1 1 39 39 GLY N N 39 112.546 112.546 106.416 6.130 19147 1172 1 5 . 1 1 39 39 GLY C C 39 173.431 173.431 174.901 -1.470 19147 1173 1 5 . 1 1 39 39 GLY CA C 39 44.725 44.725 46.090 -1.365 19147 1174 1 5 . 1 1 39 39 GLY H H 39 8.693 8.693 8.347 0.346 19147 1175 1 5 . 1 1 40 40 CYS N N 40 123.383 123.383 118.803 4.580 19147 1176 1 5 . 1 1 40 40 CYS HA H 40 4.492 4.492 4.583 -0.091 19147 1177 1 5 . 1 1 40 40 CYS C C 40 175.659 175.659 175.295 0.364 19147 1178 1 5 . 1 1 40 40 CYS CA C 40 59.558 59.558 59.817 -0.259 19147 1179 1 5 . 1 1 40 40 CYS CB C 40 30.181 30.181 30.008 0.173 19147 1180 1 5 . 1 1 40 40 CYS H H 40 7.838 7.838 7.947 -0.109 19147 1181 1 5 . 1 1 41 41 GLY N N 41 108.697 108.697 109.784 -1.087 19147 1182 1 5 . 1 1 41 41 GLY C C 41 174.261 174.261 173.228 1.033 19147 1183 1 5 . 1 1 41 41 GLY CA C 41 46.283 46.283 46.359 -0.076 19147 1184 1 5 . 1 1 41 41 GLY H H 41 8.109 8.109 8.175 -0.066 19147 1185 1 5 . 1 1 42 42 PHE N N 42 124.198 124.198 117.542 6.656 19147 1186 1 5 . 1 1 42 42 PHE HA H 42 4.579 4.579 4.892 -0.313 19147 1187 1 5 . 1 1 42 42 PHE C C 42 172.886 172.886 173.960 -1.074 19147 1188 1 5 . 1 1 42 42 PHE CA C 42 58.164 58.164 53.971 4.193 19147 1189 1 5 . 1 1 42 42 PHE CB C 42 38.872 38.872 41.084 -2.212 19147 1190 1 5 . 1 1 42 42 PHE H H 42 8.140 8.140 7.779 0.361 19147 1191 1 5 . 1 1 43 43 ASP N N 43 129.158 129.158 121.488 7.670 19147 1192 1 5 . 1 1 43 43 ASP HA H 43 5.377 5.377 4.744 0.633 19147 1193 1 5 . 1 1 43 43 ASP C C 43 175.493 175.493 175.107 0.386 19147 1194 1 5 . 1 1 43 43 ASP CA C 43 51.991 51.991 53.562 -1.571 19147 1195 1 5 . 1 1 43 43 ASP CB C 43 42.089 42.089 42.351 -0.262 19147 1196 1 5 . 1 1 43 43 ASP H H 43 7.830 7.830 8.522 -0.692 19147 1197 1 5 . 1 1 44 44 TYR N N 44 121.015 121.015 116.315 4.700 19147 1198 1 5 . 1 1 44 44 TYR HA H 44 5.072 5.072 5.099 -0.027 19147 1199 1 5 . 1 1 44 44 TYR C C 44 173.882 173.882 173.594 0.288 19147 1200 1 5 . 1 1 44 44 TYR CA C 44 54.551 54.551 56.938 -2.387 19147 1201 1 5 . 1 1 44 44 TYR CB C 44 41.061 41.061 39.005 2.057 19147 1202 1 5 . 1 1 44 44 TYR H H 44 9.264 9.264 7.686 1.578 19147 1203 1 5 . 1 1 45 45 CYS N N 45 121.008 121.008 120.202 0.806 19147 1204 1 5 . 1 1 45 45 CYS HA H 45 5.157 5.157 5.021 0.136 19147 1205 1 5 . 1 1 45 45 CYS C C 45 178.385 178.385 175.975 2.410 19147 1206 1 5 . 1 1 45 45 CYS CA C 45 56.934 56.934 59.364 -2.430 19147 1207 1 5 . 1 1 45 45 CYS CB C 45 31.953 31.953 30.325 1.629 19147 1208 1 5 . 1 1 45 45 CYS H H 45 8.420 8.420 8.781 -0.361 19147 1209 1 5 . 1 1 46 46 THR N N 46 120.657 120.657 121.356 -0.699 19147 1210 1 5 . 1 1 46 46 THR HA H 46 4.090 4.090 4.372 -0.282 19147 1211 1 5 . 1 1 46 46 THR C C 46 174.593 174.593 175.071 -0.478 19147 1212 1 5 . 1 1 46 46 THR CA C 46 64.084 64.084 63.892 0.192 19147 1213 1 5 . 1 1 46 46 THR CB C 46 66.577 66.577 69.030 -2.453 19147 1214 1 5 . 1 1 46 46 THR H H 46 8.518 8.518 8.592 -0.074 19147 1215 1 5 . 1 1 47 47 LYS N N 47 124.516 124.516 121.887 2.629 19147 1216 1 5 . 1 1 47 47 LYS HA H 47 4.377 4.377 4.219 0.158 19147 1217 1 5 . 1 1 47 47 LYS C C 47 177.319 177.319 177.820 -0.501 19147 1218 1 5 . 1 1 47 47 LYS CA C 47 58.163 58.163 58.623 -0.460 19147 1219 1 5 . 1 1 47 47 LYS CB C 47 32.753 32.753 32.003 0.750 19147 1220 1 5 . 1 1 47 47 LYS H H 47 9.452 9.452 8.369 1.083 19147 1221 1 5 . 1 1 48 48 CYS N N 48 116.543 116.543 116.745 -0.202 19147 1222 1 5 . 1 1 48 48 CYS HA H 48 4.817 4.817 4.403 0.414 19147 1223 1 5 . 1 1 48 48 CYS C C 48 175.920 175.920 175.110 0.810 19147 1224 1 5 . 1 1 48 48 CYS CA C 48 57.997 57.997 59.369 -1.372 19147 1225 1 5 . 1 1 48 48 CYS CB C 48 32.109 32.109 27.238 4.871 19147 1226 1 5 . 1 1 48 48 CYS H H 48 8.244 8.244 8.257 -0.013 19147 1227 1 5 . 1 1 49 49 LEU N N 49 118.590 118.590 116.362 2.228 19147 1228 1 5 . 1 1 49 49 LEU HA H 49 4.247 4.247 4.334 -0.087 19147 1229 1 5 . 1 1 49 49 LEU C C 49 176.916 176.916 176.493 0.423 19147 1230 1 5 . 1 1 49 49 LEU CA C 49 56.333 56.333 56.010 0.323 19147 1231 1 5 . 1 1 49 49 LEU CB C 49 36.861 36.861 40.666 -3.805 19147 1232 1 5 . 1 1 49 49 LEU H H 49 8.181 8.181 8.117 0.064 19147 1233 1 5 . 1 1 50 50 CYS N N 50 115.484 115.484 116.506 -1.022 19147 1234 1 5 . 1 1 50 50 CYS HA H 50 4.938 4.938 4.638 0.300 19147 1235 1 5 . 1 1 50 50 CYS C C 50 173.194 173.194 173.839 -0.645 19147 1236 1 5 . 1 1 50 50 CYS CA C 50 57.589 57.589 56.385 1.204 19147 1237 1 5 . 1 1 50 50 CYS CB C 50 30.662 30.662 30.665 -0.002 19147 1238 1 5 . 1 1 50 50 CYS H H 50 8.001 8.001 7.938 0.063 19147 1239 1 5 . 1 1 51 51 ASN N N 51 116.975 116.975 119.207 -2.232 19147 1240 1 5 . 1 1 51 51 ASN HA H 51 4.427 4.427 4.682 -0.255 19147 1241 1 5 . 1 1 51 51 ASN C C 51 174.640 174.640 174.560 0.080 19147 1242 1 5 . 1 1 51 51 ASN CA C 51 54.190 54.190 54.423 -0.234 19147 1243 1 5 . 1 1 51 51 ASN CB C 51 38.421 38.421 38.764 -0.343 19147 1244 1 5 . 1 1 51 51 ASN H H 51 8.453 8.453 8.567 -0.114 19147 1245 1 5 . 1 1 52 52 TYR N N 52 123.645 123.645 124.086 -0.441 19147 1246 1 5 . 1 1 52 52 TYR HA H 52 3.628 3.628 4.282 -0.654 19147 1247 1 5 . 1 1 52 52 TYR C C 52 173.953 173.953 177.030 -3.077 19147 1248 1 5 . 1 1 52 52 TYR CA C 52 61.742 61.742 59.971 1.771 19147 1249 1 5 . 1 1 52 52 TYR CB C 52 37.030 37.030 39.310 -2.280 19147 1250 1 5 . 1 1 52 52 TYR H H 52 8.903 8.903 8.302 0.601 19147 1251 1 5 . 1 1 53 53 HIS N N 53 123.135 123.135 122.289 0.846 19147 1252 1 5 . 1 1 53 53 HIS HA H 53 4.673 4.673 4.140 0.533 19147 1253 1 5 . 1 1 53 53 HIS C C 53 173.360 173.360 176.368 -3.008 19147 1254 1 5 . 1 1 53 53 HIS CA C 53 51.116 51.116 59.495 -8.379 19147 1255 1 5 . 1 1 53 53 HIS CB C 53 29.297 29.297 29.505 -0.208 19147 1256 1 5 . 1 1 53 53 HIS H H 53 5.918 5.918 7.959 -2.041 19147 1257 1 5 . 1 1 54 54 THR N N 54 110.786 110.786 111.243 -0.457 19147 1258 1 5 . 1 1 54 54 THR HA H 54 3.786 3.786 4.168 -0.382 19147 1259 1 5 . 1 1 54 54 THR C C 54 175.778 175.778 173.820 1.958 19147 1260 1 5 . 1 1 54 54 THR CA C 54 62.088 62.088 63.868 -1.780 19147 1261 1 5 . 1 1 54 54 THR CB C 54 68.634 68.634 67.240 1.394 19147 1262 1 5 . 1 1 54 54 THR H H 54 7.632 7.632 8.625 -0.993 19147 1263 1 5 . 1 1 55 55 THR N N 55 113.157 113.157 110.517 2.640 19147 1264 1 5 . 1 1 55 55 THR HA H 55 4.656 4.656 4.433 0.223 19147 1265 1 5 . 1 1 55 55 THR C C 55 175.209 175.209 173.944 1.265 19147 1266 1 5 . 1 1 55 55 THR CA C 55 60.909 60.909 60.518 0.391 19147 1267 1 5 . 1 1 55 55 THR CB C 55 68.720 68.720 70.442 -1.722 19147 1268 1 5 . 1 1 55 55 THR H H 55 7.746 7.746 7.343 0.403 19147 1269 1 5 . 1 1 56 56 LYS N N 56 122.548 122.548 121.059 1.489 19147 1270 1 5 . 1 1 56 56 LYS HA H 56 4.247 4.247 4.157 0.090 19147 1271 1 5 . 1 1 56 56 LYS C C 56 176.726 176.726 176.603 0.123 19147 1272 1 5 . 1 1 56 56 LYS CA C 56 56.714 56.714 58.189 -1.475 19147 1273 1 5 . 1 1 56 56 LYS CB C 56 32.279 32.279 32.380 -0.101 19147 1274 1 5 . 1 1 56 56 LYS H H 56 8.344 8.344 8.618 -0.274 19147 1275 1 5 . 1 1 57 57 ASP N N 57 119.260 119.260 114.901 4.359 19147 1276 1 5 . 1 1 57 57 ASP HA H 57 4.684 4.684 4.692 -0.008 19147 1277 1 5 . 1 1 57 57 ASP C C 57 176.323 176.323 174.739 1.584 19147 1278 1 5 . 1 1 57 57 ASP CA C 57 53.331 53.331 52.644 0.687 19147 1279 1 5 . 1 1 57 57 ASP CB C 57 41.168 41.168 42.344 -1.176 19147 1280 1 5 . 1 1 57 57 ASP H H 57 8.201 8.201 8.001 0.200 19147 1281 1 6 . 1 1 14 14 LEU N N 14 123.914 123.914 121.972 1.942 19147 1282 1 6 . 1 1 14 14 LEU HA H 14 4.914 4.914 4.598 0.316 19147 1283 1 6 . 1 1 14 14 LEU C C 14 176.963 176.963 176.980 -0.017 19147 1284 1 6 . 1 1 14 14 LEU CA C 14 54.055 54.055 54.960 -0.905 19147 1285 1 6 . 1 1 14 14 LEU CB C 14 44.013 44.013 42.922 1.091 19147 1286 1 6 . 1 1 14 14 LEU H H 14 8.089 8.089 7.797 0.292 19147 1287 1 6 . 1 1 15 15 LYS N N 15 121.013 121.013 120.249 0.764 19147 1288 1 6 . 1 1 15 15 LYS HA H 15 4.323 4.323 4.573 -0.250 19147 1289 1 6 . 1 1 15 15 LYS C C 15 174.711 174.711 175.613 -0.902 19147 1290 1 6 . 1 1 15 15 LYS CA C 15 53.956 53.956 53.763 0.193 19147 1291 1 6 . 1 1 15 15 LYS CB C 15 35.171 35.171 34.166 1.005 19147 1292 1 6 . 1 1 15 15 LYS H H 15 8.548 8.548 8.356 0.192 19147 1293 1 6 . 1 1 16 16 ALA N N 16 124.835 124.835 122.809 2.026 19147 1294 1 6 . 1 1 16 16 ALA HA H 16 4.424 4.424 4.747 -0.323 19147 1295 1 6 . 1 1 16 16 ALA C C 16 176.513 176.513 177.425 -0.912 19147 1296 1 6 . 1 1 16 16 ALA CA C 16 50.701 50.701 50.669 0.032 19147 1297 1 6 . 1 1 16 16 ALA CB C 16 19.404 19.404 19.088 0.316 19147 1298 1 6 . 1 1 16 16 ALA H H 16 8.119 8.119 8.368 -0.249 19147 1299 1 6 . 1 1 17 17 CYS N N 17 125.963 125.963 123.041 2.922 19147 1300 1 6 . 1 1 17 17 CYS HA H 17 4.530 4.530 4.281 0.249 19147 1301 1 6 . 1 1 17 17 CYS C C 17 179.428 179.428 177.173 2.255 19147 1302 1 6 . 1 1 17 17 CYS CA C 17 59.687 59.687 59.087 0.600 19147 1303 1 6 . 1 1 17 17 CYS CB C 17 31.087 31.087 29.409 1.679 19147 1304 1 6 . 1 1 17 17 CYS H H 17 9.517 9.517 8.243 1.274 19147 1305 1 6 . 1 1 18 18 ILE N N 18 124.917 124.917 121.696 3.221 19147 1306 1 6 . 1 1 18 18 ILE HA H 18 4.039 4.039 4.144 -0.105 19147 1307 1 6 . 1 1 18 18 ILE C C 18 175.825 175.825 176.024 -0.199 19147 1308 1 6 . 1 1 18 18 ILE CA C 18 62.353 62.353 62.703 -0.350 19147 1309 1 6 . 1 1 18 18 ILE CB C 18 37.671 37.671 37.794 -0.123 19147 1310 1 6 . 1 1 18 18 ILE H H 18 7.244 7.244 8.490 -1.246 19147 1311 1 6 . 1 1 19 19 ARG N N 19 124.247 124.247 121.625 2.622 19147 1312 1 6 . 1 1 19 19 ARG HA H 19 4.235 4.235 4.189 0.046 19147 1313 1 6 . 1 1 19 19 ARG C C 19 177.413 177.413 176.338 1.075 19147 1314 1 6 . 1 1 19 19 ARG CA C 19 57.820 57.820 58.373 -0.553 19147 1315 1 6 . 1 1 19 19 ARG CB C 19 31.496 31.496 30.628 0.868 19147 1316 1 6 . 1 1 19 19 ARG H H 19 9.392 9.392 8.291 1.101 19147 1317 1 6 . 1 1 20 20 CYS N N 20 118.959 118.959 113.924 5.035 19147 1318 1 6 . 1 1 20 20 CYS HA H 20 4.933 4.933 4.798 0.135 19147 1319 1 6 . 1 1 20 20 CYS C C 20 178.409 178.409 173.403 5.006 19147 1320 1 6 . 1 1 20 20 CYS CA C 20 58.663 58.663 57.226 1.437 19147 1321 1 6 . 1 1 20 20 CYS CB C 20 32.067 32.067 29.279 2.788 19147 1322 1 6 . 1 1 20 20 CYS H H 20 8.541 8.541 7.709 0.832 19147 1323 1 6 . 1 1 21 21 ASN N N 21 120.450 120.450 119.876 0.574 19147 1324 1 6 . 1 1 21 21 ASN HA H 21 4.422 4.422 4.436 -0.014 19147 1325 1 6 . 1 1 21 21 ASN C C 21 174.237 174.237 174.606 -0.369 19147 1326 1 6 . 1 1 21 21 ASN CA C 21 55.172 55.172 54.186 0.986 19147 1327 1 6 . 1 1 21 21 ASN CB C 21 38.545 38.545 37.296 1.249 19147 1328 1 6 . 1 1 21 21 ASN H H 21 8.533 8.533 8.211 0.322 19147 1329 1 6 . 1 1 22 22 SER N N 22 119.717 119.717 114.898 4.819 19147 1330 1 6 . 1 1 22 22 SER HA H 22 4.643 4.643 4.715 -0.072 19147 1331 1 6 . 1 1 22 22 SER CA C 22 58.269 58.269 56.782 1.487 19147 1332 1 6 . 1 1 22 22 SER CB C 22 61.998 61.998 64.756 -2.758 19147 1333 1 6 . 1 1 22 22 SER H H 22 8.742 8.742 8.171 0.571 19147 1334 1 6 . 1 1 23 23 PRO HA H 23 4.375 4.375 4.747 -0.372 19147 1335 1 6 . 1 1 23 23 PRO CA C 23 64.211 64.211 62.975 1.236 19147 1336 1 6 . 1 1 23 23 PRO CB C 23 31.883 31.883 30.962 0.921 19147 1337 1 6 . 1 1 24 24 ALA N N 24 126.670 126.670 128.044 -1.374 19147 1338 1 6 . 1 1 24 24 ALA HA H 24 4.756 4.756 4.797 -0.041 19147 1339 1 6 . 1 1 24 24 ALA C C 24 176.157 176.157 176.266 -0.109 19147 1340 1 6 . 1 1 24 24 ALA CA C 24 49.817 49.817 50.069 -0.251 19147 1341 1 6 . 1 1 24 24 ALA CB C 24 19.920 19.920 21.885 -1.965 19147 1342 1 6 . 1 1 24 24 ALA H H 24 8.732 8.732 8.395 0.337 19147 1343 1 6 . 1 1 25 25 LYS N N 25 122.456 122.456 127.081 -4.625 19147 1344 1 6 . 1 1 25 25 LYS HA H 25 4.260 4.260 4.082 0.178 19147 1345 1 6 . 1 1 25 25 LYS C C 25 175.612 175.612 175.110 0.502 19147 1346 1 6 . 1 1 25 25 LYS CA C 25 56.269 56.269 55.940 0.329 19147 1347 1 6 . 1 1 25 25 LYS CB C 25 32.912 32.912 32.609 0.303 19147 1348 1 6 . 1 1 25 25 LYS H H 25 8.045 8.045 8.342 -0.297 19147 1349 1 6 . 1 1 26 26 TYR N N 26 128.452 128.452 129.742 -1.290 19147 1350 1 6 . 1 1 26 26 TYR HA H 26 5.275 5.275 4.763 0.512 19147 1351 1 6 . 1 1 26 26 TYR C C 26 173.550 173.550 175.201 -1.651 19147 1352 1 6 . 1 1 26 26 TYR CA C 26 54.572 54.572 56.487 -1.915 19147 1353 1 6 . 1 1 26 26 TYR CB C 26 40.463 40.463 39.382 1.081 19147 1354 1 6 . 1 1 26 26 TYR H H 26 8.734 8.734 8.380 0.354 19147 1355 1 6 . 1 1 27 27 ASP N N 27 129.563 129.563 129.104 0.459 19147 1356 1 6 . 1 1 27 27 ASP HA H 27 4.525 4.525 4.781 -0.256 19147 1357 1 6 . 1 1 27 27 ASP C C 27 175.920 175.920 176.403 -0.483 19147 1358 1 6 . 1 1 27 27 ASP CA C 27 51.470 51.470 52.298 -0.828 19147 1359 1 6 . 1 1 27 27 ASP CB C 27 42.426 42.426 40.881 1.545 19147 1360 1 6 . 1 1 27 27 ASP H H 27 8.714 8.714 8.925 -0.211 19147 1361 1 6 . 1 1 28 28 CYS N N 28 122.534 122.534 120.586 1.948 19147 1362 1 6 . 1 1 28 28 CYS HA H 28 3.753 3.753 3.978 -0.225 19147 1363 1 6 . 1 1 28 28 CYS C C 28 175.043 175.043 175.650 -0.607 19147 1364 1 6 . 1 1 28 28 CYS CA C 28 58.504 58.504 59.827 -1.323 19147 1365 1 6 . 1 1 28 28 CYS CB C 28 26.501 26.501 27.002 -0.500 19147 1366 1 6 . 1 1 28 28 CYS H H 28 8.226 8.226 8.056 0.170 19147 1367 1 6 . 1 1 29 29 TYR N N 29 123.853 123.853 120.213 3.640 19147 1368 1 6 . 1 1 29 29 TYR HA H 29 4.319 4.319 4.188 0.131 19147 1369 1 6 . 1 1 29 29 TYR C C 29 177.722 177.722 176.359 1.363 19147 1370 1 6 . 1 1 29 29 TYR CA C 29 59.695 59.695 60.898 -1.203 19147 1371 1 6 . 1 1 29 29 TYR CB C 29 37.305 37.305 38.823 -1.518 19147 1372 1 6 . 1 1 29 29 TYR H H 29 8.206 8.206 7.892 0.314 19147 1373 1 6 . 1 1 30 30 LEU N N 30 117.184 117.184 115.340 1.844 19147 1374 1 6 . 1 1 30 30 LEU HA H 30 4.068 4.068 4.627 -0.559 19147 1375 1 6 . 1 1 30 30 LEU C C 30 177.058 177.058 175.813 1.245 19147 1376 1 6 . 1 1 30 30 LEU CA C 30 53.970 53.970 54.374 -0.404 19147 1377 1 6 . 1 1 30 30 LEU CB C 30 42.216 42.216 42.877 -0.661 19147 1378 1 6 . 1 1 30 30 LEU H H 30 7.681 7.681 7.720 -0.039 19147 1379 1 6 . 1 1 31 31 GLN N N 31 115.267 115.267 116.018 -0.751 19147 1380 1 6 . 1 1 31 31 GLN HA H 31 3.551 3.551 4.215 -0.664 19147 1381 1 6 . 1 1 31 31 GLN C C 31 173.739 173.739 174.982 -1.243 19147 1382 1 6 . 1 1 31 31 GLN CA C 31 57.133 57.133 57.423 -0.290 19147 1383 1 6 . 1 1 31 31 GLN CB C 31 25.119 25.119 26.302 -1.183 19147 1384 1 6 . 1 1 31 31 GLN H H 31 7.740 7.740 7.912 -0.172 19147 1385 1 6 . 1 1 32 32 ARG N N 32 120.485 120.485 114.656 5.829 19147 1386 1 6 . 1 1 32 32 ARG HA H 32 5.053 5.053 5.265 -0.212 19147 1387 1 6 . 1 1 32 32 ARG C C 32 173.384 173.384 173.778 -0.394 19147 1388 1 6 . 1 1 32 32 ARG CA C 32 52.928 52.928 54.125 -1.197 19147 1389 1 6 . 1 1 32 32 ARG CB C 32 36.499 36.499 33.941 2.558 19147 1390 1 6 . 1 1 32 32 ARG H H 32 7.213 7.213 7.766 -0.553 19147 1391 1 6 . 1 1 33 33 ALA N N 33 130.237 130.237 123.142 7.095 19147 1392 1 6 . 1 1 33 33 ALA HA H 33 5.295 5.295 5.405 -0.110 19147 1393 1 6 . 1 1 33 33 ALA C C 33 174.522 174.522 175.553 -1.031 19147 1394 1 6 . 1 1 33 33 ALA CA C 33 49.099 49.099 49.585 -0.486 19147 1395 1 6 . 1 1 33 33 ALA CB C 33 20.309 20.309 22.060 -1.751 19147 1396 1 6 . 1 1 33 33 ALA H H 33 8.763 8.763 8.731 0.032 19147 1397 1 6 . 1 1 34 34 THR N N 34 114.351 114.351 117.321 -2.970 19147 1398 1 6 . 1 1 34 34 THR HA H 34 4.904 4.904 4.902 0.002 19147 1399 1 6 . 1 1 34 34 THR C C 34 173.597 173.597 174.570 -0.973 19147 1400 1 6 . 1 1 34 34 THR CA C 34 60.450 60.450 60.397 0.053 19147 1401 1 6 . 1 1 34 34 THR CB C 34 70.553 70.553 70.029 0.524 19147 1402 1 6 . 1 1 34 34 THR H H 34 8.269 8.269 8.241 0.028 19147 1403 1 6 . 1 1 35 35 CYS N N 35 133.180 133.180 126.986 6.194 19147 1404 1 6 . 1 1 35 35 CYS HA H 35 3.909 3.909 4.127 -0.218 19147 1405 1 6 . 1 1 35 35 CYS C C 35 175.825 175.825 175.641 0.184 19147 1406 1 6 . 1 1 35 35 CYS CA C 35 61.216 61.216 61.338 -0.122 19147 1407 1 6 . 1 1 35 35 CYS CB C 35 31.563 31.563 29.332 2.231 19147 1408 1 6 . 1 1 35 35 CYS H H 35 9.133 9.133 8.353 0.780 19147 1409 1 6 . 1 1 36 36 LYS N N 36 125.753 125.753 127.282 -1.529 19147 1410 1 6 . 1 1 36 36 LYS HA H 36 4.324 4.324 4.217 0.107 19147 1411 1 6 . 1 1 36 36 LYS C C 36 176.323 176.323 177.159 -0.836 19147 1412 1 6 . 1 1 36 36 LYS CA C 36 55.921 55.921 56.821 -0.899 19147 1413 1 6 . 1 1 36 36 LYS CB C 36 32.422 32.422 32.644 -0.222 19147 1414 1 6 . 1 1 36 36 LYS H H 36 8.343 8.343 8.146 0.197 19147 1415 1 6 . 1 1 37 37 ARG N N 37 127.726 127.726 122.292 5.434 19147 1416 1 6 . 1 1 37 37 ARG HA H 37 4.133 4.133 4.181 -0.048 19147 1417 1 6 . 1 1 37 37 ARG C C 37 177.650 177.650 177.885 -0.235 19147 1418 1 6 . 1 1 37 37 ARG CA C 37 56.595 56.595 56.663 -0.068 19147 1419 1 6 . 1 1 37 37 ARG CB C 37 30.759 30.759 30.855 -0.096 19147 1420 1 6 . 1 1 37 37 ARG H H 37 9.381 9.381 7.653 1.728 19147 1421 1 6 . 1 1 38 38 GLU N N 38 131.710 131.710 125.783 5.927 19147 1422 1 6 . 1 1 38 38 GLU HA H 38 3.933 3.933 4.101 -0.168 19147 1423 1 6 . 1 1 38 38 GLU C C 38 177.342 177.342 177.533 -0.191 19147 1424 1 6 . 1 1 38 38 GLU CA C 38 58.288 58.288 59.159 -0.871 19147 1425 1 6 . 1 1 38 38 GLU CB C 38 28.628 28.628 29.234 -0.606 19147 1426 1 6 . 1 1 38 38 GLU H H 38 9.079 9.079 8.785 0.294 19147 1427 1 6 . 1 1 39 39 GLY N N 39 112.546 112.546 106.104 6.442 19147 1428 1 6 . 1 1 39 39 GLY C C 39 173.431 173.431 174.861 -1.430 19147 1429 1 6 . 1 1 39 39 GLY CA C 39 44.725 44.725 46.323 -1.598 19147 1430 1 6 . 1 1 39 39 GLY H H 39 8.693 8.693 8.287 0.406 19147 1431 1 6 . 1 1 40 40 CYS N N 40 123.383 123.383 118.535 4.848 19147 1432 1 6 . 1 1 40 40 CYS HA H 40 4.492 4.492 4.757 -0.265 19147 1433 1 6 . 1 1 40 40 CYS C C 40 175.659 175.659 175.705 -0.046 19147 1434 1 6 . 1 1 40 40 CYS CA C 40 59.558 59.558 59.716 -0.158 19147 1435 1 6 . 1 1 40 40 CYS CB C 40 30.181 30.181 30.443 -0.262 19147 1436 1 6 . 1 1 40 40 CYS H H 40 7.838 7.838 7.868 -0.030 19147 1437 1 6 . 1 1 41 41 GLY N N 41 108.697 108.697 109.934 -1.237 19147 1438 1 6 . 1 1 41 41 GLY C C 41 174.261 174.261 173.274 0.987 19147 1439 1 6 . 1 1 41 41 GLY CA C 41 46.283 46.283 46.437 -0.154 19147 1440 1 6 . 1 1 41 41 GLY H H 41 8.109 8.109 8.204 -0.095 19147 1441 1 6 . 1 1 42 42 PHE N N 42 124.198 124.198 116.525 7.673 19147 1442 1 6 . 1 1 42 42 PHE HA H 42 4.579 4.579 4.940 -0.361 19147 1443 1 6 . 1 1 42 42 PHE C C 42 172.886 172.886 173.881 -0.995 19147 1444 1 6 . 1 1 42 42 PHE CA C 42 58.164 58.164 53.978 4.186 19147 1445 1 6 . 1 1 42 42 PHE CB C 42 38.872 38.872 41.200 -2.328 19147 1446 1 6 . 1 1 42 42 PHE H H 42 8.140 8.140 7.732 0.408 19147 1447 1 6 . 1 1 43 43 ASP N N 43 129.158 129.158 120.815 8.343 19147 1448 1 6 . 1 1 43 43 ASP HA H 43 5.377 5.377 4.901 0.476 19147 1449 1 6 . 1 1 43 43 ASP C C 43 175.493 175.493 175.159 0.334 19147 1450 1 6 . 1 1 43 43 ASP CA C 43 51.991 51.991 52.995 -1.004 19147 1451 1 6 . 1 1 43 43 ASP CB C 43 42.089 42.089 42.101 -0.012 19147 1452 1 6 . 1 1 43 43 ASP H H 43 7.830 7.830 8.511 -0.681 19147 1453 1 6 . 1 1 44 44 TYR N N 44 121.015 121.015 115.941 5.074 19147 1454 1 6 . 1 1 44 44 TYR HA H 44 5.072 5.072 5.092 -0.020 19147 1455 1 6 . 1 1 44 44 TYR C C 44 173.882 173.882 173.838 0.044 19147 1456 1 6 . 1 1 44 44 TYR CA C 44 54.551 54.551 56.355 -1.804 19147 1457 1 6 . 1 1 44 44 TYR CB C 44 41.061 41.061 39.973 1.088 19147 1458 1 6 . 1 1 44 44 TYR H H 44 9.264 9.264 7.826 1.438 19147 1459 1 6 . 1 1 45 45 CYS N N 45 121.008 121.008 121.897 -0.889 19147 1460 1 6 . 1 1 45 45 CYS HA H 45 5.157 5.157 4.779 0.378 19147 1461 1 6 . 1 1 45 45 CYS C C 45 178.385 178.385 176.013 2.372 19147 1462 1 6 . 1 1 45 45 CYS CA C 45 56.934 56.934 60.482 -3.548 19147 1463 1 6 . 1 1 45 45 CYS CB C 45 31.953 31.953 29.687 2.266 19147 1464 1 6 . 1 1 45 45 CYS H H 45 8.420 8.420 8.971 -0.551 19147 1465 1 6 . 1 1 46 46 THR N N 46 120.657 120.657 121.475 -0.818 19147 1466 1 6 . 1 1 46 46 THR HA H 46 4.090 4.090 4.174 -0.084 19147 1467 1 6 . 1 1 46 46 THR C C 46 174.593 174.593 175.437 -0.844 19147 1468 1 6 . 1 1 46 46 THR CA C 46 64.084 64.084 64.142 -0.058 19147 1469 1 6 . 1 1 46 46 THR CB C 46 66.577 66.577 68.467 -1.890 19147 1470 1 6 . 1 1 46 46 THR H H 46 8.518 8.518 8.617 -0.099 19147 1471 1 6 . 1 1 47 47 LYS N N 47 124.516 124.516 120.461 4.055 19147 1472 1 6 . 1 1 47 47 LYS HA H 47 4.377 4.377 4.160 0.217 19147 1473 1 6 . 1 1 47 47 LYS C C 47 177.319 177.319 177.474 -0.155 19147 1474 1 6 . 1 1 47 47 LYS CA C 47 58.163 58.163 58.979 -0.816 19147 1475 1 6 . 1 1 47 47 LYS CB C 47 32.753 32.753 32.370 0.383 19147 1476 1 6 . 1 1 47 47 LYS H H 47 9.452 9.452 8.387 1.065 19147 1477 1 6 . 1 1 48 48 CYS N N 48 116.543 116.543 113.723 2.820 19147 1478 1 6 . 1 1 48 48 CYS HA H 48 4.817 4.817 4.895 -0.078 19147 1479 1 6 . 1 1 48 48 CYS C C 48 175.920 175.920 174.901 1.019 19147 1480 1 6 . 1 1 48 48 CYS CA C 48 57.997 57.997 57.315 0.682 19147 1481 1 6 . 1 1 48 48 CYS CB C 48 32.109 32.109 29.237 2.872 19147 1482 1 6 . 1 1 48 48 CYS H H 48 8.244 8.244 7.800 0.444 19147 1483 1 6 . 1 1 49 49 LEU N N 49 118.590 118.590 120.201 -1.611 19147 1484 1 6 . 1 1 49 49 LEU HA H 49 4.247 4.247 4.347 -0.100 19147 1485 1 6 . 1 1 49 49 LEU C C 49 176.916 176.916 175.928 0.988 19147 1486 1 6 . 1 1 49 49 LEU CA C 49 56.333 56.333 55.724 0.610 19147 1487 1 6 . 1 1 49 49 LEU CB C 49 36.861 36.861 39.314 -2.453 19147 1488 1 6 . 1 1 49 49 LEU H H 49 8.181 8.181 7.870 0.311 19147 1489 1 6 . 1 1 50 50 CYS N N 50 115.484 115.484 117.435 -1.951 19147 1490 1 6 . 1 1 50 50 CYS HA H 50 4.938 4.938 4.795 0.143 19147 1491 1 6 . 1 1 50 50 CYS C C 50 173.194 173.194 173.756 -0.562 19147 1492 1 6 . 1 1 50 50 CYS CA C 50 57.589 57.589 56.532 1.058 19147 1493 1 6 . 1 1 50 50 CYS CB C 50 30.662 30.662 31.619 -0.957 19147 1494 1 6 . 1 1 50 50 CYS H H 50 8.001 8.001 7.800 0.201 19147 1495 1 6 . 1 1 51 51 ASN N N 51 116.975 116.975 119.109 -2.134 19147 1496 1 6 . 1 1 51 51 ASN HA H 51 4.427 4.427 4.684 -0.257 19147 1497 1 6 . 1 1 51 51 ASN C C 51 174.640 174.640 175.151 -0.511 19147 1498 1 6 . 1 1 51 51 ASN CA C 51 54.190 54.190 55.008 -0.818 19147 1499 1 6 . 1 1 51 51 ASN CB C 51 38.421 38.421 39.007 -0.586 19147 1500 1 6 . 1 1 51 51 ASN H H 51 8.453 8.453 8.751 -0.298 19147 1501 1 6 . 1 1 52 52 TYR N N 52 123.645 123.645 124.150 -0.505 19147 1502 1 6 . 1 1 52 52 TYR HA H 52 3.628 3.628 4.323 -0.695 19147 1503 1 6 . 1 1 52 52 TYR C C 52 173.953 173.953 176.487 -2.534 19147 1504 1 6 . 1 1 52 52 TYR CA C 52 61.742 61.742 59.687 2.055 19147 1505 1 6 . 1 1 52 52 TYR CB C 52 37.030 37.030 39.776 -2.746 19147 1506 1 6 . 1 1 52 52 TYR H H 52 8.903 8.903 8.056 0.847 19147 1507 1 6 . 1 1 53 53 HIS N N 53 123.135 123.135 119.233 3.902 19147 1508 1 6 . 1 1 53 53 HIS HA H 53 4.673 4.673 4.497 0.176 19147 1509 1 6 . 1 1 53 53 HIS C C 53 173.360 173.360 175.499 -2.139 19147 1510 1 6 . 1 1 53 53 HIS CA C 53 51.116 51.116 57.087 -5.971 19147 1511 1 6 . 1 1 53 53 HIS CB C 53 29.297 29.297 29.007 0.290 19147 1512 1 6 . 1 1 53 53 HIS H H 53 5.918 5.918 8.116 -2.198 19147 1513 1 6 . 1 1 54 54 THR N N 54 110.786 110.786 113.460 -2.674 19147 1514 1 6 . 1 1 54 54 THR HA H 54 3.786 3.786 4.523 -0.737 19147 1515 1 6 . 1 1 54 54 THR C C 54 175.778 175.778 174.548 1.230 19147 1516 1 6 . 1 1 54 54 THR CA C 54 62.088 62.088 62.965 -0.877 19147 1517 1 6 . 1 1 54 54 THR CB C 54 68.634 68.634 69.169 -0.535 19147 1518 1 6 . 1 1 54 54 THR H H 54 7.632 7.632 8.255 -0.623 19147 1519 1 6 . 1 1 55 55 THR N N 55 113.157 113.157 115.694 -2.537 19147 1520 1 6 . 1 1 55 55 THR HA H 55 4.656 4.656 4.623 0.033 19147 1521 1 6 . 1 1 55 55 THR C C 55 175.209 175.209 174.719 0.490 19147 1522 1 6 . 1 1 55 55 THR CA C 55 60.909 60.909 60.160 0.749 19147 1523 1 6 . 1 1 55 55 THR CB C 55 68.720 68.720 70.830 -2.110 19147 1524 1 6 . 1 1 55 55 THR H H 55 7.746 7.746 7.442 0.304 19147 1525 1 6 . 1 1 56 56 LYS N N 56 122.548 122.548 121.271 1.277 19147 1526 1 6 . 1 1 56 56 LYS HA H 56 4.247 4.247 4.122 0.125 19147 1527 1 6 . 1 1 56 56 LYS C C 56 176.726 176.726 176.102 0.624 19147 1528 1 6 . 1 1 56 56 LYS CA C 56 56.714 56.714 58.528 -1.814 19147 1529 1 6 . 1 1 56 56 LYS CB C 56 32.279 32.279 32.804 -0.526 19147 1530 1 6 . 1 1 56 56 LYS H H 56 8.344 8.344 8.575 -0.231 19147 1531 1 6 . 1 1 57 57 ASP N N 57 119.260 119.260 114.407 4.853 19147 1532 1 6 . 1 1 57 57 ASP HA H 57 4.684 4.684 4.659 0.025 19147 1533 1 6 . 1 1 57 57 ASP C C 57 176.323 176.323 174.758 1.565 19147 1534 1 6 . 1 1 57 57 ASP CA C 57 53.331 53.331 53.217 0.114 19147 1535 1 6 . 1 1 57 57 ASP CB C 57 41.168 41.168 43.051 -1.883 19147 1536 1 6 . 1 1 57 57 ASP H H 57 8.201 8.201 8.011 0.190 19147 1537 1 7 . 1 1 14 14 LEU N N 14 123.914 123.914 125.099 -1.185 19147 1538 1 7 . 1 1 14 14 LEU HA H 14 4.914 4.914 4.794 0.120 19147 1539 1 7 . 1 1 14 14 LEU C C 14 176.963 176.963 177.399 -0.436 19147 1540 1 7 . 1 1 14 14 LEU CA C 14 54.055 54.055 53.910 0.145 19147 1541 1 7 . 1 1 14 14 LEU CB C 14 44.013 44.013 42.477 1.536 19147 1542 1 7 . 1 1 14 14 LEU H H 14 8.089 8.089 8.524 -0.435 19147 1543 1 7 . 1 1 15 15 LYS N N 15 121.013 121.013 123.484 -2.471 19147 1544 1 7 . 1 1 15 15 LYS HA H 15 4.323 4.323 4.455 -0.132 19147 1545 1 7 . 1 1 15 15 LYS C C 15 174.711 174.711 175.941 -1.230 19147 1546 1 7 . 1 1 15 15 LYS CA C 15 53.956 53.956 54.349 -0.393 19147 1547 1 7 . 1 1 15 15 LYS CB C 15 35.171 35.171 33.276 1.895 19147 1548 1 7 . 1 1 15 15 LYS H H 15 8.548 8.548 8.561 -0.013 19147 1549 1 7 . 1 1 16 16 ALA N N 16 124.835 124.835 122.122 2.713 19147 1550 1 7 . 1 1 16 16 ALA HA H 16 4.424 4.424 4.819 -0.395 19147 1551 1 7 . 1 1 16 16 ALA C C 16 176.513 176.513 176.909 -0.396 19147 1552 1 7 . 1 1 16 16 ALA CA C 16 50.701 50.701 50.494 0.207 19147 1553 1 7 . 1 1 16 16 ALA CB C 16 19.404 19.404 19.302 0.102 19147 1554 1 7 . 1 1 16 16 ALA H H 16 8.119 8.119 8.315 -0.196 19147 1555 1 7 . 1 1 17 17 CYS N N 17 125.963 125.963 122.803 3.160 19147 1556 1 7 . 1 1 17 17 CYS HA H 17 4.530 4.530 4.223 0.307 19147 1557 1 7 . 1 1 17 17 CYS C C 17 179.428 179.428 176.974 2.454 19147 1558 1 7 . 1 1 17 17 CYS CA C 17 59.687 59.687 60.397 -0.710 19147 1559 1 7 . 1 1 17 17 CYS CB C 17 31.087 31.087 29.732 1.355 19147 1560 1 7 . 1 1 17 17 CYS H H 17 9.517 9.517 8.242 1.275 19147 1561 1 7 . 1 1 18 18 ILE N N 18 124.917 124.917 122.526 2.391 19147 1562 1 7 . 1 1 18 18 ILE HA H 18 4.039 4.039 4.129 -0.090 19147 1563 1 7 . 1 1 18 18 ILE C C 18 175.825 175.825 175.766 0.059 19147 1564 1 7 . 1 1 18 18 ILE CA C 18 62.353 62.353 63.037 -0.684 19147 1565 1 7 . 1 1 18 18 ILE CB C 18 37.671 37.671 37.399 0.272 19147 1566 1 7 . 1 1 18 18 ILE H H 18 7.244 7.244 8.561 -1.317 19147 1567 1 7 . 1 1 19 19 ARG N N 19 124.247 124.247 122.729 1.518 19147 1568 1 7 . 1 1 19 19 ARG HA H 19 4.235 4.235 4.204 0.031 19147 1569 1 7 . 1 1 19 19 ARG C C 19 177.413 177.413 176.660 0.753 19147 1570 1 7 . 1 1 19 19 ARG CA C 19 57.820 57.820 58.478 -0.658 19147 1571 1 7 . 1 1 19 19 ARG CB C 19 31.496 31.496 30.557 0.939 19147 1572 1 7 . 1 1 19 19 ARG H H 19 9.392 9.392 8.552 0.840 19147 1573 1 7 . 1 1 20 20 CYS N N 20 118.959 118.959 113.572 5.387 19147 1574 1 7 . 1 1 20 20 CYS HA H 20 4.933 4.933 4.786 0.147 19147 1575 1 7 . 1 1 20 20 CYS C C 20 178.409 178.409 174.052 4.357 19147 1576 1 7 . 1 1 20 20 CYS CA C 20 58.663 58.663 57.098 1.565 19147 1577 1 7 . 1 1 20 20 CYS CB C 20 32.067 32.067 29.376 2.691 19147 1578 1 7 . 1 1 20 20 CYS H H 20 8.541 8.541 7.803 0.738 19147 1579 1 7 . 1 1 21 21 ASN N N 21 120.450 120.450 120.356 0.094 19147 1580 1 7 . 1 1 21 21 ASN HA H 21 4.422 4.422 4.538 -0.116 19147 1581 1 7 . 1 1 21 21 ASN C C 21 174.237 174.237 173.737 0.500 19147 1582 1 7 . 1 1 21 21 ASN CA C 21 55.172 55.172 54.484 0.688 19147 1583 1 7 . 1 1 21 21 ASN CB C 21 38.545 38.545 37.884 0.661 19147 1584 1 7 . 1 1 21 21 ASN H H 21 8.533 8.533 8.224 0.309 19147 1585 1 7 . 1 1 22 22 SER N N 22 119.717 119.717 116.728 2.989 19147 1586 1 7 . 1 1 22 22 SER HA H 22 4.643 4.643 4.884 -0.241 19147 1587 1 7 . 1 1 22 22 SER CA C 22 58.269 58.269 56.713 1.556 19147 1588 1 7 . 1 1 22 22 SER CB C 22 61.998 61.998 65.671 -3.673 19147 1589 1 7 . 1 1 22 22 SER H H 22 8.742 8.742 8.340 0.402 19147 1590 1 7 . 1 1 23 23 PRO HA H 23 4.375 4.375 4.802 -0.427 19147 1591 1 7 . 1 1 23 23 PRO CA C 23 64.211 64.211 62.869 1.342 19147 1592 1 7 . 1 1 23 23 PRO CB C 23 31.883 31.883 31.160 0.723 19147 1593 1 7 . 1 1 24 24 ALA N N 24 126.670 126.670 127.961 -1.291 19147 1594 1 7 . 1 1 24 24 ALA HA H 24 4.756 4.756 4.794 -0.038 19147 1595 1 7 . 1 1 24 24 ALA C C 24 176.157 176.157 176.431 -0.274 19147 1596 1 7 . 1 1 24 24 ALA CA C 24 49.817 49.817 49.997 -0.180 19147 1597 1 7 . 1 1 24 24 ALA CB C 24 19.920 19.920 21.928 -2.008 19147 1598 1 7 . 1 1 24 24 ALA H H 24 8.732 8.732 8.224 0.508 19147 1599 1 7 . 1 1 25 25 LYS N N 25 122.456 122.456 127.034 -4.578 19147 1600 1 7 . 1 1 25 25 LYS HA H 25 4.260 4.260 4.112 0.148 19147 1601 1 7 . 1 1 25 25 LYS C C 25 175.612 175.612 175.203 0.409 19147 1602 1 7 . 1 1 25 25 LYS CA C 25 56.269 56.269 55.670 0.598 19147 1603 1 7 . 1 1 25 25 LYS CB C 25 32.912 32.912 32.362 0.550 19147 1604 1 7 . 1 1 25 25 LYS H H 25 8.045 8.045 8.400 -0.355 19147 1605 1 7 . 1 1 26 26 TYR N N 26 128.452 128.452 129.967 -1.515 19147 1606 1 7 . 1 1 26 26 TYR HA H 26 5.275 5.275 4.658 0.617 19147 1607 1 7 . 1 1 26 26 TYR C C 26 173.550 173.550 175.139 -1.589 19147 1608 1 7 . 1 1 26 26 TYR CA C 26 54.572 54.572 56.994 -2.422 19147 1609 1 7 . 1 1 26 26 TYR CB C 26 40.463 40.463 39.305 1.158 19147 1610 1 7 . 1 1 26 26 TYR H H 26 8.734 8.734 8.367 0.367 19147 1611 1 7 . 1 1 27 27 ASP N N 27 129.563 129.563 129.610 -0.047 19147 1612 1 7 . 1 1 27 27 ASP HA H 27 4.525 4.525 4.733 -0.208 19147 1613 1 7 . 1 1 27 27 ASP C C 27 175.920 175.920 176.099 -0.179 19147 1614 1 7 . 1 1 27 27 ASP CA C 27 51.470 51.470 52.231 -0.761 19147 1615 1 7 . 1 1 27 27 ASP CB C 27 42.426 42.426 41.846 0.579 19147 1616 1 7 . 1 1 27 27 ASP H H 27 8.714 8.714 8.941 -0.227 19147 1617 1 7 . 1 1 28 28 CYS N N 28 122.534 122.534 123.574 -1.040 19147 1618 1 7 . 1 1 28 28 CYS HA H 28 3.753 3.753 4.075 -0.322 19147 1619 1 7 . 1 1 28 28 CYS C C 28 175.043 175.043 175.463 -0.420 19147 1620 1 7 . 1 1 28 28 CYS CA C 28 58.504 58.504 59.197 -0.693 19147 1621 1 7 . 1 1 28 28 CYS CB C 28 26.501 26.501 26.850 -0.349 19147 1622 1 7 . 1 1 28 28 CYS H H 28 8.226 8.226 8.346 -0.120 19147 1623 1 7 . 1 1 29 29 TYR N N 29 123.853 123.853 120.016 3.837 19147 1624 1 7 . 1 1 29 29 TYR HA H 29 4.319 4.319 4.158 0.161 19147 1625 1 7 . 1 1 29 29 TYR C C 29 177.722 177.722 176.473 1.249 19147 1626 1 7 . 1 1 29 29 TYR CA C 29 59.695 59.695 60.958 -1.263 19147 1627 1 7 . 1 1 29 29 TYR CB C 29 37.305 37.305 38.743 -1.438 19147 1628 1 7 . 1 1 29 29 TYR H H 29 8.206 8.206 7.877 0.329 19147 1629 1 7 . 1 1 30 30 LEU N N 30 117.184 117.184 115.078 2.106 19147 1630 1 7 . 1 1 30 30 LEU HA H 30 4.068 4.068 4.654 -0.586 19147 1631 1 7 . 1 1 30 30 LEU C C 30 177.058 177.058 175.799 1.259 19147 1632 1 7 . 1 1 30 30 LEU CA C 30 53.970 53.970 53.843 0.127 19147 1633 1 7 . 1 1 30 30 LEU CB C 30 42.216 42.216 42.819 -0.603 19147 1634 1 7 . 1 1 30 30 LEU H H 30 7.681 7.681 7.457 0.224 19147 1635 1 7 . 1 1 31 31 GLN N N 31 115.267 115.267 115.453 -0.186 19147 1636 1 7 . 1 1 31 31 GLN HA H 31 3.551 3.551 4.201 -0.650 19147 1637 1 7 . 1 1 31 31 GLN C C 31 173.739 173.739 174.691 -0.952 19147 1638 1 7 . 1 1 31 31 GLN CA C 31 57.133 57.133 57.393 -0.260 19147 1639 1 7 . 1 1 31 31 GLN CB C 31 25.119 25.119 26.436 -1.317 19147 1640 1 7 . 1 1 31 31 GLN H H 31 7.740 7.740 7.968 -0.228 19147 1641 1 7 . 1 1 32 32 ARG N N 32 120.485 120.485 115.037 5.448 19147 1642 1 7 . 1 1 32 32 ARG HA H 32 5.053 5.053 5.308 -0.255 19147 1643 1 7 . 1 1 32 32 ARG C C 32 173.384 173.384 173.777 -0.393 19147 1644 1 7 . 1 1 32 32 ARG CA C 32 52.928 52.928 53.588 -0.660 19147 1645 1 7 . 1 1 32 32 ARG CB C 32 36.499 36.499 34.630 1.869 19147 1646 1 7 . 1 1 32 32 ARG H H 32 7.213 7.213 7.880 -0.667 19147 1647 1 7 . 1 1 33 33 ALA N N 33 130.237 130.237 123.788 6.449 19147 1648 1 7 . 1 1 33 33 ALA HA H 33 5.295 5.295 5.359 -0.064 19147 1649 1 7 . 1 1 33 33 ALA C C 33 174.522 174.522 175.263 -0.741 19147 1650 1 7 . 1 1 33 33 ALA CA C 33 49.099 49.099 49.698 -0.599 19147 1651 1 7 . 1 1 33 33 ALA CB C 33 20.309 20.309 22.185 -1.876 19147 1652 1 7 . 1 1 33 33 ALA H H 33 8.763 8.763 8.794 -0.031 19147 1653 1 7 . 1 1 34 34 THR N N 34 114.351 114.351 117.490 -3.139 19147 1654 1 7 . 1 1 34 34 THR HA H 34 4.904 4.904 4.829 0.075 19147 1655 1 7 . 1 1 34 34 THR C C 34 173.597 173.597 174.318 -0.721 19147 1656 1 7 . 1 1 34 34 THR CA C 34 60.450 60.450 60.738 -0.288 19147 1657 1 7 . 1 1 34 34 THR CB C 34 70.553 70.553 69.549 1.004 19147 1658 1 7 . 1 1 34 34 THR H H 34 8.269 8.269 8.109 0.160 19147 1659 1 7 . 1 1 35 35 CYS N N 35 133.180 133.180 127.104 6.076 19147 1660 1 7 . 1 1 35 35 CYS HA H 35 3.909 3.909 4.171 -0.262 19147 1661 1 7 . 1 1 35 35 CYS C C 35 175.825 175.825 175.417 0.408 19147 1662 1 7 . 1 1 35 35 CYS CA C 35 61.216 61.216 60.502 0.714 19147 1663 1 7 . 1 1 35 35 CYS CB C 35 31.563 31.563 29.145 2.418 19147 1664 1 7 . 1 1 35 35 CYS H H 35 9.133 9.133 8.398 0.735 19147 1665 1 7 . 1 1 36 36 LYS N N 36 125.753 125.753 128.383 -2.630 19147 1666 1 7 . 1 1 36 36 LYS HA H 36 4.324 4.324 4.123 0.201 19147 1667 1 7 . 1 1 36 36 LYS C C 36 176.323 176.323 176.821 -0.498 19147 1668 1 7 . 1 1 36 36 LYS CA C 36 55.921 55.921 56.550 -0.629 19147 1669 1 7 . 1 1 36 36 LYS CB C 36 32.422 32.422 32.376 0.046 19147 1670 1 7 . 1 1 36 36 LYS H H 36 8.343 8.343 8.077 0.266 19147 1671 1 7 . 1 1 37 37 ARG N N 37 127.726 127.726 122.158 5.568 19147 1672 1 7 . 1 1 37 37 ARG HA H 37 4.133 4.133 4.126 0.007 19147 1673 1 7 . 1 1 37 37 ARG C C 37 177.650 177.650 177.884 -0.234 19147 1674 1 7 . 1 1 37 37 ARG CA C 37 56.595 56.595 56.920 -0.325 19147 1675 1 7 . 1 1 37 37 ARG CB C 37 30.759 30.759 30.168 0.592 19147 1676 1 7 . 1 1 37 37 ARG H H 37 9.381 9.381 7.655 1.726 19147 1677 1 7 . 1 1 38 38 GLU N N 38 131.710 131.710 125.123 6.587 19147 1678 1 7 . 1 1 38 38 GLU HA H 38 3.933 3.933 4.081 -0.148 19147 1679 1 7 . 1 1 38 38 GLU C C 38 177.342 177.342 177.706 -0.364 19147 1680 1 7 . 1 1 38 38 GLU CA C 38 58.288 58.288 59.157 -0.869 19147 1681 1 7 . 1 1 38 38 GLU CB C 38 28.628 28.628 29.340 -0.712 19147 1682 1 7 . 1 1 38 38 GLU H H 38 9.079 9.079 8.726 0.353 19147 1683 1 7 . 1 1 39 39 GLY N N 39 112.546 112.546 105.518 7.028 19147 1684 1 7 . 1 1 39 39 GLY C C 39 173.431 173.431 174.550 -1.119 19147 1685 1 7 . 1 1 39 39 GLY CA C 39 44.725 44.725 45.685 -0.960 19147 1686 1 7 . 1 1 39 39 GLY H H 39 8.693 8.693 8.358 0.335 19147 1687 1 7 . 1 1 40 40 CYS N N 40 123.383 123.383 118.264 5.119 19147 1688 1 7 . 1 1 40 40 CYS HA H 40 4.492 4.492 4.632 -0.140 19147 1689 1 7 . 1 1 40 40 CYS C C 40 175.659 175.659 175.339 0.320 19147 1690 1 7 . 1 1 40 40 CYS CA C 40 59.558 59.558 59.702 -0.144 19147 1691 1 7 . 1 1 40 40 CYS CB C 40 30.181 30.181 30.169 0.012 19147 1692 1 7 . 1 1 40 40 CYS H H 40 7.838 7.838 7.939 -0.101 19147 1693 1 7 . 1 1 41 41 GLY N N 41 108.697 108.697 109.893 -1.196 19147 1694 1 7 . 1 1 41 41 GLY C C 41 174.261 174.261 173.299 0.962 19147 1695 1 7 . 1 1 41 41 GLY CA C 41 46.283 46.283 46.426 -0.143 19147 1696 1 7 . 1 1 41 41 GLY H H 41 8.109 8.109 8.205 -0.096 19147 1697 1 7 . 1 1 42 42 PHE N N 42 124.198 124.198 117.491 6.707 19147 1698 1 7 . 1 1 42 42 PHE HA H 42 4.579 4.579 4.904 -0.325 19147 1699 1 7 . 1 1 42 42 PHE C C 42 172.886 172.886 173.876 -0.990 19147 1700 1 7 . 1 1 42 42 PHE CA C 42 58.164 58.164 54.036 4.128 19147 1701 1 7 . 1 1 42 42 PHE CB C 42 38.872 38.872 41.066 -2.194 19147 1702 1 7 . 1 1 42 42 PHE H H 42 8.140 8.140 7.737 0.403 19147 1703 1 7 . 1 1 43 43 ASP N N 43 129.158 129.158 121.345 7.813 19147 1704 1 7 . 1 1 43 43 ASP HA H 43 5.377 5.377 4.798 0.579 19147 1705 1 7 . 1 1 43 43 ASP C C 43 175.493 175.493 175.100 0.393 19147 1706 1 7 . 1 1 43 43 ASP CA C 43 51.991 51.991 53.432 -1.441 19147 1707 1 7 . 1 1 43 43 ASP CB C 43 42.089 42.089 42.398 -0.309 19147 1708 1 7 . 1 1 43 43 ASP H H 43 7.830 7.830 8.530 -0.700 19147 1709 1 7 . 1 1 44 44 TYR N N 44 121.015 121.015 116.214 4.801 19147 1710 1 7 . 1 1 44 44 TYR HA H 44 5.072 5.072 5.074 -0.002 19147 1711 1 7 . 1 1 44 44 TYR C C 44 173.882 173.882 173.678 0.204 19147 1712 1 7 . 1 1 44 44 TYR CA C 44 54.551 54.551 56.581 -2.030 19147 1713 1 7 . 1 1 44 44 TYR CB C 44 41.061 41.061 39.807 1.254 19147 1714 1 7 . 1 1 44 44 TYR H H 44 9.264 9.264 7.696 1.568 19147 1715 1 7 . 1 1 45 45 CYS N N 45 121.008 121.008 121.975 -0.967 19147 1716 1 7 . 1 1 45 45 CYS HA H 45 5.157 5.157 4.852 0.305 19147 1717 1 7 . 1 1 45 45 CYS C C 45 178.385 178.385 175.884 2.501 19147 1718 1 7 . 1 1 45 45 CYS CA C 45 56.934 56.934 60.424 -3.490 19147 1719 1 7 . 1 1 45 45 CYS CB C 45 31.953 31.953 29.446 2.507 19147 1720 1 7 . 1 1 45 45 CYS H H 45 8.420 8.420 8.864 -0.444 19147 1721 1 7 . 1 1 46 46 THR N N 46 120.657 120.657 122.422 -1.765 19147 1722 1 7 . 1 1 46 46 THR HA H 46 4.090 4.090 4.211 -0.121 19147 1723 1 7 . 1 1 46 46 THR C C 46 174.593 174.593 175.016 -0.423 19147 1724 1 7 . 1 1 46 46 THR CA C 46 64.084 64.084 63.448 0.636 19147 1725 1 7 . 1 1 46 46 THR CB C 46 66.577 66.577 68.700 -2.123 19147 1726 1 7 . 1 1 46 46 THR H H 46 8.518 8.518 8.605 -0.088 19147 1727 1 7 . 1 1 47 47 LYS N N 47 124.516 124.516 119.798 4.718 19147 1728 1 7 . 1 1 47 47 LYS HA H 47 4.377 4.377 4.212 0.165 19147 1729 1 7 . 1 1 47 47 LYS C C 47 177.319 177.319 177.946 -0.627 19147 1730 1 7 . 1 1 47 47 LYS CA C 47 58.163 58.163 58.697 -0.534 19147 1731 1 7 . 1 1 47 47 LYS CB C 47 32.753 32.753 32.044 0.709 19147 1732 1 7 . 1 1 47 47 LYS H H 47 9.452 9.452 8.167 1.285 19147 1733 1 7 . 1 1 48 48 CYS N N 48 116.543 116.543 115.097 1.446 19147 1734 1 7 . 1 1 48 48 CYS HA H 48 4.817 4.817 4.675 0.142 19147 1735 1 7 . 1 1 48 48 CYS C C 48 175.920 175.920 174.959 0.961 19147 1736 1 7 . 1 1 48 48 CYS CA C 48 57.997 57.997 57.409 0.588 19147 1737 1 7 . 1 1 48 48 CYS CB C 48 32.109 32.109 27.974 4.135 19147 1738 1 7 . 1 1 48 48 CYS H H 48 8.244 8.244 8.007 0.237 19147 1739 1 7 . 1 1 49 49 LEU N N 49 118.590 118.590 119.327 -0.737 19147 1740 1 7 . 1 1 49 49 LEU HA H 49 4.247 4.247 4.217 0.030 19147 1741 1 7 . 1 1 49 49 LEU C C 49 176.916 176.916 175.856 1.060 19147 1742 1 7 . 1 1 49 49 LEU CA C 49 56.333 56.333 55.738 0.595 19147 1743 1 7 . 1 1 49 49 LEU CB C 49 36.861 36.861 39.239 -2.378 19147 1744 1 7 . 1 1 49 49 LEU H H 49 8.181 8.181 8.216 -0.035 19147 1745 1 7 . 1 1 50 50 CYS N N 50 115.484 115.484 116.101 -0.617 19147 1746 1 7 . 1 1 50 50 CYS HA H 50 4.938 4.938 4.636 0.302 19147 1747 1 7 . 1 1 50 50 CYS C C 50 173.194 173.194 173.872 -0.678 19147 1748 1 7 . 1 1 50 50 CYS CA C 50 57.589 57.589 56.122 1.467 19147 1749 1 7 . 1 1 50 50 CYS CB C 50 30.662 30.662 31.579 -0.917 19147 1750 1 7 . 1 1 50 50 CYS H H 50 8.001 8.001 7.783 0.218 19147 1751 1 7 . 1 1 51 51 ASN N N 51 116.975 116.975 119.517 -2.542 19147 1752 1 7 . 1 1 51 51 ASN HA H 51 4.427 4.427 4.690 -0.263 19147 1753 1 7 . 1 1 51 51 ASN C C 51 174.640 174.640 174.973 -0.333 19147 1754 1 7 . 1 1 51 51 ASN CA C 51 54.190 54.190 54.590 -0.400 19147 1755 1 7 . 1 1 51 51 ASN CB C 51 38.421 38.421 38.819 -0.398 19147 1756 1 7 . 1 1 51 51 ASN H H 51 8.453 8.453 8.765 -0.312 19147 1757 1 7 . 1 1 52 52 TYR N N 52 123.645 123.645 125.926 -2.281 19147 1758 1 7 . 1 1 52 52 TYR HA H 52 3.628 3.628 4.275 -0.647 19147 1759 1 7 . 1 1 52 52 TYR C C 52 173.953 173.953 177.036 -3.083 19147 1760 1 7 . 1 1 52 52 TYR CA C 52 61.742 61.742 59.741 2.001 19147 1761 1 7 . 1 1 52 52 TYR CB C 52 37.030 37.030 39.545 -2.515 19147 1762 1 7 . 1 1 52 52 TYR H H 52 8.903 8.903 8.504 0.399 19147 1763 1 7 . 1 1 53 53 HIS N N 53 123.135 123.135 122.184 0.951 19147 1764 1 7 . 1 1 53 53 HIS HA H 53 4.673 4.673 4.215 0.458 19147 1765 1 7 . 1 1 53 53 HIS C C 53 173.360 173.360 176.534 -3.174 19147 1766 1 7 . 1 1 53 53 HIS CA C 53 51.116 51.116 60.060 -8.944 19147 1767 1 7 . 1 1 53 53 HIS CB C 53 29.297 29.297 29.238 0.059 19147 1768 1 7 . 1 1 53 53 HIS H H 53 5.918 5.918 8.169 -2.251 19147 1769 1 7 . 1 1 54 54 THR N N 54 110.786 110.786 110.208 0.578 19147 1770 1 7 . 1 1 54 54 THR HA H 54 3.786 3.786 4.221 -0.435 19147 1771 1 7 . 1 1 54 54 THR C C 54 175.778 175.778 176.277 -0.499 19147 1772 1 7 . 1 1 54 54 THR CA C 54 62.088 62.088 64.915 -2.827 19147 1773 1 7 . 1 1 54 54 THR CB C 54 68.634 68.634 68.646 -0.012 19147 1774 1 7 . 1 1 54 54 THR H H 54 7.632 7.632 8.365 -0.733 19147 1775 1 7 . 1 1 55 55 THR N N 55 113.157 113.157 117.709 -4.552 19147 1776 1 7 . 1 1 55 55 THR HA H 55 4.656 4.656 4.212 0.444 19147 1777 1 7 . 1 1 55 55 THR C C 55 175.209 175.209 175.105 0.104 19147 1778 1 7 . 1 1 55 55 THR CA C 55 60.909 60.909 65.964 -5.055 19147 1779 1 7 . 1 1 55 55 THR CB C 55 68.720 68.720 69.227 -0.507 19147 1780 1 7 . 1 1 55 55 THR H H 55 7.746 7.746 8.433 -0.687 19147 1781 1 7 . 1 1 56 56 LYS N N 56 122.548 122.548 118.019 4.529 19147 1782 1 7 . 1 1 56 56 LYS HA H 56 4.247 4.247 4.657 -0.410 19147 1783 1 7 . 1 1 56 56 LYS C C 56 176.726 176.726 174.288 2.438 19147 1784 1 7 . 1 1 56 56 LYS CA C 56 56.714 56.714 54.743 1.971 19147 1785 1 7 . 1 1 56 56 LYS CB C 56 32.279 32.279 36.142 -3.863 19147 1786 1 7 . 1 1 56 56 LYS H H 56 8.344 8.344 8.388 -0.044 19147 1787 1 7 . 1 1 57 57 ASP N N 57 119.260 119.260 119.942 -0.682 19147 1788 1 7 . 1 1 57 57 ASP HA H 57 4.684 4.684 4.392 0.292 19147 1789 1 7 . 1 1 57 57 ASP C C 57 176.323 176.323 176.060 0.263 19147 1790 1 7 . 1 1 57 57 ASP CA C 57 53.331 53.331 54.777 -1.446 19147 1791 1 7 . 1 1 57 57 ASP CB C 57 41.168 41.168 40.495 0.673 19147 1792 1 7 . 1 1 57 57 ASP H H 57 8.201 8.201 8.404 -0.203 19147 1793 1 8 . 1 1 14 14 LEU N N 14 123.914 123.914 122.852 1.062 19147 1794 1 8 . 1 1 14 14 LEU HA H 14 4.914 4.914 4.507 0.407 19147 1795 1 8 . 1 1 14 14 LEU C C 14 176.963 176.963 176.921 0.042 19147 1796 1 8 . 1 1 14 14 LEU CA C 14 54.055 54.055 55.191 -1.136 19147 1797 1 8 . 1 1 14 14 LEU CB C 14 44.013 44.013 42.778 1.235 19147 1798 1 8 . 1 1 14 14 LEU H H 14 8.089 8.089 7.763 0.326 19147 1799 1 8 . 1 1 15 15 LYS N N 15 121.013 121.013 120.010 1.003 19147 1800 1 8 . 1 1 15 15 LYS HA H 15 4.323 4.323 4.530 -0.207 19147 1801 1 8 . 1 1 15 15 LYS C C 15 174.711 174.711 175.632 -0.921 19147 1802 1 8 . 1 1 15 15 LYS CA C 15 53.956 53.956 54.033 -0.077 19147 1803 1 8 . 1 1 15 15 LYS CB C 15 35.171 35.171 34.445 0.726 19147 1804 1 8 . 1 1 15 15 LYS H H 15 8.548 8.548 8.360 0.188 19147 1805 1 8 . 1 1 16 16 ALA N N 16 124.835 124.835 122.516 2.319 19147 1806 1 8 . 1 1 16 16 ALA HA H 16 4.424 4.424 4.792 -0.368 19147 1807 1 8 . 1 1 16 16 ALA C C 16 176.513 176.513 177.093 -0.580 19147 1808 1 8 . 1 1 16 16 ALA CA C 16 50.701 50.701 50.558 0.143 19147 1809 1 8 . 1 1 16 16 ALA CB C 16 19.404 19.404 19.241 0.163 19147 1810 1 8 . 1 1 16 16 ALA H H 16 8.119 8.119 8.358 -0.239 19147 1811 1 8 . 1 1 17 17 CYS N N 17 125.963 125.963 122.520 3.443 19147 1812 1 8 . 1 1 17 17 CYS HA H 17 4.530 4.530 4.254 0.276 19147 1813 1 8 . 1 1 17 17 CYS C C 17 179.428 179.428 177.153 2.275 19147 1814 1 8 . 1 1 17 17 CYS CA C 17 59.687 59.687 60.202 -0.515 19147 1815 1 8 . 1 1 17 17 CYS CB C 17 31.087 31.087 29.745 1.342 19147 1816 1 8 . 1 1 17 17 CYS H H 17 9.517 9.517 8.176 1.341 19147 1817 1 8 . 1 1 18 18 ILE N N 18 124.917 124.917 121.233 3.684 19147 1818 1 8 . 1 1 18 18 ILE HA H 18 4.039 4.039 4.143 -0.104 19147 1819 1 8 . 1 1 18 18 ILE C C 18 175.825 175.825 175.930 -0.105 19147 1820 1 8 . 1 1 18 18 ILE CA C 18 62.353 62.353 62.811 -0.458 19147 1821 1 8 . 1 1 18 18 ILE CB C 18 37.671 37.671 37.649 0.022 19147 1822 1 8 . 1 1 18 18 ILE H H 18 7.244 7.244 8.539 -1.295 19147 1823 1 8 . 1 1 19 19 ARG N N 19 124.247 124.247 121.948 2.299 19147 1824 1 8 . 1 1 19 19 ARG HA H 19 4.235 4.235 4.196 0.039 19147 1825 1 8 . 1 1 19 19 ARG C C 19 177.413 177.413 176.436 0.977 19147 1826 1 8 . 1 1 19 19 ARG CA C 19 57.820 57.820 58.161 -0.341 19147 1827 1 8 . 1 1 19 19 ARG CB C 19 31.496 31.496 30.527 0.969 19147 1828 1 8 . 1 1 19 19 ARG H H 19 9.392 9.392 8.226 1.166 19147 1829 1 8 . 1 1 20 20 CYS N N 20 118.959 118.959 114.702 4.257 19147 1830 1 8 . 1 1 20 20 CYS HA H 20 4.933 4.933 4.836 0.097 19147 1831 1 8 . 1 1 20 20 CYS C C 20 178.409 178.409 173.512 4.897 19147 1832 1 8 . 1 1 20 20 CYS CA C 20 58.663 58.663 57.222 1.441 19147 1833 1 8 . 1 1 20 20 CYS CB C 20 32.067 32.067 29.100 2.967 19147 1834 1 8 . 1 1 20 20 CYS H H 20 8.541 8.541 7.852 0.689 19147 1835 1 8 . 1 1 21 21 ASN N N 21 120.450 120.450 118.926 1.524 19147 1836 1 8 . 1 1 21 21 ASN HA H 21 4.422 4.422 4.497 -0.075 19147 1837 1 8 . 1 1 21 21 ASN C C 21 174.237 174.237 174.256 -0.019 19147 1838 1 8 . 1 1 21 21 ASN CA C 21 55.172 55.172 54.257 0.915 19147 1839 1 8 . 1 1 21 21 ASN CB C 21 38.545 38.545 36.988 1.557 19147 1840 1 8 . 1 1 21 21 ASN H H 21 8.533 8.533 7.931 0.602 19147 1841 1 8 . 1 1 22 22 SER N N 22 119.717 119.717 114.493 5.224 19147 1842 1 8 . 1 1 22 22 SER HA H 22 4.643 4.643 4.608 0.035 19147 1843 1 8 . 1 1 22 22 SER CA C 22 58.269 58.269 57.047 1.222 19147 1844 1 8 . 1 1 22 22 SER CB C 22 61.998 61.998 64.590 -2.591 19147 1845 1 8 . 1 1 22 22 SER H H 22 8.742 8.742 8.143 0.599 19147 1846 1 8 . 1 1 23 23 PRO HA H 23 4.375 4.375 4.752 -0.377 19147 1847 1 8 . 1 1 23 23 PRO CA C 23 64.211 64.211 62.898 1.312 19147 1848 1 8 . 1 1 23 23 PRO CB C 23 31.883 31.883 30.722 1.161 19147 1849 1 8 . 1 1 24 24 ALA N N 24 126.670 126.670 128.630 -1.960 19147 1850 1 8 . 1 1 24 24 ALA HA H 24 4.756 4.756 4.844 -0.088 19147 1851 1 8 . 1 1 24 24 ALA C C 24 176.157 176.157 176.370 -0.213 19147 1852 1 8 . 1 1 24 24 ALA CA C 24 49.817 49.817 50.035 -0.218 19147 1853 1 8 . 1 1 24 24 ALA CB C 24 19.920 19.920 21.588 -1.668 19147 1854 1 8 . 1 1 24 24 ALA H H 24 8.732 8.732 8.260 0.472 19147 1855 1 8 . 1 1 25 25 LYS N N 25 122.456 122.456 127.207 -4.751 19147 1856 1 8 . 1 1 25 25 LYS HA H 25 4.260 4.260 4.070 0.190 19147 1857 1 8 . 1 1 25 25 LYS C C 25 175.612 175.612 175.234 0.378 19147 1858 1 8 . 1 1 25 25 LYS CA C 25 56.269 56.269 55.627 0.642 19147 1859 1 8 . 1 1 25 25 LYS CB C 25 32.912 32.912 32.040 0.872 19147 1860 1 8 . 1 1 25 25 LYS H H 25 8.045 8.045 8.332 -0.287 19147 1861 1 8 . 1 1 26 26 TYR N N 26 128.452 128.452 130.055 -1.603 19147 1862 1 8 . 1 1 26 26 TYR HA H 26 5.275 5.275 4.795 0.480 19147 1863 1 8 . 1 1 26 26 TYR C C 26 173.550 173.550 175.379 -1.829 19147 1864 1 8 . 1 1 26 26 TYR CA C 26 54.572 54.572 56.647 -2.075 19147 1865 1 8 . 1 1 26 26 TYR CB C 26 40.463 40.463 39.257 1.206 19147 1866 1 8 . 1 1 26 26 TYR H H 26 8.734 8.734 8.220 0.514 19147 1867 1 8 . 1 1 27 27 ASP N N 27 129.563 129.563 129.627 -0.064 19147 1868 1 8 . 1 1 27 27 ASP HA H 27 4.525 4.525 4.738 -0.213 19147 1869 1 8 . 1 1 27 27 ASP C C 27 175.920 175.920 176.053 -0.133 19147 1870 1 8 . 1 1 27 27 ASP CA C 27 51.470 51.470 52.283 -0.813 19147 1871 1 8 . 1 1 27 27 ASP CB C 27 42.426 42.426 41.571 0.855 19147 1872 1 8 . 1 1 27 27 ASP H H 27 8.714 8.714 9.120 -0.406 19147 1873 1 8 . 1 1 28 28 CYS N N 28 122.534 122.534 123.741 -1.207 19147 1874 1 8 . 1 1 28 28 CYS HA H 28 3.753 3.753 4.051 -0.298 19147 1875 1 8 . 1 1 28 28 CYS C C 28 175.043 175.043 175.241 -0.198 19147 1876 1 8 . 1 1 28 28 CYS CA C 28 58.504 58.504 59.976 -1.472 19147 1877 1 8 . 1 1 28 28 CYS CB C 28 26.501 26.501 26.837 -0.336 19147 1878 1 8 . 1 1 28 28 CYS H H 28 8.226 8.226 8.144 0.082 19147 1879 1 8 . 1 1 29 29 TYR N N 29 123.853 123.853 120.016 3.837 19147 1880 1 8 . 1 1 29 29 TYR HA H 29 4.319 4.319 4.227 0.092 19147 1881 1 8 . 1 1 29 29 TYR C C 29 177.722 177.722 176.135 1.587 19147 1882 1 8 . 1 1 29 29 TYR CA C 29 59.695 59.695 60.582 -0.887 19147 1883 1 8 . 1 1 29 29 TYR CB C 29 37.305 37.305 38.601 -1.296 19147 1884 1 8 . 1 1 29 29 TYR H H 29 8.206 8.206 7.737 0.470 19147 1885 1 8 . 1 1 30 30 LEU N N 30 117.184 117.184 115.466 1.718 19147 1886 1 8 . 1 1 30 30 LEU HA H 30 4.068 4.068 4.637 -0.569 19147 1887 1 8 . 1 1 30 30 LEU C C 30 177.058 177.058 175.761 1.297 19147 1888 1 8 . 1 1 30 30 LEU CA C 30 53.970 53.970 54.111 -0.141 19147 1889 1 8 . 1 1 30 30 LEU CB C 30 42.216 42.216 42.579 -0.363 19147 1890 1 8 . 1 1 30 30 LEU H H 30 7.681 7.681 7.601 0.080 19147 1891 1 8 . 1 1 31 31 GLN N N 31 115.267 115.267 115.209 0.058 19147 1892 1 8 . 1 1 31 31 GLN HA H 31 3.551 3.551 4.109 -0.558 19147 1893 1 8 . 1 1 31 31 GLN C C 31 173.739 173.739 174.774 -1.035 19147 1894 1 8 . 1 1 31 31 GLN CA C 31 57.133 57.133 57.325 -0.192 19147 1895 1 8 . 1 1 31 31 GLN CB C 31 25.119 25.119 26.292 -1.173 19147 1896 1 8 . 1 1 31 31 GLN H H 31 7.740 7.740 7.947 -0.207 19147 1897 1 8 . 1 1 32 32 ARG N N 32 120.485 120.485 114.790 5.695 19147 1898 1 8 . 1 1 32 32 ARG HA H 32 5.053 5.053 5.175 -0.122 19147 1899 1 8 . 1 1 32 32 ARG C C 32 173.384 173.384 173.914 -0.530 19147 1900 1 8 . 1 1 32 32 ARG CA C 32 52.928 52.928 53.518 -0.590 19147 1901 1 8 . 1 1 32 32 ARG CB C 32 36.499 36.499 34.065 2.434 19147 1902 1 8 . 1 1 32 32 ARG H H 32 7.213 7.213 7.807 -0.594 19147 1903 1 8 . 1 1 33 33 ALA N N 33 130.237 130.237 122.547 7.690 19147 1904 1 8 . 1 1 33 33 ALA HA H 33 5.295 5.295 5.292 0.003 19147 1905 1 8 . 1 1 33 33 ALA C C 33 174.522 174.522 175.267 -0.745 19147 1906 1 8 . 1 1 33 33 ALA CA C 33 49.099 49.099 50.238 -1.139 19147 1907 1 8 . 1 1 33 33 ALA CB C 33 20.309 20.309 22.164 -1.855 19147 1908 1 8 . 1 1 33 33 ALA H H 33 8.763 8.763 8.654 0.109 19147 1909 1 8 . 1 1 34 34 THR N N 34 114.351 114.351 117.627 -3.276 19147 1910 1 8 . 1 1 34 34 THR HA H 34 4.904 4.904 4.776 0.128 19147 1911 1 8 . 1 1 34 34 THR C C 34 173.597 173.597 174.553 -0.956 19147 1912 1 8 . 1 1 34 34 THR CA C 34 60.450 60.450 60.542 -0.092 19147 1913 1 8 . 1 1 34 34 THR CB C 34 70.553 70.553 69.390 1.163 19147 1914 1 8 . 1 1 34 34 THR H H 34 8.269 8.269 8.130 0.139 19147 1915 1 8 . 1 1 35 35 CYS N N 35 133.180 133.180 127.133 6.047 19147 1916 1 8 . 1 1 35 35 CYS HA H 35 3.909 3.909 4.169 -0.260 19147 1917 1 8 . 1 1 35 35 CYS C C 35 175.825 175.825 174.390 1.435 19147 1918 1 8 . 1 1 35 35 CYS CA C 35 61.216 61.216 59.927 1.289 19147 1919 1 8 . 1 1 35 35 CYS CB C 35 31.563 31.563 27.756 3.807 19147 1920 1 8 . 1 1 35 35 CYS H H 35 9.133 9.133 8.406 0.727 19147 1921 1 8 . 1 1 36 36 LYS N N 36 125.753 125.753 129.582 -3.829 19147 1922 1 8 . 1 1 36 36 LYS HA H 36 4.324 4.324 4.352 -0.028 19147 1923 1 8 . 1 1 36 36 LYS C C 36 176.323 176.323 175.408 0.915 19147 1924 1 8 . 1 1 36 36 LYS CA C 36 55.921 55.921 54.918 1.003 19147 1925 1 8 . 1 1 36 36 LYS CB C 36 32.422 32.422 30.955 1.467 19147 1926 1 8 . 1 1 36 36 LYS H H 36 8.343 8.343 8.105 0.238 19147 1927 1 8 . 1 1 37 37 ARG N N 37 127.726 127.726 120.782 6.944 19147 1928 1 8 . 1 1 37 37 ARG HA H 37 4.133 4.133 4.489 -0.356 19147 1929 1 8 . 1 1 37 37 ARG C C 37 177.650 177.650 176.455 1.195 19147 1930 1 8 . 1 1 37 37 ARG CA C 37 56.595 56.595 55.141 1.454 19147 1931 1 8 . 1 1 37 37 ARG CB C 37 30.759 30.759 31.997 -1.238 19147 1932 1 8 . 1 1 37 37 ARG H H 37 9.381 9.381 7.365 2.016 19147 1933 1 8 . 1 1 38 38 GLU N N 38 131.710 131.710 125.673 6.037 19147 1934 1 8 . 1 1 38 38 GLU HA H 38 3.933 3.933 4.259 -0.326 19147 1935 1 8 . 1 1 38 38 GLU C C 38 177.342 177.342 176.206 1.136 19147 1936 1 8 . 1 1 38 38 GLU CA C 38 58.288 58.288 56.991 1.297 19147 1937 1 8 . 1 1 38 38 GLU CB C 38 28.628 28.628 28.098 0.530 19147 1938 1 8 . 1 1 38 38 GLU H H 38 9.079 9.079 8.958 0.121 19147 1939 1 8 . 1 1 39 39 GLY N N 39 112.546 112.546 108.548 3.998 19147 1940 1 8 . 1 1 39 39 GLY C C 39 173.431 173.431 174.848 -1.417 19147 1941 1 8 . 1 1 39 39 GLY CA C 39 44.725 44.725 45.568 -0.843 19147 1942 1 8 . 1 1 39 39 GLY H H 39 8.693 8.693 8.619 0.074 19147 1943 1 8 . 1 1 40 40 CYS N N 40 123.383 123.383 120.097 3.286 19147 1944 1 8 . 1 1 40 40 CYS HA H 40 4.492 4.492 4.608 -0.116 19147 1945 1 8 . 1 1 40 40 CYS C C 40 175.659 175.659 175.904 -0.245 19147 1946 1 8 . 1 1 40 40 CYS CA C 40 59.558 59.558 60.116 -0.558 19147 1947 1 8 . 1 1 40 40 CYS CB C 40 30.181 30.181 29.427 0.754 19147 1948 1 8 . 1 1 40 40 CYS H H 40 7.838 7.838 7.770 0.068 19147 1949 1 8 . 1 1 41 41 GLY N N 41 108.697 108.697 109.831 -1.134 19147 1950 1 8 . 1 1 41 41 GLY C C 41 174.261 174.261 173.557 0.704 19147 1951 1 8 . 1 1 41 41 GLY CA C 41 46.283 46.283 46.276 0.007 19147 1952 1 8 . 1 1 41 41 GLY H H 41 8.109 8.109 8.308 -0.199 19147 1953 1 8 . 1 1 42 42 PHE N N 42 124.198 124.198 117.312 6.886 19147 1954 1 8 . 1 1 42 42 PHE HA H 42 4.579 4.579 4.920 -0.341 19147 1955 1 8 . 1 1 42 42 PHE C C 42 172.886 172.886 173.740 -0.854 19147 1956 1 8 . 1 1 42 42 PHE CA C 42 58.164 58.164 54.158 4.006 19147 1957 1 8 . 1 1 42 42 PHE CB C 42 38.872 38.872 41.320 -2.448 19147 1958 1 8 . 1 1 42 42 PHE H H 42 8.140 8.140 7.494 0.646 19147 1959 1 8 . 1 1 43 43 ASP N N 43 129.158 129.158 121.244 7.914 19147 1960 1 8 . 1 1 43 43 ASP HA H 43 5.377 5.377 4.802 0.575 19147 1961 1 8 . 1 1 43 43 ASP C C 43 175.493 175.493 175.215 0.278 19147 1962 1 8 . 1 1 43 43 ASP CA C 43 51.991 51.991 53.318 -1.327 19147 1963 1 8 . 1 1 43 43 ASP CB C 43 42.089 42.089 42.429 -0.340 19147 1964 1 8 . 1 1 43 43 ASP H H 43 7.830 7.830 8.565 -0.735 19147 1965 1 8 . 1 1 44 44 TYR N N 44 121.015 121.015 116.364 4.651 19147 1966 1 8 . 1 1 44 44 TYR HA H 44 5.072 5.072 5.124 -0.052 19147 1967 1 8 . 1 1 44 44 TYR C C 44 173.882 173.882 173.824 0.058 19147 1968 1 8 . 1 1 44 44 TYR CA C 44 54.551 54.551 56.476 -1.925 19147 1969 1 8 . 1 1 44 44 TYR CB C 44 41.061 41.061 39.576 1.485 19147 1970 1 8 . 1 1 44 44 TYR H H 44 9.264 9.264 7.759 1.505 19147 1971 1 8 . 1 1 45 45 CYS N N 45 121.008 121.008 122.825 -1.817 19147 1972 1 8 . 1 1 45 45 CYS HA H 45 5.157 5.157 4.766 0.391 19147 1973 1 8 . 1 1 45 45 CYS C C 45 178.385 178.385 175.846 2.539 19147 1974 1 8 . 1 1 45 45 CYS CA C 45 56.934 56.934 60.803 -3.869 19147 1975 1 8 . 1 1 45 45 CYS CB C 45 31.953 31.953 29.719 2.234 19147 1976 1 8 . 1 1 45 45 CYS H H 45 8.420 8.420 9.120 -0.700 19147 1977 1 8 . 1 1 46 46 THR N N 46 120.657 120.657 121.573 -0.916 19147 1978 1 8 . 1 1 46 46 THR HA H 46 4.090 4.090 4.249 -0.159 19147 1979 1 8 . 1 1 46 46 THR C C 46 174.593 174.593 175.214 -0.621 19147 1980 1 8 . 1 1 46 46 THR CA C 46 64.084 64.084 62.973 1.111 19147 1981 1 8 . 1 1 46 46 THR CB C 46 66.577 66.577 68.571 -1.994 19147 1982 1 8 . 1 1 46 46 THR H H 46 8.518 8.518 8.803 -0.285 19147 1983 1 8 . 1 1 47 47 LYS N N 47 124.516 124.516 120.122 4.394 19147 1984 1 8 . 1 1 47 47 LYS HA H 47 4.377 4.377 4.251 0.126 19147 1985 1 8 . 1 1 47 47 LYS C C 47 177.319 177.319 177.094 0.225 19147 1986 1 8 . 1 1 47 47 LYS CA C 47 58.163 58.163 58.928 -0.765 19147 1987 1 8 . 1 1 47 47 LYS CB C 47 32.753 32.753 32.558 0.195 19147 1988 1 8 . 1 1 47 47 LYS H H 47 9.452 9.452 8.542 0.910 19147 1989 1 8 . 1 1 48 48 CYS N N 48 116.543 116.543 115.001 1.542 19147 1990 1 8 . 1 1 48 48 CYS HA H 48 4.817 4.817 4.831 -0.014 19147 1991 1 8 . 1 1 48 48 CYS C C 48 175.920 175.920 175.316 0.604 19147 1992 1 8 . 1 1 48 48 CYS CA C 48 57.997 57.997 57.550 0.447 19147 1993 1 8 . 1 1 48 48 CYS CB C 48 32.109 32.109 29.313 2.796 19147 1994 1 8 . 1 1 48 48 CYS H H 48 8.244 8.244 7.928 0.316 19147 1995 1 8 . 1 1 49 49 LEU N N 49 118.590 118.590 122.219 -3.629 19147 1996 1 8 . 1 1 49 49 LEU HA H 49 4.247 4.247 4.364 -0.117 19147 1997 1 8 . 1 1 49 49 LEU C C 49 176.916 176.916 176.212 0.704 19147 1998 1 8 . 1 1 49 49 LEU CA C 49 56.333 56.333 56.078 0.255 19147 1999 1 8 . 1 1 49 49 LEU CB C 49 36.861 36.861 39.170 -2.309 19147 2000 1 8 . 1 1 49 49 LEU H H 49 8.181 8.181 8.115 0.066 19147 2001 1 8 . 1 1 50 50 CYS N N 50 115.484 115.484 116.636 -1.152 19147 2002 1 8 . 1 1 50 50 CYS HA H 50 4.938 4.938 4.739 0.199 19147 2003 1 8 . 1 1 50 50 CYS C C 50 173.194 173.194 174.020 -0.826 19147 2004 1 8 . 1 1 50 50 CYS CA C 50 57.589 57.589 56.825 0.764 19147 2005 1 8 . 1 1 50 50 CYS CB C 50 30.662 30.662 32.365 -1.703 19147 2006 1 8 . 1 1 50 50 CYS H H 50 8.001 8.001 7.899 0.102 19147 2007 1 8 . 1 1 51 51 ASN N N 51 116.975 116.975 119.586 -2.611 19147 2008 1 8 . 1 1 51 51 ASN HA H 51 4.427 4.427 4.704 -0.277 19147 2009 1 8 . 1 1 51 51 ASN C C 51 174.640 174.640 175.229 -0.589 19147 2010 1 8 . 1 1 51 51 ASN CA C 51 54.190 54.190 54.461 -0.271 19147 2011 1 8 . 1 1 51 51 ASN CB C 51 38.421 38.421 38.591 -0.170 19147 2012 1 8 . 1 1 51 51 ASN H H 51 8.453 8.453 8.868 -0.415 19147 2013 1 8 . 1 1 52 52 TYR N N 52 123.645 123.645 124.458 -0.813 19147 2014 1 8 . 1 1 52 52 TYR HA H 52 3.628 3.628 4.230 -0.602 19147 2015 1 8 . 1 1 52 52 TYR C C 52 173.953 173.953 177.018 -3.065 19147 2016 1 8 . 1 1 52 52 TYR CA C 52 61.742 61.742 59.856 1.886 19147 2017 1 8 . 1 1 52 52 TYR CB C 52 37.030 37.030 39.768 -2.738 19147 2018 1 8 . 1 1 52 52 TYR H H 52 8.903 8.903 7.897 1.006 19147 2019 1 8 . 1 1 53 53 HIS N N 53 123.135 123.135 117.835 5.300 19147 2020 1 8 . 1 1 53 53 HIS HA H 53 4.673 4.673 4.763 -0.090 19147 2021 1 8 . 1 1 53 53 HIS C C 53 173.360 173.360 176.066 -2.706 19147 2022 1 8 . 1 1 53 53 HIS CA C 53 51.116 51.116 57.520 -6.404 19147 2023 1 8 . 1 1 53 53 HIS CB C 53 29.297 29.297 29.543 -0.246 19147 2024 1 8 . 1 1 53 53 HIS H H 53 5.918 5.918 8.108 -2.190 19147 2025 1 8 . 1 1 54 54 THR N N 54 110.786 110.786 112.493 -1.707 19147 2026 1 8 . 1 1 54 54 THR HA H 54 3.786 3.786 4.258 -0.472 19147 2027 1 8 . 1 1 54 54 THR C C 54 175.778 175.778 176.542 -0.764 19147 2028 1 8 . 1 1 54 54 THR CA C 54 62.088 62.088 64.713 -2.625 19147 2029 1 8 . 1 1 54 54 THR CB C 54 68.634 68.634 69.122 -0.488 19147 2030 1 8 . 1 1 54 54 THR H H 54 7.632 7.632 8.196 -0.564 19147 2031 1 8 . 1 1 55 55 THR N N 55 113.157 113.157 115.078 -1.921 19147 2032 1 8 . 1 1 55 55 THR HA H 55 4.656 4.656 4.128 0.528 19147 2033 1 8 . 1 1 55 55 THR C C 55 175.209 175.209 174.878 0.331 19147 2034 1 8 . 1 1 55 55 THR CA C 55 60.909 60.909 64.505 -3.596 19147 2035 1 8 . 1 1 55 55 THR CB C 55 68.720 68.720 69.061 -0.341 19147 2036 1 8 . 1 1 55 55 THR H H 55 7.746 7.746 8.432 -0.686 19147 2037 1 8 . 1 1 56 56 LYS N N 56 122.548 122.548 117.328 5.220 19147 2038 1 8 . 1 1 56 56 LYS HA H 56 4.247 4.247 4.496 -0.249 19147 2039 1 8 . 1 1 56 56 LYS C C 56 176.726 176.726 174.049 2.677 19147 2040 1 8 . 1 1 56 56 LYS CA C 56 56.714 56.714 55.552 1.162 19147 2041 1 8 . 1 1 56 56 LYS CB C 56 32.279 32.279 34.056 -1.777 19147 2042 1 8 . 1 1 56 56 LYS H H 56 8.344 8.344 7.552 0.792 19147 2043 1 8 . 1 1 57 57 ASP N N 57 119.260 119.260 120.912 -1.652 19147 2044 1 8 . 1 1 57 57 ASP HA H 57 4.684 4.684 4.455 0.229 19147 2045 1 8 . 1 1 57 57 ASP C C 57 176.323 176.323 176.599 -0.276 19147 2046 1 8 . 1 1 57 57 ASP CA C 57 53.331 53.331 55.662 -2.331 19147 2047 1 8 . 1 1 57 57 ASP CB C 57 41.168 41.168 40.318 0.850 19147 2048 1 8 . 1 1 57 57 ASP H H 57 8.201 8.201 8.470 -0.269 19147 2049 1 9 . 1 1 14 14 LEU N N 14 123.914 123.914 123.415 0.499 19147 2050 1 9 . 1 1 14 14 LEU HA H 14 4.914 4.914 4.584 0.330 19147 2051 1 9 . 1 1 14 14 LEU C C 14 176.963 176.963 176.738 0.225 19147 2052 1 9 . 1 1 14 14 LEU CA C 14 54.055 54.055 54.289 -0.234 19147 2053 1 9 . 1 1 14 14 LEU CB C 14 44.013 44.013 42.521 1.492 19147 2054 1 9 . 1 1 14 14 LEU H H 14 8.089 8.089 7.742 0.347 19147 2055 1 9 . 1 1 15 15 LYS N N 15 121.013 121.013 122.855 -1.842 19147 2056 1 9 . 1 1 15 15 LYS HA H 15 4.323 4.323 4.365 -0.042 19147 2057 1 9 . 1 1 15 15 LYS C C 15 174.711 174.711 175.559 -0.848 19147 2058 1 9 . 1 1 15 15 LYS CA C 15 53.956 53.956 54.942 -0.986 19147 2059 1 9 . 1 1 15 15 LYS CB C 15 35.171 35.171 33.859 1.312 19147 2060 1 9 . 1 1 15 15 LYS H H 15 8.548 8.548 8.697 -0.149 19147 2061 1 9 . 1 1 16 16 ALA N N 16 124.835 124.835 129.701 -4.866 19147 2062 1 9 . 1 1 16 16 ALA HA H 16 4.424 4.424 4.519 -0.095 19147 2063 1 9 . 1 1 16 16 ALA C C 16 176.513 176.513 177.537 -1.024 19147 2064 1 9 . 1 1 16 16 ALA CA C 16 50.701 50.701 51.695 -0.994 19147 2065 1 9 . 1 1 16 16 ALA CB C 16 19.404 19.404 19.036 0.368 19147 2066 1 9 . 1 1 16 16 ALA H H 16 8.119 8.119 8.447 -0.328 19147 2067 1 9 . 1 1 17 17 CYS N N 17 125.963 125.963 122.924 3.039 19147 2068 1 9 . 1 1 17 17 CYS HA H 17 4.530 4.530 4.357 0.173 19147 2069 1 9 . 1 1 17 17 CYS C C 17 179.428 179.428 177.242 2.186 19147 2070 1 9 . 1 1 17 17 CYS CA C 17 59.687 59.687 58.767 0.920 19147 2071 1 9 . 1 1 17 17 CYS CB C 17 31.087 31.087 29.617 1.470 19147 2072 1 9 . 1 1 17 17 CYS H H 17 9.517 9.517 8.109 1.408 19147 2073 1 9 . 1 1 18 18 ILE N N 18 124.917 124.917 121.730 3.187 19147 2074 1 9 . 1 1 18 18 ILE HA H 18 4.039 4.039 4.194 -0.155 19147 2075 1 9 . 1 1 18 18 ILE C C 18 175.825 175.825 175.827 -0.002 19147 2076 1 9 . 1 1 18 18 ILE CA C 18 62.353 62.353 62.894 -0.541 19147 2077 1 9 . 1 1 18 18 ILE CB C 18 37.671 37.671 37.406 0.265 19147 2078 1 9 . 1 1 18 18 ILE H H 18 7.244 7.244 8.521 -1.277 19147 2079 1 9 . 1 1 19 19 ARG N N 19 124.247 124.247 123.322 0.925 19147 2080 1 9 . 1 1 19 19 ARG HA H 19 4.235 4.235 4.254 -0.019 19147 2081 1 9 . 1 1 19 19 ARG C C 19 177.413 177.413 176.744 0.669 19147 2082 1 9 . 1 1 19 19 ARG CA C 19 57.820 57.820 58.387 -0.567 19147 2083 1 9 . 1 1 19 19 ARG CB C 19 31.496 31.496 30.671 0.825 19147 2084 1 9 . 1 1 19 19 ARG H H 19 9.392 9.392 8.115 1.277 19147 2085 1 9 . 1 1 20 20 CYS N N 20 118.959 118.959 115.374 3.585 19147 2086 1 9 . 1 1 20 20 CYS HA H 20 4.933 4.933 4.894 0.039 19147 2087 1 9 . 1 1 20 20 CYS C C 20 178.409 178.409 173.590 4.819 19147 2088 1 9 . 1 1 20 20 CYS CA C 20 58.663 58.663 57.185 1.478 19147 2089 1 9 . 1 1 20 20 CYS CB C 20 32.067 32.067 29.173 2.894 19147 2090 1 9 . 1 1 20 20 CYS H H 20 8.541 8.541 8.010 0.531 19147 2091 1 9 . 1 1 21 21 ASN N N 21 120.450 120.450 119.669 0.781 19147 2092 1 9 . 1 1 21 21 ASN HA H 21 4.422 4.422 4.492 -0.070 19147 2093 1 9 . 1 1 21 21 ASN C C 21 174.237 174.237 174.306 -0.069 19147 2094 1 9 . 1 1 21 21 ASN CA C 21 55.172 55.172 53.923 1.249 19147 2095 1 9 . 1 1 21 21 ASN CB C 21 38.545 38.545 37.388 1.157 19147 2096 1 9 . 1 1 21 21 ASN H H 21 8.533 8.533 8.044 0.489 19147 2097 1 9 . 1 1 22 22 SER N N 22 119.717 119.717 114.637 5.080 19147 2098 1 9 . 1 1 22 22 SER HA H 22 4.643 4.643 4.795 -0.152 19147 2099 1 9 . 1 1 22 22 SER CA C 22 58.269 58.269 55.634 2.635 19147 2100 1 9 . 1 1 22 22 SER CB C 22 61.998 61.998 65.373 -3.375 19147 2101 1 9 . 1 1 22 22 SER H H 22 8.742 8.742 7.999 0.743 19147 2102 1 9 . 1 1 23 23 PRO HA H 23 4.375 4.375 4.433 -0.058 19147 2103 1 9 . 1 1 23 23 PRO CA C 23 64.211 64.211 62.754 1.457 19147 2104 1 9 . 1 1 23 23 PRO CB C 23 31.883 31.883 30.329 1.554 19147 2105 1 9 . 1 1 24 24 ALA N N 24 126.670 126.670 128.532 -1.862 19147 2106 1 9 . 1 1 24 24 ALA HA H 24 4.756 4.756 4.644 0.112 19147 2107 1 9 . 1 1 24 24 ALA C C 24 176.157 176.157 176.405 -0.248 19147 2108 1 9 . 1 1 24 24 ALA CA C 24 49.817 49.817 50.413 -0.596 19147 2109 1 9 . 1 1 24 24 ALA CB C 24 19.920 19.920 21.209 -1.289 19147 2110 1 9 . 1 1 24 24 ALA H H 24 8.732 8.732 8.852 -0.120 19147 2111 1 9 . 1 1 25 25 LYS N N 25 122.456 122.456 127.141 -4.685 19147 2112 1 9 . 1 1 25 25 LYS HA H 25 4.260 4.260 4.119 0.141 19147 2113 1 9 . 1 1 25 25 LYS C C 25 175.612 175.612 175.329 0.283 19147 2114 1 9 . 1 1 25 25 LYS CA C 25 56.269 56.269 55.229 1.040 19147 2115 1 9 . 1 1 25 25 LYS CB C 25 32.912 32.912 31.764 1.148 19147 2116 1 9 . 1 1 25 25 LYS H H 25 8.045 8.045 8.339 -0.294 19147 2117 1 9 . 1 1 26 26 TYR N N 26 128.452 128.452 129.577 -1.125 19147 2118 1 9 . 1 1 26 26 TYR HA H 26 5.275 5.275 4.741 0.534 19147 2119 1 9 . 1 1 26 26 TYR C C 26 173.550 173.550 175.469 -1.919 19147 2120 1 9 . 1 1 26 26 TYR CA C 26 54.572 54.572 58.143 -3.571 19147 2121 1 9 . 1 1 26 26 TYR CB C 26 40.463 40.463 39.777 0.686 19147 2122 1 9 . 1 1 26 26 TYR H H 26 8.734 8.734 8.067 0.667 19147 2123 1 9 . 1 1 27 27 ASP N N 27 129.563 129.563 127.015 2.548 19147 2124 1 9 . 1 1 27 27 ASP HA H 27 4.525 4.525 4.624 -0.099 19147 2125 1 9 . 1 1 27 27 ASP C C 27 175.920 175.920 175.468 0.452 19147 2126 1 9 . 1 1 27 27 ASP CA C 27 51.470 51.470 53.110 -1.640 19147 2127 1 9 . 1 1 27 27 ASP CB C 27 42.426 42.426 42.047 0.379 19147 2128 1 9 . 1 1 27 27 ASP H H 27 8.714 8.714 8.395 0.319 19147 2129 1 9 . 1 1 28 28 CYS N N 28 122.534 122.534 123.591 -1.057 19147 2130 1 9 . 1 1 28 28 CYS HA H 28 3.753 3.753 4.033 -0.280 19147 2131 1 9 . 1 1 28 28 CYS C C 28 175.043 175.043 175.645 -0.602 19147 2132 1 9 . 1 1 28 28 CYS CA C 28 58.504 58.504 60.168 -1.664 19147 2133 1 9 . 1 1 28 28 CYS CB C 28 26.501 26.501 27.229 -0.728 19147 2134 1 9 . 1 1 28 28 CYS H H 28 8.226 8.226 8.432 -0.206 19147 2135 1 9 . 1 1 29 29 TYR N N 29 123.853 123.853 118.908 4.945 19147 2136 1 9 . 1 1 29 29 TYR HA H 29 4.319 4.319 4.175 0.144 19147 2137 1 9 . 1 1 29 29 TYR C C 29 177.722 177.722 176.374 1.348 19147 2138 1 9 . 1 1 29 29 TYR CA C 29 59.695 59.695 60.995 -1.300 19147 2139 1 9 . 1 1 29 29 TYR CB C 29 37.305 37.305 38.748 -1.442 19147 2140 1 9 . 1 1 29 29 TYR H H 29 8.206 8.206 7.937 0.269 19147 2141 1 9 . 1 1 30 30 LEU N N 30 117.184 117.184 114.971 2.213 19147 2142 1 9 . 1 1 30 30 LEU HA H 30 4.068 4.068 4.612 -0.544 19147 2143 1 9 . 1 1 30 30 LEU C C 30 177.058 177.058 175.575 1.483 19147 2144 1 9 . 1 1 30 30 LEU CA C 30 53.970 53.970 54.232 -0.262 19147 2145 1 9 . 1 1 30 30 LEU CB C 30 42.216 42.216 42.880 -0.664 19147 2146 1 9 . 1 1 30 30 LEU H H 30 7.681 7.681 7.530 0.151 19147 2147 1 9 . 1 1 31 31 GLN N N 31 115.267 115.267 116.208 -0.941 19147 2148 1 9 . 1 1 31 31 GLN HA H 31 3.551 3.551 4.151 -0.600 19147 2149 1 9 . 1 1 31 31 GLN C C 31 173.739 173.739 174.975 -1.236 19147 2150 1 9 . 1 1 31 31 GLN CA C 31 57.133 57.133 57.325 -0.192 19147 2151 1 9 . 1 1 31 31 GLN CB C 31 25.119 25.119 26.089 -0.970 19147 2152 1 9 . 1 1 31 31 GLN H H 31 7.740 7.740 7.884 -0.144 19147 2153 1 9 . 1 1 32 32 ARG N N 32 120.485 120.485 115.564 4.921 19147 2154 1 9 . 1 1 32 32 ARG HA H 32 5.053 5.053 4.963 0.090 19147 2155 1 9 . 1 1 32 32 ARG C C 32 173.384 173.384 173.717 -0.333 19147 2156 1 9 . 1 1 32 32 ARG CA C 32 52.928 52.928 53.833 -0.905 19147 2157 1 9 . 1 1 32 32 ARG CB C 32 36.499 36.499 34.179 2.320 19147 2158 1 9 . 1 1 32 32 ARG H H 32 7.213 7.213 7.750 -0.537 19147 2159 1 9 . 1 1 33 33 ALA N N 33 130.237 130.237 122.861 7.376 19147 2160 1 9 . 1 1 33 33 ALA HA H 33 5.295 5.295 4.963 0.332 19147 2161 1 9 . 1 1 33 33 ALA C C 33 174.522 174.522 175.149 -0.627 19147 2162 1 9 . 1 1 33 33 ALA CA C 33 49.099 49.099 50.213 -1.114 19147 2163 1 9 . 1 1 33 33 ALA CB C 33 20.309 20.309 22.228 -1.919 19147 2164 1 9 . 1 1 33 33 ALA H H 33 8.763 8.763 8.798 -0.035 19147 2165 1 9 . 1 1 34 34 THR N N 34 114.351 114.351 117.412 -3.061 19147 2166 1 9 . 1 1 34 34 THR HA H 34 4.904 4.904 4.798 0.106 19147 2167 1 9 . 1 1 34 34 THR C C 34 173.597 173.597 174.333 -0.736 19147 2168 1 9 . 1 1 34 34 THR CA C 34 60.450 60.450 60.086 0.364 19147 2169 1 9 . 1 1 34 34 THR CB C 34 70.553 70.553 69.450 1.103 19147 2170 1 9 . 1 1 34 34 THR H H 34 8.269 8.269 7.845 0.424 19147 2171 1 9 . 1 1 35 35 CYS N N 35 133.180 133.180 127.835 5.345 19147 2172 1 9 . 1 1 35 35 CYS HA H 35 3.909 3.909 4.189 -0.280 19147 2173 1 9 . 1 1 35 35 CYS C C 35 175.825 175.825 175.545 0.280 19147 2174 1 9 . 1 1 35 35 CYS CA C 35 61.216 61.216 60.812 0.404 19147 2175 1 9 . 1 1 35 35 CYS CB C 35 31.563 31.563 29.352 2.211 19147 2176 1 9 . 1 1 35 35 CYS H H 35 9.133 9.133 8.448 0.685 19147 2177 1 9 . 1 1 36 36 LYS N N 36 125.753 125.753 128.178 -2.425 19147 2178 1 9 . 1 1 36 36 LYS HA H 36 4.324 4.324 4.156 0.168 19147 2179 1 9 . 1 1 36 36 LYS C C 36 176.323 176.323 176.799 -0.476 19147 2180 1 9 . 1 1 36 36 LYS CA C 36 55.921 55.921 56.478 -0.557 19147 2181 1 9 . 1 1 36 36 LYS CB C 36 32.422 32.422 32.460 -0.038 19147 2182 1 9 . 1 1 36 36 LYS H H 36 8.343 8.343 8.232 0.111 19147 2183 1 9 . 1 1 37 37 ARG N N 37 127.726 127.726 122.178 5.548 19147 2184 1 9 . 1 1 37 37 ARG HA H 37 4.133 4.133 4.184 -0.051 19147 2185 1 9 . 1 1 37 37 ARG C C 37 177.650 177.650 177.814 -0.164 19147 2186 1 9 . 1 1 37 37 ARG CA C 37 56.595 56.595 56.679 -0.084 19147 2187 1 9 . 1 1 37 37 ARG CB C 37 30.759 30.759 30.713 0.046 19147 2188 1 9 . 1 1 37 37 ARG H H 37 9.381 9.381 7.616 1.765 19147 2189 1 9 . 1 1 38 38 GLU N N 38 131.710 131.710 125.288 6.422 19147 2190 1 9 . 1 1 38 38 GLU HA H 38 3.933 3.933 4.070 -0.137 19147 2191 1 9 . 1 1 38 38 GLU C C 38 177.342 177.342 177.640 -0.298 19147 2192 1 9 . 1 1 38 38 GLU CA C 38 58.288 58.288 59.375 -1.087 19147 2193 1 9 . 1 1 38 38 GLU CB C 38 28.628 28.628 29.316 -0.688 19147 2194 1 9 . 1 1 38 38 GLU H H 38 9.079 9.079 8.735 0.344 19147 2195 1 9 . 1 1 39 39 GLY N N 39 112.546 112.546 106.450 6.096 19147 2196 1 9 . 1 1 39 39 GLY C C 39 173.431 173.431 174.907 -1.476 19147 2197 1 9 . 1 1 39 39 GLY CA C 39 44.725 44.725 46.556 -1.831 19147 2198 1 9 . 1 1 39 39 GLY H H 39 8.693 8.693 8.355 0.338 19147 2199 1 9 . 1 1 40 40 CYS N N 40 123.383 123.383 119.047 4.336 19147 2200 1 9 . 1 1 40 40 CYS HA H 40 4.492 4.492 4.642 -0.150 19147 2201 1 9 . 1 1 40 40 CYS C C 40 175.659 175.659 175.595 0.064 19147 2202 1 9 . 1 1 40 40 CYS CA C 40 59.558 59.558 59.582 -0.024 19147 2203 1 9 . 1 1 40 40 CYS CB C 40 30.181 30.181 29.994 0.187 19147 2204 1 9 . 1 1 40 40 CYS H H 40 7.838 7.838 7.653 0.185 19147 2205 1 9 . 1 1 41 41 GLY N N 41 108.697 108.697 109.353 -0.656 19147 2206 1 9 . 1 1 41 41 GLY C C 41 174.261 174.261 173.602 0.659 19147 2207 1 9 . 1 1 41 41 GLY CA C 41 46.283 46.283 46.192 0.091 19147 2208 1 9 . 1 1 41 41 GLY H H 41 8.109 8.109 8.158 -0.049 19147 2209 1 9 . 1 1 42 42 PHE N N 42 124.198 124.198 117.140 7.058 19147 2210 1 9 . 1 1 42 42 PHE HA H 42 4.579 4.579 4.921 -0.342 19147 2211 1 9 . 1 1 42 42 PHE C C 42 172.886 172.886 173.655 -0.769 19147 2212 1 9 . 1 1 42 42 PHE CA C 42 58.164 58.164 54.501 3.663 19147 2213 1 9 . 1 1 42 42 PHE CB C 42 38.872 38.872 41.587 -2.715 19147 2214 1 9 . 1 1 42 42 PHE H H 42 8.140 8.140 7.752 0.388 19147 2215 1 9 . 1 1 43 43 ASP N N 43 129.158 129.158 120.807 8.351 19147 2216 1 9 . 1 1 43 43 ASP HA H 43 5.377 5.377 4.584 0.793 19147 2217 1 9 . 1 1 43 43 ASP C C 43 175.493 175.493 175.091 0.402 19147 2218 1 9 . 1 1 43 43 ASP CA C 43 51.991 51.991 53.400 -1.409 19147 2219 1 9 . 1 1 43 43 ASP CB C 43 42.089 42.089 42.183 -0.094 19147 2220 1 9 . 1 1 43 43 ASP H H 43 7.830 7.830 8.511 -0.681 19147 2221 1 9 . 1 1 44 44 TYR N N 44 121.015 121.015 116.235 4.780 19147 2222 1 9 . 1 1 44 44 TYR HA H 44 5.072 5.072 5.052 0.020 19147 2223 1 9 . 1 1 44 44 TYR C C 44 173.882 173.882 173.478 0.404 19147 2224 1 9 . 1 1 44 44 TYR CA C 44 54.551 54.551 56.877 -2.326 19147 2225 1 9 . 1 1 44 44 TYR CB C 44 41.061 41.061 39.247 1.814 19147 2226 1 9 . 1 1 44 44 TYR H H 44 9.264 9.264 7.628 1.636 19147 2227 1 9 . 1 1 45 45 CYS N N 45 121.008 121.008 120.891 0.117 19147 2228 1 9 . 1 1 45 45 CYS HA H 45 5.157 5.157 4.733 0.424 19147 2229 1 9 . 1 1 45 45 CYS C C 45 178.385 178.385 175.808 2.577 19147 2230 1 9 . 1 1 45 45 CYS CA C 45 56.934 56.934 60.243 -3.309 19147 2231 1 9 . 1 1 45 45 CYS CB C 45 31.953 31.953 30.671 1.282 19147 2232 1 9 . 1 1 45 45 CYS H H 45 8.420 8.420 8.874 -0.454 19147 2233 1 9 . 1 1 46 46 THR N N 46 120.657 120.657 120.705 -0.048 19147 2234 1 9 . 1 1 46 46 THR HA H 46 4.090 4.090 4.416 -0.326 19147 2235 1 9 . 1 1 46 46 THR C C 46 174.593 174.593 175.585 -0.992 19147 2236 1 9 . 1 1 46 46 THR CA C 46 64.084 64.084 63.388 0.696 19147 2237 1 9 . 1 1 46 46 THR CB C 46 66.577 66.577 68.678 -2.101 19147 2238 1 9 . 1 1 46 46 THR H H 46 8.518 8.518 8.768 -0.250 19147 2239 1 9 . 1 1 47 47 LYS N N 47 124.516 124.516 121.207 3.309 19147 2240 1 9 . 1 1 47 47 LYS HA H 47 4.377 4.377 4.160 0.217 19147 2241 1 9 . 1 1 47 47 LYS C C 47 177.319 177.319 177.945 -0.626 19147 2242 1 9 . 1 1 47 47 LYS CA C 47 58.163 58.163 58.789 -0.627 19147 2243 1 9 . 1 1 47 47 LYS CB C 47 32.753 32.753 32.518 0.235 19147 2244 1 9 . 1 1 47 47 LYS H H 47 9.452 9.452 8.173 1.279 19147 2245 1 9 . 1 1 48 48 CYS N N 48 116.543 116.543 115.153 1.390 19147 2246 1 9 . 1 1 48 48 CYS HA H 48 4.817 4.817 4.520 0.297 19147 2247 1 9 . 1 1 48 48 CYS C C 48 175.920 175.920 175.290 0.630 19147 2248 1 9 . 1 1 48 48 CYS CA C 48 57.997 57.997 58.383 -0.386 19147 2249 1 9 . 1 1 48 48 CYS CB C 48 32.109 32.109 28.442 3.667 19147 2250 1 9 . 1 1 48 48 CYS H H 48 8.244 8.244 8.236 0.008 19147 2251 1 9 . 1 1 49 49 LEU N N 49 118.590 118.590 121.982 -3.392 19147 2252 1 9 . 1 1 49 49 LEU HA H 49 4.247 4.247 4.418 -0.171 19147 2253 1 9 . 1 1 49 49 LEU C C 49 176.916 176.916 175.873 1.043 19147 2254 1 9 . 1 1 49 49 LEU CA C 49 56.333 56.333 55.929 0.404 19147 2255 1 9 . 1 1 49 49 LEU CB C 49 36.861 36.861 39.686 -2.825 19147 2256 1 9 . 1 1 49 49 LEU H H 49 8.181 8.181 7.845 0.336 19147 2257 1 9 . 1 1 50 50 CYS N N 50 115.484 115.484 116.275 -0.791 19147 2258 1 9 . 1 1 50 50 CYS HA H 50 4.938 4.938 4.758 0.180 19147 2259 1 9 . 1 1 50 50 CYS C C 50 173.194 173.194 174.300 -1.106 19147 2260 1 9 . 1 1 50 50 CYS CA C 50 57.589 57.589 56.191 1.398 19147 2261 1 9 . 1 1 50 50 CYS CB C 50 30.662 30.662 31.627 -0.965 19147 2262 1 9 . 1 1 50 50 CYS H H 50 8.001 8.001 7.991 0.010 19147 2263 1 9 . 1 1 51 51 ASN N N 51 116.975 116.975 117.777 -0.802 19147 2264 1 9 . 1 1 51 51 ASN HA H 51 4.427 4.427 4.668 -0.241 19147 2265 1 9 . 1 1 51 51 ASN C C 51 174.640 174.640 174.939 -0.299 19147 2266 1 9 . 1 1 51 51 ASN CA C 51 54.190 54.190 54.538 -0.348 19147 2267 1 9 . 1 1 51 51 ASN CB C 51 38.421 38.421 38.620 -0.199 19147 2268 1 9 . 1 1 51 51 ASN H H 51 8.453 8.453 8.691 -0.238 19147 2269 1 9 . 1 1 52 52 TYR N N 52 123.645 123.645 124.752 -1.107 19147 2270 1 9 . 1 1 52 52 TYR HA H 52 3.628 3.628 4.384 -0.756 19147 2271 1 9 . 1 1 52 52 TYR C C 52 173.953 173.953 175.953 -2.000 19147 2272 1 9 . 1 1 52 52 TYR CA C 52 61.742 61.742 59.188 2.554 19147 2273 1 9 . 1 1 52 52 TYR CB C 52 37.030 37.030 39.826 -2.796 19147 2274 1 9 . 1 1 52 52 TYR H H 52 8.903 8.903 8.194 0.709 19147 2275 1 9 . 1 1 53 53 HIS N N 53 123.135 123.135 123.590 -0.455 19147 2276 1 9 . 1 1 53 53 HIS HA H 53 4.673 4.673 4.473 0.200 19147 2277 1 9 . 1 1 53 53 HIS C C 53 173.360 173.360 174.997 -1.637 19147 2278 1 9 . 1 1 53 53 HIS CA C 53 51.116 51.116 56.876 -5.760 19147 2279 1 9 . 1 1 53 53 HIS CB C 53 29.297 29.297 27.709 1.588 19147 2280 1 9 . 1 1 53 53 HIS H H 53 5.918 5.918 8.001 -2.083 19147 2281 1 9 . 1 1 54 54 THR N N 54 110.786 110.786 114.635 -3.849 19147 2282 1 9 . 1 1 54 54 THR HA H 54 3.786 3.786 4.535 -0.749 19147 2283 1 9 . 1 1 54 54 THR C C 54 175.778 175.778 175.747 0.031 19147 2284 1 9 . 1 1 54 54 THR CA C 54 62.088 62.088 63.739 -1.651 19147 2285 1 9 . 1 1 54 54 THR CB C 54 68.634 68.634 70.088 -1.454 19147 2286 1 9 . 1 1 54 54 THR H H 54 7.632 7.632 8.435 -0.803 19147 2287 1 9 . 1 1 55 55 THR N N 55 113.157 113.157 113.603 -0.446 19147 2288 1 9 . 1 1 55 55 THR HA H 55 4.656 4.656 4.448 0.208 19147 2289 1 9 . 1 1 55 55 THR C C 55 175.209 175.209 175.128 0.081 19147 2290 1 9 . 1 1 55 55 THR CA C 55 60.909 60.909 61.841 -0.932 19147 2291 1 9 . 1 1 55 55 THR CB C 55 68.720 68.720 69.479 -0.759 19147 2292 1 9 . 1 1 55 55 THR H H 55 7.746 7.746 8.422 -0.676 19147 2293 1 9 . 1 1 56 56 LYS N N 56 122.548 122.548 122.587 -0.039 19147 2294 1 9 . 1 1 56 56 LYS HA H 56 4.247 4.247 4.526 -0.279 19147 2295 1 9 . 1 1 56 56 LYS C C 56 176.726 176.726 175.695 1.031 19147 2296 1 9 . 1 1 56 56 LYS CA C 56 56.714 56.714 55.311 1.403 19147 2297 1 9 . 1 1 56 56 LYS CB C 56 32.279 32.279 33.360 -1.081 19147 2298 1 9 . 1 1 56 56 LYS H H 56 8.344 8.344 8.205 0.139 19147 2299 1 9 . 1 1 57 57 ASP N N 57 119.260 119.260 120.252 -0.992 19147 2300 1 9 . 1 1 57 57 ASP HA H 57 4.684 4.684 4.484 0.200 19147 2301 1 9 . 1 1 57 57 ASP C C 57 176.323 176.323 176.857 -0.534 19147 2302 1 9 . 1 1 57 57 ASP CA C 57 53.331 53.331 54.361 -1.030 19147 2303 1 9 . 1 1 57 57 ASP CB C 57 41.168 41.168 40.884 0.284 19147 2304 1 9 . 1 1 57 57 ASP H H 57 8.201 8.201 8.400 -0.199 19147 2305 1 10 . 1 1 14 14 LEU N N 14 123.914 123.914 123.080 0.834 19147 2306 1 10 . 1 1 14 14 LEU HA H 14 4.914 4.914 4.801 0.113 19147 2307 1 10 . 1 1 14 14 LEU C C 14 176.963 176.963 176.919 0.044 19147 2308 1 10 . 1 1 14 14 LEU CA C 14 54.055 54.055 53.837 0.218 19147 2309 1 10 . 1 1 14 14 LEU CB C 14 44.013 44.013 42.391 1.622 19147 2310 1 10 . 1 1 14 14 LEU H H 14 8.089 8.089 7.788 0.301 19147 2311 1 10 . 1 1 15 15 LYS N N 15 121.013 121.013 123.233 -2.220 19147 2312 1 10 . 1 1 15 15 LYS HA H 15 4.323 4.323 4.410 -0.087 19147 2313 1 10 . 1 1 15 15 LYS C C 15 174.711 174.711 175.723 -1.012 19147 2314 1 10 . 1 1 15 15 LYS CA C 15 53.956 53.956 54.522 -0.566 19147 2315 1 10 . 1 1 15 15 LYS CB C 15 35.171 35.171 33.849 1.322 19147 2316 1 10 . 1 1 15 15 LYS H H 15 8.548 8.548 8.462 0.086 19147 2317 1 10 . 1 1 16 16 ALA N N 16 124.835 124.835 129.182 -4.347 19147 2318 1 10 . 1 1 16 16 ALA HA H 16 4.424 4.424 4.457 -0.033 19147 2319 1 10 . 1 1 16 16 ALA C C 16 176.513 176.513 177.542 -1.029 19147 2320 1 10 . 1 1 16 16 ALA CA C 16 50.701 50.701 51.673 -0.972 19147 2321 1 10 . 1 1 16 16 ALA CB C 16 19.404 19.404 18.784 0.620 19147 2322 1 10 . 1 1 16 16 ALA H H 16 8.119 8.119 8.431 -0.312 19147 2323 1 10 . 1 1 17 17 CYS N N 17 125.963 125.963 122.892 3.071 19147 2324 1 10 . 1 1 17 17 CYS HA H 17 4.530 4.530 4.199 0.331 19147 2325 1 10 . 1 1 17 17 CYS C C 17 179.428 179.428 177.130 2.298 19147 2326 1 10 . 1 1 17 17 CYS CA C 17 59.687 59.687 59.378 0.309 19147 2327 1 10 . 1 1 17 17 CYS CB C 17 31.087 31.087 29.544 1.543 19147 2328 1 10 . 1 1 17 17 CYS H H 17 9.517 9.517 8.079 1.438 19147 2329 1 10 . 1 1 18 18 ILE N N 18 124.917 124.917 121.599 3.318 19147 2330 1 10 . 1 1 18 18 ILE HA H 18 4.039 4.039 4.169 -0.130 19147 2331 1 10 . 1 1 18 18 ILE C C 18 175.825 175.825 175.850 -0.025 19147 2332 1 10 . 1 1 18 18 ILE CA C 18 62.353 62.353 62.865 -0.512 19147 2333 1 10 . 1 1 18 18 ILE CB C 18 37.671 37.671 37.392 0.280 19147 2334 1 10 . 1 1 18 18 ILE H H 18 7.244 7.244 8.451 -1.207 19147 2335 1 10 . 1 1 19 19 ARG N N 19 124.247 124.247 123.411 0.836 19147 2336 1 10 . 1 1 19 19 ARG HA H 19 4.235 4.235 4.257 -0.022 19147 2337 1 10 . 1 1 19 19 ARG C C 19 177.413 177.413 176.744 0.669 19147 2338 1 10 . 1 1 19 19 ARG CA C 19 57.820 57.820 58.434 -0.614 19147 2339 1 10 . 1 1 19 19 ARG CB C 19 31.496 31.496 30.701 0.794 19147 2340 1 10 . 1 1 19 19 ARG H H 19 9.392 9.392 8.130 1.262 19147 2341 1 10 . 1 1 20 20 CYS N N 20 118.959 118.959 115.179 3.780 19147 2342 1 10 . 1 1 20 20 CYS HA H 20 4.933 4.933 4.905 0.028 19147 2343 1 10 . 1 1 20 20 CYS C C 20 178.409 178.409 173.778 4.631 19147 2344 1 10 . 1 1 20 20 CYS CA C 20 58.663 58.663 57.247 1.416 19147 2345 1 10 . 1 1 20 20 CYS CB C 20 32.067 32.067 29.254 2.813 19147 2346 1 10 . 1 1 20 20 CYS H H 20 8.541 8.541 8.060 0.481 19147 2347 1 10 . 1 1 21 21 ASN N N 21 120.450 120.450 120.020 0.430 19147 2348 1 10 . 1 1 21 21 ASN HA H 21 4.422 4.422 4.509 -0.087 19147 2349 1 10 . 1 1 21 21 ASN C C 21 174.237 174.237 174.210 0.027 19147 2350 1 10 . 1 1 21 21 ASN CA C 21 55.172 55.172 54.289 0.883 19147 2351 1 10 . 1 1 21 21 ASN CB C 21 38.545 38.545 37.517 1.028 19147 2352 1 10 . 1 1 21 21 ASN H H 21 8.533 8.533 8.032 0.501 19147 2353 1 10 . 1 1 22 22 SER N N 22 119.717 119.717 114.646 5.071 19147 2354 1 10 . 1 1 22 22 SER HA H 22 4.643 4.643 4.833 -0.190 19147 2355 1 10 . 1 1 22 22 SER CA C 22 58.269 58.269 55.998 2.271 19147 2356 1 10 . 1 1 22 22 SER CB C 22 61.998 61.998 64.871 -2.873 19147 2357 1 10 . 1 1 22 22 SER H H 22 8.742 8.742 8.124 0.618 19147 2358 1 10 . 1 1 23 23 PRO HA H 23 4.375 4.375 4.464 -0.089 19147 2359 1 10 . 1 1 23 23 PRO CA C 23 64.211 64.211 62.865 1.346 19147 2360 1 10 . 1 1 23 23 PRO CB C 23 31.883 31.883 30.892 0.991 19147 2361 1 10 . 1 1 24 24 ALA N N 24 126.670 126.670 128.729 -2.059 19147 2362 1 10 . 1 1 24 24 ALA HA H 24 4.756 4.756 4.677 0.079 19147 2363 1 10 . 1 1 24 24 ALA C C 24 176.157 176.157 176.745 -0.588 19147 2364 1 10 . 1 1 24 24 ALA CA C 24 49.817 49.817 49.916 -0.099 19147 2365 1 10 . 1 1 24 24 ALA CB C 24 19.920 19.920 21.606 -1.686 19147 2366 1 10 . 1 1 24 24 ALA H H 24 8.732 8.732 8.487 0.245 19147 2367 1 10 . 1 1 25 25 LYS N N 25 122.456 122.456 126.396 -3.940 19147 2368 1 10 . 1 1 25 25 LYS HA H 25 4.260 4.260 4.157 0.102 19147 2369 1 10 . 1 1 25 25 LYS C C 25 175.612 175.612 175.795 -0.183 19147 2370 1 10 . 1 1 25 25 LYS CA C 25 56.269 56.269 56.325 -0.056 19147 2371 1 10 . 1 1 25 25 LYS CB C 25 32.912 32.912 31.831 1.081 19147 2372 1 10 . 1 1 25 25 LYS H H 25 8.045 8.045 8.206 -0.161 19147 2373 1 10 . 1 1 26 26 TYR N N 26 128.452 128.452 128.473 -0.021 19147 2374 1 10 . 1 1 26 26 TYR HA H 26 5.275 5.275 4.678 0.597 19147 2375 1 10 . 1 1 26 26 TYR C C 26 173.550 173.550 175.442 -1.892 19147 2376 1 10 . 1 1 26 26 TYR CA C 26 54.572 54.572 57.655 -3.083 19147 2377 1 10 . 1 1 26 26 TYR CB C 26 40.463 40.463 39.424 1.039 19147 2378 1 10 . 1 1 26 26 TYR H H 26 8.734 8.734 8.152 0.582 19147 2379 1 10 . 1 1 27 27 ASP N N 27 129.563 129.563 127.368 2.195 19147 2380 1 10 . 1 1 27 27 ASP HA H 27 4.525 4.525 4.660 -0.135 19147 2381 1 10 . 1 1 27 27 ASP C C 27 175.920 175.920 175.837 0.083 19147 2382 1 10 . 1 1 27 27 ASP CA C 27 51.470 51.470 52.296 -0.826 19147 2383 1 10 . 1 1 27 27 ASP CB C 27 42.426 42.426 43.042 -0.616 19147 2384 1 10 . 1 1 27 27 ASP H H 27 8.714 8.714 8.673 0.041 19147 2385 1 10 . 1 1 28 28 CYS N N 28 122.534 122.534 123.111 -0.577 19147 2386 1 10 . 1 1 28 28 CYS HA H 28 3.753 3.753 4.095 -0.342 19147 2387 1 10 . 1 1 28 28 CYS C C 28 175.043 175.043 175.613 -0.570 19147 2388 1 10 . 1 1 28 28 CYS CA C 28 58.504 58.504 59.464 -0.960 19147 2389 1 10 . 1 1 28 28 CYS CB C 28 26.501 26.501 26.380 0.121 19147 2390 1 10 . 1 1 28 28 CYS H H 28 8.226 8.226 8.364 -0.138 19147 2391 1 10 . 1 1 29 29 TYR N N 29 123.853 123.853 120.732 3.121 19147 2392 1 10 . 1 1 29 29 TYR HA H 29 4.319 4.319 4.172 0.147 19147 2393 1 10 . 1 1 29 29 TYR C C 29 177.722 177.722 176.516 1.206 19147 2394 1 10 . 1 1 29 29 TYR CA C 29 59.695 59.695 61.040 -1.345 19147 2395 1 10 . 1 1 29 29 TYR CB C 29 37.305 37.305 38.715 -1.410 19147 2396 1 10 . 1 1 29 29 TYR H H 29 8.206 8.206 7.900 0.306 19147 2397 1 10 . 1 1 30 30 LEU N N 30 117.184 117.184 115.221 1.963 19147 2398 1 10 . 1 1 30 30 LEU HA H 30 4.068 4.068 4.622 -0.554 19147 2399 1 10 . 1 1 30 30 LEU C C 30 177.058 177.058 175.787 1.271 19147 2400 1 10 . 1 1 30 30 LEU CA C 30 53.970 53.970 54.161 -0.191 19147 2401 1 10 . 1 1 30 30 LEU CB C 30 42.216 42.216 42.645 -0.429 19147 2402 1 10 . 1 1 30 30 LEU H H 30 7.681 7.681 7.554 0.127 19147 2403 1 10 . 1 1 31 31 GLN N N 31 115.267 115.267 115.252 0.015 19147 2404 1 10 . 1 1 31 31 GLN HA H 31 3.551 3.551 4.153 -0.602 19147 2405 1 10 . 1 1 31 31 GLN C C 31 173.739 173.739 174.684 -0.945 19147 2406 1 10 . 1 1 31 31 GLN CA C 31 57.133 57.133 57.250 -0.117 19147 2407 1 10 . 1 1 31 31 GLN CB C 31 25.119 25.119 25.973 -0.854 19147 2408 1 10 . 1 1 31 31 GLN H H 31 7.740 7.740 7.933 -0.193 19147 2409 1 10 . 1 1 32 32 ARG N N 32 120.485 120.485 115.338 5.147 19147 2410 1 10 . 1 1 32 32 ARG HA H 32 5.053 5.053 5.284 -0.231 19147 2411 1 10 . 1 1 32 32 ARG C C 32 173.384 173.384 173.807 -0.423 19147 2412 1 10 . 1 1 32 32 ARG CA C 32 52.928 52.928 53.416 -0.488 19147 2413 1 10 . 1 1 32 32 ARG CB C 32 36.499 36.499 34.548 1.951 19147 2414 1 10 . 1 1 32 32 ARG H H 32 7.213 7.213 7.784 -0.571 19147 2415 1 10 . 1 1 33 33 ALA N N 33 130.237 130.237 122.273 7.964 19147 2416 1 10 . 1 1 33 33 ALA HA H 33 5.295 5.295 5.238 0.057 19147 2417 1 10 . 1 1 33 33 ALA C C 33 174.522 174.522 175.115 -0.593 19147 2418 1 10 . 1 1 33 33 ALA CA C 33 49.099 49.099 50.276 -1.177 19147 2419 1 10 . 1 1 33 33 ALA CB C 33 20.309 20.309 22.271 -1.962 19147 2420 1 10 . 1 1 33 33 ALA H H 33 8.763 8.763 8.483 0.280 19147 2421 1 10 . 1 1 34 34 THR N N 34 114.351 114.351 117.004 -2.653 19147 2422 1 10 . 1 1 34 34 THR HA H 34 4.904 4.904 4.834 0.070 19147 2423 1 10 . 1 1 34 34 THR C C 34 173.597 173.597 174.854 -1.257 19147 2424 1 10 . 1 1 34 34 THR CA C 34 60.450 60.450 60.207 0.243 19147 2425 1 10 . 1 1 34 34 THR CB C 34 70.553 70.553 69.689 0.865 19147 2426 1 10 . 1 1 34 34 THR H H 34 8.269 8.269 7.975 0.294 19147 2427 1 10 . 1 1 35 35 CYS N N 35 133.180 133.180 127.403 5.777 19147 2428 1 10 . 1 1 35 35 CYS HA H 35 3.909 3.909 4.145 -0.236 19147 2429 1 10 . 1 1 35 35 CYS C C 35 175.825 175.825 175.614 0.211 19147 2430 1 10 . 1 1 35 35 CYS CA C 35 61.216 61.216 61.690 -0.473 19147 2431 1 10 . 1 1 35 35 CYS CB C 35 31.563 31.563 29.173 2.390 19147 2432 1 10 . 1 1 35 35 CYS H H 35 9.133 9.133 8.471 0.662 19147 2433 1 10 . 1 1 36 36 LYS N N 36 125.753 125.753 127.212 -1.459 19147 2434 1 10 . 1 1 36 36 LYS HA H 36 4.324 4.324 4.254 0.070 19147 2435 1 10 . 1 1 36 36 LYS C C 36 176.323 176.323 177.086 -0.763 19147 2436 1 10 . 1 1 36 36 LYS CA C 36 55.921 55.921 56.236 -0.315 19147 2437 1 10 . 1 1 36 36 LYS CB C 36 32.422 32.422 32.615 -0.193 19147 2438 1 10 . 1 1 36 36 LYS H H 36 8.343 8.343 8.173 0.170 19147 2439 1 10 . 1 1 37 37 ARG N N 37 127.726 127.726 122.649 5.077 19147 2440 1 10 . 1 1 37 37 ARG HA H 37 4.133 4.133 4.136 -0.003 19147 2441 1 10 . 1 1 37 37 ARG C C 37 177.650 177.650 177.673 -0.023 19147 2442 1 10 . 1 1 37 37 ARG CA C 37 56.595 56.595 56.752 -0.157 19147 2443 1 10 . 1 1 37 37 ARG CB C 37 30.759 30.759 30.548 0.211 19147 2444 1 10 . 1 1 37 37 ARG H H 37 9.381 9.381 7.644 1.737 19147 2445 1 10 . 1 1 38 38 GLU N N 38 131.710 131.710 125.601 6.109 19147 2446 1 10 . 1 1 38 38 GLU HA H 38 3.933 3.933 4.110 -0.177 19147 2447 1 10 . 1 1 38 38 GLU C C 38 177.342 177.342 177.403 -0.061 19147 2448 1 10 . 1 1 38 38 GLU CA C 38 58.288 58.288 59.009 -0.721 19147 2449 1 10 . 1 1 38 38 GLU CB C 38 28.628 28.628 29.219 -0.591 19147 2450 1 10 . 1 1 38 38 GLU H H 38 9.079 9.079 8.812 0.267 19147 2451 1 10 . 1 1 39 39 GLY N N 39 112.546 112.546 106.036 6.510 19147 2452 1 10 . 1 1 39 39 GLY C C 39 173.431 173.431 174.785 -1.354 19147 2453 1 10 . 1 1 39 39 GLY CA C 39 44.725 44.725 46.147 -1.422 19147 2454 1 10 . 1 1 39 39 GLY H H 39 8.693 8.693 8.330 0.363 19147 2455 1 10 . 1 1 40 40 CYS N N 40 123.383 123.383 118.497 4.886 19147 2456 1 10 . 1 1 40 40 CYS HA H 40 4.492 4.492 4.585 -0.093 19147 2457 1 10 . 1 1 40 40 CYS C C 40 175.659 175.659 175.390 0.269 19147 2458 1 10 . 1 1 40 40 CYS CA C 40 59.558 59.558 60.208 -0.650 19147 2459 1 10 . 1 1 40 40 CYS CB C 40 30.181 30.181 30.118 0.063 19147 2460 1 10 . 1 1 40 40 CYS H H 40 7.838 7.838 7.958 -0.120 19147 2461 1 10 . 1 1 41 41 GLY N N 41 108.697 108.697 109.710 -1.013 19147 2462 1 10 . 1 1 41 41 GLY C C 41 174.261 174.261 173.264 0.997 19147 2463 1 10 . 1 1 41 41 GLY CA C 41 46.283 46.283 46.370 -0.087 19147 2464 1 10 . 1 1 41 41 GLY H H 41 8.109 8.109 8.181 -0.072 19147 2465 1 10 . 1 1 42 42 PHE N N 42 124.198 124.198 117.422 6.776 19147 2466 1 10 . 1 1 42 42 PHE HA H 42 4.579 4.579 4.893 -0.314 19147 2467 1 10 . 1 1 42 42 PHE C C 42 172.886 172.886 173.999 -1.113 19147 2468 1 10 . 1 1 42 42 PHE CA C 42 58.164 58.164 54.038 4.126 19147 2469 1 10 . 1 1 42 42 PHE CB C 42 38.872 38.872 41.269 -2.397 19147 2470 1 10 . 1 1 42 42 PHE H H 42 8.140 8.140 7.716 0.424 19147 2471 1 10 . 1 1 43 43 ASP N N 43 129.158 129.158 121.070 8.088 19147 2472 1 10 . 1 1 43 43 ASP HA H 43 5.377 5.377 4.842 0.535 19147 2473 1 10 . 1 1 43 43 ASP C C 43 175.493 175.493 175.031 0.462 19147 2474 1 10 . 1 1 43 43 ASP CA C 43 51.991 51.991 53.055 -1.064 19147 2475 1 10 . 1 1 43 43 ASP CB C 43 42.089 42.089 42.059 0.030 19147 2476 1 10 . 1 1 43 43 ASP H H 43 7.830 7.830 8.484 -0.654 19147 2477 1 10 . 1 1 44 44 TYR N N 44 121.015 121.015 116.288 4.727 19147 2478 1 10 . 1 1 44 44 TYR HA H 44 5.072 5.072 5.107 -0.035 19147 2479 1 10 . 1 1 44 44 TYR C C 44 173.882 173.882 173.658 0.224 19147 2480 1 10 . 1 1 44 44 TYR CA C 44 54.551 54.551 56.499 -1.948 19147 2481 1 10 . 1 1 44 44 TYR CB C 44 41.061 41.061 40.023 1.038 19147 2482 1 10 . 1 1 44 44 TYR H H 44 9.264 9.264 7.600 1.664 19147 2483 1 10 . 1 1 45 45 CYS N N 45 121.008 121.008 121.158 -0.150 19147 2484 1 10 . 1 1 45 45 CYS HA H 45 5.157 5.157 4.950 0.207 19147 2485 1 10 . 1 1 45 45 CYS C C 45 178.385 178.385 175.903 2.482 19147 2486 1 10 . 1 1 45 45 CYS CA C 45 56.934 56.934 59.971 -3.037 19147 2487 1 10 . 1 1 45 45 CYS CB C 45 31.953 31.953 29.770 2.183 19147 2488 1 10 . 1 1 45 45 CYS H H 45 8.420 8.420 9.037 -0.617 19147 2489 1 10 . 1 1 46 46 THR N N 46 120.657 120.657 121.963 -1.306 19147 2490 1 10 . 1 1 46 46 THR HA H 46 4.090 4.090 4.201 -0.111 19147 2491 1 10 . 1 1 46 46 THR C C 46 174.593 174.593 175.325 -0.732 19147 2492 1 10 . 1 1 46 46 THR CA C 46 64.084 64.084 64.587 -0.503 19147 2493 1 10 . 1 1 46 46 THR CB C 46 66.577 66.577 68.726 -2.149 19147 2494 1 10 . 1 1 46 46 THR H H 46 8.518 8.518 8.801 -0.283 19147 2495 1 10 . 1 1 47 47 LYS N N 47 124.516 124.516 120.384 4.132 19147 2496 1 10 . 1 1 47 47 LYS HA H 47 4.377 4.377 4.197 0.180 19147 2497 1 10 . 1 1 47 47 LYS C C 47 177.319 177.319 177.551 -0.232 19147 2498 1 10 . 1 1 47 47 LYS CA C 47 58.163 58.163 58.993 -0.830 19147 2499 1 10 . 1 1 47 47 LYS CB C 47 32.753 32.753 32.449 0.304 19147 2500 1 10 . 1 1 47 47 LYS H H 47 9.452 9.452 8.230 1.222 19147 2501 1 10 . 1 1 48 48 CYS N N 48 116.543 116.543 115.692 0.851 19147 2502 1 10 . 1 1 48 48 CYS HA H 48 4.817 4.817 4.662 0.155 19147 2503 1 10 . 1 1 48 48 CYS C C 48 175.920 175.920 175.634 0.286 19147 2504 1 10 . 1 1 48 48 CYS CA C 48 57.997 57.997 57.201 0.796 19147 2505 1 10 . 1 1 48 48 CYS CB C 48 32.109 32.109 27.904 4.205 19147 2506 1 10 . 1 1 48 48 CYS H H 48 8.244 8.244 8.169 0.075 19147 2507 1 10 . 1 1 49 49 LEU N N 49 118.590 118.590 121.226 -2.636 19147 2508 1 10 . 1 1 49 49 LEU HA H 49 4.247 4.247 4.269 -0.022 19147 2509 1 10 . 1 1 49 49 LEU C C 49 176.916 176.916 176.190 0.726 19147 2510 1 10 . 1 1 49 49 LEU CA C 49 56.333 56.333 56.054 0.279 19147 2511 1 10 . 1 1 49 49 LEU CB C 49 36.861 36.861 39.109 -2.248 19147 2512 1 10 . 1 1 49 49 LEU H H 49 8.181 8.181 8.067 0.114 19147 2513 1 10 . 1 1 50 50 CYS N N 50 115.484 115.484 115.983 -0.499 19147 2514 1 10 . 1 1 50 50 CYS HA H 50 4.938 4.938 4.702 0.236 19147 2515 1 10 . 1 1 50 50 CYS C C 50 173.194 173.194 174.257 -1.063 19147 2516 1 10 . 1 1 50 50 CYS CA C 50 57.589 57.589 56.522 1.067 19147 2517 1 10 . 1 1 50 50 CYS CB C 50 30.662 30.662 31.498 -0.836 19147 2518 1 10 . 1 1 50 50 CYS H H 50 8.001 8.001 7.718 0.283 19147 2519 1 10 . 1 1 51 51 ASN N N 51 116.975 116.975 118.840 -1.865 19147 2520 1 10 . 1 1 51 51 ASN HA H 51 4.427 4.427 4.637 -0.210 19147 2521 1 10 . 1 1 51 51 ASN C C 51 174.640 174.640 174.493 0.147 19147 2522 1 10 . 1 1 51 51 ASN CA C 51 54.190 54.190 54.734 -0.544 19147 2523 1 10 . 1 1 51 51 ASN CB C 51 38.421 38.421 38.826 -0.405 19147 2524 1 10 . 1 1 51 51 ASN H H 51 8.453 8.453 8.576 -0.123 19147 2525 1 10 . 1 1 52 52 TYR N N 52 123.645 123.645 123.941 -0.296 19147 2526 1 10 . 1 1 52 52 TYR HA H 52 3.628 3.628 4.577 -0.949 19147 2527 1 10 . 1 1 52 52 TYR C C 52 173.953 173.953 176.563 -2.610 19147 2528 1 10 . 1 1 52 52 TYR CA C 52 61.742 61.742 58.051 3.691 19147 2529 1 10 . 1 1 52 52 TYR CB C 52 37.030 37.030 40.609 -3.579 19147 2530 1 10 . 1 1 52 52 TYR H H 52 8.903 8.903 8.378 0.525 19147 2531 1 10 . 1 1 53 53 HIS N N 53 123.135 123.135 123.614 -0.479 19147 2532 1 10 . 1 1 53 53 HIS HA H 53 4.673 4.673 4.602 0.071 19147 2533 1 10 . 1 1 53 53 HIS C C 53 173.360 173.360 175.176 -1.816 19147 2534 1 10 . 1 1 53 53 HIS CA C 53 51.116 51.116 56.167 -5.051 19147 2535 1 10 . 1 1 53 53 HIS CB C 53 29.297 29.297 27.319 1.978 19147 2536 1 10 . 1 1 53 53 HIS H H 53 5.918 5.918 7.866 -1.948 19147 2537 1 10 . 1 1 54 54 THR N N 54 110.786 110.786 113.902 -3.116 19147 2538 1 10 . 1 1 54 54 THR HA H 54 3.786 3.786 4.428 -0.642 19147 2539 1 10 . 1 1 54 54 THR C C 54 175.778 175.778 175.605 0.173 19147 2540 1 10 . 1 1 54 54 THR CA C 54 62.088 62.088 64.671 -2.583 19147 2541 1 10 . 1 1 54 54 THR CB C 54 68.634 68.634 69.765 -1.131 19147 2542 1 10 . 1 1 54 54 THR H H 54 7.632 7.632 8.436 -0.804 19147 2543 1 10 . 1 1 55 55 THR N N 55 113.157 113.157 112.565 0.592 19147 2544 1 10 . 1 1 55 55 THR HA H 55 4.656 4.656 4.420 0.236 19147 2545 1 10 . 1 1 55 55 THR C C 55 175.209 175.209 174.647 0.562 19147 2546 1 10 . 1 1 55 55 THR CA C 55 60.909 60.909 61.947 -1.038 19147 2547 1 10 . 1 1 55 55 THR CB C 55 68.720 68.720 68.971 -0.251 19147 2548 1 10 . 1 1 55 55 THR H H 55 7.746 7.746 8.332 -0.586 19147 2549 1 10 . 1 1 56 56 LYS N N 56 122.548 122.548 123.538 -0.990 19147 2550 1 10 . 1 1 56 56 LYS HA H 56 4.247 4.247 4.444 -0.197 19147 2551 1 10 . 1 1 56 56 LYS C C 56 176.726 176.726 175.772 0.954 19147 2552 1 10 . 1 1 56 56 LYS CA C 56 56.714 56.714 55.801 0.913 19147 2553 1 10 . 1 1 56 56 LYS CB C 56 32.279 32.279 33.775 -1.496 19147 2554 1 10 . 1 1 56 56 LYS H H 56 8.344 8.344 8.179 0.165 19147 2555 1 10 . 1 1 57 57 ASP N N 57 119.260 119.260 120.357 -1.097 19147 2556 1 10 . 1 1 57 57 ASP HA H 57 4.684 4.684 4.517 0.167 19147 2557 1 10 . 1 1 57 57 ASP C C 57 176.323 176.323 176.571 -0.248 19147 2558 1 10 . 1 1 57 57 ASP CA C 57 53.331 53.331 54.315 -0.984 19147 2559 1 10 . 1 1 57 57 ASP CB C 57 41.168 41.168 40.855 0.313 19147 2560 1 10 . 1 1 57 57 ASP H H 57 8.201 8.201 8.462 -0.261 19147 2561 1 11 . 1 1 14 14 LEU N N 14 123.914 123.914 122.831 1.083 19147 2562 1 11 . 1 1 14 14 LEU HA H 14 4.914 4.914 4.736 0.178 19147 2563 1 11 . 1 1 14 14 LEU C C 14 176.963 176.963 176.738 0.225 19147 2564 1 11 . 1 1 14 14 LEU CA C 14 54.055 54.055 54.015 0.040 19147 2565 1 11 . 1 1 14 14 LEU CB C 14 44.013 44.013 42.783 1.230 19147 2566 1 11 . 1 1 14 14 LEU H H 14 8.089 8.089 7.769 0.320 19147 2567 1 11 . 1 1 15 15 LYS N N 15 121.013 121.013 121.787 -0.774 19147 2568 1 11 . 1 1 15 15 LYS HA H 15 4.323 4.323 4.394 -0.071 19147 2569 1 11 . 1 1 15 15 LYS C C 15 174.711 174.711 175.682 -0.971 19147 2570 1 11 . 1 1 15 15 LYS CA C 15 53.956 53.956 54.725 -0.769 19147 2571 1 11 . 1 1 15 15 LYS CB C 15 35.171 35.171 33.999 1.172 19147 2572 1 11 . 1 1 15 15 LYS H H 15 8.548 8.548 8.888 -0.340 19147 2573 1 11 . 1 1 16 16 ALA N N 16 124.835 124.835 129.437 -4.602 19147 2574 1 11 . 1 1 16 16 ALA HA H 16 4.424 4.424 4.489 -0.065 19147 2575 1 11 . 1 1 16 16 ALA C C 16 176.513 176.513 177.403 -0.890 19147 2576 1 11 . 1 1 16 16 ALA CA C 16 50.701 50.701 51.451 -0.750 19147 2577 1 11 . 1 1 16 16 ALA CB C 16 19.404 19.404 18.695 0.709 19147 2578 1 11 . 1 1 16 16 ALA H H 16 8.119 8.119 8.432 -0.313 19147 2579 1 11 . 1 1 17 17 CYS N N 17 125.963 125.963 123.134 2.829 19147 2580 1 11 . 1 1 17 17 CYS HA H 17 4.530 4.530 4.240 0.290 19147 2581 1 11 . 1 1 17 17 CYS C C 17 179.428 179.428 177.199 2.229 19147 2582 1 11 . 1 1 17 17 CYS CA C 17 59.687 59.687 58.950 0.737 19147 2583 1 11 . 1 1 17 17 CYS CB C 17 31.087 31.087 29.436 1.651 19147 2584 1 11 . 1 1 17 17 CYS H H 17 9.517 9.517 8.045 1.472 19147 2585 1 11 . 1 1 18 18 ILE N N 18 124.917 124.917 121.382 3.535 19147 2586 1 11 . 1 1 18 18 ILE HA H 18 4.039 4.039 4.190 -0.151 19147 2587 1 11 . 1 1 18 18 ILE C C 18 175.825 175.825 175.982 -0.157 19147 2588 1 11 . 1 1 18 18 ILE CA C 18 62.353 62.353 62.727 -0.374 19147 2589 1 11 . 1 1 18 18 ILE CB C 18 37.671 37.671 37.498 0.173 19147 2590 1 11 . 1 1 18 18 ILE H H 18 7.244 7.244 8.471 -1.227 19147 2591 1 11 . 1 1 19 19 ARG N N 19 124.247 124.247 123.195 1.052 19147 2592 1 11 . 1 1 19 19 ARG HA H 19 4.235 4.235 4.229 0.006 19147 2593 1 11 . 1 1 19 19 ARG C C 19 177.413 177.413 176.659 0.754 19147 2594 1 11 . 1 1 19 19 ARG CA C 19 57.820 57.820 58.486 -0.666 19147 2595 1 11 . 1 1 19 19 ARG CB C 19 31.496 31.496 30.624 0.872 19147 2596 1 11 . 1 1 19 19 ARG H H 19 9.392 9.392 8.184 1.208 19147 2597 1 11 . 1 1 20 20 CYS N N 20 118.959 118.959 113.990 4.969 19147 2598 1 11 . 1 1 20 20 CYS HA H 20 4.933 4.933 4.814 0.119 19147 2599 1 11 . 1 1 20 20 CYS C C 20 178.409 178.409 173.555 4.854 19147 2600 1 11 . 1 1 20 20 CYS CA C 20 58.663 58.663 56.924 1.739 19147 2601 1 11 . 1 1 20 20 CYS CB C 20 32.067 32.067 29.211 2.856 19147 2602 1 11 . 1 1 20 20 CYS H H 20 8.541 8.541 7.967 0.574 19147 2603 1 11 . 1 1 21 21 ASN N N 21 120.450 120.450 120.150 0.300 19147 2604 1 11 . 1 1 21 21 ASN HA H 21 4.422 4.422 4.467 -0.045 19147 2605 1 11 . 1 1 21 21 ASN C C 21 174.237 174.237 174.475 -0.238 19147 2606 1 11 . 1 1 21 21 ASN CA C 21 55.172 55.172 54.381 0.791 19147 2607 1 11 . 1 1 21 21 ASN CB C 21 38.545 38.545 37.279 1.266 19147 2608 1 11 . 1 1 21 21 ASN H H 21 8.533 8.533 8.054 0.479 19147 2609 1 11 . 1 1 22 22 SER N N 22 119.717 119.717 115.756 3.961 19147 2610 1 11 . 1 1 22 22 SER HA H 22 4.643 4.643 4.726 -0.083 19147 2611 1 11 . 1 1 22 22 SER CA C 22 58.269 58.269 56.623 1.645 19147 2612 1 11 . 1 1 22 22 SER CB C 22 61.998 61.998 65.005 -3.007 19147 2613 1 11 . 1 1 22 22 SER H H 22 8.742 8.742 8.153 0.589 19147 2614 1 11 . 1 1 23 23 PRO HA H 23 4.375 4.375 4.483 -0.108 19147 2615 1 11 . 1 1 23 23 PRO CA C 23 64.211 64.211 62.892 1.319 19147 2616 1 11 . 1 1 23 23 PRO CB C 23 31.883 31.883 30.329 1.554 19147 2617 1 11 . 1 1 24 24 ALA N N 24 126.670 126.670 128.375 -1.705 19147 2618 1 11 . 1 1 24 24 ALA HA H 24 4.756 4.756 4.656 0.100 19147 2619 1 11 . 1 1 24 24 ALA C C 24 176.157 176.157 176.419 -0.262 19147 2620 1 11 . 1 1 24 24 ALA CA C 24 49.817 49.817 50.330 -0.513 19147 2621 1 11 . 1 1 24 24 ALA CB C 24 19.920 19.920 21.299 -1.379 19147 2622 1 11 . 1 1 24 24 ALA H H 24 8.732 8.732 8.760 -0.028 19147 2623 1 11 . 1 1 25 25 LYS N N 25 122.456 122.456 127.039 -4.583 19147 2624 1 11 . 1 1 25 25 LYS HA H 25 4.260 4.260 4.102 0.158 19147 2625 1 11 . 1 1 25 25 LYS C C 25 175.612 175.612 175.180 0.432 19147 2626 1 11 . 1 1 25 25 LYS CA C 25 56.269 56.269 55.766 0.503 19147 2627 1 11 . 1 1 25 25 LYS CB C 25 32.912 32.912 32.223 0.689 19147 2628 1 11 . 1 1 25 25 LYS H H 25 8.045 8.045 8.425 -0.380 19147 2629 1 11 . 1 1 26 26 TYR N N 26 128.452 128.452 129.969 -1.517 19147 2630 1 11 . 1 1 26 26 TYR HA H 26 5.275 5.275 4.842 0.433 19147 2631 1 11 . 1 1 26 26 TYR C C 26 173.550 173.550 175.315 -1.765 19147 2632 1 11 . 1 1 26 26 TYR CA C 26 54.572 54.572 56.546 -1.974 19147 2633 1 11 . 1 1 26 26 TYR CB C 26 40.463 40.463 39.425 1.038 19147 2634 1 11 . 1 1 26 26 TYR H H 26 8.734 8.734 8.206 0.528 19147 2635 1 11 . 1 1 27 27 ASP N N 27 129.563 129.563 126.955 2.608 19147 2636 1 11 . 1 1 27 27 ASP HA H 27 4.525 4.525 4.717 -0.192 19147 2637 1 11 . 1 1 27 27 ASP C C 27 175.920 175.920 176.115 -0.195 19147 2638 1 11 . 1 1 27 27 ASP CA C 27 51.470 51.470 52.526 -1.056 19147 2639 1 11 . 1 1 27 27 ASP CB C 27 42.426 42.426 42.120 0.306 19147 2640 1 11 . 1 1 27 27 ASP H H 27 8.714 8.714 8.937 -0.223 19147 2641 1 11 . 1 1 28 28 CYS N N 28 122.534 122.534 123.453 -0.919 19147 2642 1 11 . 1 1 28 28 CYS HA H 28 3.753 3.753 4.104 -0.351 19147 2643 1 11 . 1 1 28 28 CYS C C 28 175.043 175.043 175.440 -0.397 19147 2644 1 11 . 1 1 28 28 CYS CA C 28 58.504 58.504 59.821 -1.317 19147 2645 1 11 . 1 1 28 28 CYS CB C 28 26.501 26.501 27.611 -1.110 19147 2646 1 11 . 1 1 28 28 CYS H H 28 8.226 8.226 8.208 0.018 19147 2647 1 11 . 1 1 29 29 TYR N N 29 123.853 123.853 121.036 2.817 19147 2648 1 11 . 1 1 29 29 TYR HA H 29 4.319 4.319 4.220 0.099 19147 2649 1 11 . 1 1 29 29 TYR C C 29 177.722 177.722 176.205 1.517 19147 2650 1 11 . 1 1 29 29 TYR CA C 29 59.695 59.695 60.675 -0.980 19147 2651 1 11 . 1 1 29 29 TYR CB C 29 37.305 37.305 38.682 -1.377 19147 2652 1 11 . 1 1 29 29 TYR H H 29 8.206 8.206 7.803 0.403 19147 2653 1 11 . 1 1 30 30 LEU N N 30 117.184 117.184 115.054 2.130 19147 2654 1 11 . 1 1 30 30 LEU HA H 30 4.068 4.068 4.661 -0.593 19147 2655 1 11 . 1 1 30 30 LEU C C 30 177.058 177.058 175.429 1.629 19147 2656 1 11 . 1 1 30 30 LEU CA C 30 53.970 53.970 54.160 -0.190 19147 2657 1 11 . 1 1 30 30 LEU CB C 30 42.216 42.216 42.770 -0.555 19147 2658 1 11 . 1 1 30 30 LEU H H 30 7.681 7.681 7.553 0.128 19147 2659 1 11 . 1 1 31 31 GLN N N 31 115.267 115.267 115.495 -0.228 19147 2660 1 11 . 1 1 31 31 GLN HA H 31 3.551 3.551 4.133 -0.582 19147 2661 1 11 . 1 1 31 31 GLN C C 31 173.739 173.739 175.065 -1.326 19147 2662 1 11 . 1 1 31 31 GLN CA C 31 57.133 57.133 57.330 -0.197 19147 2663 1 11 . 1 1 31 31 GLN CB C 31 25.119 25.119 26.102 -0.984 19147 2664 1 11 . 1 1 31 31 GLN H H 31 7.740 7.740 7.924 -0.184 19147 2665 1 11 . 1 1 32 32 ARG N N 32 120.485 120.485 115.152 5.333 19147 2666 1 11 . 1 1 32 32 ARG HA H 32 5.053 5.053 5.148 -0.095 19147 2667 1 11 . 1 1 32 32 ARG C C 32 173.384 173.384 173.975 -0.591 19147 2668 1 11 . 1 1 32 32 ARG CA C 32 52.928 52.928 53.891 -0.963 19147 2669 1 11 . 1 1 32 32 ARG CB C 32 36.499 36.499 33.805 2.694 19147 2670 1 11 . 1 1 32 32 ARG H H 32 7.213 7.213 7.805 -0.592 19147 2671 1 11 . 1 1 33 33 ALA N N 33 130.237 130.237 122.315 7.922 19147 2672 1 11 . 1 1 33 33 ALA HA H 33 5.295 5.295 5.306 -0.011 19147 2673 1 11 . 1 1 33 33 ALA C C 33 174.522 174.522 175.099 -0.577 19147 2674 1 11 . 1 1 33 33 ALA CA C 33 49.099 49.099 50.279 -1.180 19147 2675 1 11 . 1 1 33 33 ALA CB C 33 20.309 20.309 22.246 -1.937 19147 2676 1 11 . 1 1 33 33 ALA H H 33 8.763 8.763 8.737 0.026 19147 2677 1 11 . 1 1 34 34 THR N N 34 114.351 114.351 116.979 -2.628 19147 2678 1 11 . 1 1 34 34 THR HA H 34 4.904 4.904 4.893 0.011 19147 2679 1 11 . 1 1 34 34 THR C C 34 173.597 173.597 174.638 -1.041 19147 2680 1 11 . 1 1 34 34 THR CA C 34 60.450 60.450 60.140 0.310 19147 2681 1 11 . 1 1 34 34 THR CB C 34 70.553 70.553 70.083 0.470 19147 2682 1 11 . 1 1 34 34 THR H H 34 8.269 8.269 8.006 0.263 19147 2683 1 11 . 1 1 35 35 CYS N N 35 133.180 133.180 126.859 6.321 19147 2684 1 11 . 1 1 35 35 CYS HA H 35 3.909 3.909 4.189 -0.280 19147 2685 1 11 . 1 1 35 35 CYS C C 35 175.825 175.825 175.585 0.240 19147 2686 1 11 . 1 1 35 35 CYS CA C 35 61.216 61.216 61.370 -0.154 19147 2687 1 11 . 1 1 35 35 CYS CB C 35 31.563 31.563 29.206 2.357 19147 2688 1 11 . 1 1 35 35 CYS H H 35 9.133 9.133 8.427 0.706 19147 2689 1 11 . 1 1 36 36 LYS N N 36 125.753 125.753 127.477 -1.724 19147 2690 1 11 . 1 1 36 36 LYS HA H 36 4.324 4.324 4.195 0.129 19147 2691 1 11 . 1 1 36 36 LYS C C 36 176.323 176.323 176.709 -0.386 19147 2692 1 11 . 1 1 36 36 LYS CA C 36 55.921 55.921 56.279 -0.358 19147 2693 1 11 . 1 1 36 36 LYS CB C 36 32.422 32.422 32.572 -0.150 19147 2694 1 11 . 1 1 36 36 LYS H H 36 8.343 8.343 8.290 0.053 19147 2695 1 11 . 1 1 37 37 ARG N N 37 127.726 127.726 122.439 5.287 19147 2696 1 11 . 1 1 37 37 ARG HA H 37 4.133 4.133 4.212 -0.079 19147 2697 1 11 . 1 1 37 37 ARG C C 37 177.650 177.650 177.988 -0.338 19147 2698 1 11 . 1 1 37 37 ARG CA C 37 56.595 56.595 56.526 0.069 19147 2699 1 11 . 1 1 37 37 ARG CB C 37 30.759 30.759 30.658 0.101 19147 2700 1 11 . 1 1 37 37 ARG H H 37 9.381 9.381 7.617 1.764 19147 2701 1 11 . 1 1 38 38 GLU N N 38 131.710 131.710 125.784 5.926 19147 2702 1 11 . 1 1 38 38 GLU HA H 38 3.933 3.933 4.081 -0.148 19147 2703 1 11 . 1 1 38 38 GLU C C 38 177.342 177.342 177.564 -0.222 19147 2704 1 11 . 1 1 38 38 GLU CA C 38 58.288 58.288 59.307 -1.019 19147 2705 1 11 . 1 1 38 38 GLU CB C 38 28.628 28.628 29.228 -0.600 19147 2706 1 11 . 1 1 38 38 GLU H H 38 9.079 9.079 8.791 0.288 19147 2707 1 11 . 1 1 39 39 GLY N N 39 112.546 112.546 105.852 6.694 19147 2708 1 11 . 1 1 39 39 GLY C C 39 173.431 173.431 174.730 -1.299 19147 2709 1 11 . 1 1 39 39 GLY CA C 39 44.725 44.725 46.142 -1.417 19147 2710 1 11 . 1 1 39 39 GLY H H 39 8.693 8.693 8.330 0.363 19147 2711 1 11 . 1 1 40 40 CYS N N 40 123.383 123.383 118.231 5.152 19147 2712 1 11 . 1 1 40 40 CYS HA H 40 4.492 4.492 4.622 -0.130 19147 2713 1 11 . 1 1 40 40 CYS C C 40 175.659 175.659 175.289 0.370 19147 2714 1 11 . 1 1 40 40 CYS CA C 40 59.558 59.558 59.798 -0.240 19147 2715 1 11 . 1 1 40 40 CYS CB C 40 30.181 30.181 30.190 -0.009 19147 2716 1 11 . 1 1 40 40 CYS H H 40 7.838 7.838 7.995 -0.157 19147 2717 1 11 . 1 1 41 41 GLY N N 41 108.697 108.697 109.889 -1.192 19147 2718 1 11 . 1 1 41 41 GLY C C 41 174.261 174.261 173.260 1.001 19147 2719 1 11 . 1 1 41 41 GLY CA C 41 46.283 46.283 46.411 -0.128 19147 2720 1 11 . 1 1 41 41 GLY H H 41 8.109 8.109 8.175 -0.066 19147 2721 1 11 . 1 1 42 42 PHE N N 42 124.198 124.198 116.480 7.718 19147 2722 1 11 . 1 1 42 42 PHE HA H 42 4.579 4.579 4.944 -0.365 19147 2723 1 11 . 1 1 42 42 PHE C C 42 172.886 172.886 173.870 -0.984 19147 2724 1 11 . 1 1 42 42 PHE CA C 42 58.164 58.164 53.990 4.174 19147 2725 1 11 . 1 1 42 42 PHE CB C 42 38.872 38.872 41.150 -2.278 19147 2726 1 11 . 1 1 42 42 PHE H H 42 8.140 8.140 7.723 0.417 19147 2727 1 11 . 1 1 43 43 ASP N N 43 129.158 129.158 120.658 8.500 19147 2728 1 11 . 1 1 43 43 ASP HA H 43 5.377 5.377 4.874 0.503 19147 2729 1 11 . 1 1 43 43 ASP C C 43 175.493 175.493 175.210 0.283 19147 2730 1 11 . 1 1 43 43 ASP CA C 43 51.991 51.991 53.186 -1.195 19147 2731 1 11 . 1 1 43 43 ASP CB C 43 42.089 42.089 42.362 -0.273 19147 2732 1 11 . 1 1 43 43 ASP H H 43 7.830 7.830 8.507 -0.677 19147 2733 1 11 . 1 1 44 44 TYR N N 44 121.015 121.015 116.910 4.105 19147 2734 1 11 . 1 1 44 44 TYR HA H 44 5.072 5.072 5.125 -0.053 19147 2735 1 11 . 1 1 44 44 TYR C C 44 173.882 173.882 173.483 0.399 19147 2736 1 11 . 1 1 44 44 TYR CA C 44 54.551 54.551 56.438 -1.887 19147 2737 1 11 . 1 1 44 44 TYR CB C 44 41.061 41.061 39.908 1.153 19147 2738 1 11 . 1 1 44 44 TYR H H 44 9.264 9.264 7.803 1.461 19147 2739 1 11 . 1 1 45 45 CYS N N 45 121.008 121.008 121.310 -0.302 19147 2740 1 11 . 1 1 45 45 CYS HA H 45 5.157 5.157 4.973 0.184 19147 2741 1 11 . 1 1 45 45 CYS C C 45 178.385 178.385 175.988 2.397 19147 2742 1 11 . 1 1 45 45 CYS CA C 45 56.934 56.934 59.275 -2.341 19147 2743 1 11 . 1 1 45 45 CYS CB C 45 31.953 31.953 30.192 1.761 19147 2744 1 11 . 1 1 45 45 CYS H H 45 8.420 8.420 9.018 -0.598 19147 2745 1 11 . 1 1 46 46 THR N N 46 120.657 120.657 122.463 -1.806 19147 2746 1 11 . 1 1 46 46 THR HA H 46 4.090 4.090 4.198 -0.108 19147 2747 1 11 . 1 1 46 46 THR C C 46 174.593 174.593 175.269 -0.676 19147 2748 1 11 . 1 1 46 46 THR CA C 46 64.084 64.084 64.661 -0.577 19147 2749 1 11 . 1 1 46 46 THR CB C 46 66.577 66.577 68.485 -1.908 19147 2750 1 11 . 1 1 46 46 THR H H 46 8.518 8.518 8.835 -0.317 19147 2751 1 11 . 1 1 47 47 LYS N N 47 124.516 124.516 120.196 4.320 19147 2752 1 11 . 1 1 47 47 LYS HA H 47 4.377 4.377 4.243 0.134 19147 2753 1 11 . 1 1 47 47 LYS C C 47 177.319 177.319 177.784 -0.465 19147 2754 1 11 . 1 1 47 47 LYS CA C 47 58.163 58.163 58.930 -0.767 19147 2755 1 11 . 1 1 47 47 LYS CB C 47 32.753 32.753 32.408 0.345 19147 2756 1 11 . 1 1 47 47 LYS H H 47 9.452 9.452 8.175 1.277 19147 2757 1 11 . 1 1 48 48 CYS N N 48 116.543 116.543 116.388 0.155 19147 2758 1 11 . 1 1 48 48 CYS HA H 48 4.817 4.817 4.609 0.208 19147 2759 1 11 . 1 1 48 48 CYS C C 48 175.920 175.920 175.375 0.545 19147 2760 1 11 . 1 1 48 48 CYS CA C 48 57.997 57.997 58.118 -0.121 19147 2761 1 11 . 1 1 48 48 CYS CB C 48 32.109 32.109 27.996 4.113 19147 2762 1 11 . 1 1 48 48 CYS H H 48 8.244 8.244 8.288 -0.044 19147 2763 1 11 . 1 1 49 49 LEU N N 49 118.590 118.590 120.046 -1.456 19147 2764 1 11 . 1 1 49 49 LEU HA H 49 4.247 4.247 4.264 -0.017 19147 2765 1 11 . 1 1 49 49 LEU C C 49 176.916 176.916 176.334 0.582 19147 2766 1 11 . 1 1 49 49 LEU CA C 49 56.333 56.333 55.932 0.401 19147 2767 1 11 . 1 1 49 49 LEU CB C 49 36.861 36.861 39.101 -2.240 19147 2768 1 11 . 1 1 49 49 LEU H H 49 8.181 8.181 8.130 0.051 19147 2769 1 11 . 1 1 50 50 CYS N N 50 115.484 115.484 116.987 -1.503 19147 2770 1 11 . 1 1 50 50 CYS HA H 50 4.938 4.938 4.735 0.203 19147 2771 1 11 . 1 1 50 50 CYS C C 50 173.194 173.194 173.910 -0.716 19147 2772 1 11 . 1 1 50 50 CYS CA C 50 57.589 57.589 55.932 1.657 19147 2773 1 11 . 1 1 50 50 CYS CB C 50 30.662 30.662 31.462 -0.800 19147 2774 1 11 . 1 1 50 50 CYS H H 50 8.001 8.001 7.844 0.157 19147 2775 1 11 . 1 1 51 51 ASN N N 51 116.975 116.975 119.720 -2.745 19147 2776 1 11 . 1 1 51 51 ASN HA H 51 4.427 4.427 4.696 -0.269 19147 2777 1 11 . 1 1 51 51 ASN C C 51 174.640 174.640 175.220 -0.580 19147 2778 1 11 . 1 1 51 51 ASN CA C 51 54.190 54.190 54.511 -0.321 19147 2779 1 11 . 1 1 51 51 ASN CB C 51 38.421 38.421 38.377 0.044 19147 2780 1 11 . 1 1 51 51 ASN H H 51 8.453 8.453 8.837 -0.384 19147 2781 1 11 . 1 1 52 52 TYR N N 52 123.645 123.645 126.894 -3.249 19147 2782 1 11 . 1 1 52 52 TYR HA H 52 3.628 3.628 4.303 -0.675 19147 2783 1 11 . 1 1 52 52 TYR C C 52 173.953 173.953 175.274 -1.321 19147 2784 1 11 . 1 1 52 52 TYR CA C 52 61.742 61.742 59.274 2.468 19147 2785 1 11 . 1 1 52 52 TYR CB C 52 37.030 37.030 39.293 -2.263 19147 2786 1 11 . 1 1 52 52 TYR H H 52 8.903 8.903 8.408 0.495 19147 2787 1 11 . 1 1 53 53 HIS N N 53 123.135 123.135 124.836 -1.701 19147 2788 1 11 . 1 1 53 53 HIS HA H 53 4.673 4.673 4.296 0.377 19147 2789 1 11 . 1 1 53 53 HIS C C 53 173.360 173.360 174.696 -1.336 19147 2790 1 11 . 1 1 53 53 HIS CA C 53 51.116 51.116 57.605 -6.489 19147 2791 1 11 . 1 1 53 53 HIS CB C 53 29.297 29.297 28.162 1.135 19147 2792 1 11 . 1 1 53 53 HIS H H 53 5.918 5.918 8.069 -2.151 19147 2793 1 11 . 1 1 54 54 THR N N 54 110.786 110.786 117.765 -6.979 19147 2794 1 11 . 1 1 54 54 THR HA H 54 3.786 3.786 4.568 -0.782 19147 2795 1 11 . 1 1 54 54 THR C C 54 175.778 175.778 176.169 -0.391 19147 2796 1 11 . 1 1 54 54 THR CA C 54 62.088 62.088 62.155 -0.067 19147 2797 1 11 . 1 1 54 54 THR CB C 54 68.634 68.634 69.807 -1.173 19147 2798 1 11 . 1 1 54 54 THR H H 54 7.632 7.632 8.201 -0.569 19147 2799 1 11 . 1 1 55 55 THR N N 55 113.157 113.157 117.810 -4.653 19147 2800 1 11 . 1 1 55 55 THR HA H 55 4.656 4.656 4.208 0.448 19147 2801 1 11 . 1 1 55 55 THR C C 55 175.209 175.209 175.280 -0.071 19147 2802 1 11 . 1 1 55 55 THR CA C 55 60.909 60.909 64.984 -4.075 19147 2803 1 11 . 1 1 55 55 THR CB C 55 68.720 68.720 69.072 -0.352 19147 2804 1 11 . 1 1 55 55 THR H H 55 7.746 7.746 8.558 -0.812 19147 2805 1 11 . 1 1 56 56 LYS N N 56 122.548 122.548 118.892 3.656 19147 2806 1 11 . 1 1 56 56 LYS HA H 56 4.247 4.247 4.404 -0.157 19147 2807 1 11 . 1 1 56 56 LYS C C 56 176.726 176.726 175.116 1.610 19147 2808 1 11 . 1 1 56 56 LYS CA C 56 56.714 56.714 56.501 0.213 19147 2809 1 11 . 1 1 56 56 LYS CB C 56 32.279 32.279 33.225 -0.946 19147 2810 1 11 . 1 1 56 56 LYS H H 56 8.344 8.344 8.225 0.119 19147 2811 1 11 . 1 1 57 57 ASP N N 57 119.260 119.260 118.244 1.016 19147 2812 1 11 . 1 1 57 57 ASP HA H 57 4.684 4.684 4.923 -0.239 19147 2813 1 11 . 1 1 57 57 ASP C C 57 176.323 176.323 176.797 -0.474 19147 2814 1 11 . 1 1 57 57 ASP CA C 57 53.331 53.331 53.434 -0.103 19147 2815 1 11 . 1 1 57 57 ASP CB C 57 41.168 41.168 42.243 -1.075 19147 2816 1 11 . 1 1 57 57 ASP H H 57 8.201 8.201 8.290 -0.089 19147 2817 1 12 . 1 1 14 14 LEU N N 14 123.914 123.914 123.211 0.703 19147 2818 1 12 . 1 1 14 14 LEU HA H 14 4.914 4.914 4.609 0.305 19147 2819 1 12 . 1 1 14 14 LEU C C 14 176.963 176.963 176.804 0.159 19147 2820 1 12 . 1 1 14 14 LEU CA C 14 54.055 54.055 54.569 -0.514 19147 2821 1 12 . 1 1 14 14 LEU CB C 14 44.013 44.013 42.822 1.191 19147 2822 1 12 . 1 1 14 14 LEU H H 14 8.089 8.089 8.528 -0.439 19147 2823 1 12 . 1 1 15 15 LYS N N 15 121.013 121.013 119.685 1.328 19147 2824 1 12 . 1 1 15 15 LYS HA H 15 4.323 4.323 4.374 -0.051 19147 2825 1 12 . 1 1 15 15 LYS C C 15 174.711 174.711 175.452 -0.741 19147 2826 1 12 . 1 1 15 15 LYS CA C 15 53.956 53.956 55.249 -1.293 19147 2827 1 12 . 1 1 15 15 LYS CB C 15 35.171 35.171 33.320 1.851 19147 2828 1 12 . 1 1 15 15 LYS H H 15 8.548 8.548 8.204 0.344 19147 2829 1 12 . 1 1 16 16 ALA N N 16 124.835 124.835 121.844 2.991 19147 2830 1 12 . 1 1 16 16 ALA HA H 16 4.424 4.424 4.739 -0.315 19147 2831 1 12 . 1 1 16 16 ALA C C 16 176.513 176.513 177.629 -1.116 19147 2832 1 12 . 1 1 16 16 ALA CA C 16 50.701 50.701 50.714 -0.013 19147 2833 1 12 . 1 1 16 16 ALA CB C 16 19.404 19.404 19.349 0.054 19147 2834 1 12 . 1 1 16 16 ALA H H 16 8.119 8.119 8.315 -0.196 19147 2835 1 12 . 1 1 17 17 CYS N N 17 125.963 125.963 124.039 1.924 19147 2836 1 12 . 1 1 17 17 CYS HA H 17 4.530 4.530 4.288 0.242 19147 2837 1 12 . 1 1 17 17 CYS C C 17 179.428 179.428 177.162 2.266 19147 2838 1 12 . 1 1 17 17 CYS CA C 17 59.687 59.687 59.714 -0.027 19147 2839 1 12 . 1 1 17 17 CYS CB C 17 31.087 31.087 29.810 1.277 19147 2840 1 12 . 1 1 17 17 CYS H H 17 9.517 9.517 8.195 1.322 19147 2841 1 12 . 1 1 18 18 ILE N N 18 124.917 124.917 120.935 3.982 19147 2842 1 12 . 1 1 18 18 ILE HA H 18 4.039 4.039 4.149 -0.110 19147 2843 1 12 . 1 1 18 18 ILE C C 18 175.825 175.825 175.935 -0.110 19147 2844 1 12 . 1 1 18 18 ILE CA C 18 62.353 62.353 62.849 -0.496 19147 2845 1 12 . 1 1 18 18 ILE CB C 18 37.671 37.671 37.620 0.051 19147 2846 1 12 . 1 1 18 18 ILE H H 18 7.244 7.244 8.523 -1.279 19147 2847 1 12 . 1 1 19 19 ARG N N 19 124.247 124.247 121.783 2.464 19147 2848 1 12 . 1 1 19 19 ARG HA H 19 4.235 4.235 4.238 -0.003 19147 2849 1 12 . 1 1 19 19 ARG C C 19 177.413 177.413 176.400 1.013 19147 2850 1 12 . 1 1 19 19 ARG CA C 19 57.820 57.820 58.035 -0.215 19147 2851 1 12 . 1 1 19 19 ARG CB C 19 31.496 31.496 30.780 0.716 19147 2852 1 12 . 1 1 19 19 ARG H H 19 9.392 9.392 8.184 1.208 19147 2853 1 12 . 1 1 20 20 CYS N N 20 118.959 118.959 115.469 3.490 19147 2854 1 12 . 1 1 20 20 CYS HA H 20 4.933 4.933 4.934 -0.001 19147 2855 1 12 . 1 1 20 20 CYS C C 20 178.409 178.409 173.758 4.651 19147 2856 1 12 . 1 1 20 20 CYS CA C 20 58.663 58.663 56.920 1.743 19147 2857 1 12 . 1 1 20 20 CYS CB C 20 32.067 32.067 29.459 2.608 19147 2858 1 12 . 1 1 20 20 CYS H H 20 8.541 8.541 7.761 0.780 19147 2859 1 12 . 1 1 21 21 ASN N N 21 120.450 120.450 118.736 1.714 19147 2860 1 12 . 1 1 21 21 ASN HA H 21 4.422 4.422 4.412 0.010 19147 2861 1 12 . 1 1 21 21 ASN C C 21 174.237 174.237 174.492 -0.255 19147 2862 1 12 . 1 1 21 21 ASN CA C 21 55.172 55.172 54.028 1.144 19147 2863 1 12 . 1 1 21 21 ASN CB C 21 38.545 38.545 36.934 1.611 19147 2864 1 12 . 1 1 21 21 ASN H H 21 8.533 8.533 8.125 0.408 19147 2865 1 12 . 1 1 22 22 SER N N 22 119.717 119.717 114.469 5.248 19147 2866 1 12 . 1 1 22 22 SER HA H 22 4.643 4.643 4.627 0.016 19147 2867 1 12 . 1 1 22 22 SER CA C 22 58.269 58.269 56.682 1.587 19147 2868 1 12 . 1 1 22 22 SER CB C 22 61.998 61.998 64.821 -2.823 19147 2869 1 12 . 1 1 22 22 SER H H 22 8.742 8.742 8.204 0.538 19147 2870 1 12 . 1 1 23 23 PRO HA H 23 4.375 4.375 4.866 -0.491 19147 2871 1 12 . 1 1 23 23 PRO CA C 23 64.211 64.211 62.824 1.387 19147 2872 1 12 . 1 1 23 23 PRO CB C 23 31.883 31.883 30.560 1.323 19147 2873 1 12 . 1 1 24 24 ALA N N 24 126.670 126.670 128.575 -1.905 19147 2874 1 12 . 1 1 24 24 ALA HA H 24 4.756 4.756 4.606 0.150 19147 2875 1 12 . 1 1 24 24 ALA C C 24 176.157 176.157 176.572 -0.415 19147 2876 1 12 . 1 1 24 24 ALA CA C 24 49.817 49.817 50.165 -0.348 19147 2877 1 12 . 1 1 24 24 ALA CB C 24 19.920 19.920 21.221 -1.301 19147 2878 1 12 . 1 1 24 24 ALA H H 24 8.732 8.732 8.254 0.478 19147 2879 1 12 . 1 1 25 25 LYS N N 25 122.456 122.456 127.302 -4.846 19147 2880 1 12 . 1 1 25 25 LYS HA H 25 4.260 4.260 4.016 0.244 19147 2881 1 12 . 1 1 25 25 LYS C C 25 175.612 175.612 175.121 0.491 19147 2882 1 12 . 1 1 25 25 LYS CA C 25 56.269 56.269 56.231 0.038 19147 2883 1 12 . 1 1 25 25 LYS CB C 25 32.912 32.912 32.401 0.511 19147 2884 1 12 . 1 1 25 25 LYS H H 25 8.045 8.045 8.305 -0.260 19147 2885 1 12 . 1 1 26 26 TYR N N 26 128.452 128.452 129.591 -1.139 19147 2886 1 12 . 1 1 26 26 TYR HA H 26 5.275 5.275 4.762 0.513 19147 2887 1 12 . 1 1 26 26 TYR C C 26 173.550 173.550 175.255 -1.705 19147 2888 1 12 . 1 1 26 26 TYR CA C 26 54.572 54.572 56.164 -1.592 19147 2889 1 12 . 1 1 26 26 TYR CB C 26 40.463 40.463 39.351 1.112 19147 2890 1 12 . 1 1 26 26 TYR H H 26 8.734 8.734 8.143 0.591 19147 2891 1 12 . 1 1 27 27 ASP N N 27 129.563 129.563 129.270 0.293 19147 2892 1 12 . 1 1 27 27 ASP HA H 27 4.525 4.525 4.769 -0.244 19147 2893 1 12 . 1 1 27 27 ASP C C 27 175.920 175.920 176.050 -0.130 19147 2894 1 12 . 1 1 27 27 ASP CA C 27 51.470 51.470 52.531 -1.061 19147 2895 1 12 . 1 1 27 27 ASP CB C 27 42.426 42.426 41.953 0.473 19147 2896 1 12 . 1 1 27 27 ASP H H 27 8.714 8.714 8.929 -0.215 19147 2897 1 12 . 1 1 28 28 CYS N N 28 122.534 122.534 123.490 -0.956 19147 2898 1 12 . 1 1 28 28 CYS HA H 28 3.753 3.753 4.058 -0.305 19147 2899 1 12 . 1 1 28 28 CYS C C 28 175.043 175.043 174.910 0.133 19147 2900 1 12 . 1 1 28 28 CYS CA C 28 58.504 58.504 60.010 -1.506 19147 2901 1 12 . 1 1 28 28 CYS CB C 28 26.501 26.501 27.629 -1.128 19147 2902 1 12 . 1 1 28 28 CYS H H 28 8.226 8.226 8.157 0.069 19147 2903 1 12 . 1 1 29 29 TYR N N 29 123.853 123.853 119.648 4.205 19147 2904 1 12 . 1 1 29 29 TYR HA H 29 4.319 4.319 4.207 0.112 19147 2905 1 12 . 1 1 29 29 TYR C C 29 177.722 177.722 176.290 1.432 19147 2906 1 12 . 1 1 29 29 TYR CA C 29 59.695 59.695 60.406 -0.711 19147 2907 1 12 . 1 1 29 29 TYR CB C 29 37.305 37.305 38.600 -1.295 19147 2908 1 12 . 1 1 29 29 TYR H H 29 8.206 8.206 7.708 0.498 19147 2909 1 12 . 1 1 30 30 LEU N N 30 117.184 117.184 115.133 2.051 19147 2910 1 12 . 1 1 30 30 LEU HA H 30 4.068 4.068 4.640 -0.572 19147 2911 1 12 . 1 1 30 30 LEU C C 30 177.058 177.058 175.449 1.609 19147 2912 1 12 . 1 1 30 30 LEU CA C 30 53.970 53.970 54.159 -0.189 19147 2913 1 12 . 1 1 30 30 LEU CB C 30 42.216 42.216 42.610 -0.394 19147 2914 1 12 . 1 1 30 30 LEU H H 30 7.681 7.681 7.563 0.118 19147 2915 1 12 . 1 1 31 31 GLN N N 31 115.267 115.267 115.932 -0.665 19147 2916 1 12 . 1 1 31 31 GLN HA H 31 3.551 3.551 4.185 -0.634 19147 2917 1 12 . 1 1 31 31 GLN C C 31 173.739 173.739 174.906 -1.167 19147 2918 1 12 . 1 1 31 31 GLN CA C 31 57.133 57.133 57.309 -0.176 19147 2919 1 12 . 1 1 31 31 GLN CB C 31 25.119 25.119 26.084 -0.965 19147 2920 1 12 . 1 1 31 31 GLN H H 31 7.740 7.740 7.880 -0.140 19147 2921 1 12 . 1 1 32 32 ARG N N 32 120.485 120.485 114.854 5.631 19147 2922 1 12 . 1 1 32 32 ARG HA H 32 5.053 5.053 5.219 -0.166 19147 2923 1 12 . 1 1 32 32 ARG C C 32 173.384 173.384 173.622 -0.238 19147 2924 1 12 . 1 1 32 32 ARG CA C 32 52.928 52.928 54.060 -1.132 19147 2925 1 12 . 1 1 32 32 ARG CB C 32 36.499 36.499 34.496 2.003 19147 2926 1 12 . 1 1 32 32 ARG H H 32 7.213 7.213 7.900 -0.687 19147 2927 1 12 . 1 1 33 33 ALA N N 33 130.237 130.237 124.634 5.603 19147 2928 1 12 . 1 1 33 33 ALA HA H 33 5.295 5.295 5.326 -0.031 19147 2929 1 12 . 1 1 33 33 ALA C C 33 174.522 174.522 175.344 -0.822 19147 2930 1 12 . 1 1 33 33 ALA CA C 33 49.099 49.099 49.397 -0.298 19147 2931 1 12 . 1 1 33 33 ALA CB C 33 20.309 20.309 22.288 -1.979 19147 2932 1 12 . 1 1 33 33 ALA H H 33 8.763 8.763 8.610 0.153 19147 2933 1 12 . 1 1 34 34 THR N N 34 114.351 114.351 116.376 -2.025 19147 2934 1 12 . 1 1 34 34 THR HA H 34 4.904 4.904 4.920 -0.016 19147 2935 1 12 . 1 1 34 34 THR C C 34 173.597 173.597 174.304 -0.707 19147 2936 1 12 . 1 1 34 34 THR CA C 34 60.450 60.450 59.698 0.752 19147 2937 1 12 . 1 1 34 34 THR CB C 34 70.553 70.553 69.802 0.751 19147 2938 1 12 . 1 1 34 34 THR H H 34 8.269 8.269 8.035 0.234 19147 2939 1 12 . 1 1 35 35 CYS N N 35 133.180 133.180 126.846 6.334 19147 2940 1 12 . 1 1 35 35 CYS HA H 35 3.909 3.909 4.119 -0.210 19147 2941 1 12 . 1 1 35 35 CYS C C 35 175.825 175.825 175.013 0.812 19147 2942 1 12 . 1 1 35 35 CYS CA C 35 61.216 61.216 60.350 0.866 19147 2943 1 12 . 1 1 35 35 CYS CB C 35 31.563 31.563 28.731 2.832 19147 2944 1 12 . 1 1 35 35 CYS H H 35 9.133 9.133 8.414 0.719 19147 2945 1 12 . 1 1 36 36 LYS N N 36 125.753 125.753 128.244 -2.491 19147 2946 1 12 . 1 1 36 36 LYS HA H 36 4.324 4.324 4.359 -0.035 19147 2947 1 12 . 1 1 36 36 LYS C C 36 176.323 176.323 175.397 0.926 19147 2948 1 12 . 1 1 36 36 LYS CA C 36 55.921 55.921 54.956 0.965 19147 2949 1 12 . 1 1 36 36 LYS CB C 36 32.422 32.422 31.593 0.829 19147 2950 1 12 . 1 1 36 36 LYS H H 36 8.343 8.343 8.094 0.249 19147 2951 1 12 . 1 1 37 37 ARG N N 37 127.726 127.726 120.311 7.415 19147 2952 1 12 . 1 1 37 37 ARG HA H 37 4.133 4.133 4.543 -0.410 19147 2953 1 12 . 1 1 37 37 ARG C C 37 177.650 177.650 177.148 0.502 19147 2954 1 12 . 1 1 37 37 ARG CA C 37 56.595 56.595 55.211 1.384 19147 2955 1 12 . 1 1 37 37 ARG CB C 37 30.759 30.759 31.858 -1.099 19147 2956 1 12 . 1 1 37 37 ARG H H 37 9.381 9.381 7.377 2.004 19147 2957 1 12 . 1 1 38 38 GLU N N 38 131.710 131.710 127.415 4.295 19147 2958 1 12 . 1 1 38 38 GLU HA H 38 3.933 3.933 4.094 -0.161 19147 2959 1 12 . 1 1 38 38 GLU C C 38 177.342 177.342 176.978 0.364 19147 2960 1 12 . 1 1 38 38 GLU CA C 38 58.288 58.288 58.668 -0.380 19147 2961 1 12 . 1 1 38 38 GLU CB C 38 28.628 28.628 29.593 -0.965 19147 2962 1 12 . 1 1 38 38 GLU H H 38 9.079 9.079 9.123 -0.044 19147 2963 1 12 . 1 1 39 39 GLY N N 39 112.546 112.546 105.781 6.765 19147 2964 1 12 . 1 1 39 39 GLY C C 39 173.431 173.431 174.386 -0.955 19147 2965 1 12 . 1 1 39 39 GLY CA C 39 44.725 44.725 45.865 -1.140 19147 2966 1 12 . 1 1 39 39 GLY H H 39 8.693 8.693 8.389 0.304 19147 2967 1 12 . 1 1 40 40 CYS N N 40 123.383 123.383 118.141 5.242 19147 2968 1 12 . 1 1 40 40 CYS HA H 40 4.492 4.492 4.773 -0.281 19147 2969 1 12 . 1 1 40 40 CYS C C 40 175.659 175.659 175.169 0.490 19147 2970 1 12 . 1 1 40 40 CYS CA C 40 59.558 59.558 59.406 0.152 19147 2971 1 12 . 1 1 40 40 CYS CB C 40 30.181 30.181 30.944 -0.763 19147 2972 1 12 . 1 1 40 40 CYS H H 40 7.838 7.838 7.784 0.054 19147 2973 1 12 . 1 1 41 41 GLY N N 41 108.697 108.697 109.598 -0.901 19147 2974 1 12 . 1 1 41 41 GLY C C 41 174.261 174.261 173.527 0.734 19147 2975 1 12 . 1 1 41 41 GLY CA C 41 46.283 46.283 46.228 0.055 19147 2976 1 12 . 1 1 41 41 GLY H H 41 8.109 8.109 8.163 -0.054 19147 2977 1 12 . 1 1 42 42 PHE N N 42 124.198 124.198 116.295 7.903 19147 2978 1 12 . 1 1 42 42 PHE HA H 42 4.579 4.579 4.932 -0.353 19147 2979 1 12 . 1 1 42 42 PHE C C 42 172.886 172.886 173.685 -0.799 19147 2980 1 12 . 1 1 42 42 PHE CA C 42 58.164 58.164 54.539 3.625 19147 2981 1 12 . 1 1 42 42 PHE CB C 42 38.872 38.872 41.249 -2.377 19147 2982 1 12 . 1 1 42 42 PHE H H 42 8.140 8.140 7.728 0.412 19147 2983 1 12 . 1 1 43 43 ASP N N 43 129.158 129.158 122.299 6.859 19147 2984 1 12 . 1 1 43 43 ASP HA H 43 5.377 5.377 4.936 0.441 19147 2985 1 12 . 1 1 43 43 ASP C C 43 175.493 175.493 175.468 0.025 19147 2986 1 12 . 1 1 43 43 ASP CA C 43 51.991 51.991 53.858 -1.867 19147 2987 1 12 . 1 1 43 43 ASP CB C 43 42.089 42.089 42.148 -0.059 19147 2988 1 12 . 1 1 43 43 ASP H H 43 7.830 7.830 8.580 -0.750 19147 2989 1 12 . 1 1 44 44 TYR N N 44 121.015 121.015 118.072 2.943 19147 2990 1 12 . 1 1 44 44 TYR HA H 44 5.072 5.072 5.066 0.006 19147 2991 1 12 . 1 1 44 44 TYR C C 44 173.882 173.882 173.664 0.218 19147 2992 1 12 . 1 1 44 44 TYR CA C 44 54.551 54.551 56.441 -1.890 19147 2993 1 12 . 1 1 44 44 TYR CB C 44 41.061 41.061 39.964 1.097 19147 2994 1 12 . 1 1 44 44 TYR H H 44 9.264 9.264 8.265 0.999 19147 2995 1 12 . 1 1 45 45 CYS N N 45 121.008 121.008 120.584 0.424 19147 2996 1 12 . 1 1 45 45 CYS HA H 45 5.157 5.157 5.013 0.144 19147 2997 1 12 . 1 1 45 45 CYS C C 45 178.385 178.385 175.774 2.611 19147 2998 1 12 . 1 1 45 45 CYS CA C 45 56.934 56.934 59.708 -2.774 19147 2999 1 12 . 1 1 45 45 CYS CB C 45 31.953 31.953 29.357 2.596 19147 3000 1 12 . 1 1 45 45 CYS H H 45 8.420 8.420 8.968 -0.548 19147 3001 1 12 . 1 1 46 46 THR N N 46 120.657 120.657 121.588 -0.931 19147 3002 1 12 . 1 1 46 46 THR HA H 46 4.090 4.090 4.224 -0.134 19147 3003 1 12 . 1 1 46 46 THR C C 46 174.593 174.593 175.274 -0.681 19147 3004 1 12 . 1 1 46 46 THR CA C 46 64.084 64.084 64.251 -0.167 19147 3005 1 12 . 1 1 46 46 THR CB C 46 66.577 66.577 68.640 -2.063 19147 3006 1 12 . 1 1 46 46 THR H H 46 8.518 8.518 8.598 -0.080 19147 3007 1 12 . 1 1 47 47 LYS N N 47 124.516 124.516 120.323 4.193 19147 3008 1 12 . 1 1 47 47 LYS HA H 47 4.377 4.377 4.143 0.234 19147 3009 1 12 . 1 1 47 47 LYS C C 47 177.319 177.319 177.551 -0.232 19147 3010 1 12 . 1 1 47 47 LYS CA C 47 58.163 58.163 58.960 -0.797 19147 3011 1 12 . 1 1 47 47 LYS CB C 47 32.753 32.753 32.440 0.313 19147 3012 1 12 . 1 1 47 47 LYS H H 47 9.452 9.452 8.287 1.165 19147 3013 1 12 . 1 1 48 48 CYS N N 48 116.543 116.543 114.664 1.879 19147 3014 1 12 . 1 1 48 48 CYS HA H 48 4.817 4.817 4.785 0.032 19147 3015 1 12 . 1 1 48 48 CYS C C 48 175.920 175.920 175.397 0.523 19147 3016 1 12 . 1 1 48 48 CYS CA C 48 57.997 57.997 57.769 0.228 19147 3017 1 12 . 1 1 48 48 CYS CB C 48 32.109 32.109 28.997 3.112 19147 3018 1 12 . 1 1 48 48 CYS H H 48 8.244 8.244 8.026 0.218 19147 3019 1 12 . 1 1 49 49 LEU N N 49 118.590 118.590 121.501 -2.911 19147 3020 1 12 . 1 1 49 49 LEU HA H 49 4.247 4.247 4.333 -0.086 19147 3021 1 12 . 1 1 49 49 LEU C C 49 176.916 176.916 176.239 0.677 19147 3022 1 12 . 1 1 49 49 LEU CA C 49 56.333 56.333 56.053 0.280 19147 3023 1 12 . 1 1 49 49 LEU CB C 49 36.861 36.861 38.926 -2.065 19147 3024 1 12 . 1 1 49 49 LEU H H 49 8.181 8.181 8.057 0.124 19147 3025 1 12 . 1 1 50 50 CYS N N 50 115.484 115.484 116.160 -0.676 19147 3026 1 12 . 1 1 50 50 CYS HA H 50 4.938 4.938 4.676 0.262 19147 3027 1 12 . 1 1 50 50 CYS C C 50 173.194 173.194 174.270 -1.076 19147 3028 1 12 . 1 1 50 50 CYS CA C 50 57.589 57.589 56.429 1.160 19147 3029 1 12 . 1 1 50 50 CYS CB C 50 30.662 30.662 31.662 -1.000 19147 3030 1 12 . 1 1 50 50 CYS H H 50 8.001 8.001 7.722 0.279 19147 3031 1 12 . 1 1 51 51 ASN N N 51 116.975 116.975 119.249 -2.274 19147 3032 1 12 . 1 1 51 51 ASN HA H 51 4.427 4.427 4.709 -0.282 19147 3033 1 12 . 1 1 51 51 ASN C C 51 174.640 174.640 175.253 -0.613 19147 3034 1 12 . 1 1 51 51 ASN CA C 51 54.190 54.190 54.479 -0.289 19147 3035 1 12 . 1 1 51 51 ASN CB C 51 38.421 38.421 38.744 -0.323 19147 3036 1 12 . 1 1 51 51 ASN H H 51 8.453 8.453 8.758 -0.305 19147 3037 1 12 . 1 1 52 52 TYR N N 52 123.645 123.645 124.636 -0.991 19147 3038 1 12 . 1 1 52 52 TYR HA H 52 3.628 3.628 4.285 -0.657 19147 3039 1 12 . 1 1 52 52 TYR C C 52 173.953 173.953 176.746 -2.793 19147 3040 1 12 . 1 1 52 52 TYR CA C 52 61.742 61.742 59.796 1.946 19147 3041 1 12 . 1 1 52 52 TYR CB C 52 37.030 37.030 39.773 -2.743 19147 3042 1 12 . 1 1 52 52 TYR H H 52 8.903 8.903 8.324 0.579 19147 3043 1 12 . 1 1 53 53 HIS N N 53 123.135 123.135 118.723 4.412 19147 3044 1 12 . 1 1 53 53 HIS HA H 53 4.673 4.673 4.718 -0.045 19147 3045 1 12 . 1 1 53 53 HIS C C 53 173.360 173.360 175.199 -1.839 19147 3046 1 12 . 1 1 53 53 HIS CA C 53 51.116 51.116 56.891 -5.775 19147 3047 1 12 . 1 1 53 53 HIS CB C 53 29.297 29.297 29.679 -0.382 19147 3048 1 12 . 1 1 53 53 HIS H H 53 5.918 5.918 8.104 -2.186 19147 3049 1 12 . 1 1 54 54 THR N N 54 110.786 110.786 112.554 -1.768 19147 3050 1 12 . 1 1 54 54 THR HA H 54 3.786 3.786 4.496 -0.710 19147 3051 1 12 . 1 1 54 54 THR C C 54 175.778 175.778 176.016 -0.238 19147 3052 1 12 . 1 1 54 54 THR CA C 54 62.088 62.088 63.776 -1.688 19147 3053 1 12 . 1 1 54 54 THR CB C 54 68.634 68.634 69.430 -0.796 19147 3054 1 12 . 1 1 54 54 THR H H 54 7.632 7.632 7.940 -0.308 19147 3055 1 12 . 1 1 55 55 THR N N 55 113.157 113.157 114.168 -1.011 19147 3056 1 12 . 1 1 55 55 THR HA H 55 4.656 4.656 4.341 0.315 19147 3057 1 12 . 1 1 55 55 THR C C 55 175.209 175.209 174.818 0.391 19147 3058 1 12 . 1 1 55 55 THR CA C 55 60.909 60.909 63.813 -2.904 19147 3059 1 12 . 1 1 55 55 THR CB C 55 68.720 68.720 69.371 -0.650 19147 3060 1 12 . 1 1 55 55 THR H H 55 7.746 7.746 8.202 -0.456 19147 3061 1 12 . 1 1 56 56 LYS N N 56 122.548 122.548 117.571 4.977 19147 3062 1 12 . 1 1 56 56 LYS HA H 56 4.247 4.247 4.435 -0.188 19147 3063 1 12 . 1 1 56 56 LYS C C 56 176.726 176.726 174.046 2.680 19147 3064 1 12 . 1 1 56 56 LYS CA C 56 56.714 56.714 55.825 0.889 19147 3065 1 12 . 1 1 56 56 LYS CB C 56 32.279 32.279 33.896 -1.617 19147 3066 1 12 . 1 1 56 56 LYS H H 56 8.344 8.344 7.555 0.789 19147 3067 1 12 . 1 1 57 57 ASP N N 57 119.260 119.260 122.011 -2.751 19147 3068 1 12 . 1 1 57 57 ASP HA H 57 4.684 4.684 4.557 0.127 19147 3069 1 12 . 1 1 57 57 ASP C C 57 176.323 176.323 176.485 -0.162 19147 3070 1 12 . 1 1 57 57 ASP CA C 57 53.331 53.331 54.945 -1.614 19147 3071 1 12 . 1 1 57 57 ASP CB C 57 41.168 41.168 40.071 1.097 19147 3072 1 12 . 1 1 57 57 ASP H H 57 8.201 8.201 8.362 -0.161 19147 3073 1 13 . 1 1 14 14 LEU N N 14 123.914 123.914 123.256 0.658 19147 3074 1 13 . 1 1 14 14 LEU HA H 14 4.914 4.914 4.710 0.204 19147 3075 1 13 . 1 1 14 14 LEU C C 14 176.963 176.963 177.214 -0.251 19147 3076 1 13 . 1 1 14 14 LEU CA C 14 54.055 54.055 54.525 -0.470 19147 3077 1 13 . 1 1 14 14 LEU CB C 14 44.013 44.013 42.330 1.683 19147 3078 1 13 . 1 1 14 14 LEU H H 14 8.089 8.089 7.820 0.269 19147 3079 1 13 . 1 1 15 15 LYS N N 15 121.013 121.013 122.140 -1.127 19147 3080 1 13 . 1 1 15 15 LYS HA H 15 4.323 4.323 4.442 -0.119 19147 3081 1 13 . 1 1 15 15 LYS C C 15 174.711 174.711 175.722 -1.011 19147 3082 1 13 . 1 1 15 15 LYS CA C 15 53.956 53.956 54.270 -0.314 19147 3083 1 13 . 1 1 15 15 LYS CB C 15 35.171 35.171 32.959 2.212 19147 3084 1 13 . 1 1 15 15 LYS H H 15 8.548 8.548 8.212 0.336 19147 3085 1 13 . 1 1 16 16 ALA N N 16 124.835 124.835 129.252 -4.417 19147 3086 1 13 . 1 1 16 16 ALA HA H 16 4.424 4.424 4.362 0.062 19147 3087 1 13 . 1 1 16 16 ALA C C 16 176.513 176.513 177.733 -1.220 19147 3088 1 13 . 1 1 16 16 ALA CA C 16 50.701 50.701 52.161 -1.460 19147 3089 1 13 . 1 1 16 16 ALA CB C 16 19.404 19.404 18.393 1.011 19147 3090 1 13 . 1 1 16 16 ALA H H 16 8.119 8.119 8.585 -0.466 19147 3091 1 13 . 1 1 17 17 CYS N N 17 125.963 125.963 123.064 2.899 19147 3092 1 13 . 1 1 17 17 CYS HA H 17 4.530 4.530 4.267 0.263 19147 3093 1 13 . 1 1 17 17 CYS C C 17 179.428 179.428 177.123 2.305 19147 3094 1 13 . 1 1 17 17 CYS CA C 17 59.687 59.687 59.051 0.636 19147 3095 1 13 . 1 1 17 17 CYS CB C 17 31.087 31.087 29.448 1.639 19147 3096 1 13 . 1 1 17 17 CYS H H 17 9.517 9.517 7.990 1.527 19147 3097 1 13 . 1 1 18 18 ILE N N 18 124.917 124.917 120.827 4.090 19147 3098 1 13 . 1 1 18 18 ILE HA H 18 4.039 4.039 4.179 -0.140 19147 3099 1 13 . 1 1 18 18 ILE C C 18 175.825 175.825 176.048 -0.223 19147 3100 1 13 . 1 1 18 18 ILE CA C 18 62.353 62.353 62.663 -0.310 19147 3101 1 13 . 1 1 18 18 ILE CB C 18 37.671 37.671 37.830 -0.159 19147 3102 1 13 . 1 1 18 18 ILE H H 18 7.244 7.244 8.506 -1.262 19147 3103 1 13 . 1 1 19 19 ARG N N 19 124.247 124.247 121.176 3.071 19147 3104 1 13 . 1 1 19 19 ARG HA H 19 4.235 4.235 4.333 -0.098 19147 3105 1 13 . 1 1 19 19 ARG C C 19 177.413 177.413 176.698 0.715 19147 3106 1 13 . 1 1 19 19 ARG CA C 19 57.820 57.820 58.122 -0.302 19147 3107 1 13 . 1 1 19 19 ARG CB C 19 31.496 31.496 31.186 0.310 19147 3108 1 13 . 1 1 19 19 ARG H H 19 9.392 9.392 8.360 1.032 19147 3109 1 13 . 1 1 20 20 CYS N N 20 118.959 118.959 114.685 4.274 19147 3110 1 13 . 1 1 20 20 CYS HA H 20 4.933 4.933 4.875 0.058 19147 3111 1 13 . 1 1 20 20 CYS C C 20 178.409 178.409 173.920 4.489 19147 3112 1 13 . 1 1 20 20 CYS CA C 20 58.663 58.663 57.420 1.243 19147 3113 1 13 . 1 1 20 20 CYS CB C 20 32.067 32.067 30.320 1.747 19147 3114 1 13 . 1 1 20 20 CYS H H 20 8.541 8.541 8.195 0.346 19147 3115 1 13 . 1 1 21 21 ASN N N 21 120.450 120.450 120.171 0.279 19147 3116 1 13 . 1 1 21 21 ASN HA H 21 4.422 4.422 4.473 -0.051 19147 3117 1 13 . 1 1 21 21 ASN C C 21 174.237 174.237 173.941 0.296 19147 3118 1 13 . 1 1 21 21 ASN CA C 21 55.172 55.172 54.527 0.645 19147 3119 1 13 . 1 1 21 21 ASN CB C 21 38.545 38.545 37.359 1.186 19147 3120 1 13 . 1 1 21 21 ASN H H 21 8.533 8.533 8.079 0.454 19147 3121 1 13 . 1 1 22 22 SER N N 22 119.717 119.717 112.854 6.863 19147 3122 1 13 . 1 1 22 22 SER HA H 22 4.643 4.643 4.773 -0.130 19147 3123 1 13 . 1 1 22 22 SER CA C 22 58.269 58.269 56.376 1.893 19147 3124 1 13 . 1 1 22 22 SER CB C 22 61.998 61.998 63.994 -1.996 19147 3125 1 13 . 1 1 22 22 SER H H 22 8.742 8.742 8.135 0.607 19147 3126 1 13 . 1 1 23 23 PRO HA H 23 4.375 4.375 4.461 -0.086 19147 3127 1 13 . 1 1 23 23 PRO CA C 23 64.211 64.211 62.854 1.357 19147 3128 1 13 . 1 1 23 23 PRO CB C 23 31.883 31.883 30.593 1.290 19147 3129 1 13 . 1 1 24 24 ALA N N 24 126.670 126.670 128.224 -1.554 19147 3130 1 13 . 1 1 24 24 ALA HA H 24 4.756 4.756 4.703 0.053 19147 3131 1 13 . 1 1 24 24 ALA C C 24 176.157 176.157 176.765 -0.608 19147 3132 1 13 . 1 1 24 24 ALA CA C 24 49.817 49.817 50.050 -0.233 19147 3133 1 13 . 1 1 24 24 ALA CB C 24 19.920 19.920 21.541 -1.621 19147 3134 1 13 . 1 1 24 24 ALA H H 24 8.732 8.732 8.161 0.571 19147 3135 1 13 . 1 1 25 25 LYS N N 25 122.456 122.456 126.193 -3.737 19147 3136 1 13 . 1 1 25 25 LYS HA H 25 4.260 4.260 4.152 0.108 19147 3137 1 13 . 1 1 25 25 LYS C C 25 175.612 175.612 175.335 0.277 19147 3138 1 13 . 1 1 25 25 LYS CA C 25 56.269 56.269 55.260 1.009 19147 3139 1 13 . 1 1 25 25 LYS CB C 25 32.912 32.912 32.008 0.904 19147 3140 1 13 . 1 1 25 25 LYS H H 25 8.045 8.045 8.338 -0.293 19147 3141 1 13 . 1 1 26 26 TYR N N 26 128.452 128.452 130.143 -1.691 19147 3142 1 13 . 1 1 26 26 TYR HA H 26 5.275 5.275 4.663 0.612 19147 3143 1 13 . 1 1 26 26 TYR C C 26 173.550 173.550 175.561 -2.011 19147 3144 1 13 . 1 1 26 26 TYR CA C 26 54.572 54.572 57.465 -2.893 19147 3145 1 13 . 1 1 26 26 TYR CB C 26 40.463 40.463 39.245 1.218 19147 3146 1 13 . 1 1 26 26 TYR H H 26 8.734 8.734 8.209 0.525 19147 3147 1 13 . 1 1 27 27 ASP N N 27 129.563 129.563 128.227 1.336 19147 3148 1 13 . 1 1 27 27 ASP HA H 27 4.525 4.525 4.775 -0.250 19147 3149 1 13 . 1 1 27 27 ASP C C 27 175.920 175.920 176.284 -0.364 19147 3150 1 13 . 1 1 27 27 ASP CA C 27 51.470 51.470 52.551 -1.081 19147 3151 1 13 . 1 1 27 27 ASP CB C 27 42.426 42.426 41.601 0.825 19147 3152 1 13 . 1 1 27 27 ASP H H 27 8.714 8.714 8.765 -0.051 19147 3153 1 13 . 1 1 28 28 CYS N N 28 122.534 122.534 121.631 0.903 19147 3154 1 13 . 1 1 28 28 CYS HA H 28 3.753 3.753 3.958 -0.205 19147 3155 1 13 . 1 1 28 28 CYS C C 28 175.043 175.043 175.005 0.038 19147 3156 1 13 . 1 1 28 28 CYS CA C 28 58.504 58.504 59.980 -1.476 19147 3157 1 13 . 1 1 28 28 CYS CB C 28 26.501 26.501 27.298 -0.797 19147 3158 1 13 . 1 1 28 28 CYS H H 28 8.226 8.226 8.175 0.051 19147 3159 1 13 . 1 1 29 29 TYR N N 29 123.853 123.853 120.088 3.765 19147 3160 1 13 . 1 1 29 29 TYR HA H 29 4.319 4.319 4.207 0.112 19147 3161 1 13 . 1 1 29 29 TYR C C 29 177.722 177.722 176.199 1.523 19147 3162 1 13 . 1 1 29 29 TYR CA C 29 59.695 59.695 60.415 -0.720 19147 3163 1 13 . 1 1 29 29 TYR CB C 29 37.305 37.305 38.644 -1.339 19147 3164 1 13 . 1 1 29 29 TYR H H 29 8.206 8.206 7.668 0.538 19147 3165 1 13 . 1 1 30 30 LEU N N 30 117.184 117.184 115.264 1.920 19147 3166 1 13 . 1 1 30 30 LEU HA H 30 4.068 4.068 4.637 -0.569 19147 3167 1 13 . 1 1 30 30 LEU C C 30 177.058 177.058 175.543 1.515 19147 3168 1 13 . 1 1 30 30 LEU CA C 30 53.970 53.970 54.248 -0.278 19147 3169 1 13 . 1 1 30 30 LEU CB C 30 42.216 42.216 42.780 -0.564 19147 3170 1 13 . 1 1 30 30 LEU H H 30 7.681 7.681 7.558 0.123 19147 3171 1 13 . 1 1 31 31 GLN N N 31 115.267 115.267 115.583 -0.316 19147 3172 1 13 . 1 1 31 31 GLN HA H 31 3.551 3.551 4.133 -0.582 19147 3173 1 13 . 1 1 31 31 GLN C C 31 173.739 173.739 174.926 -1.187 19147 3174 1 13 . 1 1 31 31 GLN CA C 31 57.133 57.133 57.405 -0.272 19147 3175 1 13 . 1 1 31 31 GLN CB C 31 25.119 25.119 25.997 -0.878 19147 3176 1 13 . 1 1 31 31 GLN H H 31 7.740 7.740 7.855 -0.115 19147 3177 1 13 . 1 1 32 32 ARG N N 32 120.485 120.485 115.166 5.319 19147 3178 1 13 . 1 1 32 32 ARG HA H 32 5.053 5.053 4.985 0.068 19147 3179 1 13 . 1 1 32 32 ARG C C 32 173.384 173.384 173.502 -0.118 19147 3180 1 13 . 1 1 32 32 ARG CA C 32 52.928 52.928 54.016 -1.088 19147 3181 1 13 . 1 1 32 32 ARG CB C 32 36.499 36.499 34.596 1.903 19147 3182 1 13 . 1 1 32 32 ARG H H 32 7.213 7.213 7.856 -0.643 19147 3183 1 13 . 1 1 33 33 ALA N N 33 130.237 130.237 122.267 7.970 19147 3184 1 13 . 1 1 33 33 ALA HA H 33 5.295 5.295 5.254 0.041 19147 3185 1 13 . 1 1 33 33 ALA C C 33 174.522 174.522 175.278 -0.756 19147 3186 1 13 . 1 1 33 33 ALA CA C 33 49.099 49.099 49.851 -0.752 19147 3187 1 13 . 1 1 33 33 ALA CB C 33 20.309 20.309 22.419 -2.110 19147 3188 1 13 . 1 1 33 33 ALA H H 33 8.763 8.763 8.739 0.024 19147 3189 1 13 . 1 1 34 34 THR N N 34 114.351 114.351 116.924 -2.573 19147 3190 1 13 . 1 1 34 34 THR HA H 34 4.904 4.904 4.831 0.073 19147 3191 1 13 . 1 1 34 34 THR C C 34 173.597 173.597 174.522 -0.925 19147 3192 1 13 . 1 1 34 34 THR CA C 34 60.450 60.450 59.935 0.515 19147 3193 1 13 . 1 1 34 34 THR CB C 34 70.553 70.553 69.615 0.938 19147 3194 1 13 . 1 1 34 34 THR H H 34 8.269 8.269 7.929 0.340 19147 3195 1 13 . 1 1 35 35 CYS N N 35 133.180 133.180 128.071 5.109 19147 3196 1 13 . 1 1 35 35 CYS HA H 35 3.909 3.909 4.169 -0.260 19147 3197 1 13 . 1 1 35 35 CYS C C 35 175.825 175.825 175.459 0.366 19147 3198 1 13 . 1 1 35 35 CYS CA C 35 61.216 61.216 60.200 1.016 19147 3199 1 13 . 1 1 35 35 CYS CB C 35 31.563 31.563 28.791 2.772 19147 3200 1 13 . 1 1 35 35 CYS H H 35 9.133 9.133 8.495 0.638 19147 3201 1 13 . 1 1 36 36 LYS N N 36 125.753 125.753 128.632 -2.879 19147 3202 1 13 . 1 1 36 36 LYS HA H 36 4.324 4.324 4.141 0.183 19147 3203 1 13 . 1 1 36 36 LYS C C 36 176.323 176.323 176.817 -0.494 19147 3204 1 13 . 1 1 36 36 LYS CA C 36 55.921 55.921 56.367 -0.446 19147 3205 1 13 . 1 1 36 36 LYS CB C 36 32.422 32.422 32.344 0.078 19147 3206 1 13 . 1 1 36 36 LYS H H 36 8.343 8.343 8.093 0.250 19147 3207 1 13 . 1 1 37 37 ARG N N 37 127.726 127.726 122.149 5.577 19147 3208 1 13 . 1 1 37 37 ARG HA H 37 4.133 4.133 4.216 -0.083 19147 3209 1 13 . 1 1 37 37 ARG C C 37 177.650 177.650 178.272 -0.622 19147 3210 1 13 . 1 1 37 37 ARG CA C 37 56.595 56.595 56.487 0.108 19147 3211 1 13 . 1 1 37 37 ARG CB C 37 30.759 30.759 30.574 0.185 19147 3212 1 13 . 1 1 37 37 ARG H H 37 9.381 9.381 7.648 1.733 19147 3213 1 13 . 1 1 38 38 GLU N N 38 131.710 131.710 126.391 5.319 19147 3214 1 13 . 1 1 38 38 GLU HA H 38 3.933 3.933 4.081 -0.148 19147 3215 1 13 . 1 1 38 38 GLU C C 38 177.342 177.342 177.059 0.283 19147 3216 1 13 . 1 1 38 38 GLU CA C 38 58.288 58.288 58.835 -0.547 19147 3217 1 13 . 1 1 38 38 GLU CB C 38 28.628 28.628 28.933 -0.305 19147 3218 1 13 . 1 1 38 38 GLU H H 38 9.079 9.079 8.731 0.348 19147 3219 1 13 . 1 1 39 39 GLY N N 39 112.546 112.546 108.054 4.492 19147 3220 1 13 . 1 1 39 39 GLY C C 39 173.431 173.431 174.540 -1.109 19147 3221 1 13 . 1 1 39 39 GLY CA C 39 44.725 44.725 46.156 -1.431 19147 3222 1 13 . 1 1 39 39 GLY H H 39 8.693 8.693 8.392 0.301 19147 3223 1 13 . 1 1 40 40 CYS N N 40 123.383 123.383 118.552 4.831 19147 3224 1 13 . 1 1 40 40 CYS HA H 40 4.492 4.492 4.658 -0.166 19147 3225 1 13 . 1 1 40 40 CYS C C 40 175.659 175.659 175.191 0.468 19147 3226 1 13 . 1 1 40 40 CYS CA C 40 59.558 59.558 60.091 -0.533 19147 3227 1 13 . 1 1 40 40 CYS CB C 40 30.181 30.181 30.524 -0.343 19147 3228 1 13 . 1 1 40 40 CYS H H 40 7.838 7.838 7.785 0.053 19147 3229 1 13 . 1 1 41 41 GLY N N 41 108.697 108.697 109.378 -0.681 19147 3230 1 13 . 1 1 41 41 GLY C C 41 174.261 174.261 173.697 0.564 19147 3231 1 13 . 1 1 41 41 GLY CA C 41 46.283 46.283 46.166 0.117 19147 3232 1 13 . 1 1 41 41 GLY H H 41 8.109 8.109 8.154 -0.045 19147 3233 1 13 . 1 1 42 42 PHE N N 42 124.198 124.198 117.159 7.039 19147 3234 1 13 . 1 1 42 42 PHE HA H 42 4.579 4.579 4.925 -0.346 19147 3235 1 13 . 1 1 42 42 PHE C C 42 172.886 172.886 173.731 -0.845 19147 3236 1 13 . 1 1 42 42 PHE CA C 42 58.164 58.164 54.476 3.688 19147 3237 1 13 . 1 1 42 42 PHE CB C 42 38.872 38.872 41.636 -2.764 19147 3238 1 13 . 1 1 42 42 PHE H H 42 8.140 8.140 7.758 0.382 19147 3239 1 13 . 1 1 43 43 ASP N N 43 129.158 129.158 121.116 8.042 19147 3240 1 13 . 1 1 43 43 ASP HA H 43 5.377 5.377 4.604 0.773 19147 3241 1 13 . 1 1 43 43 ASP C C 43 175.493 175.493 175.063 0.430 19147 3242 1 13 . 1 1 43 43 ASP CA C 43 51.991 51.991 53.565 -1.574 19147 3243 1 13 . 1 1 43 43 ASP CB C 43 42.089 42.089 42.273 -0.184 19147 3244 1 13 . 1 1 43 43 ASP H H 43 7.830 7.830 8.536 -0.706 19147 3245 1 13 . 1 1 44 44 TYR N N 44 121.015 121.015 116.078 4.937 19147 3246 1 13 . 1 1 44 44 TYR HA H 44 5.072 5.072 5.066 0.006 19147 3247 1 13 . 1 1 44 44 TYR C C 44 173.882 173.882 173.704 0.178 19147 3248 1 13 . 1 1 44 44 TYR CA C 44 54.551 54.551 56.787 -2.236 19147 3249 1 13 . 1 1 44 44 TYR CB C 44 41.061 41.061 39.378 1.683 19147 3250 1 13 . 1 1 44 44 TYR H H 44 9.264 9.264 7.672 1.592 19147 3251 1 13 . 1 1 45 45 CYS N N 45 121.008 121.008 121.093 -0.085 19147 3252 1 13 . 1 1 45 45 CYS HA H 45 5.157 5.157 4.796 0.361 19147 3253 1 13 . 1 1 45 45 CYS C C 45 178.385 178.385 176.080 2.305 19147 3254 1 13 . 1 1 45 45 CYS CA C 45 56.934 56.934 60.370 -3.436 19147 3255 1 13 . 1 1 45 45 CYS CB C 45 31.953 31.953 30.143 1.810 19147 3256 1 13 . 1 1 45 45 CYS H H 45 8.420 8.420 8.911 -0.491 19147 3257 1 13 . 1 1 46 46 THR N N 46 120.657 120.657 118.910 1.747 19147 3258 1 13 . 1 1 46 46 THR HA H 46 4.090 4.090 4.269 -0.179 19147 3259 1 13 . 1 1 46 46 THR C C 46 174.593 174.593 175.408 -0.815 19147 3260 1 13 . 1 1 46 46 THR CA C 46 64.084 64.084 64.574 -0.490 19147 3261 1 13 . 1 1 46 46 THR CB C 46 66.577 66.577 68.650 -2.073 19147 3262 1 13 . 1 1 46 46 THR H H 46 8.518 8.518 8.887 -0.369 19147 3263 1 13 . 1 1 47 47 LYS N N 47 124.516 124.516 120.876 3.640 19147 3264 1 13 . 1 1 47 47 LYS HA H 47 4.377 4.377 4.219 0.158 19147 3265 1 13 . 1 1 47 47 LYS C C 47 177.319 177.319 177.909 -0.590 19147 3266 1 13 . 1 1 47 47 LYS CA C 47 58.163 58.163 58.759 -0.596 19147 3267 1 13 . 1 1 47 47 LYS CB C 47 32.753 32.753 32.265 0.488 19147 3268 1 13 . 1 1 47 47 LYS H H 47 9.452 9.452 8.136 1.316 19147 3269 1 13 . 1 1 48 48 CYS N N 48 116.543 116.543 115.218 1.325 19147 3270 1 13 . 1 1 48 48 CYS HA H 48 4.817 4.817 4.564 0.253 19147 3271 1 13 . 1 1 48 48 CYS C C 48 175.920 175.920 175.706 0.214 19147 3272 1 13 . 1 1 48 48 CYS CA C 48 57.997 57.997 58.087 -0.090 19147 3273 1 13 . 1 1 48 48 CYS CB C 48 32.109 32.109 28.438 3.671 19147 3274 1 13 . 1 1 48 48 CYS H H 48 8.244 8.244 8.099 0.145 19147 3275 1 13 . 1 1 49 49 LEU N N 49 118.590 118.590 120.435 -1.845 19147 3276 1 13 . 1 1 49 49 LEU HA H 49 4.247 4.247 4.437 -0.190 19147 3277 1 13 . 1 1 49 49 LEU C C 49 176.916 176.916 176.057 0.859 19147 3278 1 13 . 1 1 49 49 LEU CA C 49 56.333 56.333 55.654 0.679 19147 3279 1 13 . 1 1 49 49 LEU CB C 49 36.861 36.861 39.226 -2.365 19147 3280 1 13 . 1 1 49 49 LEU H H 49 8.181 8.181 7.676 0.505 19147 3281 1 13 . 1 1 50 50 CYS N N 50 115.484 115.484 116.996 -1.512 19147 3282 1 13 . 1 1 50 50 CYS HA H 50 4.938 4.938 4.757 0.181 19147 3283 1 13 . 1 1 50 50 CYS C C 50 173.194 173.194 174.016 -0.822 19147 3284 1 13 . 1 1 50 50 CYS CA C 50 57.589 57.589 56.787 0.802 19147 3285 1 13 . 1 1 50 50 CYS CB C 50 30.662 30.662 31.315 -0.653 19147 3286 1 13 . 1 1 50 50 CYS H H 50 8.001 8.001 7.672 0.329 19147 3287 1 13 . 1 1 51 51 ASN N N 51 116.975 116.975 119.602 -2.627 19147 3288 1 13 . 1 1 51 51 ASN HA H 51 4.427 4.427 4.689 -0.262 19147 3289 1 13 . 1 1 51 51 ASN C C 51 174.640 174.640 174.857 -0.217 19147 3290 1 13 . 1 1 51 51 ASN CA C 51 54.190 54.190 54.398 -0.208 19147 3291 1 13 . 1 1 51 51 ASN CB C 51 38.421 38.421 38.550 -0.129 19147 3292 1 13 . 1 1 51 51 ASN H H 51 8.453 8.453 8.677 -0.224 19147 3293 1 13 . 1 1 52 52 TYR N N 52 123.645 123.645 125.527 -1.882 19147 3294 1 13 . 1 1 52 52 TYR HA H 52 3.628 3.628 4.355 -0.727 19147 3295 1 13 . 1 1 52 52 TYR C C 52 173.953 173.953 176.811 -2.858 19147 3296 1 13 . 1 1 52 52 TYR CA C 52 61.742 61.742 59.858 1.885 19147 3297 1 13 . 1 1 52 52 TYR CB C 52 37.030 37.030 39.279 -2.249 19147 3298 1 13 . 1 1 52 52 TYR H H 52 8.903 8.903 8.300 0.603 19147 3299 1 13 . 1 1 53 53 HIS N N 53 123.135 123.135 122.438 0.697 19147 3300 1 13 . 1 1 53 53 HIS HA H 53 4.673 4.673 4.364 0.309 19147 3301 1 13 . 1 1 53 53 HIS C C 53 173.360 173.360 176.345 -2.985 19147 3302 1 13 . 1 1 53 53 HIS CA C 53 51.116 51.116 58.145 -7.029 19147 3303 1 13 . 1 1 53 53 HIS CB C 53 29.297 29.297 29.550 -0.253 19147 3304 1 13 . 1 1 53 53 HIS H H 53 5.918 5.918 7.954 -2.036 19147 3305 1 13 . 1 1 54 54 THR N N 54 110.786 110.786 111.601 -0.815 19147 3306 1 13 . 1 1 54 54 THR HA H 54 3.786 3.786 4.150 -0.364 19147 3307 1 13 . 1 1 54 54 THR C C 54 175.778 175.778 173.986 1.792 19147 3308 1 13 . 1 1 54 54 THR CA C 54 62.088 62.088 63.020 -0.932 19147 3309 1 13 . 1 1 54 54 THR CB C 54 68.634 68.634 67.526 1.108 19147 3310 1 13 . 1 1 54 54 THR H H 54 7.632 7.632 8.497 -0.865 19147 3311 1 13 . 1 1 55 55 THR N N 55 113.157 113.157 108.866 4.291 19147 3312 1 13 . 1 1 55 55 THR HA H 55 4.656 4.656 3.936 0.720 19147 3313 1 13 . 1 1 55 55 THR C C 55 175.209 175.209 173.343 1.866 19147 3314 1 13 . 1 1 55 55 THR CA C 55 60.909 60.909 63.589 -2.680 19147 3315 1 13 . 1 1 55 55 THR CB C 55 68.720 68.720 68.262 0.458 19147 3316 1 13 . 1 1 55 55 THR H H 55 7.746 7.746 8.607 -0.861 19147 3317 1 13 . 1 1 56 56 LYS N N 56 122.548 122.548 119.833 2.715 19147 3318 1 13 . 1 1 56 56 LYS HA H 56 4.247 4.247 4.553 -0.306 19147 3319 1 13 . 1 1 56 56 LYS C C 56 176.726 176.726 175.355 1.371 19147 3320 1 13 . 1 1 56 56 LYS CA C 56 56.714 56.714 54.814 1.900 19147 3321 1 13 . 1 1 56 56 LYS CB C 56 32.279 32.279 34.836 -2.557 19147 3322 1 13 . 1 1 56 56 LYS H H 56 8.344 8.344 7.939 0.405 19147 3323 1 13 . 1 1 57 57 ASP N N 57 119.260 119.260 124.208 -4.948 19147 3324 1 13 . 1 1 57 57 ASP HA H 57 4.684 4.684 4.378 0.306 19147 3325 1 13 . 1 1 57 57 ASP C C 57 176.323 176.323 176.846 -0.523 19147 3326 1 13 . 1 1 57 57 ASP CA C 57 53.331 53.331 55.420 -2.089 19147 3327 1 13 . 1 1 57 57 ASP CB C 57 41.168 41.168 40.545 0.623 19147 3328 1 13 . 1 1 57 57 ASP H H 57 8.201 8.201 8.682 -0.481 19147 3329 1 14 . 1 1 14 14 LEU N N 14 123.914 123.914 123.113 0.801 19147 3330 1 14 . 1 1 14 14 LEU HA H 14 4.914 4.914 4.533 0.381 19147 3331 1 14 . 1 1 14 14 LEU C C 14 176.963 176.963 176.881 0.082 19147 3332 1 14 . 1 1 14 14 LEU CA C 14 54.055 54.055 54.503 -0.448 19147 3333 1 14 . 1 1 14 14 LEU CB C 14 44.013 44.013 42.975 1.038 19147 3334 1 14 . 1 1 14 14 LEU H H 14 8.089 8.089 7.824 0.265 19147 3335 1 14 . 1 1 15 15 LYS N N 15 121.013 121.013 119.538 1.475 19147 3336 1 14 . 1 1 15 15 LYS HA H 15 4.323 4.323 4.425 -0.102 19147 3337 1 14 . 1 1 15 15 LYS C C 15 174.711 174.711 175.496 -0.785 19147 3338 1 14 . 1 1 15 15 LYS CA C 15 53.956 53.956 54.705 -0.749 19147 3339 1 14 . 1 1 15 15 LYS CB C 15 35.171 35.171 32.982 2.189 19147 3340 1 14 . 1 1 15 15 LYS H H 15 8.548 8.548 8.295 0.253 19147 3341 1 14 . 1 1 16 16 ALA N N 16 124.835 124.835 121.952 2.883 19147 3342 1 14 . 1 1 16 16 ALA HA H 16 4.424 4.424 4.779 -0.355 19147 3343 1 14 . 1 1 16 16 ALA C C 16 176.513 176.513 177.020 -0.507 19147 3344 1 14 . 1 1 16 16 ALA CA C 16 50.701 50.701 50.514 0.188 19147 3345 1 14 . 1 1 16 16 ALA CB C 16 19.404 19.404 19.249 0.155 19147 3346 1 14 . 1 1 16 16 ALA H H 16 8.119 8.119 8.314 -0.195 19147 3347 1 14 . 1 1 17 17 CYS N N 17 125.963 125.963 122.580 3.383 19147 3348 1 14 . 1 1 17 17 CYS HA H 17 4.530 4.530 4.261 0.269 19147 3349 1 14 . 1 1 17 17 CYS C C 17 179.428 179.428 177.105 2.323 19147 3350 1 14 . 1 1 17 17 CYS CA C 17 59.687 59.687 60.148 -0.461 19147 3351 1 14 . 1 1 17 17 CYS CB C 17 31.087 31.087 29.783 1.304 19147 3352 1 14 . 1 1 17 17 CYS H H 17 9.517 9.517 8.073 1.444 19147 3353 1 14 . 1 1 18 18 ILE N N 18 124.917 124.917 121.342 3.575 19147 3354 1 14 . 1 1 18 18 ILE HA H 18 4.039 4.039 4.182 -0.143 19147 3355 1 14 . 1 1 18 18 ILE C C 18 175.825 175.825 175.890 -0.065 19147 3356 1 14 . 1 1 18 18 ILE CA C 18 62.353 62.353 62.913 -0.559 19147 3357 1 14 . 1 1 18 18 ILE CB C 18 37.671 37.671 37.296 0.375 19147 3358 1 14 . 1 1 18 18 ILE H H 18 7.244 7.244 8.524 -1.280 19147 3359 1 14 . 1 1 19 19 ARG N N 19 124.247 124.247 122.947 1.300 19147 3360 1 14 . 1 1 19 19 ARG HA H 19 4.235 4.235 4.268 -0.033 19147 3361 1 14 . 1 1 19 19 ARG C C 19 177.413 177.413 176.581 0.832 19147 3362 1 14 . 1 1 19 19 ARG CA C 19 57.820 57.820 58.318 -0.498 19147 3363 1 14 . 1 1 19 19 ARG CB C 19 31.496 31.496 30.905 0.591 19147 3364 1 14 . 1 1 19 19 ARG H H 19 9.392 9.392 8.129 1.263 19147 3365 1 14 . 1 1 20 20 CYS N N 20 118.959 118.959 114.971 3.988 19147 3366 1 14 . 1 1 20 20 CYS HA H 20 4.933 4.933 4.924 0.009 19147 3367 1 14 . 1 1 20 20 CYS C C 20 178.409 178.409 173.694 4.715 19147 3368 1 14 . 1 1 20 20 CYS CA C 20 58.663 58.663 56.842 1.821 19147 3369 1 14 . 1 1 20 20 CYS CB C 20 32.067 32.067 29.430 2.636 19147 3370 1 14 . 1 1 20 20 CYS H H 20 8.541 8.541 7.778 0.763 19147 3371 1 14 . 1 1 21 21 ASN N N 21 120.450 120.450 118.589 1.861 19147 3372 1 14 . 1 1 21 21 ASN HA H 21 4.422 4.422 4.430 -0.008 19147 3373 1 14 . 1 1 21 21 ASN C C 21 174.237 174.237 173.898 0.339 19147 3374 1 14 . 1 1 21 21 ASN CA C 21 55.172 55.172 53.954 1.218 19147 3375 1 14 . 1 1 21 21 ASN CB C 21 38.545 38.545 36.428 2.117 19147 3376 1 14 . 1 1 21 21 ASN H H 21 8.533 8.533 8.038 0.495 19147 3377 1 14 . 1 1 22 22 SER N N 22 119.717 119.717 114.657 5.060 19147 3378 1 14 . 1 1 22 22 SER HA H 22 4.643 4.643 4.637 0.006 19147 3379 1 14 . 1 1 22 22 SER CA C 22 58.269 58.269 56.029 2.240 19147 3380 1 14 . 1 1 22 22 SER CB C 22 61.998 61.998 65.151 -3.154 19147 3381 1 14 . 1 1 22 22 SER H H 22 8.742 8.742 8.038 0.704 19147 3382 1 14 . 1 1 23 23 PRO HA H 23 4.375 4.375 4.774 -0.399 19147 3383 1 14 . 1 1 23 23 PRO CA C 23 64.211 64.211 62.890 1.321 19147 3384 1 14 . 1 1 23 23 PRO CB C 23 31.883 31.883 30.900 0.983 19147 3385 1 14 . 1 1 24 24 ALA N N 24 126.670 126.670 129.017 -2.347 19147 3386 1 14 . 1 1 24 24 ALA HA H 24 4.756 4.756 4.729 0.027 19147 3387 1 14 . 1 1 24 24 ALA C C 24 176.157 176.157 176.759 -0.602 19147 3388 1 14 . 1 1 24 24 ALA CA C 24 49.817 49.817 49.941 -0.124 19147 3389 1 14 . 1 1 24 24 ALA CB C 24 19.920 19.920 21.334 -1.413 19147 3390 1 14 . 1 1 24 24 ALA H H 24 8.732 8.732 8.257 0.475 19147 3391 1 14 . 1 1 25 25 LYS N N 25 122.456 122.456 127.267 -4.811 19147 3392 1 14 . 1 1 25 25 LYS HA H 25 4.260 4.260 4.065 0.195 19147 3393 1 14 . 1 1 25 25 LYS C C 25 175.612 175.612 175.410 0.202 19147 3394 1 14 . 1 1 25 25 LYS CA C 25 56.269 56.269 56.981 -0.712 19147 3395 1 14 . 1 1 25 25 LYS CB C 25 32.912 32.912 32.783 0.129 19147 3396 1 14 . 1 1 25 25 LYS H H 25 8.045 8.045 8.249 -0.204 19147 3397 1 14 . 1 1 26 26 TYR N N 26 128.452 128.452 128.422 0.030 19147 3398 1 14 . 1 1 26 26 TYR HA H 26 5.275 5.275 4.633 0.642 19147 3399 1 14 . 1 1 26 26 TYR C C 26 173.550 173.550 175.145 -1.595 19147 3400 1 14 . 1 1 26 26 TYR CA C 26 54.572 54.572 56.652 -2.080 19147 3401 1 14 . 1 1 26 26 TYR CB C 26 40.463 40.463 39.292 1.171 19147 3402 1 14 . 1 1 26 26 TYR H H 26 8.734 8.734 8.278 0.456 19147 3403 1 14 . 1 1 27 27 ASP N N 27 129.563 129.563 130.096 -0.533 19147 3404 1 14 . 1 1 27 27 ASP HA H 27 4.525 4.525 4.724 -0.199 19147 3405 1 14 . 1 1 27 27 ASP C C 27 175.920 175.920 176.624 -0.704 19147 3406 1 14 . 1 1 27 27 ASP CA C 27 51.470 51.470 52.124 -0.654 19147 3407 1 14 . 1 1 27 27 ASP CB C 27 42.426 42.426 41.117 1.309 19147 3408 1 14 . 1 1 27 27 ASP H H 27 8.714 8.714 8.812 -0.098 19147 3409 1 14 . 1 1 28 28 CYS N N 28 122.534 122.534 122.331 0.203 19147 3410 1 14 . 1 1 28 28 CYS HA H 28 3.753 3.753 4.005 -0.252 19147 3411 1 14 . 1 1 28 28 CYS C C 28 175.043 175.043 175.466 -0.423 19147 3412 1 14 . 1 1 28 28 CYS CA C 28 58.504 58.504 59.584 -1.079 19147 3413 1 14 . 1 1 28 28 CYS CB C 28 26.501 26.501 26.051 0.450 19147 3414 1 14 . 1 1 28 28 CYS H H 28 8.226 8.226 8.082 0.144 19147 3415 1 14 . 1 1 29 29 TYR N N 29 123.853 123.853 120.214 3.639 19147 3416 1 14 . 1 1 29 29 TYR HA H 29 4.319 4.319 4.190 0.129 19147 3417 1 14 . 1 1 29 29 TYR C C 29 177.722 177.722 176.465 1.257 19147 3418 1 14 . 1 1 29 29 TYR CA C 29 59.695 59.695 60.899 -1.204 19147 3419 1 14 . 1 1 29 29 TYR CB C 29 37.305 37.305 38.707 -1.402 19147 3420 1 14 . 1 1 29 29 TYR H H 29 8.206 8.206 7.898 0.308 19147 3421 1 14 . 1 1 30 30 LEU N N 30 117.184 117.184 114.561 2.623 19147 3422 1 14 . 1 1 30 30 LEU HA H 30 4.068 4.068 4.651 -0.583 19147 3423 1 14 . 1 1 30 30 LEU C C 30 177.058 177.058 175.582 1.476 19147 3424 1 14 . 1 1 30 30 LEU CA C 30 53.970 53.970 54.039 -0.069 19147 3425 1 14 . 1 1 30 30 LEU CB C 30 42.216 42.216 42.620 -0.404 19147 3426 1 14 . 1 1 30 30 LEU H H 30 7.681 7.681 7.675 0.006 19147 3427 1 14 . 1 1 31 31 GLN N N 31 115.267 115.267 116.265 -0.998 19147 3428 1 14 . 1 1 31 31 GLN HA H 31 3.551 3.551 4.145 -0.594 19147 3429 1 14 . 1 1 31 31 GLN C C 31 173.739 173.739 174.399 -0.660 19147 3430 1 14 . 1 1 31 31 GLN CA C 31 57.133 57.133 57.271 -0.138 19147 3431 1 14 . 1 1 31 31 GLN CB C 31 25.119 25.119 26.144 -1.025 19147 3432 1 14 . 1 1 31 31 GLN H H 31 7.740 7.740 8.131 -0.391 19147 3433 1 14 . 1 1 32 32 ARG N N 32 120.485 120.485 114.399 6.086 19147 3434 1 14 . 1 1 32 32 ARG HA H 32 5.053 5.053 5.202 -0.149 19147 3435 1 14 . 1 1 32 32 ARG C C 32 173.384 173.384 174.057 -0.673 19147 3436 1 14 . 1 1 32 32 ARG CA C 32 52.928 52.928 53.871 -0.943 19147 3437 1 14 . 1 1 32 32 ARG CB C 32 36.499 36.499 34.080 2.419 19147 3438 1 14 . 1 1 32 32 ARG H H 32 7.213 7.213 7.795 -0.582 19147 3439 1 14 . 1 1 33 33 ALA N N 33 130.237 130.237 124.807 5.430 19147 3440 1 14 . 1 1 33 33 ALA HA H 33 5.295 5.295 5.298 -0.003 19147 3441 1 14 . 1 1 33 33 ALA C C 33 174.522 174.522 175.681 -1.159 19147 3442 1 14 . 1 1 33 33 ALA CA C 33 49.099 49.099 49.321 -0.222 19147 3443 1 14 . 1 1 33 33 ALA CB C 33 20.309 20.309 21.778 -1.469 19147 3444 1 14 . 1 1 33 33 ALA H H 33 8.763 8.763 8.793 -0.030 19147 3445 1 14 . 1 1 34 34 THR N N 34 114.351 114.351 116.851 -2.500 19147 3446 1 14 . 1 1 34 34 THR HA H 34 4.904 4.904 4.782 0.122 19147 3447 1 14 . 1 1 34 34 THR C C 34 173.597 173.597 174.364 -0.767 19147 3448 1 14 . 1 1 34 34 THR CA C 34 60.450 60.450 60.010 0.440 19147 3449 1 14 . 1 1 34 34 THR CB C 34 70.553 70.553 68.962 1.591 19147 3450 1 14 . 1 1 34 34 THR H H 34 8.269 8.269 8.350 -0.081 19147 3451 1 14 . 1 1 35 35 CYS N N 35 133.180 133.180 128.062 5.118 19147 3452 1 14 . 1 1 35 35 CYS HA H 35 3.909 3.909 4.101 -0.192 19147 3453 1 14 . 1 1 35 35 CYS C C 35 175.825 175.825 175.317 0.508 19147 3454 1 14 . 1 1 35 35 CYS CA C 35 61.216 61.216 60.661 0.555 19147 3455 1 14 . 1 1 35 35 CYS CB C 35 31.563 31.563 28.546 3.017 19147 3456 1 14 . 1 1 35 35 CYS H H 35 9.133 9.133 8.579 0.555 19147 3457 1 14 . 1 1 36 36 LYS N N 36 125.753 125.753 128.520 -2.767 19147 3458 1 14 . 1 1 36 36 LYS HA H 36 4.324 4.324 4.119 0.205 19147 3459 1 14 . 1 1 36 36 LYS C C 36 176.323 176.323 177.111 -0.788 19147 3460 1 14 . 1 1 36 36 LYS CA C 36 55.921 55.921 57.217 -1.296 19147 3461 1 14 . 1 1 36 36 LYS CB C 36 32.422 32.422 32.418 0.004 19147 3462 1 14 . 1 1 36 36 LYS H H 36 8.343 8.343 8.212 0.131 19147 3463 1 14 . 1 1 37 37 ARG N N 37 127.726 127.726 121.871 5.855 19147 3464 1 14 . 1 1 37 37 ARG HA H 37 4.133 4.133 4.202 -0.069 19147 3465 1 14 . 1 1 37 37 ARG C C 37 177.650 177.650 178.049 -0.399 19147 3466 1 14 . 1 1 37 37 ARG CA C 37 56.595 56.595 56.524 0.071 19147 3467 1 14 . 1 1 37 37 ARG CB C 37 30.759 30.759 30.520 0.239 19147 3468 1 14 . 1 1 37 37 ARG H H 37 9.381 9.381 7.651 1.730 19147 3469 1 14 . 1 1 38 38 GLU N N 38 131.710 131.710 125.763 5.947 19147 3470 1 14 . 1 1 38 38 GLU HA H 38 3.933 3.933 4.075 -0.142 19147 3471 1 14 . 1 1 38 38 GLU C C 38 177.342 177.342 177.598 -0.256 19147 3472 1 14 . 1 1 38 38 GLU CA C 38 58.288 58.288 59.208 -0.920 19147 3473 1 14 . 1 1 38 38 GLU CB C 38 28.628 28.628 29.141 -0.513 19147 3474 1 14 . 1 1 38 38 GLU H H 38 9.079 9.079 8.698 0.381 19147 3475 1 14 . 1 1 39 39 GLY N N 39 112.546 112.546 106.275 6.271 19147 3476 1 14 . 1 1 39 39 GLY C C 39 173.431 173.431 174.859 -1.428 19147 3477 1 14 . 1 1 39 39 GLY CA C 39 44.725 44.725 46.255 -1.530 19147 3478 1 14 . 1 1 39 39 GLY H H 39 8.693 8.693 8.370 0.323 19147 3479 1 14 . 1 1 40 40 CYS N N 40 123.383 123.383 118.572 4.811 19147 3480 1 14 . 1 1 40 40 CYS HA H 40 4.492 4.492 4.578 -0.086 19147 3481 1 14 . 1 1 40 40 CYS C C 40 175.659 175.659 175.335 0.324 19147 3482 1 14 . 1 1 40 40 CYS CA C 40 59.558 59.558 59.626 -0.068 19147 3483 1 14 . 1 1 40 40 CYS CB C 40 30.181 30.181 29.885 0.296 19147 3484 1 14 . 1 1 40 40 CYS H H 40 7.838 7.838 7.890 -0.052 19147 3485 1 14 . 1 1 41 41 GLY N N 41 108.697 108.697 109.818 -1.121 19147 3486 1 14 . 1 1 41 41 GLY C C 41 174.261 174.261 173.467 0.794 19147 3487 1 14 . 1 1 41 41 GLY CA C 41 46.283 46.283 46.376 -0.093 19147 3488 1 14 . 1 1 41 41 GLY H H 41 8.109 8.109 8.241 -0.132 19147 3489 1 14 . 1 1 42 42 PHE N N 42 124.198 124.198 116.429 7.769 19147 3490 1 14 . 1 1 42 42 PHE HA H 42 4.579 4.579 4.941 -0.362 19147 3491 1 14 . 1 1 42 42 PHE C C 42 172.886 172.886 173.706 -0.820 19147 3492 1 14 . 1 1 42 42 PHE CA C 42 58.164 58.164 54.074 4.090 19147 3493 1 14 . 1 1 42 42 PHE CB C 42 38.872 38.872 41.218 -2.346 19147 3494 1 14 . 1 1 42 42 PHE H H 42 8.140 8.140 7.528 0.612 19147 3495 1 14 . 1 1 43 43 ASP N N 43 129.158 129.158 120.908 8.250 19147 3496 1 14 . 1 1 43 43 ASP HA H 43 5.377 5.377 4.751 0.626 19147 3497 1 14 . 1 1 43 43 ASP C C 43 175.493 175.493 175.199 0.294 19147 3498 1 14 . 1 1 43 43 ASP CA C 43 51.991 51.991 53.285 -1.294 19147 3499 1 14 . 1 1 43 43 ASP CB C 43 42.089 42.089 42.343 -0.254 19147 3500 1 14 . 1 1 43 43 ASP H H 43 7.830 7.830 8.497 -0.667 19147 3501 1 14 . 1 1 44 44 TYR N N 44 121.015 121.015 117.131 3.884 19147 3502 1 14 . 1 1 44 44 TYR HA H 44 5.072 5.072 4.914 0.158 19147 3503 1 14 . 1 1 44 44 TYR C C 44 173.882 173.882 173.670 0.212 19147 3504 1 14 . 1 1 44 44 TYR CA C 44 54.551 54.551 56.419 -1.868 19147 3505 1 14 . 1 1 44 44 TYR CB C 44 41.061 41.061 39.644 1.417 19147 3506 1 14 . 1 1 44 44 TYR H H 44 9.264 9.264 7.823 1.441 19147 3507 1 14 . 1 1 45 45 CYS N N 45 121.008 121.008 122.271 -1.263 19147 3508 1 14 . 1 1 45 45 CYS HA H 45 5.157 5.157 4.837 0.320 19147 3509 1 14 . 1 1 45 45 CYS C C 45 178.385 178.385 176.110 2.275 19147 3510 1 14 . 1 1 45 45 CYS CA C 45 56.934 56.934 59.459 -2.525 19147 3511 1 14 . 1 1 45 45 CYS CB C 45 31.953 31.953 28.755 3.198 19147 3512 1 14 . 1 1 45 45 CYS H H 45 8.420 8.420 8.907 -0.487 19147 3513 1 14 . 1 1 46 46 THR N N 46 120.657 120.657 121.792 -1.135 19147 3514 1 14 . 1 1 46 46 THR HA H 46 4.090 4.090 4.131 -0.041 19147 3515 1 14 . 1 1 46 46 THR C C 46 174.593 174.593 174.856 -0.263 19147 3516 1 14 . 1 1 46 46 THR CA C 46 64.084 64.084 64.400 -0.316 19147 3517 1 14 . 1 1 46 46 THR CB C 46 66.577 66.577 68.587 -2.010 19147 3518 1 14 . 1 1 46 46 THR H H 46 8.518 8.518 8.509 0.009 19147 3519 1 14 . 1 1 47 47 LYS N N 47 124.516 124.516 121.385 3.131 19147 3520 1 14 . 1 1 47 47 LYS HA H 47 4.377 4.377 4.170 0.207 19147 3521 1 14 . 1 1 47 47 LYS C C 47 177.319 177.319 177.058 0.261 19147 3522 1 14 . 1 1 47 47 LYS CA C 47 58.163 58.163 58.954 -0.791 19147 3523 1 14 . 1 1 47 47 LYS CB C 47 32.753 32.753 32.124 0.629 19147 3524 1 14 . 1 1 47 47 LYS H H 47 9.452 9.452 8.452 1.000 19147 3525 1 14 . 1 1 48 48 CYS N N 48 116.543 116.543 115.350 1.193 19147 3526 1 14 . 1 1 48 48 CYS HA H 48 4.817 4.817 4.743 0.074 19147 3527 1 14 . 1 1 48 48 CYS C C 48 175.920 175.920 175.363 0.557 19147 3528 1 14 . 1 1 48 48 CYS CA C 48 57.997 57.997 56.691 1.306 19147 3529 1 14 . 1 1 48 48 CYS CB C 48 32.109 32.109 28.715 3.394 19147 3530 1 14 . 1 1 48 48 CYS H H 48 8.244 8.244 7.924 0.320 19147 3531 1 14 . 1 1 49 49 LEU N N 49 118.590 118.590 121.381 -2.791 19147 3532 1 14 . 1 1 49 49 LEU HA H 49 4.247 4.247 4.344 -0.097 19147 3533 1 14 . 1 1 49 49 LEU C C 49 176.916 176.916 176.156 0.760 19147 3534 1 14 . 1 1 49 49 LEU CA C 49 56.333 56.333 56.167 0.166 19147 3535 1 14 . 1 1 49 49 LEU CB C 49 36.861 36.861 38.973 -2.112 19147 3536 1 14 . 1 1 49 49 LEU H H 49 8.181 8.181 8.115 0.066 19147 3537 1 14 . 1 1 50 50 CYS N N 50 115.484 115.484 116.316 -0.832 19147 3538 1 14 . 1 1 50 50 CYS HA H 50 4.938 4.938 4.689 0.249 19147 3539 1 14 . 1 1 50 50 CYS C C 50 173.194 173.194 173.964 -0.770 19147 3540 1 14 . 1 1 50 50 CYS CA C 50 57.589 57.589 56.472 1.117 19147 3541 1 14 . 1 1 50 50 CYS CB C 50 30.662 30.662 31.427 -0.765 19147 3542 1 14 . 1 1 50 50 CYS H H 50 8.001 8.001 7.753 0.248 19147 3543 1 14 . 1 1 51 51 ASN N N 51 116.975 116.975 119.683 -2.708 19147 3544 1 14 . 1 1 51 51 ASN HA H 51 4.427 4.427 4.650 -0.223 19147 3545 1 14 . 1 1 51 51 ASN C C 51 174.640 174.640 174.945 -0.305 19147 3546 1 14 . 1 1 51 51 ASN CA C 51 54.190 54.190 54.368 -0.178 19147 3547 1 14 . 1 1 51 51 ASN CB C 51 38.421 38.421 38.535 -0.114 19147 3548 1 14 . 1 1 51 51 ASN H H 51 8.453 8.453 8.605 -0.152 19147 3549 1 14 . 1 1 52 52 TYR N N 52 123.645 123.645 126.041 -2.396 19147 3550 1 14 . 1 1 52 52 TYR HA H 52 3.628 3.628 4.289 -0.661 19147 3551 1 14 . 1 1 52 52 TYR C C 52 173.953 173.953 176.829 -2.876 19147 3552 1 14 . 1 1 52 52 TYR CA C 52 61.742 61.742 59.685 2.057 19147 3553 1 14 . 1 1 52 52 TYR CB C 52 37.030 37.030 39.232 -2.202 19147 3554 1 14 . 1 1 52 52 TYR H H 52 8.903 8.903 8.750 0.153 19147 3555 1 14 . 1 1 53 53 HIS N N 53 123.135 123.135 122.120 1.015 19147 3556 1 14 . 1 1 53 53 HIS HA H 53 4.673 4.673 4.221 0.452 19147 3557 1 14 . 1 1 53 53 HIS C C 53 173.360 173.360 176.195 -2.835 19147 3558 1 14 . 1 1 53 53 HIS CA C 53 51.116 51.116 58.922 -7.806 19147 3559 1 14 . 1 1 53 53 HIS CB C 53 29.297 29.297 29.427 -0.130 19147 3560 1 14 . 1 1 53 53 HIS H H 53 5.918 5.918 7.838 -1.920 19147 3561 1 14 . 1 1 54 54 THR N N 54 110.786 110.786 111.211 -0.425 19147 3562 1 14 . 1 1 54 54 THR HA H 54 3.786 3.786 4.230 -0.444 19147 3563 1 14 . 1 1 54 54 THR C C 54 175.778 175.778 173.888 1.890 19147 3564 1 14 . 1 1 54 54 THR CA C 54 62.088 62.088 63.453 -1.365 19147 3565 1 14 . 1 1 54 54 THR CB C 54 68.634 68.634 67.898 0.736 19147 3566 1 14 . 1 1 54 54 THR H H 54 7.632 7.632 8.732 -1.100 19147 3567 1 14 . 1 1 55 55 THR N N 55 113.157 113.157 113.146 0.011 19147 3568 1 14 . 1 1 55 55 THR HA H 55 4.656 4.656 4.469 0.187 19147 3569 1 14 . 1 1 55 55 THR C C 55 175.209 175.209 173.971 1.238 19147 3570 1 14 . 1 1 55 55 THR CA C 55 60.909 60.909 60.626 0.283 19147 3571 1 14 . 1 1 55 55 THR CB C 55 68.720 68.720 70.842 -2.122 19147 3572 1 14 . 1 1 55 55 THR H H 55 7.746 7.746 7.342 0.404 19147 3573 1 14 . 1 1 56 56 LYS N N 56 122.548 122.548 120.352 2.196 19147 3574 1 14 . 1 1 56 56 LYS HA H 56 4.247 4.247 4.100 0.147 19147 3575 1 14 . 1 1 56 56 LYS C C 56 176.726 176.726 176.013 0.713 19147 3576 1 14 . 1 1 56 56 LYS CA C 56 56.714 56.714 58.560 -1.846 19147 3577 1 14 . 1 1 56 56 LYS CB C 56 32.279 32.279 32.686 -0.407 19147 3578 1 14 . 1 1 56 56 LYS H H 56 8.344 8.344 8.504 -0.160 19147 3579 1 14 . 1 1 57 57 ASP N N 57 119.260 119.260 114.767 4.493 19147 3580 1 14 . 1 1 57 57 ASP HA H 57 4.684 4.684 4.735 -0.051 19147 3581 1 14 . 1 1 57 57 ASP C C 57 176.323 176.323 174.414 1.909 19147 3582 1 14 . 1 1 57 57 ASP CA C 57 53.331 53.331 53.355 -0.024 19147 3583 1 14 . 1 1 57 57 ASP CB C 57 41.168 41.168 42.684 -1.516 19147 3584 1 14 . 1 1 57 57 ASP H H 57 8.201 8.201 7.649 0.552 19147 3585 1 15 . 1 1 14 14 LEU N N 14 123.914 123.914 123.431 0.483 19147 3586 1 15 . 1 1 14 14 LEU HA H 14 4.914 4.914 4.501 0.413 19147 3587 1 15 . 1 1 14 14 LEU C C 14 176.963 176.963 177.535 -0.572 19147 3588 1 15 . 1 1 14 14 LEU CA C 14 54.055 54.055 55.442 -1.387 19147 3589 1 15 . 1 1 14 14 LEU CB C 14 44.013 44.013 42.182 1.831 19147 3590 1 15 . 1 1 14 14 LEU H H 14 8.089 8.089 7.853 0.236 19147 3591 1 15 . 1 1 15 15 LYS N N 15 121.013 121.013 121.894 -0.881 19147 3592 1 15 . 1 1 15 15 LYS HA H 15 4.323 4.323 4.571 -0.248 19147 3593 1 15 . 1 1 15 15 LYS C C 15 174.711 174.711 175.400 -0.689 19147 3594 1 15 . 1 1 15 15 LYS CA C 15 53.956 53.956 53.633 0.323 19147 3595 1 15 . 1 1 15 15 LYS CB C 15 35.171 35.171 33.789 1.382 19147 3596 1 15 . 1 1 15 15 LYS H H 15 8.548 8.548 8.282 0.266 19147 3597 1 15 . 1 1 16 16 ALA N N 16 124.835 124.835 122.296 2.539 19147 3598 1 15 . 1 1 16 16 ALA HA H 16 4.424 4.424 4.688 -0.264 19147 3599 1 15 . 1 1 16 16 ALA C C 16 176.513 176.513 176.998 -0.485 19147 3600 1 15 . 1 1 16 16 ALA CA C 16 50.701 50.701 50.585 0.116 19147 3601 1 15 . 1 1 16 16 ALA CB C 16 19.404 19.404 19.091 0.313 19147 3602 1 15 . 1 1 16 16 ALA H H 16 8.119 8.119 8.353 -0.234 19147 3603 1 15 . 1 1 17 17 CYS N N 17 125.963 125.963 122.783 3.180 19147 3604 1 15 . 1 1 17 17 CYS HA H 17 4.530 4.530 4.328 0.202 19147 3605 1 15 . 1 1 17 17 CYS C C 17 179.428 179.428 177.239 2.189 19147 3606 1 15 . 1 1 17 17 CYS CA C 17 59.687 59.687 58.945 0.742 19147 3607 1 15 . 1 1 17 17 CYS CB C 17 31.087 31.087 29.540 1.547 19147 3608 1 15 . 1 1 17 17 CYS H H 17 9.517 9.517 8.198 1.319 19147 3609 1 15 . 1 1 18 18 ILE N N 18 124.917 124.917 120.738 4.179 19147 3610 1 15 . 1 1 18 18 ILE HA H 18 4.039 4.039 4.168 -0.129 19147 3611 1 15 . 1 1 18 18 ILE C C 18 175.825 175.825 176.077 -0.252 19147 3612 1 15 . 1 1 18 18 ILE CA C 18 62.353 62.353 62.623 -0.271 19147 3613 1 15 . 1 1 18 18 ILE CB C 18 37.671 37.671 37.997 -0.326 19147 3614 1 15 . 1 1 18 18 ILE H H 18 7.244 7.244 8.501 -1.257 19147 3615 1 15 . 1 1 19 19 ARG N N 19 124.247 124.247 122.064 2.183 19147 3616 1 15 . 1 1 19 19 ARG HA H 19 4.235 4.235 4.185 0.050 19147 3617 1 15 . 1 1 19 19 ARG C C 19 177.413 177.413 176.461 0.952 19147 3618 1 15 . 1 1 19 19 ARG CA C 19 57.820 57.820 58.264 -0.444 19147 3619 1 15 . 1 1 19 19 ARG CB C 19 31.496 31.496 30.454 1.042 19147 3620 1 15 . 1 1 19 19 ARG H H 19 9.392 9.392 8.256 1.136 19147 3621 1 15 . 1 1 20 20 CYS N N 20 118.959 118.959 114.258 4.701 19147 3622 1 15 . 1 1 20 20 CYS HA H 20 4.933 4.933 4.818 0.115 19147 3623 1 15 . 1 1 20 20 CYS C C 20 178.409 178.409 173.499 4.910 19147 3624 1 15 . 1 1 20 20 CYS CA C 20 58.663 58.663 57.069 1.594 19147 3625 1 15 . 1 1 20 20 CYS CB C 20 32.067 32.067 29.202 2.865 19147 3626 1 15 . 1 1 20 20 CYS H H 20 8.541 8.541 7.993 0.548 19147 3627 1 15 . 1 1 21 21 ASN N N 21 120.450 120.450 119.802 0.648 19147 3628 1 15 . 1 1 21 21 ASN HA H 21 4.422 4.422 4.476 -0.054 19147 3629 1 15 . 1 1 21 21 ASN C C 21 174.237 174.237 174.223 0.014 19147 3630 1 15 . 1 1 21 21 ASN CA C 21 55.172 55.172 54.513 0.659 19147 3631 1 15 . 1 1 21 21 ASN CB C 21 38.545 38.545 37.271 1.274 19147 3632 1 15 . 1 1 21 21 ASN H H 21 8.533 8.533 8.145 0.388 19147 3633 1 15 . 1 1 22 22 SER N N 22 119.717 119.717 115.069 4.648 19147 3634 1 15 . 1 1 22 22 SER HA H 22 4.643 4.643 4.872 -0.229 19147 3635 1 15 . 1 1 22 22 SER CA C 22 58.269 58.269 55.595 2.674 19147 3636 1 15 . 1 1 22 22 SER CB C 22 61.998 61.998 65.624 -3.626 19147 3637 1 15 . 1 1 22 22 SER H H 22 8.742 8.742 7.993 0.749 19147 3638 1 15 . 1 1 23 23 PRO HA H 23 4.375 4.375 4.752 -0.377 19147 3639 1 15 . 1 1 23 23 PRO CA C 23 64.211 64.211 62.727 1.484 19147 3640 1 15 . 1 1 23 23 PRO CB C 23 31.883 31.883 30.747 1.136 19147 3641 1 15 . 1 1 24 24 ALA N N 24 126.670 126.670 128.328 -1.658 19147 3642 1 15 . 1 1 24 24 ALA HA H 24 4.756 4.756 4.729 0.027 19147 3643 1 15 . 1 1 24 24 ALA C C 24 176.157 176.157 176.773 -0.616 19147 3644 1 15 . 1 1 24 24 ALA CA C 24 49.817 49.817 50.219 -0.402 19147 3645 1 15 . 1 1 24 24 ALA CB C 24 19.920 19.920 21.297 -1.377 19147 3646 1 15 . 1 1 24 24 ALA H H 24 8.732 8.732 8.031 0.701 19147 3647 1 15 . 1 1 25 25 LYS N N 25 122.456 122.456 126.851 -4.395 19147 3648 1 15 . 1 1 25 25 LYS HA H 25 4.260 4.260 4.066 0.194 19147 3649 1 15 . 1 1 25 25 LYS C C 25 175.612 175.612 175.174 0.438 19147 3650 1 15 . 1 1 25 25 LYS CA C 25 56.269 56.269 56.139 0.130 19147 3651 1 15 . 1 1 25 25 LYS CB C 25 32.912 32.912 32.482 0.430 19147 3652 1 15 . 1 1 25 25 LYS H H 25 8.045 8.045 8.365 -0.320 19147 3653 1 15 . 1 1 26 26 TYR N N 26 128.452 128.452 129.510 -1.058 19147 3654 1 15 . 1 1 26 26 TYR HA H 26 5.275 5.275 4.748 0.527 19147 3655 1 15 . 1 1 26 26 TYR C C 26 173.550 173.550 175.171 -1.621 19147 3656 1 15 . 1 1 26 26 TYR CA C 26 54.572 54.572 56.887 -2.315 19147 3657 1 15 . 1 1 26 26 TYR CB C 26 40.463 40.463 39.724 0.739 19147 3658 1 15 . 1 1 26 26 TYR H H 26 8.734 8.734 8.234 0.500 19147 3659 1 15 . 1 1 27 27 ASP N N 27 129.563 129.563 128.970 0.593 19147 3660 1 15 . 1 1 27 27 ASP HA H 27 4.525 4.525 4.662 -0.138 19147 3661 1 15 . 1 1 27 27 ASP C C 27 175.920 175.920 175.828 0.092 19147 3662 1 15 . 1 1 27 27 ASP CA C 27 51.470 51.470 52.957 -1.487 19147 3663 1 15 . 1 1 27 27 ASP CB C 27 42.426 42.426 41.638 0.788 19147 3664 1 15 . 1 1 27 27 ASP H H 27 8.714 8.714 8.810 -0.096 19147 3665 1 15 . 1 1 28 28 CYS N N 28 122.534 122.534 123.703 -1.169 19147 3666 1 15 . 1 1 28 28 CYS HA H 28 3.753 3.753 4.125 -0.372 19147 3667 1 15 . 1 1 28 28 CYS C C 28 175.043 175.043 175.544 -0.501 19147 3668 1 15 . 1 1 28 28 CYS CA C 28 58.504 58.504 60.420 -1.916 19147 3669 1 15 . 1 1 28 28 CYS CB C 28 26.501 26.501 26.696 -0.195 19147 3670 1 15 . 1 1 28 28 CYS H H 28 8.226 8.226 8.420 -0.194 19147 3671 1 15 . 1 1 29 29 TYR N N 29 123.853 123.853 118.997 4.856 19147 3672 1 15 . 1 1 29 29 TYR HA H 29 4.319 4.319 4.180 0.139 19147 3673 1 15 . 1 1 29 29 TYR C C 29 177.722 177.722 176.437 1.285 19147 3674 1 15 . 1 1 29 29 TYR CA C 29 59.695 59.695 60.990 -1.296 19147 3675 1 15 . 1 1 29 29 TYR CB C 29 37.305 37.305 38.704 -1.399 19147 3676 1 15 . 1 1 29 29 TYR H H 29 8.206 8.206 7.937 0.269 19147 3677 1 15 . 1 1 30 30 LEU N N 30 117.184 117.184 115.043 2.141 19147 3678 1 15 . 1 1 30 30 LEU HA H 30 4.068 4.068 4.654 -0.586 19147 3679 1 15 . 1 1 30 30 LEU C C 30 177.058 177.058 175.511 1.547 19147 3680 1 15 . 1 1 30 30 LEU CA C 30 53.970 53.970 54.173 -0.203 19147 3681 1 15 . 1 1 30 30 LEU CB C 30 42.216 42.216 42.756 -0.540 19147 3682 1 15 . 1 1 30 30 LEU H H 30 7.681 7.681 7.543 0.138 19147 3683 1 15 . 1 1 31 31 GLN N N 31 115.267 115.267 115.799 -0.532 19147 3684 1 15 . 1 1 31 31 GLN HA H 31 3.551 3.551 4.122 -0.571 19147 3685 1 15 . 1 1 31 31 GLN C C 31 173.739 173.739 174.779 -1.040 19147 3686 1 15 . 1 1 31 31 GLN CA C 31 57.133 57.133 57.313 -0.180 19147 3687 1 15 . 1 1 31 31 GLN CB C 31 25.119 25.119 25.949 -0.830 19147 3688 1 15 . 1 1 31 31 GLN H H 31 7.740 7.740 7.890 -0.150 19147 3689 1 15 . 1 1 32 32 ARG N N 32 120.485 120.485 115.485 5.000 19147 3690 1 15 . 1 1 32 32 ARG HA H 32 5.053 5.053 4.874 0.179 19147 3691 1 15 . 1 1 32 32 ARG C C 32 173.384 173.384 173.648 -0.264 19147 3692 1 15 . 1 1 32 32 ARG CA C 32 52.928 52.928 53.876 -0.948 19147 3693 1 15 . 1 1 32 32 ARG CB C 32 36.499 36.499 34.173 2.325 19147 3694 1 15 . 1 1 32 32 ARG H H 32 7.213 7.213 7.864 -0.651 19147 3695 1 15 . 1 1 33 33 ALA N N 33 130.237 130.237 123.821 6.416 19147 3696 1 15 . 1 1 33 33 ALA HA H 33 5.295 5.295 5.418 -0.123 19147 3697 1 15 . 1 1 33 33 ALA C C 33 174.522 174.522 175.023 -0.501 19147 3698 1 15 . 1 1 33 33 ALA CA C 33 49.099 49.099 49.969 -0.870 19147 3699 1 15 . 1 1 33 33 ALA CB C 33 20.309 20.309 22.553 -2.244 19147 3700 1 15 . 1 1 33 33 ALA H H 33 8.763 8.763 8.902 -0.139 19147 3701 1 15 . 1 1 34 34 THR N N 34 114.351 114.351 116.462 -2.111 19147 3702 1 15 . 1 1 34 34 THR HA H 34 4.904 4.904 4.813 0.091 19147 3703 1 15 . 1 1 34 34 THR C C 34 173.597 173.597 174.145 -0.548 19147 3704 1 15 . 1 1 34 34 THR CA C 34 60.450 60.450 60.704 -0.254 19147 3705 1 15 . 1 1 34 34 THR CB C 34 70.553 70.553 70.726 -0.173 19147 3706 1 15 . 1 1 34 34 THR H H 34 8.269 8.269 8.087 0.182 19147 3707 1 15 . 1 1 35 35 CYS N N 35 133.180 133.180 126.643 6.537 19147 3708 1 15 . 1 1 35 35 CYS HA H 35 3.909 3.909 4.202 -0.293 19147 3709 1 15 . 1 1 35 35 CYS C C 35 175.825 175.825 174.493 1.332 19147 3710 1 15 . 1 1 35 35 CYS CA C 35 61.216 61.216 60.648 0.568 19147 3711 1 15 . 1 1 35 35 CYS CB C 35 31.563 31.563 28.761 2.802 19147 3712 1 15 . 1 1 35 35 CYS H H 35 9.133 9.133 8.347 0.786 19147 3713 1 15 . 1 1 36 36 LYS N N 36 125.753 125.753 129.441 -3.688 19147 3714 1 15 . 1 1 36 36 LYS HA H 36 4.324 4.324 4.422 -0.098 19147 3715 1 15 . 1 1 36 36 LYS C C 36 176.323 176.323 175.463 0.860 19147 3716 1 15 . 1 1 36 36 LYS CA C 36 55.921 55.921 55.055 0.866 19147 3717 1 15 . 1 1 36 36 LYS CB C 36 32.422 32.422 31.398 1.024 19147 3718 1 15 . 1 1 36 36 LYS H H 36 8.343 8.343 8.214 0.129 19147 3719 1 15 . 1 1 37 37 ARG N N 37 127.726 127.726 120.409 7.317 19147 3720 1 15 . 1 1 37 37 ARG HA H 37 4.133 4.133 4.506 -0.373 19147 3721 1 15 . 1 1 37 37 ARG C C 37 177.650 177.650 177.029 0.621 19147 3722 1 15 . 1 1 37 37 ARG CA C 37 56.595 56.595 55.722 0.873 19147 3723 1 15 . 1 1 37 37 ARG CB C 37 30.759 30.759 31.905 -1.146 19147 3724 1 15 . 1 1 37 37 ARG H H 37 9.381 9.381 7.448 1.933 19147 3725 1 15 . 1 1 38 38 GLU N N 38 131.710 131.710 123.917 7.793 19147 3726 1 15 . 1 1 38 38 GLU HA H 38 3.933 3.933 4.408 -0.475 19147 3727 1 15 . 1 1 38 38 GLU C C 38 177.342 177.342 176.293 1.049 19147 3728 1 15 . 1 1 38 38 GLU CA C 38 58.288 58.288 56.815 1.473 19147 3729 1 15 . 1 1 38 38 GLU CB C 38 28.628 28.628 29.188 -0.560 19147 3730 1 15 . 1 1 38 38 GLU H H 38 9.079 9.079 8.848 0.231 19147 3731 1 15 . 1 1 39 39 GLY N N 39 112.546 112.546 107.190 5.356 19147 3732 1 15 . 1 1 39 39 GLY C C 39 173.431 173.431 173.778 -0.347 19147 3733 1 15 . 1 1 39 39 GLY CA C 39 44.725 44.725 44.977 -0.252 19147 3734 1 15 . 1 1 39 39 GLY H H 39 8.693 8.693 8.504 0.189 19147 3735 1 15 . 1 1 40 40 CYS N N 40 123.383 123.383 117.329 6.054 19147 3736 1 15 . 1 1 40 40 CYS HA H 40 4.492 4.492 4.691 -0.199 19147 3737 1 15 . 1 1 40 40 CYS C C 40 175.659 175.659 174.659 1.000 19147 3738 1 15 . 1 1 40 40 CYS CA C 40 59.558 59.558 59.396 0.162 19147 3739 1 15 . 1 1 40 40 CYS CB C 40 30.181 30.181 30.972 -0.791 19147 3740 1 15 . 1 1 40 40 CYS H H 40 7.838 7.838 7.499 0.339 19147 3741 1 15 . 1 1 41 41 GLY N N 41 108.697 108.697 111.133 -2.436 19147 3742 1 15 . 1 1 41 41 GLY C C 41 174.261 174.261 173.958 0.303 19147 3743 1 15 . 1 1 41 41 GLY CA C 41 46.283 46.283 46.232 0.051 19147 3744 1 15 . 1 1 41 41 GLY H H 41 8.109 8.109 8.478 -0.369 19147 3745 1 15 . 1 1 42 42 PHE N N 42 124.198 124.198 116.665 7.533 19147 3746 1 15 . 1 1 42 42 PHE HA H 42 4.579 4.579 4.924 -0.345 19147 3747 1 15 . 1 1 42 42 PHE C C 42 172.886 172.886 173.593 -0.707 19147 3748 1 15 . 1 1 42 42 PHE CA C 42 58.164 58.164 54.208 3.956 19147 3749 1 15 . 1 1 42 42 PHE CB C 42 38.872 38.872 41.228 -2.356 19147 3750 1 15 . 1 1 42 42 PHE H H 42 8.140 8.140 7.481 0.659 19147 3751 1 15 . 1 1 43 43 ASP N N 43 129.158 129.158 122.586 6.572 19147 3752 1 15 . 1 1 43 43 ASP HA H 43 5.377 5.377 4.668 0.709 19147 3753 1 15 . 1 1 43 43 ASP C C 43 175.493 175.493 175.167 0.326 19147 3754 1 15 . 1 1 43 43 ASP CA C 43 51.991 51.991 53.380 -1.389 19147 3755 1 15 . 1 1 43 43 ASP CB C 43 42.089 42.089 42.592 -0.503 19147 3756 1 15 . 1 1 43 43 ASP H H 43 7.830 7.830 8.571 -0.741 19147 3757 1 15 . 1 1 44 44 TYR N N 44 121.015 121.015 119.615 1.400 19147 3758 1 15 . 1 1 44 44 TYR HA H 44 5.072 5.072 5.022 0.050 19147 3759 1 15 . 1 1 44 44 TYR C C 44 173.882 173.882 173.732 0.150 19147 3760 1 15 . 1 1 44 44 TYR CA C 44 54.551 54.551 56.159 -1.608 19147 3761 1 15 . 1 1 44 44 TYR CB C 44 41.061 41.061 39.683 1.378 19147 3762 1 15 . 1 1 44 44 TYR H H 44 9.264 9.264 8.130 1.134 19147 3763 1 15 . 1 1 45 45 CYS N N 45 121.008 121.008 122.432 -1.424 19147 3764 1 15 . 1 1 45 45 CYS HA H 45 5.157 5.157 4.696 0.461 19147 3765 1 15 . 1 1 45 45 CYS C C 45 178.385 178.385 176.139 2.246 19147 3766 1 15 . 1 1 45 45 CYS CA C 45 56.934 56.934 60.042 -3.108 19147 3767 1 15 . 1 1 45 45 CYS CB C 45 31.953 31.953 28.506 3.447 19147 3768 1 15 . 1 1 45 45 CYS H H 45 8.420 8.420 9.067 -0.647 19147 3769 1 15 . 1 1 46 46 THR N N 46 120.657 120.657 122.362 -1.705 19147 3770 1 15 . 1 1 46 46 THR HA H 46 4.090 4.090 4.136 -0.046 19147 3771 1 15 . 1 1 46 46 THR C C 46 174.593 174.593 175.274 -0.681 19147 3772 1 15 . 1 1 46 46 THR CA C 46 64.084 64.084 64.342 -0.258 19147 3773 1 15 . 1 1 46 46 THR CB C 46 66.577 66.577 68.758 -2.182 19147 3774 1 15 . 1 1 46 46 THR H H 46 8.518 8.518 8.536 -0.018 19147 3775 1 15 . 1 1 47 47 LYS N N 47 124.516 124.516 120.948 3.568 19147 3776 1 15 . 1 1 47 47 LYS HA H 47 4.377 4.377 4.190 0.187 19147 3777 1 15 . 1 1 47 47 LYS C C 47 177.319 177.319 177.806 -0.487 19147 3778 1 15 . 1 1 47 47 LYS CA C 47 58.163 58.163 59.174 -1.011 19147 3779 1 15 . 1 1 47 47 LYS CB C 47 32.753 32.753 32.560 0.193 19147 3780 1 15 . 1 1 47 47 LYS H H 47 9.452 9.452 8.493 0.959 19147 3781 1 15 . 1 1 48 48 CYS N N 48 116.543 116.543 114.700 1.843 19147 3782 1 15 . 1 1 48 48 CYS HA H 48 4.817 4.817 4.748 0.069 19147 3783 1 15 . 1 1 48 48 CYS C C 48 175.920 175.920 175.495 0.425 19147 3784 1 15 . 1 1 48 48 CYS CA C 48 57.997 57.997 57.870 0.127 19147 3785 1 15 . 1 1 48 48 CYS CB C 48 32.109 32.109 29.165 2.944 19147 3786 1 15 . 1 1 48 48 CYS H H 48 8.244 8.244 8.115 0.129 19147 3787 1 15 . 1 1 49 49 LEU N N 49 118.590 118.590 121.717 -3.127 19147 3788 1 15 . 1 1 49 49 LEU HA H 49 4.247 4.247 4.393 -0.146 19147 3789 1 15 . 1 1 49 49 LEU C C 49 176.916 176.916 176.207 0.709 19147 3790 1 15 . 1 1 49 49 LEU CA C 49 56.333 56.333 56.164 0.169 19147 3791 1 15 . 1 1 49 49 LEU CB C 49 36.861 36.861 39.079 -2.218 19147 3792 1 15 . 1 1 49 49 LEU H H 49 8.181 8.181 8.144 0.037 19147 3793 1 15 . 1 1 50 50 CYS N N 50 115.484 115.484 116.236 -0.752 19147 3794 1 15 . 1 1 50 50 CYS HA H 50 4.938 4.938 4.701 0.237 19147 3795 1 15 . 1 1 50 50 CYS C C 50 173.194 173.194 174.303 -1.109 19147 3796 1 15 . 1 1 50 50 CYS CA C 50 57.589 57.589 56.413 1.177 19147 3797 1 15 . 1 1 50 50 CYS CB C 50 30.662 30.662 31.793 -1.131 19147 3798 1 15 . 1 1 50 50 CYS H H 50 8.001 8.001 7.844 0.157 19147 3799 1 15 . 1 1 51 51 ASN N N 51 116.975 116.975 119.780 -2.805 19147 3800 1 15 . 1 1 51 51 ASN HA H 51 4.427 4.427 4.614 -0.187 19147 3801 1 15 . 1 1 51 51 ASN C C 51 174.640 174.640 175.401 -0.761 19147 3802 1 15 . 1 1 51 51 ASN CA C 51 54.190 54.190 54.530 -0.340 19147 3803 1 15 . 1 1 51 51 ASN CB C 51 38.421 38.421 38.724 -0.303 19147 3804 1 15 . 1 1 51 51 ASN H H 51 8.453 8.453 8.755 -0.302 19147 3805 1 15 . 1 1 52 52 TYR N N 52 123.645 123.645 125.002 -1.357 19147 3806 1 15 . 1 1 52 52 TYR HA H 52 3.628 3.628 4.204 -0.576 19147 3807 1 15 . 1 1 52 52 TYR C C 52 173.953 173.953 175.558 -1.605 19147 3808 1 15 . 1 1 52 52 TYR CA C 52 61.742 61.742 59.505 2.237 19147 3809 1 15 . 1 1 52 52 TYR CB C 52 37.030 37.030 39.053 -2.023 19147 3810 1 15 . 1 1 52 52 TYR H H 52 8.903 8.903 8.340 0.563 19147 3811 1 15 . 1 1 53 53 HIS N N 53 123.135 123.135 122.014 1.121 19147 3812 1 15 . 1 1 53 53 HIS HA H 53 4.673 4.673 4.316 0.357 19147 3813 1 15 . 1 1 53 53 HIS C C 53 173.360 173.360 175.146 -1.786 19147 3814 1 15 . 1 1 53 53 HIS CA C 53 51.116 51.116 57.465 -6.349 19147 3815 1 15 . 1 1 53 53 HIS CB C 53 29.297 29.297 29.577 -0.280 19147 3816 1 15 . 1 1 53 53 HIS H H 53 5.918 5.918 7.938 -2.020 19147 3817 1 15 . 1 1 54 54 THR N N 54 110.786 110.786 114.116 -3.330 19147 3818 1 15 . 1 1 54 54 THR HA H 54 3.786 3.786 4.589 -0.803 19147 3819 1 15 . 1 1 54 54 THR C C 54 175.778 175.778 174.876 0.902 19147 3820 1 15 . 1 1 54 54 THR CA C 54 62.088 62.088 62.233 -0.145 19147 3821 1 15 . 1 1 54 54 THR CB C 54 68.634 68.634 70.625 -1.991 19147 3822 1 15 . 1 1 54 54 THR H H 54 7.632 7.632 8.026 -0.394 19147 3823 1 15 . 1 1 55 55 THR N N 55 113.157 113.157 117.433 -4.276 19147 3824 1 15 . 1 1 55 55 THR HA H 55 4.656 4.656 4.516 0.140 19147 3825 1 15 . 1 1 55 55 THR C C 55 175.209 175.209 174.315 0.894 19147 3826 1 15 . 1 1 55 55 THR CA C 55 60.909 60.909 62.222 -1.313 19147 3827 1 15 . 1 1 55 55 THR CB C 55 68.720 68.720 68.667 0.053 19147 3828 1 15 . 1 1 55 55 THR H H 55 7.746 7.746 8.342 -0.596 19147 3829 1 15 . 1 1 56 56 LYS N N 56 122.548 122.548 117.813 4.735 19147 3830 1 15 . 1 1 56 56 LYS HA H 56 4.247 4.247 3.989 0.258 19147 3831 1 15 . 1 1 56 56 LYS C C 56 176.726 176.726 174.543 2.183 19147 3832 1 15 . 1 1 56 56 LYS CA C 56 56.714 56.714 57.858 -1.144 19147 3833 1 15 . 1 1 56 56 LYS CB C 56 32.279 32.279 30.994 1.285 19147 3834 1 15 . 1 1 56 56 LYS H H 56 8.344 8.344 8.206 0.138 19147 3835 1 15 . 1 1 57 57 ASP N N 57 119.260 119.260 118.267 0.993 19147 3836 1 15 . 1 1 57 57 ASP HA H 57 4.684 4.684 4.713 -0.029 19147 3837 1 15 . 1 1 57 57 ASP C C 57 176.323 176.323 175.247 1.076 19147 3838 1 15 . 1 1 57 57 ASP CA C 57 53.331 53.331 53.075 0.256 19147 3839 1 15 . 1 1 57 57 ASP CB C 57 41.168 41.168 42.459 -1.291 19147 3840 1 15 . 1 1 57 57 ASP H H 57 8.201 8.201 7.969 0.232 19147 3841 1 16 . 1 1 14 14 LEU N N 14 123.914 123.914 123.830 0.084 19147 3842 1 16 . 1 1 14 14 LEU HA H 14 4.914 4.914 4.715 0.199 19147 3843 1 16 . 1 1 14 14 LEU C C 14 176.963 176.963 177.242 -0.279 19147 3844 1 16 . 1 1 14 14 LEU CA C 14 54.055 54.055 54.208 -0.153 19147 3845 1 16 . 1 1 14 14 LEU CB C 14 44.013 44.013 42.434 1.579 19147 3846 1 16 . 1 1 14 14 LEU H H 14 8.089 8.089 7.837 0.252 19147 3847 1 16 . 1 1 15 15 LYS N N 15 121.013 121.013 122.978 -1.965 19147 3848 1 16 . 1 1 15 15 LYS HA H 15 4.323 4.323 4.356 -0.033 19147 3849 1 16 . 1 1 15 15 LYS C C 15 174.711 174.711 175.651 -0.940 19147 3850 1 16 . 1 1 15 15 LYS CA C 15 53.956 53.956 55.339 -1.383 19147 3851 1 16 . 1 1 15 15 LYS CB C 15 35.171 35.171 33.899 1.272 19147 3852 1 16 . 1 1 15 15 LYS H H 15 8.548 8.548 8.419 0.129 19147 3853 1 16 . 1 1 16 16 ALA N N 16 124.835 124.835 123.519 1.316 19147 3854 1 16 . 1 1 16 16 ALA HA H 16 4.424 4.424 4.791 -0.367 19147 3855 1 16 . 1 1 16 16 ALA C C 16 176.513 176.513 177.259 -0.746 19147 3856 1 16 . 1 1 16 16 ALA CA C 16 50.701 50.701 50.596 0.105 19147 3857 1 16 . 1 1 16 16 ALA CB C 16 19.404 19.404 19.102 0.302 19147 3858 1 16 . 1 1 16 16 ALA H H 16 8.119 8.119 8.360 -0.241 19147 3859 1 16 . 1 1 17 17 CYS N N 17 125.963 125.963 122.718 3.245 19147 3860 1 16 . 1 1 17 17 CYS HA H 17 4.530 4.530 4.225 0.305 19147 3861 1 16 . 1 1 17 17 CYS C C 17 179.428 179.428 177.115 2.313 19147 3862 1 16 . 1 1 17 17 CYS CA C 17 59.687 59.687 60.296 -0.609 19147 3863 1 16 . 1 1 17 17 CYS CB C 17 31.087 31.087 29.766 1.321 19147 3864 1 16 . 1 1 17 17 CYS H H 17 9.517 9.517 8.160 1.357 19147 3865 1 16 . 1 1 18 18 ILE N N 18 124.917 124.917 121.693 3.224 19147 3866 1 16 . 1 1 18 18 ILE HA H 18 4.039 4.039 4.175 -0.136 19147 3867 1 16 . 1 1 18 18 ILE C C 18 175.825 175.825 175.846 -0.021 19147 3868 1 16 . 1 1 18 18 ILE CA C 18 62.353 62.353 62.855 -0.502 19147 3869 1 16 . 1 1 18 18 ILE CB C 18 37.671 37.671 37.291 0.380 19147 3870 1 16 . 1 1 18 18 ILE H H 18 7.244 7.244 8.521 -1.277 19147 3871 1 16 . 1 1 19 19 ARG N N 19 124.247 124.247 123.133 1.114 19147 3872 1 16 . 1 1 19 19 ARG HA H 19 4.235 4.235 4.232 0.003 19147 3873 1 16 . 1 1 19 19 ARG C C 19 177.413 177.413 176.684 0.729 19147 3874 1 16 . 1 1 19 19 ARG CA C 19 57.820 57.820 58.459 -0.639 19147 3875 1 16 . 1 1 19 19 ARG CB C 19 31.496 31.496 30.671 0.825 19147 3876 1 16 . 1 1 19 19 ARG H H 19 9.392 9.392 8.139 1.253 19147 3877 1 16 . 1 1 20 20 CYS N N 20 118.959 118.959 114.870 4.089 19147 3878 1 16 . 1 1 20 20 CYS HA H 20 4.933 4.933 4.865 0.068 19147 3879 1 16 . 1 1 20 20 CYS C C 20 178.409 178.409 173.529 4.880 19147 3880 1 16 . 1 1 20 20 CYS CA C 20 58.663 58.663 57.109 1.554 19147 3881 1 16 . 1 1 20 20 CYS CB C 20 32.067 32.067 29.172 2.895 19147 3882 1 16 . 1 1 20 20 CYS H H 20 8.541 8.541 7.900 0.641 19147 3883 1 16 . 1 1 21 21 ASN N N 21 120.450 120.450 119.616 0.834 19147 3884 1 16 . 1 1 21 21 ASN HA H 21 4.422 4.422 4.452 -0.030 19147 3885 1 16 . 1 1 21 21 ASN C C 21 174.237 174.237 174.423 -0.186 19147 3886 1 16 . 1 1 21 21 ASN CA C 21 55.172 55.172 54.035 1.137 19147 3887 1 16 . 1 1 21 21 ASN CB C 21 38.545 38.545 37.178 1.367 19147 3888 1 16 . 1 1 21 21 ASN H H 21 8.533 8.533 8.097 0.436 19147 3889 1 16 . 1 1 22 22 SER N N 22 119.717 119.717 114.402 5.315 19147 3890 1 16 . 1 1 22 22 SER HA H 22 4.643 4.643 4.772 -0.129 19147 3891 1 16 . 1 1 22 22 SER CA C 22 58.269 58.269 55.840 2.429 19147 3892 1 16 . 1 1 22 22 SER CB C 22 61.998 61.998 65.026 -3.028 19147 3893 1 16 . 1 1 22 22 SER H H 22 8.742 8.742 8.029 0.713 19147 3894 1 16 . 1 1 23 23 PRO HA H 23 4.375 4.375 4.708 -0.333 19147 3895 1 16 . 1 1 23 23 PRO CA C 23 64.211 64.211 62.946 1.265 19147 3896 1 16 . 1 1 23 23 PRO CB C 23 31.883 31.883 30.755 1.128 19147 3897 1 16 . 1 1 24 24 ALA N N 24 126.670 126.670 128.823 -2.153 19147 3898 1 16 . 1 1 24 24 ALA HA H 24 4.756 4.756 4.862 -0.106 19147 3899 1 16 . 1 1 24 24 ALA C C 24 176.157 176.157 176.534 -0.377 19147 3900 1 16 . 1 1 24 24 ALA CA C 24 49.817 49.817 49.850 -0.033 19147 3901 1 16 . 1 1 24 24 ALA CB C 24 19.920 19.920 21.988 -2.068 19147 3902 1 16 . 1 1 24 24 ALA H H 24 8.732 8.732 8.694 0.038 19147 3903 1 16 . 1 1 25 25 LYS N N 25 122.456 122.456 126.235 -3.779 19147 3904 1 16 . 1 1 25 25 LYS HA H 25 4.260 4.260 4.163 0.097 19147 3905 1 16 . 1 1 25 25 LYS C C 25 175.612 175.612 175.702 -0.090 19147 3906 1 16 . 1 1 25 25 LYS CA C 25 56.269 56.269 56.226 0.043 19147 3907 1 16 . 1 1 25 25 LYS CB C 25 32.912 32.912 31.977 0.935 19147 3908 1 16 . 1 1 25 25 LYS H H 25 8.045 8.045 8.215 -0.170 19147 3909 1 16 . 1 1 26 26 TYR N N 26 128.452 128.452 128.893 -0.441 19147 3910 1 16 . 1 1 26 26 TYR HA H 26 5.275 5.275 4.669 0.606 19147 3911 1 16 . 1 1 26 26 TYR C C 26 173.550 173.550 175.374 -1.824 19147 3912 1 16 . 1 1 26 26 TYR CA C 26 54.572 54.572 57.296 -2.724 19147 3913 1 16 . 1 1 26 26 TYR CB C 26 40.463 40.463 39.227 1.236 19147 3914 1 16 . 1 1 26 26 TYR H H 26 8.734 8.734 8.194 0.540 19147 3915 1 16 . 1 1 27 27 ASP N N 27 129.563 129.563 127.521 2.042 19147 3916 1 16 . 1 1 27 27 ASP HA H 27 4.525 4.525 4.724 -0.199 19147 3917 1 16 . 1 1 27 27 ASP C C 27 175.920 175.920 176.046 -0.126 19147 3918 1 16 . 1 1 27 27 ASP CA C 27 51.470 51.470 52.435 -0.965 19147 3919 1 16 . 1 1 27 27 ASP CB C 27 42.426 42.426 42.244 0.182 19147 3920 1 16 . 1 1 27 27 ASP H H 27 8.714 8.714 8.889 -0.175 19147 3921 1 16 . 1 1 28 28 CYS N N 28 122.534 122.534 121.429 1.105 19147 3922 1 16 . 1 1 28 28 CYS HA H 28 3.753 3.753 4.049 -0.296 19147 3923 1 16 . 1 1 28 28 CYS C C 28 175.043 175.043 175.602 -0.559 19147 3924 1 16 . 1 1 28 28 CYS CA C 28 58.504 58.504 59.599 -1.095 19147 3925 1 16 . 1 1 28 28 CYS CB C 28 26.501 26.501 27.002 -0.501 19147 3926 1 16 . 1 1 28 28 CYS H H 28 8.226 8.226 8.316 -0.090 19147 3927 1 16 . 1 1 29 29 TYR N N 29 123.853 123.853 120.626 3.227 19147 3928 1 16 . 1 1 29 29 TYR HA H 29 4.319 4.319 4.180 0.139 19147 3929 1 16 . 1 1 29 29 TYR C C 29 177.722 177.722 176.362 1.360 19147 3930 1 16 . 1 1 29 29 TYR CA C 29 59.695 59.695 60.992 -1.297 19147 3931 1 16 . 1 1 29 29 TYR CB C 29 37.305 37.305 38.804 -1.499 19147 3932 1 16 . 1 1 29 29 TYR H H 29 8.206 8.206 7.922 0.284 19147 3933 1 16 . 1 1 30 30 LEU N N 30 117.184 117.184 115.052 2.132 19147 3934 1 16 . 1 1 30 30 LEU HA H 30 4.068 4.068 4.626 -0.558 19147 3935 1 16 . 1 1 30 30 LEU C C 30 177.058 177.058 175.490 1.568 19147 3936 1 16 . 1 1 30 30 LEU CA C 30 53.970 53.970 54.133 -0.163 19147 3937 1 16 . 1 1 30 30 LEU CB C 30 42.216 42.216 42.619 -0.403 19147 3938 1 16 . 1 1 30 30 LEU H H 30 7.681 7.681 7.535 0.146 19147 3939 1 16 . 1 1 31 31 GLN N N 31 115.267 115.267 114.776 0.491 19147 3940 1 16 . 1 1 31 31 GLN HA H 31 3.551 3.551 4.097 -0.546 19147 3941 1 16 . 1 1 31 31 GLN C C 31 173.739 173.739 174.738 -0.999 19147 3942 1 16 . 1 1 31 31 GLN CA C 31 57.133 57.133 57.245 -0.112 19147 3943 1 16 . 1 1 31 31 GLN CB C 31 25.119 25.119 26.166 -1.047 19147 3944 1 16 . 1 1 31 31 GLN H H 31 7.740 7.740 7.876 -0.136 19147 3945 1 16 . 1 1 32 32 ARG N N 32 120.485 120.485 115.720 4.765 19147 3946 1 16 . 1 1 32 32 ARG HA H 32 5.053 5.053 5.147 -0.094 19147 3947 1 16 . 1 1 32 32 ARG C C 32 173.384 173.384 173.714 -0.330 19147 3948 1 16 . 1 1 32 32 ARG CA C 32 52.928 52.928 53.535 -0.607 19147 3949 1 16 . 1 1 32 32 ARG CB C 32 36.499 36.499 34.699 1.800 19147 3950 1 16 . 1 1 32 32 ARG H H 32 7.213 7.213 7.926 -0.713 19147 3951 1 16 . 1 1 33 33 ALA N N 33 130.237 130.237 122.645 7.592 19147 3952 1 16 . 1 1 33 33 ALA HA H 33 5.295 5.295 5.300 -0.005 19147 3953 1 16 . 1 1 33 33 ALA C C 33 174.522 174.522 175.024 -0.502 19147 3954 1 16 . 1 1 33 33 ALA CA C 33 49.099 49.099 50.320 -1.221 19147 3955 1 16 . 1 1 33 33 ALA CB C 33 20.309 20.309 22.410 -2.101 19147 3956 1 16 . 1 1 33 33 ALA H H 33 8.763 8.763 8.780 -0.017 19147 3957 1 16 . 1 1 34 34 THR N N 34 114.351 114.351 117.679 -3.328 19147 3958 1 16 . 1 1 34 34 THR HA H 34 4.904 4.904 4.742 0.162 19147 3959 1 16 . 1 1 34 34 THR C C 34 173.597 173.597 174.507 -0.910 19147 3960 1 16 . 1 1 34 34 THR CA C 34 60.450 60.450 60.681 -0.230 19147 3961 1 16 . 1 1 34 34 THR CB C 34 70.553 70.553 69.224 1.329 19147 3962 1 16 . 1 1 34 34 THR H H 34 8.269 8.269 8.060 0.209 19147 3963 1 16 . 1 1 35 35 CYS N N 35 133.180 133.180 127.715 5.465 19147 3964 1 16 . 1 1 35 35 CYS HA H 35 3.909 3.909 4.192 -0.283 19147 3965 1 16 . 1 1 35 35 CYS C C 35 175.825 175.825 175.324 0.501 19147 3966 1 16 . 1 1 35 35 CYS CA C 35 61.216 61.216 59.811 1.405 19147 3967 1 16 . 1 1 35 35 CYS CB C 35 31.563 31.563 27.937 3.626 19147 3968 1 16 . 1 1 35 35 CYS H H 35 9.133 9.133 8.493 0.640 19147 3969 1 16 . 1 1 36 36 LYS N N 36 125.753 125.753 128.575 -2.822 19147 3970 1 16 . 1 1 36 36 LYS HA H 36 4.324 4.324 4.027 0.297 19147 3971 1 16 . 1 1 36 36 LYS C C 36 176.323 176.323 177.148 -0.825 19147 3972 1 16 . 1 1 36 36 LYS CA C 36 55.921 55.921 57.511 -1.590 19147 3973 1 16 . 1 1 36 36 LYS CB C 36 32.422 32.422 32.122 0.300 19147 3974 1 16 . 1 1 36 36 LYS H H 36 8.343 8.343 8.118 0.225 19147 3975 1 16 . 1 1 37 37 ARG N N 37 127.726 127.726 121.847 5.879 19147 3976 1 16 . 1 1 37 37 ARG HA H 37 4.133 4.133 4.228 -0.095 19147 3977 1 16 . 1 1 37 37 ARG C C 37 177.650 177.650 177.583 0.067 19147 3978 1 16 . 1 1 37 37 ARG CA C 37 56.595 56.595 56.295 0.300 19147 3979 1 16 . 1 1 37 37 ARG CB C 37 30.759 30.759 30.159 0.600 19147 3980 1 16 . 1 1 37 37 ARG H H 37 9.381 9.381 7.566 1.815 19147 3981 1 16 . 1 1 38 38 GLU N N 38 131.710 131.710 126.232 5.478 19147 3982 1 16 . 1 1 38 38 GLU HA H 38 3.933 3.933 4.037 -0.104 19147 3983 1 16 . 1 1 38 38 GLU C C 38 177.342 177.342 178.503 -1.161 19147 3984 1 16 . 1 1 38 38 GLU CA C 38 58.288 58.288 59.208 -0.920 19147 3985 1 16 . 1 1 38 38 GLU CB C 38 28.628 28.628 29.518 -0.890 19147 3986 1 16 . 1 1 38 38 GLU H H 38 9.079 9.079 8.828 0.251 19147 3987 1 16 . 1 1 39 39 GLY N N 39 112.546 112.546 106.385 6.161 19147 3988 1 16 . 1 1 39 39 GLY C C 39 173.431 173.431 174.980 -1.549 19147 3989 1 16 . 1 1 39 39 GLY CA C 39 44.725 44.725 46.375 -1.650 19147 3990 1 16 . 1 1 39 39 GLY H H 39 8.693 8.693 8.593 0.100 19147 3991 1 16 . 1 1 40 40 CYS N N 40 123.383 123.383 118.673 4.710 19147 3992 1 16 . 1 1 40 40 CYS HA H 40 4.492 4.492 4.553 -0.061 19147 3993 1 16 . 1 1 40 40 CYS C C 40 175.659 175.659 175.381 0.278 19147 3994 1 16 . 1 1 40 40 CYS CA C 40 59.558 59.558 60.003 -0.445 19147 3995 1 16 . 1 1 40 40 CYS CB C 40 30.181 30.181 29.755 0.426 19147 3996 1 16 . 1 1 40 40 CYS H H 40 7.838 7.838 7.795 0.043 19147 3997 1 16 . 1 1 41 41 GLY N N 41 108.697 108.697 109.781 -1.084 19147 3998 1 16 . 1 1 41 41 GLY C C 41 174.261 174.261 173.483 0.778 19147 3999 1 16 . 1 1 41 41 GLY CA C 41 46.283 46.283 46.408 -0.125 19147 4000 1 16 . 1 1 41 41 GLY H H 41 8.109 8.109 8.368 -0.259 19147 4001 1 16 . 1 1 42 42 PHE N N 42 124.198 124.198 117.252 6.946 19147 4002 1 16 . 1 1 42 42 PHE HA H 42 4.579 4.579 4.921 -0.342 19147 4003 1 16 . 1 1 42 42 PHE C C 42 172.886 172.886 173.769 -0.883 19147 4004 1 16 . 1 1 42 42 PHE CA C 42 58.164 58.164 54.170 3.994 19147 4005 1 16 . 1 1 42 42 PHE CB C 42 38.872 38.872 41.339 -2.467 19147 4006 1 16 . 1 1 42 42 PHE H H 42 8.140 8.140 7.509 0.631 19147 4007 1 16 . 1 1 43 43 ASP N N 43 129.158 129.158 121.129 8.029 19147 4008 1 16 . 1 1 43 43 ASP HA H 43 5.377 5.377 4.628 0.749 19147 4009 1 16 . 1 1 43 43 ASP C C 43 175.493 175.493 175.174 0.319 19147 4010 1 16 . 1 1 43 43 ASP CA C 43 51.991 51.991 53.316 -1.325 19147 4011 1 16 . 1 1 43 43 ASP CB C 43 42.089 42.089 42.259 -0.170 19147 4012 1 16 . 1 1 43 43 ASP H H 43 7.830 7.830 8.534 -0.704 19147 4013 1 16 . 1 1 44 44 TYR N N 44 121.015 121.015 116.789 4.226 19147 4014 1 16 . 1 1 44 44 TYR HA H 44 5.072 5.072 5.166 -0.094 19147 4015 1 16 . 1 1 44 44 TYR C C 44 173.882 173.882 173.538 0.344 19147 4016 1 16 . 1 1 44 44 TYR CA C 44 54.551 54.551 56.681 -2.130 19147 4017 1 16 . 1 1 44 44 TYR CB C 44 41.061 41.061 39.613 1.448 19147 4018 1 16 . 1 1 44 44 TYR H H 44 9.264 9.264 7.691 1.573 19147 4019 1 16 . 1 1 45 45 CYS N N 45 121.008 121.008 120.983 0.025 19147 4020 1 16 . 1 1 45 45 CYS HA H 45 5.157 5.157 4.863 0.294 19147 4021 1 16 . 1 1 45 45 CYS C C 45 178.385 178.385 175.748 2.637 19147 4022 1 16 . 1 1 45 45 CYS CA C 45 56.934 56.934 59.899 -2.965 19147 4023 1 16 . 1 1 45 45 CYS CB C 45 31.953 31.953 30.802 1.151 19147 4024 1 16 . 1 1 45 45 CYS H H 45 8.420 8.420 9.075 -0.655 19147 4025 1 16 . 1 1 46 46 THR N N 46 120.657 120.657 119.373 1.284 19147 4026 1 16 . 1 1 46 46 THR HA H 46 4.090 4.090 4.320 -0.230 19147 4027 1 16 . 1 1 46 46 THR C C 46 174.593 174.593 175.466 -0.873 19147 4028 1 16 . 1 1 46 46 THR CA C 46 64.084 64.084 64.125 -0.041 19147 4029 1 16 . 1 1 46 46 THR CB C 46 66.577 66.577 68.473 -1.896 19147 4030 1 16 . 1 1 46 46 THR H H 46 8.518 8.518 9.031 -0.513 19147 4031 1 16 . 1 1 47 47 LYS N N 47 124.516 124.516 120.377 4.139 19147 4032 1 16 . 1 1 47 47 LYS HA H 47 4.377 4.377 4.313 0.064 19147 4033 1 16 . 1 1 47 47 LYS C C 47 177.319 177.319 177.195 0.124 19147 4034 1 16 . 1 1 47 47 LYS CA C 47 58.163 58.163 58.914 -0.751 19147 4035 1 16 . 1 1 47 47 LYS CB C 47 32.753 32.753 32.452 0.301 19147 4036 1 16 . 1 1 47 47 LYS H H 47 9.452 9.452 8.434 1.018 19147 4037 1 16 . 1 1 48 48 CYS N N 48 116.543 116.543 115.896 0.647 19147 4038 1 16 . 1 1 48 48 CYS HA H 48 4.817 4.817 4.743 0.074 19147 4039 1 16 . 1 1 48 48 CYS C C 48 175.920 175.920 175.076 0.844 19147 4040 1 16 . 1 1 48 48 CYS CA C 48 57.997 57.997 57.406 0.592 19147 4041 1 16 . 1 1 48 48 CYS CB C 48 32.109 32.109 28.833 3.276 19147 4042 1 16 . 1 1 48 48 CYS H H 48 8.244 8.244 8.059 0.185 19147 4043 1 16 . 1 1 49 49 LEU N N 49 118.590 118.590 119.989 -1.399 19147 4044 1 16 . 1 1 49 49 LEU HA H 49 4.247 4.247 4.301 -0.054 19147 4045 1 16 . 1 1 49 49 LEU C C 49 176.916 176.916 176.504 0.412 19147 4046 1 16 . 1 1 49 49 LEU CA C 49 56.333 56.333 56.035 0.298 19147 4047 1 16 . 1 1 49 49 LEU CB C 49 36.861 36.861 39.526 -2.664 19147 4048 1 16 . 1 1 49 49 LEU H H 49 8.181 8.181 8.118 0.063 19147 4049 1 16 . 1 1 50 50 CYS N N 50 115.484 115.484 117.358 -1.874 19147 4050 1 16 . 1 1 50 50 CYS HA H 50 4.938 4.938 4.670 0.268 19147 4051 1 16 . 1 1 50 50 CYS C C 50 173.194 173.194 173.746 -0.552 19147 4052 1 16 . 1 1 50 50 CYS CA C 50 57.589 57.589 55.990 1.599 19147 4053 1 16 . 1 1 50 50 CYS CB C 50 30.662 30.662 30.643 0.019 19147 4054 1 16 . 1 1 50 50 CYS H H 50 8.001 8.001 7.800 0.201 19147 4055 1 16 . 1 1 51 51 ASN N N 51 116.975 116.975 120.225 -3.250 19147 4056 1 16 . 1 1 51 51 ASN HA H 51 4.427 4.427 4.874 -0.447 19147 4057 1 16 . 1 1 51 51 ASN C C 51 174.640 174.640 175.336 -0.696 19147 4058 1 16 . 1 1 51 51 ASN CA C 51 54.190 54.190 54.790 -0.600 19147 4059 1 16 . 1 1 51 51 ASN CB C 51 38.421 38.421 38.910 -0.489 19147 4060 1 16 . 1 1 51 51 ASN H H 51 8.453 8.453 8.627 -0.174 19147 4061 1 16 . 1 1 52 52 TYR N N 52 123.645 123.645 124.125 -0.480 19147 4062 1 16 . 1 1 52 52 TYR HA H 52 3.628 3.628 4.299 -0.671 19147 4063 1 16 . 1 1 52 52 TYR C C 52 173.953 173.953 176.976 -3.023 19147 4064 1 16 . 1 1 52 52 TYR CA C 52 61.742 61.742 59.957 1.785 19147 4065 1 16 . 1 1 52 52 TYR CB C 52 37.030 37.030 39.595 -2.565 19147 4066 1 16 . 1 1 52 52 TYR H H 52 8.903 8.903 7.948 0.955 19147 4067 1 16 . 1 1 53 53 HIS N N 53 123.135 123.135 118.243 4.892 19147 4068 1 16 . 1 1 53 53 HIS HA H 53 4.673 4.673 4.664 0.009 19147 4069 1 16 . 1 1 53 53 HIS C C 53 173.360 173.360 176.337 -2.977 19147 4070 1 16 . 1 1 53 53 HIS CA C 53 51.116 51.116 57.980 -6.864 19147 4071 1 16 . 1 1 53 53 HIS CB C 53 29.297 29.297 29.518 -0.221 19147 4072 1 16 . 1 1 53 53 HIS H H 53 5.918 5.918 8.151 -2.233 19147 4073 1 16 . 1 1 54 54 THR N N 54 110.786 110.786 112.924 -2.138 19147 4074 1 16 . 1 1 54 54 THR HA H 54 3.786 3.786 4.179 -0.393 19147 4075 1 16 . 1 1 54 54 THR C C 54 175.778 175.778 176.897 -1.119 19147 4076 1 16 . 1 1 54 54 THR CA C 54 62.088 62.088 65.070 -2.982 19147 4077 1 16 . 1 1 54 54 THR CB C 54 68.634 68.634 68.957 -0.323 19147 4078 1 16 . 1 1 54 54 THR H H 54 7.632 7.632 8.336 -0.704 19147 4079 1 16 . 1 1 55 55 THR N N 55 113.157 113.157 114.967 -1.810 19147 4080 1 16 . 1 1 55 55 THR HA H 55 4.656 4.656 4.163 0.493 19147 4081 1 16 . 1 1 55 55 THR C C 55 175.209 175.209 174.808 0.401 19147 4082 1 16 . 1 1 55 55 THR CA C 55 60.909 60.909 64.583 -3.674 19147 4083 1 16 . 1 1 55 55 THR CB C 55 68.720 68.720 69.027 -0.307 19147 4084 1 16 . 1 1 55 55 THR H H 55 7.746 7.746 8.385 -0.639 19147 4085 1 16 . 1 1 56 56 LYS N N 56 122.548 122.548 117.084 5.464 19147 4086 1 16 . 1 1 56 56 LYS HA H 56 4.247 4.247 4.534 -0.287 19147 4087 1 16 . 1 1 56 56 LYS C C 56 176.726 176.726 174.189 2.537 19147 4088 1 16 . 1 1 56 56 LYS CA C 56 56.714 56.714 55.573 1.141 19147 4089 1 16 . 1 1 56 56 LYS CB C 56 32.279 32.279 34.064 -1.785 19147 4090 1 16 . 1 1 56 56 LYS H H 56 8.344 8.344 7.564 0.780 19147 4091 1 16 . 1 1 57 57 ASP N N 57 119.260 119.260 120.071 -0.811 19147 4092 1 16 . 1 1 57 57 ASP HA H 57 4.684 4.684 4.415 0.269 19147 4093 1 16 . 1 1 57 57 ASP C C 57 176.323 176.323 176.419 -0.096 19147 4094 1 16 . 1 1 57 57 ASP CA C 57 53.331 53.331 55.156 -1.825 19147 4095 1 16 . 1 1 57 57 ASP CB C 57 41.168 41.168 40.238 0.930 19147 4096 1 16 . 1 1 57 57 ASP H H 57 8.201 8.201 8.450 -0.249 19147 4097 1 17 . 1 1 14 14 LEU N N 14 123.914 123.914 124.130 -0.216 19147 4098 1 17 . 1 1 14 14 LEU HA H 14 4.914 4.914 4.920 -0.006 19147 4099 1 17 . 1 1 14 14 LEU C C 14 176.963 176.963 177.587 -0.624 19147 4100 1 17 . 1 1 14 14 LEU CA C 14 54.055 54.055 54.108 -0.052 19147 4101 1 17 . 1 1 14 14 LEU CB C 14 44.013 44.013 42.071 1.942 19147 4102 1 17 . 1 1 14 14 LEU H H 14 8.089 8.089 7.857 0.232 19147 4103 1 17 . 1 1 15 15 LYS N N 15 121.013 121.013 124.021 -3.008 19147 4104 1 17 . 1 1 15 15 LYS HA H 15 4.323 4.323 4.449 -0.126 19147 4105 1 17 . 1 1 15 15 LYS C C 15 174.711 174.711 175.483 -0.772 19147 4106 1 17 . 1 1 15 15 LYS CA C 15 53.956 53.956 54.372 -0.416 19147 4107 1 17 . 1 1 15 15 LYS CB C 15 35.171 35.171 33.297 1.873 19147 4108 1 17 . 1 1 15 15 LYS H H 15 8.548 8.548 8.529 0.019 19147 4109 1 17 . 1 1 16 16 ALA N N 16 124.835 124.835 121.942 2.893 19147 4110 1 17 . 1 1 16 16 ALA HA H 16 4.424 4.424 4.899 -0.475 19147 4111 1 17 . 1 1 16 16 ALA C C 16 176.513 176.513 177.326 -0.813 19147 4112 1 17 . 1 1 16 16 ALA CA C 16 50.701 50.701 50.412 0.289 19147 4113 1 17 . 1 1 16 16 ALA CB C 16 19.404 19.404 19.696 -0.292 19147 4114 1 17 . 1 1 16 16 ALA H H 16 8.119 8.119 8.311 -0.192 19147 4115 1 17 . 1 1 17 17 CYS N N 17 125.963 125.963 122.950 3.013 19147 4116 1 17 . 1 1 17 17 CYS HA H 17 4.530 4.530 4.286 0.244 19147 4117 1 17 . 1 1 17 17 CYS C C 17 179.428 179.428 177.084 2.344 19147 4118 1 17 . 1 1 17 17 CYS CA C 17 59.687 59.687 59.613 0.074 19147 4119 1 17 . 1 1 17 17 CYS CB C 17 31.087 31.087 29.518 1.569 19147 4120 1 17 . 1 1 17 17 CYS H H 17 9.517 9.517 8.637 0.880 19147 4121 1 17 . 1 1 18 18 ILE N N 18 124.917 124.917 121.610 3.307 19147 4122 1 17 . 1 1 18 18 ILE HA H 18 4.039 4.039 4.133 -0.094 19147 4123 1 17 . 1 1 18 18 ILE C C 18 175.825 175.825 175.711 0.114 19147 4124 1 17 . 1 1 18 18 ILE CA C 18 62.353 62.353 63.011 -0.658 19147 4125 1 17 . 1 1 18 18 ILE CB C 18 37.671 37.671 37.448 0.223 19147 4126 1 17 . 1 1 18 18 ILE H H 18 7.244 7.244 8.521 -1.277 19147 4127 1 17 . 1 1 19 19 ARG N N 19 124.247 124.247 122.435 1.812 19147 4128 1 17 . 1 1 19 19 ARG HA H 19 4.235 4.235 4.232 0.003 19147 4129 1 17 . 1 1 19 19 ARG C C 19 177.413 177.413 176.584 0.829 19147 4130 1 17 . 1 1 19 19 ARG CA C 19 57.820 57.820 58.375 -0.555 19147 4131 1 17 . 1 1 19 19 ARG CB C 19 31.496 31.496 30.675 0.821 19147 4132 1 17 . 1 1 19 19 ARG H H 19 9.392 9.392 8.528 0.864 19147 4133 1 17 . 1 1 20 20 CYS N N 20 118.959 118.959 114.064 4.895 19147 4134 1 17 . 1 1 20 20 CYS HA H 20 4.933 4.933 4.842 0.091 19147 4135 1 17 . 1 1 20 20 CYS C C 20 178.409 178.409 173.560 4.849 19147 4136 1 17 . 1 1 20 20 CYS CA C 20 58.663 58.663 57.346 1.317 19147 4137 1 17 . 1 1 20 20 CYS CB C 20 32.067 32.067 29.403 2.664 19147 4138 1 17 . 1 1 20 20 CYS H H 20 8.541 8.541 7.731 0.810 19147 4139 1 17 . 1 1 21 21 ASN N N 21 120.450 120.450 117.901 2.549 19147 4140 1 17 . 1 1 21 21 ASN HA H 21 4.422 4.422 4.440 -0.018 19147 4141 1 17 . 1 1 21 21 ASN C C 21 174.237 174.237 174.673 -0.436 19147 4142 1 17 . 1 1 21 21 ASN CA C 21 55.172 55.172 54.271 0.901 19147 4143 1 17 . 1 1 21 21 ASN CB C 21 38.545 38.545 36.782 1.763 19147 4144 1 17 . 1 1 21 21 ASN H H 21 8.533 8.533 8.315 0.218 19147 4145 1 17 . 1 1 22 22 SER N N 22 119.717 119.717 114.521 5.196 19147 4146 1 17 . 1 1 22 22 SER HA H 22 4.643 4.643 4.558 0.085 19147 4147 1 17 . 1 1 22 22 SER CA C 22 58.269 58.269 56.983 1.286 19147 4148 1 17 . 1 1 22 22 SER CB C 22 61.998 61.998 64.662 -2.664 19147 4149 1 17 . 1 1 22 22 SER H H 22 8.742 8.742 8.035 0.707 19147 4150 1 17 . 1 1 23 23 PRO HA H 23 4.375 4.375 4.905 -0.530 19147 4151 1 17 . 1 1 23 23 PRO CA C 23 64.211 64.211 62.942 1.269 19147 4152 1 17 . 1 1 23 23 PRO CB C 23 31.883 31.883 31.916 -0.033 19147 4153 1 17 . 1 1 24 24 ALA N N 24 126.670 126.670 126.443 0.227 19147 4154 1 17 . 1 1 24 24 ALA HA H 24 4.756 4.756 4.954 -0.198 19147 4155 1 17 . 1 1 24 24 ALA C C 24 176.157 176.157 175.938 0.219 19147 4156 1 17 . 1 1 24 24 ALA CA C 24 49.817 49.817 50.117 -0.300 19147 4157 1 17 . 1 1 24 24 ALA CB C 24 19.920 19.920 22.980 -3.060 19147 4158 1 17 . 1 1 24 24 ALA H H 24 8.732 8.732 8.388 0.344 19147 4159 1 17 . 1 1 25 25 LYS N N 25 122.456 122.456 124.734 -2.278 19147 4160 1 17 . 1 1 25 25 LYS HA H 25 4.260 4.260 4.375 -0.115 19147 4161 1 17 . 1 1 25 25 LYS C C 25 175.612 175.612 175.062 0.550 19147 4162 1 17 . 1 1 25 25 LYS CA C 25 56.269 56.269 54.753 1.516 19147 4163 1 17 . 1 1 25 25 LYS CB C 25 32.912 32.912 32.755 0.157 19147 4164 1 17 . 1 1 25 25 LYS H H 25 8.045 8.045 8.531 -0.486 19147 4165 1 17 . 1 1 26 26 TYR N N 26 128.452 128.452 130.126 -1.674 19147 4166 1 17 . 1 1 26 26 TYR HA H 26 5.275 5.275 4.826 0.449 19147 4167 1 17 . 1 1 26 26 TYR C C 26 173.550 173.550 175.303 -1.753 19147 4168 1 17 . 1 1 26 26 TYR CA C 26 54.572 54.572 56.643 -2.071 19147 4169 1 17 . 1 1 26 26 TYR CB C 26 40.463 40.463 39.406 1.057 19147 4170 1 17 . 1 1 26 26 TYR H H 26 8.734 8.734 8.527 0.207 19147 4171 1 17 . 1 1 27 27 ASP N N 27 129.563 129.563 128.855 0.708 19147 4172 1 17 . 1 1 27 27 ASP HA H 27 4.525 4.525 4.750 -0.226 19147 4173 1 17 . 1 1 27 27 ASP C C 27 175.920 175.920 176.013 -0.093 19147 4174 1 17 . 1 1 27 27 ASP CA C 27 51.470 51.470 52.669 -1.199 19147 4175 1 17 . 1 1 27 27 ASP CB C 27 42.426 42.426 41.776 0.650 19147 4176 1 17 . 1 1 27 27 ASP H H 27 8.714 8.714 9.065 -0.351 19147 4177 1 17 . 1 1 28 28 CYS N N 28 122.534 122.534 122.476 0.058 19147 4178 1 17 . 1 1 28 28 CYS HA H 28 3.753 3.753 4.079 -0.326 19147 4179 1 17 . 1 1 28 28 CYS C C 28 175.043 175.043 174.932 0.111 19147 4180 1 17 . 1 1 28 28 CYS CA C 28 58.504 58.504 60.250 -1.746 19147 4181 1 17 . 1 1 28 28 CYS CB C 28 26.501 26.501 27.726 -1.225 19147 4182 1 17 . 1 1 28 28 CYS H H 28 8.226 8.226 7.979 0.247 19147 4183 1 17 . 1 1 29 29 TYR N N 29 123.853 123.853 119.499 4.354 19147 4184 1 17 . 1 1 29 29 TYR HA H 29 4.319 4.319 4.203 0.116 19147 4185 1 17 . 1 1 29 29 TYR C C 29 177.722 177.722 176.176 1.546 19147 4186 1 17 . 1 1 29 29 TYR CA C 29 59.695 59.695 60.356 -0.661 19147 4187 1 17 . 1 1 29 29 TYR CB C 29 37.305 37.305 38.646 -1.341 19147 4188 1 17 . 1 1 29 29 TYR H H 29 8.206 8.206 7.617 0.589 19147 4189 1 17 . 1 1 30 30 LEU N N 30 117.184 117.184 114.924 2.260 19147 4190 1 17 . 1 1 30 30 LEU HA H 30 4.068 4.068 4.641 -0.573 19147 4191 1 17 . 1 1 30 30 LEU C C 30 177.058 177.058 175.463 1.595 19147 4192 1 17 . 1 1 30 30 LEU CA C 30 53.970 53.970 54.101 -0.131 19147 4193 1 17 . 1 1 30 30 LEU CB C 30 42.216 42.216 42.571 -0.355 19147 4194 1 17 . 1 1 30 30 LEU H H 30 7.681 7.681 7.587 0.094 19147 4195 1 17 . 1 1 31 31 GLN N N 31 115.267 115.267 115.559 -0.292 19147 4196 1 17 . 1 1 31 31 GLN HA H 31 3.551 3.551 4.121 -0.570 19147 4197 1 17 . 1 1 31 31 GLN C C 31 173.739 173.739 174.706 -0.967 19147 4198 1 17 . 1 1 31 31 GLN CA C 31 57.133 57.133 57.255 -0.122 19147 4199 1 17 . 1 1 31 31 GLN CB C 31 25.119 25.119 26.058 -0.939 19147 4200 1 17 . 1 1 31 31 GLN H H 31 7.740 7.740 8.048 -0.308 19147 4201 1 17 . 1 1 32 32 ARG N N 32 120.485 120.485 114.778 5.707 19147 4202 1 17 . 1 1 32 32 ARG HA H 32 5.053 5.053 4.954 0.099 19147 4203 1 17 . 1 1 32 32 ARG C C 32 173.384 173.384 173.819 -0.435 19147 4204 1 17 . 1 1 32 32 ARG CA C 32 52.928 52.928 53.679 -0.751 19147 4205 1 17 . 1 1 32 32 ARG CB C 32 36.499 36.499 34.056 2.443 19147 4206 1 17 . 1 1 32 32 ARG H H 32 7.213 7.213 7.821 -0.608 19147 4207 1 17 . 1 1 33 33 ALA N N 33 130.237 130.237 122.292 7.945 19147 4208 1 17 . 1 1 33 33 ALA HA H 33 5.295 5.295 5.424 -0.129 19147 4209 1 17 . 1 1 33 33 ALA C C 33 174.522 174.522 175.082 -0.560 19147 4210 1 17 . 1 1 33 33 ALA CA C 33 49.099 49.099 49.949 -0.850 19147 4211 1 17 . 1 1 33 33 ALA CB C 33 20.309 20.309 22.415 -2.106 19147 4212 1 17 . 1 1 33 33 ALA H H 33 8.763 8.763 8.818 -0.055 19147 4213 1 17 . 1 1 34 34 THR N N 34 114.351 114.351 116.547 -2.196 19147 4214 1 17 . 1 1 34 34 THR HA H 34 4.904 4.904 4.794 0.110 19147 4215 1 17 . 1 1 34 34 THR C C 34 173.597 173.597 174.083 -0.486 19147 4216 1 17 . 1 1 34 34 THR CA C 34 60.450 60.450 60.387 0.063 19147 4217 1 17 . 1 1 34 34 THR CB C 34 70.553 70.553 70.887 -0.334 19147 4218 1 17 . 1 1 34 34 THR H H 34 8.269 8.269 8.059 0.210 19147 4219 1 17 . 1 1 35 35 CYS N N 35 133.180 133.180 127.574 5.606 19147 4220 1 17 . 1 1 35 35 CYS HA H 35 3.909 3.909 4.284 -0.375 19147 4221 1 17 . 1 1 35 35 CYS C C 35 175.825 175.825 175.191 0.634 19147 4222 1 17 . 1 1 35 35 CYS CA C 35 61.216 61.216 60.344 0.872 19147 4223 1 17 . 1 1 35 35 CYS CB C 35 31.563 31.563 28.165 3.398 19147 4224 1 17 . 1 1 35 35 CYS H H 35 9.133 9.133 8.552 0.581 19147 4225 1 17 . 1 1 36 36 LYS N N 36 125.753 125.753 128.281 -2.528 19147 4226 1 17 . 1 1 36 36 LYS HA H 36 4.324 4.324 4.004 0.320 19147 4227 1 17 . 1 1 36 36 LYS C C 36 176.323 176.323 176.570 -0.247 19147 4228 1 17 . 1 1 36 36 LYS CA C 36 55.921 55.921 57.104 -1.183 19147 4229 1 17 . 1 1 36 36 LYS CB C 36 32.422 32.422 32.246 0.176 19147 4230 1 17 . 1 1 36 36 LYS H H 36 8.343 8.343 8.344 -0.001 19147 4231 1 17 . 1 1 37 37 ARG N N 37 127.726 127.726 121.972 5.754 19147 4232 1 17 . 1 1 37 37 ARG HA H 37 4.133 4.133 4.158 -0.025 19147 4233 1 17 . 1 1 37 37 ARG C C 37 177.650 177.650 177.274 0.376 19147 4234 1 17 . 1 1 37 37 ARG CA C 37 56.595 56.595 56.621 -0.026 19147 4235 1 17 . 1 1 37 37 ARG CB C 37 30.759 30.759 30.924 -0.165 19147 4236 1 17 . 1 1 37 37 ARG H H 37 9.381 9.381 7.846 1.535 19147 4237 1 17 . 1 1 38 38 GLU N N 38 131.710 131.710 125.900 5.810 19147 4238 1 17 . 1 1 38 38 GLU HA H 38 3.933 3.933 4.086 -0.153 19147 4239 1 17 . 1 1 38 38 GLU C C 38 177.342 177.342 178.682 -1.340 19147 4240 1 17 . 1 1 38 38 GLU CA C 38 58.288 58.288 59.386 -1.098 19147 4241 1 17 . 1 1 38 38 GLU CB C 38 28.628 28.628 29.373 -0.745 19147 4242 1 17 . 1 1 38 38 GLU H H 38 9.079 9.079 8.921 0.158 19147 4243 1 17 . 1 1 39 39 GLY N N 39 112.546 112.546 107.722 4.824 19147 4244 1 17 . 1 1 39 39 GLY C C 39 173.431 173.431 174.770 -1.339 19147 4245 1 17 . 1 1 39 39 GLY CA C 39 44.725 44.725 46.459 -1.734 19147 4246 1 17 . 1 1 39 39 GLY H H 39 8.693 8.693 8.784 -0.091 19147 4247 1 17 . 1 1 40 40 CYS N N 40 123.383 123.383 118.996 4.387 19147 4248 1 17 . 1 1 40 40 CYS HA H 40 4.492 4.492 4.649 -0.157 19147 4249 1 17 . 1 1 40 40 CYS C C 40 175.659 175.659 175.397 0.262 19147 4250 1 17 . 1 1 40 40 CYS CA C 40 59.558 59.558 59.800 -0.242 19147 4251 1 17 . 1 1 40 40 CYS CB C 40 30.181 30.181 30.242 -0.061 19147 4252 1 17 . 1 1 40 40 CYS H H 40 7.838 7.838 7.587 0.251 19147 4253 1 17 . 1 1 41 41 GLY N N 41 108.697 108.697 109.818 -1.121 19147 4254 1 17 . 1 1 41 41 GLY C C 41 174.261 174.261 173.567 0.694 19147 4255 1 17 . 1 1 41 41 GLY CA C 41 46.283 46.283 46.276 0.007 19147 4256 1 17 . 1 1 41 41 GLY H H 41 8.109 8.109 8.308 -0.199 19147 4257 1 17 . 1 1 42 42 PHE N N 42 124.198 124.198 117.366 6.832 19147 4258 1 17 . 1 1 42 42 PHE HA H 42 4.579 4.579 4.916 -0.337 19147 4259 1 17 . 1 1 42 42 PHE C C 42 172.886 172.886 173.861 -0.975 19147 4260 1 17 . 1 1 42 42 PHE CA C 42 58.164 58.164 54.123 4.041 19147 4261 1 17 . 1 1 42 42 PHE CB C 42 38.872 38.872 41.362 -2.490 19147 4262 1 17 . 1 1 42 42 PHE H H 42 8.140 8.140 7.503 0.637 19147 4263 1 17 . 1 1 43 43 ASP N N 43 129.158 129.158 121.349 7.809 19147 4264 1 17 . 1 1 43 43 ASP HA H 43 5.377 5.377 4.620 0.757 19147 4265 1 17 . 1 1 43 43 ASP C C 43 175.493 175.493 175.206 0.287 19147 4266 1 17 . 1 1 43 43 ASP CA C 43 51.991 51.991 53.399 -1.408 19147 4267 1 17 . 1 1 43 43 ASP CB C 43 42.089 42.089 42.203 -0.113 19147 4268 1 17 . 1 1 43 43 ASP H H 43 7.830 7.830 8.524 -0.694 19147 4269 1 17 . 1 1 44 44 TYR N N 44 121.015 121.015 116.656 4.359 19147 4270 1 17 . 1 1 44 44 TYR HA H 44 5.072 5.072 5.217 -0.145 19147 4271 1 17 . 1 1 44 44 TYR C C 44 173.882 173.882 174.067 -0.185 19147 4272 1 17 . 1 1 44 44 TYR CA C 44 54.551 54.551 56.641 -2.090 19147 4273 1 17 . 1 1 44 44 TYR CB C 44 41.061 41.061 39.795 1.266 19147 4274 1 17 . 1 1 44 44 TYR H H 44 9.264 9.264 7.809 1.455 19147 4275 1 17 . 1 1 45 45 CYS N N 45 121.008 121.008 120.394 0.614 19147 4276 1 17 . 1 1 45 45 CYS HA H 45 5.157 5.157 4.595 0.562 19147 4277 1 17 . 1 1 45 45 CYS C C 45 178.385 178.385 176.150 2.235 19147 4278 1 17 . 1 1 45 45 CYS CA C 45 56.934 56.934 61.650 -4.716 19147 4279 1 17 . 1 1 45 45 CYS CB C 45 31.953 31.953 28.772 3.181 19147 4280 1 17 . 1 1 45 45 CYS H H 45 8.420 8.420 9.184 -0.764 19147 4281 1 17 . 1 1 46 46 THR N N 46 120.657 120.657 117.875 2.782 19147 4282 1 17 . 1 1 46 46 THR HA H 46 4.090 4.090 4.219 -0.129 19147 4283 1 17 . 1 1 46 46 THR C C 46 174.593 174.593 175.497 -0.904 19147 4284 1 17 . 1 1 46 46 THR CA C 46 64.084 64.084 64.495 -0.411 19147 4285 1 17 . 1 1 46 46 THR CB C 46 66.577 66.577 68.887 -2.310 19147 4286 1 17 . 1 1 46 46 THR H H 46 8.518 8.518 8.665 -0.147 19147 4287 1 17 . 1 1 47 47 LYS N N 47 124.516 124.516 120.112 4.404 19147 4288 1 17 . 1 1 47 47 LYS HA H 47 4.377 4.377 4.347 0.030 19147 4289 1 17 . 1 1 47 47 LYS C C 47 177.319 177.319 177.984 -0.665 19147 4290 1 17 . 1 1 47 47 LYS CA C 47 58.163 58.163 58.549 -0.386 19147 4291 1 17 . 1 1 47 47 LYS CB C 47 32.753 32.753 31.722 1.031 19147 4292 1 17 . 1 1 47 47 LYS H H 47 9.452 9.452 8.250 1.202 19147 4293 1 17 . 1 1 48 48 CYS N N 48 116.543 116.543 118.459 -1.916 19147 4294 1 17 . 1 1 48 48 CYS HA H 48 4.817 4.817 4.370 0.448 19147 4295 1 17 . 1 1 48 48 CYS C C 48 175.920 175.920 174.980 0.940 19147 4296 1 17 . 1 1 48 48 CYS CA C 48 57.997 57.997 58.875 -0.878 19147 4297 1 17 . 1 1 48 48 CYS CB C 48 32.109 32.109 27.791 4.318 19147 4298 1 17 . 1 1 48 48 CYS H H 48 8.244 8.244 8.273 -0.029 19147 4299 1 17 . 1 1 49 49 LEU N N 49 118.590 118.590 119.696 -1.106 19147 4300 1 17 . 1 1 49 49 LEU HA H 49 4.247 4.247 4.485 -0.238 19147 4301 1 17 . 1 1 49 49 LEU C C 49 176.916 176.916 175.800 1.116 19147 4302 1 17 . 1 1 49 49 LEU CA C 49 56.333 56.333 56.027 0.306 19147 4303 1 17 . 1 1 49 49 LEU CB C 49 36.861 36.861 40.050 -3.189 19147 4304 1 17 . 1 1 49 49 LEU H H 49 8.181 8.181 8.116 0.065 19147 4305 1 17 . 1 1 50 50 CYS N N 50 115.484 115.484 116.881 -1.397 19147 4306 1 17 . 1 1 50 50 CYS HA H 50 4.938 4.938 4.626 0.312 19147 4307 1 17 . 1 1 50 50 CYS C C 50 173.194 173.194 174.025 -0.831 19147 4308 1 17 . 1 1 50 50 CYS CA C 50 57.589 57.589 56.379 1.210 19147 4309 1 17 . 1 1 50 50 CYS CB C 50 30.662 30.662 31.010 -0.348 19147 4310 1 17 . 1 1 50 50 CYS H H 50 8.001 8.001 7.867 0.134 19147 4311 1 17 . 1 1 51 51 ASN N N 51 116.975 116.975 120.296 -3.321 19147 4312 1 17 . 1 1 51 51 ASN HA H 51 4.427 4.427 4.634 -0.207 19147 4313 1 17 . 1 1 51 51 ASN C C 51 174.640 174.640 175.042 -0.402 19147 4314 1 17 . 1 1 51 51 ASN CA C 51 54.190 54.190 54.391 -0.201 19147 4315 1 17 . 1 1 51 51 ASN CB C 51 38.421 38.421 38.645 -0.224 19147 4316 1 17 . 1 1 51 51 ASN H H 51 8.453 8.453 8.799 -0.346 19147 4317 1 17 . 1 1 52 52 TYR N N 52 123.645 123.645 124.929 -1.284 19147 4318 1 17 . 1 1 52 52 TYR HA H 52 3.628 3.628 4.295 -0.667 19147 4319 1 17 . 1 1 52 52 TYR C C 52 173.953 173.953 176.384 -2.431 19147 4320 1 17 . 1 1 52 52 TYR CA C 52 61.742 61.742 59.440 2.302 19147 4321 1 17 . 1 1 52 52 TYR CB C 52 37.030 37.030 38.799 -1.769 19147 4322 1 17 . 1 1 52 52 TYR H H 52 8.903 8.903 8.458 0.445 19147 4323 1 17 . 1 1 53 53 HIS N N 53 123.135 123.135 128.169 -5.034 19147 4324 1 17 . 1 1 53 53 HIS HA H 53 4.673 4.673 4.571 0.102 19147 4325 1 17 . 1 1 53 53 HIS C C 53 173.360 173.360 174.860 -1.500 19147 4326 1 17 . 1 1 53 53 HIS CA C 53 51.116 51.116 57.074 -5.958 19147 4327 1 17 . 1 1 53 53 HIS CB C 53 29.297 29.297 27.838 1.459 19147 4328 1 17 . 1 1 53 53 HIS H H 53 5.918 5.918 8.715 -2.797 19147 4329 1 17 . 1 1 54 54 THR N N 54 110.786 110.786 118.439 -7.653 19147 4330 1 17 . 1 1 54 54 THR HA H 54 3.786 3.786 4.494 -0.708 19147 4331 1 17 . 1 1 54 54 THR C C 54 175.778 175.778 175.542 0.236 19147 4332 1 17 . 1 1 54 54 THR CA C 54 62.088 62.088 63.732 -1.644 19147 4333 1 17 . 1 1 54 54 THR CB C 54 68.634 68.634 69.805 -1.171 19147 4334 1 17 . 1 1 54 54 THR H H 54 7.632 7.632 8.360 -0.728 19147 4335 1 17 . 1 1 55 55 THR N N 55 113.157 113.157 115.020 -1.863 19147 4336 1 17 . 1 1 55 55 THR HA H 55 4.656 4.656 4.564 0.092 19147 4337 1 17 . 1 1 55 55 THR C C 55 175.209 175.209 175.027 0.182 19147 4338 1 17 . 1 1 55 55 THR CA C 55 60.909 60.909 63.401 -2.493 19147 4339 1 17 . 1 1 55 55 THR CB C 55 68.720 68.720 69.691 -0.971 19147 4340 1 17 . 1 1 55 55 THR H H 55 7.746 7.746 8.177 -0.431 19147 4341 1 17 . 1 1 56 56 LYS N N 56 122.548 122.548 121.868 0.680 19147 4342 1 17 . 1 1 56 56 LYS HA H 56 4.247 4.247 4.265 -0.018 19147 4343 1 17 . 1 1 56 56 LYS C C 56 176.726 176.726 175.729 0.997 19147 4344 1 17 . 1 1 56 56 LYS CA C 56 56.714 56.714 56.987 -0.273 19147 4345 1 17 . 1 1 56 56 LYS CB C 56 32.279 32.279 32.678 -0.399 19147 4346 1 17 . 1 1 56 56 LYS H H 56 8.344 8.344 8.253 0.091 19147 4347 1 17 . 1 1 57 57 ASP N N 57 119.260 119.260 117.399 1.861 19147 4348 1 17 . 1 1 57 57 ASP HA H 57 4.684 4.684 4.308 0.376 19147 4349 1 17 . 1 1 57 57 ASP C C 57 176.323 176.323 176.044 0.279 19147 4350 1 17 . 1 1 57 57 ASP CA C 57 53.331 53.331 54.615 -1.284 19147 4351 1 17 . 1 1 57 57 ASP CB C 57 41.168 41.168 39.293 1.875 19147 4352 1 17 . 1 1 57 57 ASP H H 57 8.201 8.201 8.060 0.141 19147 4353 1 18 . 1 1 14 14 LEU N N 14 123.914 123.914 122.926 0.988 19147 4354 1 18 . 1 1 14 14 LEU HA H 14 4.914 4.914 4.847 0.067 19147 4355 1 18 . 1 1 14 14 LEU C C 14 176.963 176.963 176.870 0.093 19147 4356 1 18 . 1 1 14 14 LEU CA C 14 54.055 54.055 54.212 -0.157 19147 4357 1 18 . 1 1 14 14 LEU CB C 14 44.013 44.013 42.810 1.202 19147 4358 1 18 . 1 1 14 14 LEU H H 14 8.089 8.089 7.867 0.222 19147 4359 1 18 . 1 1 15 15 LYS N N 15 121.013 121.013 120.609 0.404 19147 4360 1 18 . 1 1 15 15 LYS HA H 15 4.323 4.323 4.558 -0.235 19147 4361 1 18 . 1 1 15 15 LYS C C 15 174.711 174.711 175.708 -0.997 19147 4362 1 18 . 1 1 15 15 LYS CA C 15 53.956 53.956 53.858 0.098 19147 4363 1 18 . 1 1 15 15 LYS CB C 15 35.171 35.171 34.002 1.169 19147 4364 1 18 . 1 1 15 15 LYS H H 15 8.548 8.548 8.416 0.132 19147 4365 1 18 . 1 1 16 16 ALA N N 16 124.835 124.835 122.554 2.281 19147 4366 1 18 . 1 1 16 16 ALA HA H 16 4.424 4.424 4.721 -0.297 19147 4367 1 18 . 1 1 16 16 ALA C C 16 176.513 176.513 176.835 -0.322 19147 4368 1 18 . 1 1 16 16 ALA CA C 16 50.701 50.701 50.550 0.151 19147 4369 1 18 . 1 1 16 16 ALA CB C 16 19.404 19.404 18.976 0.428 19147 4370 1 18 . 1 1 16 16 ALA H H 16 8.119 8.119 8.360 -0.241 19147 4371 1 18 . 1 1 17 17 CYS N N 17 125.963 125.963 122.538 3.425 19147 4372 1 18 . 1 1 17 17 CYS HA H 17 4.530 4.530 4.220 0.310 19147 4373 1 18 . 1 1 17 17 CYS C C 17 179.428 179.428 177.081 2.347 19147 4374 1 18 . 1 1 17 17 CYS CA C 17 59.687 59.687 60.208 -0.521 19147 4375 1 18 . 1 1 17 17 CYS CB C 17 31.087 31.087 29.764 1.323 19147 4376 1 18 . 1 1 17 17 CYS H H 17 9.517 9.517 8.128 1.389 19147 4377 1 18 . 1 1 18 18 ILE N N 18 124.917 124.917 121.714 3.203 19147 4378 1 18 . 1 1 18 18 ILE HA H 18 4.039 4.039 4.173 -0.134 19147 4379 1 18 . 1 1 18 18 ILE C C 18 175.825 175.825 175.902 -0.077 19147 4380 1 18 . 1 1 18 18 ILE CA C 18 62.353 62.353 62.890 -0.537 19147 4381 1 18 . 1 1 18 18 ILE CB C 18 37.671 37.671 37.328 0.343 19147 4382 1 18 . 1 1 18 18 ILE H H 18 7.244 7.244 8.515 -1.271 19147 4383 1 18 . 1 1 19 19 ARG N N 19 124.247 124.247 123.037 1.210 19147 4384 1 18 . 1 1 19 19 ARG HA H 19 4.235 4.235 4.253 -0.018 19147 4385 1 18 . 1 1 19 19 ARG C C 19 177.413 177.413 176.630 0.783 19147 4386 1 18 . 1 1 19 19 ARG CA C 19 57.820 57.820 58.474 -0.654 19147 4387 1 18 . 1 1 19 19 ARG CB C 19 31.496 31.496 30.775 0.721 19147 4388 1 18 . 1 1 19 19 ARG H H 19 9.392 9.392 8.180 1.212 19147 4389 1 18 . 1 1 20 20 CYS N N 20 118.959 118.959 114.935 4.024 19147 4390 1 18 . 1 1 20 20 CYS HA H 20 4.933 4.933 4.919 0.014 19147 4391 1 18 . 1 1 20 20 CYS C C 20 178.409 178.409 173.552 4.857 19147 4392 1 18 . 1 1 20 20 CYS CA C 20 58.663 58.663 56.636 2.027 19147 4393 1 18 . 1 1 20 20 CYS CB C 20 32.067 32.067 29.270 2.797 19147 4394 1 18 . 1 1 20 20 CYS H H 20 8.541 8.541 7.704 0.837 19147 4395 1 18 . 1 1 21 21 ASN N N 21 120.450 120.450 118.791 1.659 19147 4396 1 18 . 1 1 21 21 ASN HA H 21 4.422 4.422 4.396 0.026 19147 4397 1 18 . 1 1 21 21 ASN C C 21 174.237 174.237 174.415 -0.178 19147 4398 1 18 . 1 1 21 21 ASN CA C 21 55.172 55.172 54.045 1.127 19147 4399 1 18 . 1 1 21 21 ASN CB C 21 38.545 38.545 37.037 1.508 19147 4400 1 18 . 1 1 21 21 ASN H H 21 8.533 8.533 8.129 0.404 19147 4401 1 18 . 1 1 22 22 SER N N 22 119.717 119.717 113.796 5.921 19147 4402 1 18 . 1 1 22 22 SER HA H 22 4.643 4.643 4.661 -0.018 19147 4403 1 18 . 1 1 22 22 SER CA C 22 58.269 58.269 57.004 1.265 19147 4404 1 18 . 1 1 22 22 SER CB C 22 61.998 61.998 64.453 -2.455 19147 4405 1 18 . 1 1 22 22 SER H H 22 8.742 8.742 8.238 0.504 19147 4406 1 18 . 1 1 23 23 PRO HA H 23 4.375 4.375 4.738 -0.363 19147 4407 1 18 . 1 1 23 23 PRO CA C 23 64.211 64.211 62.945 1.266 19147 4408 1 18 . 1 1 23 23 PRO CB C 23 31.883 31.883 31.177 0.706 19147 4409 1 18 . 1 1 24 24 ALA N N 24 126.670 126.670 128.409 -1.739 19147 4410 1 18 . 1 1 24 24 ALA HA H 24 4.756 4.756 4.560 0.196 19147 4411 1 18 . 1 1 24 24 ALA C C 24 176.157 176.157 176.964 -0.807 19147 4412 1 18 . 1 1 24 24 ALA CA C 24 49.817 49.817 49.985 -0.168 19147 4413 1 18 . 1 1 24 24 ALA CB C 24 19.920 19.920 21.157 -1.237 19147 4414 1 18 . 1 1 24 24 ALA H H 24 8.732 8.732 8.122 0.610 19147 4415 1 18 . 1 1 25 25 LYS N N 25 122.456 122.456 126.649 -4.193 19147 4416 1 18 . 1 1 25 25 LYS HA H 25 4.260 4.260 4.145 0.115 19147 4417 1 18 . 1 1 25 25 LYS C C 25 175.612 175.612 175.610 0.002 19147 4418 1 18 . 1 1 25 25 LYS CA C 25 56.269 56.269 56.094 0.175 19147 4419 1 18 . 1 1 25 25 LYS CB C 25 32.912 32.912 32.107 0.805 19147 4420 1 18 . 1 1 25 25 LYS H H 25 8.045 8.045 8.342 -0.297 19147 4421 1 18 . 1 1 26 26 TYR N N 26 128.452 128.452 129.119 -0.667 19147 4422 1 18 . 1 1 26 26 TYR HA H 26 5.275 5.275 4.589 0.686 19147 4423 1 18 . 1 1 26 26 TYR C C 26 173.550 173.550 175.255 -1.705 19147 4424 1 18 . 1 1 26 26 TYR CA C 26 54.572 54.572 57.316 -2.744 19147 4425 1 18 . 1 1 26 26 TYR CB C 26 40.463 40.463 39.083 1.380 19147 4426 1 18 . 1 1 26 26 TYR H H 26 8.734 8.734 8.324 0.410 19147 4427 1 18 . 1 1 27 27 ASP N N 27 129.563 129.563 129.010 0.553 19147 4428 1 18 . 1 1 27 27 ASP HA H 27 4.525 4.525 4.770 -0.245 19147 4429 1 18 . 1 1 27 27 ASP C C 27 175.920 175.920 176.372 -0.452 19147 4430 1 18 . 1 1 27 27 ASP CA C 27 51.470 51.470 52.521 -1.051 19147 4431 1 18 . 1 1 27 27 ASP CB C 27 42.426 42.426 41.149 1.277 19147 4432 1 18 . 1 1 27 27 ASP H H 27 8.714 8.714 8.911 -0.197 19147 4433 1 18 . 1 1 28 28 CYS N N 28 122.534 122.534 120.995 1.539 19147 4434 1 18 . 1 1 28 28 CYS HA H 28 3.753 3.753 4.040 -0.287 19147 4435 1 18 . 1 1 28 28 CYS C C 28 175.043 175.043 175.562 -0.519 19147 4436 1 18 . 1 1 28 28 CYS CA C 28 58.504 58.504 59.725 -1.221 19147 4437 1 18 . 1 1 28 28 CYS CB C 28 26.501 26.501 27.123 -0.622 19147 4438 1 18 . 1 1 28 28 CYS H H 28 8.226 8.226 8.157 0.069 19147 4439 1 18 . 1 1 29 29 TYR N N 29 123.853 123.853 120.199 3.654 19147 4440 1 18 . 1 1 29 29 TYR HA H 29 4.319 4.319 4.176 0.143 19147 4441 1 18 . 1 1 29 29 TYR C C 29 177.722 177.722 176.305 1.417 19147 4442 1 18 . 1 1 29 29 TYR CA C 29 59.695 59.695 60.924 -1.229 19147 4443 1 18 . 1 1 29 29 TYR CB C 29 37.305 37.305 38.814 -1.509 19147 4444 1 18 . 1 1 29 29 TYR H H 29 8.206 8.206 7.903 0.303 19147 4445 1 18 . 1 1 30 30 LEU N N 30 117.184 117.184 114.618 2.566 19147 4446 1 18 . 1 1 30 30 LEU HA H 30 4.068 4.068 4.631 -0.563 19147 4447 1 18 . 1 1 30 30 LEU C C 30 177.058 177.058 175.548 1.510 19147 4448 1 18 . 1 1 30 30 LEU CA C 30 53.970 53.970 54.046 -0.076 19147 4449 1 18 . 1 1 30 30 LEU CB C 30 42.216 42.216 42.623 -0.407 19147 4450 1 18 . 1 1 30 30 LEU H H 30 7.681 7.681 7.588 0.093 19147 4451 1 18 . 1 1 31 31 GLN N N 31 115.267 115.267 115.829 -0.562 19147 4452 1 18 . 1 1 31 31 GLN HA H 31 3.551 3.551 4.060 -0.509 19147 4453 1 18 . 1 1 31 31 GLN C C 31 173.739 173.739 174.400 -0.661 19147 4454 1 18 . 1 1 31 31 GLN CA C 31 57.133 57.133 57.224 -0.091 19147 4455 1 18 . 1 1 31 31 GLN CB C 31 25.119 25.119 26.077 -0.958 19147 4456 1 18 . 1 1 31 31 GLN H H 31 7.740 7.740 7.973 -0.233 19147 4457 1 18 . 1 1 32 32 ARG N N 32 120.485 120.485 115.104 5.381 19147 4458 1 18 . 1 1 32 32 ARG HA H 32 5.053 5.053 5.254 -0.201 19147 4459 1 18 . 1 1 32 32 ARG C C 32 173.384 173.384 173.584 -0.200 19147 4460 1 18 . 1 1 32 32 ARG CA C 32 52.928 52.928 53.656 -0.728 19147 4461 1 18 . 1 1 32 32 ARG CB C 32 36.499 36.499 34.851 1.648 19147 4462 1 18 . 1 1 32 32 ARG H H 32 7.213 7.213 7.880 -0.667 19147 4463 1 18 . 1 1 33 33 ALA N N 33 130.237 130.237 123.251 6.986 19147 4464 1 18 . 1 1 33 33 ALA HA H 33 5.295 5.295 5.349 -0.054 19147 4465 1 18 . 1 1 33 33 ALA C C 33 174.522 174.522 175.345 -0.823 19147 4466 1 18 . 1 1 33 33 ALA CA C 33 49.099 49.099 49.843 -0.744 19147 4467 1 18 . 1 1 33 33 ALA CB C 33 20.309 20.309 22.124 -1.815 19147 4468 1 18 . 1 1 33 33 ALA H H 33 8.763 8.763 8.725 0.038 19147 4469 1 18 . 1 1 34 34 THR N N 34 114.351 114.351 117.691 -3.340 19147 4470 1 18 . 1 1 34 34 THR HA H 34 4.904 4.904 4.878 0.026 19147 4471 1 18 . 1 1 34 34 THR C C 34 173.597 173.597 174.705 -1.108 19147 4472 1 18 . 1 1 34 34 THR CA C 34 60.450 60.450 60.202 0.248 19147 4473 1 18 . 1 1 34 34 THR CB C 34 70.553 70.553 69.759 0.794 19147 4474 1 18 . 1 1 34 34 THR H H 34 8.269 8.269 8.141 0.128 19147 4475 1 18 . 1 1 35 35 CYS N N 35 133.180 133.180 127.570 5.610 19147 4476 1 18 . 1 1 35 35 CYS HA H 35 3.909 3.909 4.140 -0.231 19147 4477 1 18 . 1 1 35 35 CYS C C 35 175.825 175.825 174.842 0.983 19147 4478 1 18 . 1 1 35 35 CYS CA C 35 61.216 61.216 60.339 0.877 19147 4479 1 18 . 1 1 35 35 CYS CB C 35 31.563 31.563 28.364 3.199 19147 4480 1 18 . 1 1 35 35 CYS H H 35 9.133 9.133 8.567 0.566 19147 4481 1 18 . 1 1 36 36 LYS N N 36 125.753 125.753 128.834 -3.081 19147 4482 1 18 . 1 1 36 36 LYS HA H 36 4.324 4.324 4.337 -0.013 19147 4483 1 18 . 1 1 36 36 LYS C C 36 176.323 176.323 175.293 1.030 19147 4484 1 18 . 1 1 36 36 LYS CA C 36 55.921 55.921 55.305 0.616 19147 4485 1 18 . 1 1 36 36 LYS CB C 36 32.422 32.422 31.633 0.789 19147 4486 1 18 . 1 1 36 36 LYS H H 36 8.343 8.343 8.091 0.252 19147 4487 1 18 . 1 1 37 37 ARG N N 37 127.726 127.726 119.786 7.940 19147 4488 1 18 . 1 1 37 37 ARG HA H 37 4.133 4.133 4.433 -0.300 19147 4489 1 18 . 1 1 37 37 ARG C C 37 177.650 177.650 177.027 0.623 19147 4490 1 18 . 1 1 37 37 ARG CA C 37 56.595 56.595 55.451 1.144 19147 4491 1 18 . 1 1 37 37 ARG CB C 37 30.759 30.759 31.706 -0.947 19147 4492 1 18 . 1 1 37 37 ARG H H 37 9.381 9.381 7.436 1.945 19147 4493 1 18 . 1 1 38 38 GLU N N 38 131.710 131.710 124.819 6.891 19147 4494 1 18 . 1 1 38 38 GLU HA H 38 3.933 3.933 4.237 -0.304 19147 4495 1 18 . 1 1 38 38 GLU C C 38 177.342 177.342 177.084 0.258 19147 4496 1 18 . 1 1 38 38 GLU CA C 38 58.288 58.288 58.065 0.223 19147 4497 1 18 . 1 1 38 38 GLU CB C 38 28.628 28.628 29.563 -0.935 19147 4498 1 18 . 1 1 38 38 GLU H H 38 9.079 9.079 8.922 0.157 19147 4499 1 18 . 1 1 39 39 GLY N N 39 112.546 112.546 106.636 5.910 19147 4500 1 18 . 1 1 39 39 GLY C C 39 173.431 173.431 174.946 -1.515 19147 4501 1 18 . 1 1 39 39 GLY CA C 39 44.725 44.725 45.257 -0.532 19147 4502 1 18 . 1 1 39 39 GLY H H 39 8.693 8.693 8.513 0.180 19147 4503 1 18 . 1 1 40 40 CYS N N 40 123.383 123.383 118.760 4.623 19147 4504 1 18 . 1 1 40 40 CYS HA H 40 4.492 4.492 4.681 -0.189 19147 4505 1 18 . 1 1 40 40 CYS C C 40 175.659 175.659 175.110 0.549 19147 4506 1 18 . 1 1 40 40 CYS CA C 40 59.558 59.558 58.895 0.663 19147 4507 1 18 . 1 1 40 40 CYS CB C 40 30.181 30.181 30.007 0.174 19147 4508 1 18 . 1 1 40 40 CYS H H 40 7.838 7.838 7.307 0.531 19147 4509 1 18 . 1 1 41 41 GLY N N 41 108.697 108.697 109.447 -0.750 19147 4510 1 18 . 1 1 41 41 GLY C C 41 174.261 174.261 173.651 0.610 19147 4511 1 18 . 1 1 41 41 GLY CA C 41 46.283 46.283 46.171 0.112 19147 4512 1 18 . 1 1 41 41 GLY H H 41 8.109 8.109 8.204 -0.095 19147 4513 1 18 . 1 1 42 42 PHE N N 42 124.198 124.198 116.787 7.411 19147 4514 1 18 . 1 1 42 42 PHE HA H 42 4.579 4.579 4.919 -0.340 19147 4515 1 18 . 1 1 42 42 PHE C C 42 172.886 172.886 173.788 -0.902 19147 4516 1 18 . 1 1 42 42 PHE CA C 42 58.164 58.164 54.542 3.622 19147 4517 1 18 . 1 1 42 42 PHE CB C 42 38.872 38.872 41.602 -2.730 19147 4518 1 18 . 1 1 42 42 PHE H H 42 8.140 8.140 7.700 0.440 19147 4519 1 18 . 1 1 43 43 ASP N N 43 129.158 129.158 120.824 8.334 19147 4520 1 18 . 1 1 43 43 ASP HA H 43 5.377 5.377 4.674 0.703 19147 4521 1 18 . 1 1 43 43 ASP C C 43 175.493 175.493 175.114 0.379 19147 4522 1 18 . 1 1 43 43 ASP CA C 43 51.991 51.991 53.083 -1.092 19147 4523 1 18 . 1 1 43 43 ASP CB C 43 42.089 42.089 42.222 -0.133 19147 4524 1 18 . 1 1 43 43 ASP H H 43 7.830 7.830 8.534 -0.704 19147 4525 1 18 . 1 1 44 44 TYR N N 44 121.015 121.015 116.007 5.008 19147 4526 1 18 . 1 1 44 44 TYR HA H 44 5.072 5.072 5.127 -0.055 19147 4527 1 18 . 1 1 44 44 TYR C C 44 173.882 173.882 173.890 -0.008 19147 4528 1 18 . 1 1 44 44 TYR CA C 44 54.551 54.551 56.578 -2.027 19147 4529 1 18 . 1 1 44 44 TYR CB C 44 41.061 41.061 39.814 1.247 19147 4530 1 18 . 1 1 44 44 TYR H H 44 9.264 9.264 7.672 1.592 19147 4531 1 18 . 1 1 45 45 CYS N N 45 121.008 121.008 122.297 -1.289 19147 4532 1 18 . 1 1 45 45 CYS HA H 45 5.157 5.157 4.962 0.195 19147 4533 1 18 . 1 1 45 45 CYS C C 45 178.385 178.385 175.850 2.535 19147 4534 1 18 . 1 1 45 45 CYS CA C 45 56.934 56.934 59.811 -2.877 19147 4535 1 18 . 1 1 45 45 CYS CB C 45 31.953 31.953 28.897 3.056 19147 4536 1 18 . 1 1 45 45 CYS H H 45 8.420 8.420 8.880 -0.460 19147 4537 1 18 . 1 1 46 46 THR N N 46 120.657 120.657 120.475 0.182 19147 4538 1 18 . 1 1 46 46 THR HA H 46 4.090 4.090 4.325 -0.235 19147 4539 1 18 . 1 1 46 46 THR C C 46 174.593 174.593 174.993 -0.400 19147 4540 1 18 . 1 1 46 46 THR CA C 46 64.084 64.084 62.686 1.398 19147 4541 1 18 . 1 1 46 46 THR CB C 46 66.577 66.577 68.691 -2.114 19147 4542 1 18 . 1 1 46 46 THR H H 46 8.518 8.518 8.525 -0.007 19147 4543 1 18 . 1 1 47 47 LYS N N 47 124.516 124.516 119.919 4.597 19147 4544 1 18 . 1 1 47 47 LYS HA H 47 4.377 4.377 4.265 0.112 19147 4545 1 18 . 1 1 47 47 LYS C C 47 177.319 177.319 177.171 0.148 19147 4546 1 18 . 1 1 47 47 LYS CA C 47 58.163 58.163 58.243 -0.080 19147 4547 1 18 . 1 1 47 47 LYS CB C 47 32.753 32.753 32.351 0.402 19147 4548 1 18 . 1 1 47 47 LYS H H 47 9.452 9.452 8.743 0.709 19147 4549 1 18 . 1 1 48 48 CYS N N 48 116.543 116.543 114.194 2.349 19147 4550 1 18 . 1 1 48 48 CYS HA H 48 4.817 4.817 4.760 0.057 19147 4551 1 18 . 1 1 48 48 CYS C C 48 175.920 175.920 174.532 1.388 19147 4552 1 18 . 1 1 48 48 CYS CA C 48 57.997 57.997 57.174 0.823 19147 4553 1 18 . 1 1 48 48 CYS CB C 48 32.109 32.109 29.401 2.708 19147 4554 1 18 . 1 1 48 48 CYS H H 48 8.244 8.244 7.655 0.589 19147 4555 1 18 . 1 1 49 49 LEU N N 49 118.590 118.590 120.950 -2.360 19147 4556 1 18 . 1 1 49 49 LEU HA H 49 4.247 4.247 4.294 -0.047 19147 4557 1 18 . 1 1 49 49 LEU C C 49 176.916 176.916 176.122 0.794 19147 4558 1 18 . 1 1 49 49 LEU CA C 49 56.333 56.333 55.959 0.374 19147 4559 1 18 . 1 1 49 49 LEU CB C 49 36.861 36.861 39.234 -2.373 19147 4560 1 18 . 1 1 49 49 LEU H H 49 8.181 8.181 8.440 -0.259 19147 4561 1 18 . 1 1 50 50 CYS N N 50 115.484 115.484 117.834 -2.350 19147 4562 1 18 . 1 1 50 50 CYS HA H 50 4.938 4.938 4.755 0.183 19147 4563 1 18 . 1 1 50 50 CYS C C 50 173.194 173.194 173.742 -0.548 19147 4564 1 18 . 1 1 50 50 CYS CA C 50 57.589 57.589 56.461 1.128 19147 4565 1 18 . 1 1 50 50 CYS CB C 50 30.662 30.662 31.296 -0.634 19147 4566 1 18 . 1 1 50 50 CYS H H 50 8.001 8.001 8.162 -0.161 19147 4567 1 18 . 1 1 51 51 ASN N N 51 116.975 116.975 119.386 -2.411 19147 4568 1 18 . 1 1 51 51 ASN HA H 51 4.427 4.427 4.707 -0.280 19147 4569 1 18 . 1 1 51 51 ASN C C 51 174.640 174.640 175.347 -0.707 19147 4570 1 18 . 1 1 51 51 ASN CA C 51 54.190 54.190 54.486 -0.296 19147 4571 1 18 . 1 1 51 51 ASN CB C 51 38.421 38.421 38.278 0.143 19147 4572 1 18 . 1 1 51 51 ASN H H 51 8.453 8.453 8.414 0.039 19147 4573 1 18 . 1 1 52 52 TYR N N 52 123.645 123.645 125.122 -1.477 19147 4574 1 18 . 1 1 52 52 TYR HA H 52 3.628 3.628 4.270 -0.642 19147 4575 1 18 . 1 1 52 52 TYR C C 52 173.953 173.953 177.197 -3.244 19147 4576 1 18 . 1 1 52 52 TYR CA C 52 61.742 61.742 59.821 1.921 19147 4577 1 18 . 1 1 52 52 TYR CB C 52 37.030 37.030 39.677 -2.647 19147 4578 1 18 . 1 1 52 52 TYR H H 52 8.903 8.903 7.919 0.984 19147 4579 1 18 . 1 1 53 53 HIS N N 53 123.135 123.135 118.959 4.176 19147 4580 1 18 . 1 1 53 53 HIS HA H 53 4.673 4.673 4.557 0.116 19147 4581 1 18 . 1 1 53 53 HIS C C 53 173.360 173.360 176.343 -2.983 19147 4582 1 18 . 1 1 53 53 HIS CA C 53 51.116 51.116 57.902 -6.786 19147 4583 1 18 . 1 1 53 53 HIS CB C 53 29.297 29.297 29.532 -0.235 19147 4584 1 18 . 1 1 53 53 HIS H H 53 5.918 5.918 8.192 -2.274 19147 4585 1 18 . 1 1 54 54 THR N N 54 110.786 110.786 112.621 -1.835 19147 4586 1 18 . 1 1 54 54 THR HA H 54 3.786 3.786 4.117 -0.331 19147 4587 1 18 . 1 1 54 54 THR C C 54 175.778 175.778 176.950 -1.172 19147 4588 1 18 . 1 1 54 54 THR CA C 54 62.088 62.088 65.041 -2.953 19147 4589 1 18 . 1 1 54 54 THR CB C 54 68.634 68.634 68.162 0.472 19147 4590 1 18 . 1 1 54 54 THR H H 54 7.632 7.632 8.248 -0.616 19147 4591 1 18 . 1 1 55 55 THR N N 55 113.157 113.157 115.777 -2.620 19147 4592 1 18 . 1 1 55 55 THR HA H 55 4.656 4.656 4.106 0.550 19147 4593 1 18 . 1 1 55 55 THR C C 55 175.209 175.209 175.237 -0.028 19147 4594 1 18 . 1 1 55 55 THR CA C 55 60.909 60.909 64.242 -3.333 19147 4595 1 18 . 1 1 55 55 THR CB C 55 68.720 68.720 69.067 -0.347 19147 4596 1 18 . 1 1 55 55 THR H H 55 7.746 7.746 8.356 -0.610 19147 4597 1 18 . 1 1 56 56 LYS N N 56 122.548 122.548 116.604 5.944 19147 4598 1 18 . 1 1 56 56 LYS HA H 56 4.247 4.247 4.438 -0.191 19147 4599 1 18 . 1 1 56 56 LYS C C 56 176.726 176.726 174.067 2.659 19147 4600 1 18 . 1 1 56 56 LYS CA C 56 56.714 56.714 55.574 1.140 19147 4601 1 18 . 1 1 56 56 LYS CB C 56 32.279 32.279 34.180 -1.901 19147 4602 1 18 . 1 1 56 56 LYS H H 56 8.344 8.344 7.658 0.686 19147 4603 1 18 . 1 1 57 57 ASP N N 57 119.260 119.260 120.854 -1.594 19147 4604 1 18 . 1 1 57 57 ASP HA H 57 4.684 4.684 4.514 0.170 19147 4605 1 18 . 1 1 57 57 ASP C C 57 176.323 176.323 177.052 -0.729 19147 4606 1 18 . 1 1 57 57 ASP CA C 57 53.331 53.331 54.820 -1.489 19147 4607 1 18 . 1 1 57 57 ASP CB C 57 41.168 41.168 39.884 1.284 19147 4608 1 18 . 1 1 57 57 ASP H H 57 8.201 8.201 8.463 -0.262 19147 4609 1 19 . 1 1 14 14 LEU N N 14 123.914 123.914 123.598 0.316 19147 4610 1 19 . 1 1 14 14 LEU HA H 14 4.914 4.914 4.537 0.377 19147 4611 1 19 . 1 1 14 14 LEU C C 14 176.963 176.963 177.437 -0.474 19147 4612 1 19 . 1 1 14 14 LEU CA C 14 54.055 54.055 54.880 -0.825 19147 4613 1 19 . 1 1 14 14 LEU CB C 14 44.013 44.013 42.288 1.725 19147 4614 1 19 . 1 1 14 14 LEU H H 14 8.089 8.089 7.843 0.246 19147 4615 1 19 . 1 1 15 15 LYS N N 15 121.013 121.013 123.359 -2.346 19147 4616 1 19 . 1 1 15 15 LYS HA H 15 4.323 4.323 4.449 -0.126 19147 4617 1 19 . 1 1 15 15 LYS C C 15 174.711 174.711 175.913 -1.202 19147 4618 1 19 . 1 1 15 15 LYS CA C 15 53.956 53.956 54.334 -0.378 19147 4619 1 19 . 1 1 15 15 LYS CB C 15 35.171 35.171 33.321 1.850 19147 4620 1 19 . 1 1 15 15 LYS H H 15 8.548 8.548 8.260 0.288 19147 4621 1 19 . 1 1 16 16 ALA N N 16 124.835 124.835 122.108 2.727 19147 4622 1 19 . 1 1 16 16 ALA HA H 16 4.424 4.424 4.728 -0.304 19147 4623 1 19 . 1 1 16 16 ALA C C 16 176.513 176.513 177.136 -0.623 19147 4624 1 19 . 1 1 16 16 ALA CA C 16 50.701 50.701 50.468 0.233 19147 4625 1 19 . 1 1 16 16 ALA CB C 16 19.404 19.404 19.444 -0.040 19147 4626 1 19 . 1 1 16 16 ALA H H 16 8.119 8.119 8.343 -0.224 19147 4627 1 19 . 1 1 17 17 CYS N N 17 125.963 125.963 124.133 1.830 19147 4628 1 19 . 1 1 17 17 CYS HA H 17 4.530 4.530 4.410 0.120 19147 4629 1 19 . 1 1 17 17 CYS C C 17 179.428 179.428 176.750 2.678 19147 4630 1 19 . 1 1 17 17 CYS CA C 17 59.687 59.687 60.010 -0.323 19147 4631 1 19 . 1 1 17 17 CYS CB C 17 31.087 31.087 29.653 1.434 19147 4632 1 19 . 1 1 17 17 CYS H H 17 9.517 9.517 8.221 1.296 19147 4633 1 19 . 1 1 18 18 ILE N N 18 124.917 124.917 122.164 2.753 19147 4634 1 19 . 1 1 18 18 ILE HA H 18 4.039 4.039 4.146 -0.107 19147 4635 1 19 . 1 1 18 18 ILE C C 18 175.825 175.825 175.660 0.165 19147 4636 1 19 . 1 1 18 18 ILE CA C 18 62.353 62.353 62.979 -0.626 19147 4637 1 19 . 1 1 18 18 ILE CB C 18 37.671 37.671 37.407 0.264 19147 4638 1 19 . 1 1 18 18 ILE H H 18 7.244 7.244 8.698 -1.454 19147 4639 1 19 . 1 1 19 19 ARG N N 19 124.247 124.247 123.174 1.073 19147 4640 1 19 . 1 1 19 19 ARG HA H 19 4.235 4.235 4.223 0.012 19147 4641 1 19 . 1 1 19 19 ARG C C 19 177.413 177.413 176.678 0.735 19147 4642 1 19 . 1 1 19 19 ARG CA C 19 57.820 57.820 58.454 -0.634 19147 4643 1 19 . 1 1 19 19 ARG CB C 19 31.496 31.496 30.627 0.869 19147 4644 1 19 . 1 1 19 19 ARG H H 19 9.392 9.392 8.163 1.229 19147 4645 1 19 . 1 1 20 20 CYS N N 20 118.959 118.959 114.753 4.206 19147 4646 1 19 . 1 1 20 20 CYS HA H 20 4.933 4.933 4.824 0.109 19147 4647 1 19 . 1 1 20 20 CYS C C 20 178.409 178.409 173.579 4.830 19147 4648 1 19 . 1 1 20 20 CYS CA C 20 58.663 58.663 57.112 1.550 19147 4649 1 19 . 1 1 20 20 CYS CB C 20 32.067 32.067 28.982 3.085 19147 4650 1 19 . 1 1 20 20 CYS H H 20 8.541 8.541 7.931 0.610 19147 4651 1 19 . 1 1 21 21 ASN N N 21 120.450 120.450 119.670 0.780 19147 4652 1 19 . 1 1 21 21 ASN HA H 21 4.422 4.422 4.468 -0.046 19147 4653 1 19 . 1 1 21 21 ASN C C 21 174.237 174.237 174.217 0.020 19147 4654 1 19 . 1 1 21 21 ASN CA C 21 55.172 55.172 53.865 1.307 19147 4655 1 19 . 1 1 21 21 ASN CB C 21 38.545 38.545 37.768 0.777 19147 4656 1 19 . 1 1 21 21 ASN H H 21 8.533 8.533 8.067 0.466 19147 4657 1 19 . 1 1 22 22 SER N N 22 119.717 119.717 115.074 4.643 19147 4658 1 19 . 1 1 22 22 SER HA H 22 4.643 4.643 4.874 -0.231 19147 4659 1 19 . 1 1 22 22 SER CA C 22 58.269 58.269 55.605 2.664 19147 4660 1 19 . 1 1 22 22 SER CB C 22 61.998 61.998 65.682 -3.684 19147 4661 1 19 . 1 1 22 22 SER H H 22 8.742 8.742 8.023 0.719 19147 4662 1 19 . 1 1 23 23 PRO HA H 23 4.375 4.375 4.734 -0.359 19147 4663 1 19 . 1 1 23 23 PRO CA C 23 64.211 64.211 62.753 1.458 19147 4664 1 19 . 1 1 23 23 PRO CB C 23 31.883 31.883 30.657 1.226 19147 4665 1 19 . 1 1 24 24 ALA N N 24 126.670 126.670 128.536 -1.866 19147 4666 1 19 . 1 1 24 24 ALA HA H 24 4.756 4.756 4.686 0.070 19147 4667 1 19 . 1 1 24 24 ALA C C 24 176.157 176.157 176.737 -0.580 19147 4668 1 19 . 1 1 24 24 ALA CA C 24 49.817 49.817 50.194 -0.377 19147 4669 1 19 . 1 1 24 24 ALA CB C 24 19.920 19.920 21.177 -1.256 19147 4670 1 19 . 1 1 24 24 ALA H H 24 8.732 8.732 8.073 0.659 19147 4671 1 19 . 1 1 25 25 LYS N N 25 122.456 122.456 127.349 -4.893 19147 4672 1 19 . 1 1 25 25 LYS HA H 25 4.260 4.260 4.036 0.224 19147 4673 1 19 . 1 1 25 25 LYS C C 25 175.612 175.612 175.152 0.460 19147 4674 1 19 . 1 1 25 25 LYS CA C 25 56.269 56.269 56.080 0.189 19147 4675 1 19 . 1 1 25 25 LYS CB C 25 32.912 32.912 32.352 0.560 19147 4676 1 19 . 1 1 25 25 LYS H H 25 8.045 8.045 8.355 -0.310 19147 4677 1 19 . 1 1 26 26 TYR N N 26 128.452 128.452 129.754 -1.302 19147 4678 1 19 . 1 1 26 26 TYR HA H 26 5.275 5.275 4.833 0.442 19147 4679 1 19 . 1 1 26 26 TYR C C 26 173.550 173.550 175.459 -1.909 19147 4680 1 19 . 1 1 26 26 TYR CA C 26 54.572 54.572 56.556 -1.984 19147 4681 1 19 . 1 1 26 26 TYR CB C 26 40.463 40.463 39.398 1.065 19147 4682 1 19 . 1 1 26 26 TYR H H 26 8.734 8.734 8.198 0.536 19147 4683 1 19 . 1 1 27 27 ASP N N 27 129.563 129.563 128.812 0.751 19147 4684 1 19 . 1 1 27 27 ASP HA H 27 4.525 4.525 4.780 -0.255 19147 4685 1 19 . 1 1 27 27 ASP C C 27 175.920 175.920 176.043 -0.123 19147 4686 1 19 . 1 1 27 27 ASP CA C 27 51.470 51.470 52.592 -1.122 19147 4687 1 19 . 1 1 27 27 ASP CB C 27 42.426 42.426 41.517 0.909 19147 4688 1 19 . 1 1 27 27 ASP H H 27 8.714 8.714 9.052 -0.338 19147 4689 1 19 . 1 1 28 28 CYS N N 28 122.534 122.534 122.632 -0.098 19147 4690 1 19 . 1 1 28 28 CYS HA H 28 3.753 3.753 4.068 -0.315 19147 4691 1 19 . 1 1 28 28 CYS C C 28 175.043 175.043 175.440 -0.397 19147 4692 1 19 . 1 1 28 28 CYS CA C 28 58.504 58.504 60.246 -1.742 19147 4693 1 19 . 1 1 28 28 CYS CB C 28 26.501 26.501 27.558 -1.057 19147 4694 1 19 . 1 1 28 28 CYS H H 28 8.226 8.226 8.051 0.175 19147 4695 1 19 . 1 1 29 29 TYR N N 29 123.853 123.853 120.392 3.461 19147 4696 1 19 . 1 1 29 29 TYR HA H 29 4.319 4.319 4.215 0.104 19147 4697 1 19 . 1 1 29 29 TYR C C 29 177.722 177.722 176.053 1.669 19147 4698 1 19 . 1 1 29 29 TYR CA C 29 59.695 59.695 60.578 -0.883 19147 4699 1 19 . 1 1 29 29 TYR CB C 29 37.305 37.305 38.639 -1.334 19147 4700 1 19 . 1 1 29 29 TYR H H 29 8.206 8.206 7.755 0.451 19147 4701 1 19 . 1 1 30 30 LEU N N 30 117.184 117.184 115.176 2.008 19147 4702 1 19 . 1 1 30 30 LEU HA H 30 4.068 4.068 4.647 -0.579 19147 4703 1 19 . 1 1 30 30 LEU C C 30 177.058 177.058 175.720 1.338 19147 4704 1 19 . 1 1 30 30 LEU CA C 30 53.970 53.970 54.090 -0.120 19147 4705 1 19 . 1 1 30 30 LEU CB C 30 42.216 42.216 42.690 -0.474 19147 4706 1 19 . 1 1 30 30 LEU H H 30 7.681 7.681 7.628 0.053 19147 4707 1 19 . 1 1 31 31 GLN N N 31 115.267 115.267 115.951 -0.684 19147 4708 1 19 . 1 1 31 31 GLN HA H 31 3.551 3.551 4.103 -0.552 19147 4709 1 19 . 1 1 31 31 GLN C C 31 173.739 173.739 174.949 -1.210 19147 4710 1 19 . 1 1 31 31 GLN CA C 31 57.133 57.133 57.310 -0.177 19147 4711 1 19 . 1 1 31 31 GLN CB C 31 25.119 25.119 25.984 -0.865 19147 4712 1 19 . 1 1 31 31 GLN H H 31 7.740 7.740 8.004 -0.264 19147 4713 1 19 . 1 1 32 32 ARG N N 32 120.485 120.485 115.019 5.466 19147 4714 1 19 . 1 1 32 32 ARG HA H 32 5.053 5.053 4.917 0.136 19147 4715 1 19 . 1 1 32 32 ARG C C 32 173.384 173.384 173.723 -0.339 19147 4716 1 19 . 1 1 32 32 ARG CA C 32 52.928 52.928 53.972 -1.044 19147 4717 1 19 . 1 1 32 32 ARG CB C 32 36.499 36.499 33.842 2.657 19147 4718 1 19 . 1 1 32 32 ARG H H 32 7.213 7.213 7.799 -0.586 19147 4719 1 19 . 1 1 33 33 ALA N N 33 130.237 130.237 122.440 7.797 19147 4720 1 19 . 1 1 33 33 ALA HA H 33 5.295 5.295 5.385 -0.090 19147 4721 1 19 . 1 1 33 33 ALA C C 33 174.522 174.522 175.213 -0.691 19147 4722 1 19 . 1 1 33 33 ALA CA C 33 49.099 49.099 50.045 -0.946 19147 4723 1 19 . 1 1 33 33 ALA CB C 33 20.309 20.309 22.312 -2.003 19147 4724 1 19 . 1 1 33 33 ALA H H 33 8.763 8.763 8.796 -0.033 19147 4725 1 19 . 1 1 34 34 THR N N 34 114.351 114.351 116.738 -2.387 19147 4726 1 19 . 1 1 34 34 THR HA H 34 4.904 4.904 4.779 0.125 19147 4727 1 19 . 1 1 34 34 THR C C 34 173.597 173.597 174.319 -0.722 19147 4728 1 19 . 1 1 34 34 THR CA C 34 60.450 60.450 60.629 -0.179 19147 4729 1 19 . 1 1 34 34 THR CB C 34 70.553 70.553 69.620 0.933 19147 4730 1 19 . 1 1 34 34 THR H H 34 8.269 8.269 8.217 0.052 19147 4731 1 19 . 1 1 35 35 CYS N N 35 133.180 133.180 126.997 6.183 19147 4732 1 19 . 1 1 35 35 CYS HA H 35 3.909 3.909 4.228 -0.319 19147 4733 1 19 . 1 1 35 35 CYS C C 35 175.825 175.825 174.385 1.440 19147 4734 1 19 . 1 1 35 35 CYS CA C 35 61.216 61.216 59.771 1.445 19147 4735 1 19 . 1 1 35 35 CYS CB C 35 31.563 31.563 27.996 3.567 19147 4736 1 19 . 1 1 35 35 CYS H H 35 9.133 9.133 8.483 0.650 19147 4737 1 19 . 1 1 36 36 LYS N N 36 125.753 125.753 129.420 -3.667 19147 4738 1 19 . 1 1 36 36 LYS HA H 36 4.324 4.324 4.354 -0.030 19147 4739 1 19 . 1 1 36 36 LYS C C 36 176.323 176.323 175.371 0.952 19147 4740 1 19 . 1 1 36 36 LYS CA C 36 55.921 55.921 55.039 0.882 19147 4741 1 19 . 1 1 36 36 LYS CB C 36 32.422 32.422 31.205 1.217 19147 4742 1 19 . 1 1 36 36 LYS H H 36 8.343 8.343 8.028 0.315 19147 4743 1 19 . 1 1 37 37 ARG N N 37 127.726 127.726 120.862 6.864 19147 4744 1 19 . 1 1 37 37 ARG HA H 37 4.133 4.133 4.450 -0.317 19147 4745 1 19 . 1 1 37 37 ARG C C 37 177.650 177.650 176.795 0.855 19147 4746 1 19 . 1 1 37 37 ARG CA C 37 56.595 56.595 55.498 1.097 19147 4747 1 19 . 1 1 37 37 ARG CB C 37 30.759 30.759 31.688 -0.928 19147 4748 1 19 . 1 1 37 37 ARG H H 37 9.381 9.381 7.272 2.109 19147 4749 1 19 . 1 1 38 38 GLU N N 38 131.710 131.710 126.205 5.505 19147 4750 1 19 . 1 1 38 38 GLU HA H 38 3.933 3.933 4.269 -0.336 19147 4751 1 19 . 1 1 38 38 GLU C C 38 177.342 177.342 176.056 1.286 19147 4752 1 19 . 1 1 38 38 GLU CA C 38 58.288 58.288 56.162 2.126 19147 4753 1 19 . 1 1 38 38 GLU CB C 38 28.628 28.628 27.743 0.885 19147 4754 1 19 . 1 1 38 38 GLU H H 38 9.079 9.079 8.867 0.212 19147 4755 1 19 . 1 1 39 39 GLY N N 39 112.546 112.546 109.207 3.339 19147 4756 1 19 . 1 1 39 39 GLY C C 39 173.431 173.431 174.912 -1.481 19147 4757 1 19 . 1 1 39 39 GLY CA C 39 44.725 44.725 45.829 -1.104 19147 4758 1 19 . 1 1 39 39 GLY H H 39 8.693 8.693 8.572 0.121 19147 4759 1 19 . 1 1 40 40 CYS N N 40 123.383 123.383 120.132 3.251 19147 4760 1 19 . 1 1 40 40 CYS HA H 40 4.492 4.492 4.557 -0.065 19147 4761 1 19 . 1 1 40 40 CYS C C 40 175.659 175.659 176.072 -0.413 19147 4762 1 19 . 1 1 40 40 CYS CA C 40 59.558 59.558 60.069 -0.512 19147 4763 1 19 . 1 1 40 40 CYS CB C 40 30.181 30.181 29.117 1.064 19147 4764 1 19 . 1 1 40 40 CYS H H 40 7.838 7.838 7.769 0.069 19147 4765 1 19 . 1 1 41 41 GLY N N 41 108.697 108.697 109.740 -1.043 19147 4766 1 19 . 1 1 41 41 GLY C C 41 174.261 174.261 173.614 0.647 19147 4767 1 19 . 1 1 41 41 GLY CA C 41 46.283 46.283 46.241 0.042 19147 4768 1 19 . 1 1 41 41 GLY H H 41 8.109 8.109 8.309 -0.200 19147 4769 1 19 . 1 1 42 42 PHE N N 42 124.198 124.198 116.749 7.449 19147 4770 1 19 . 1 1 42 42 PHE HA H 42 4.579 4.579 4.959 -0.380 19147 4771 1 19 . 1 1 42 42 PHE C C 42 172.886 172.886 173.774 -0.888 19147 4772 1 19 . 1 1 42 42 PHE CA C 42 58.164 58.164 54.102 4.062 19147 4773 1 19 . 1 1 42 42 PHE CB C 42 38.872 38.872 41.152 -2.280 19147 4774 1 19 . 1 1 42 42 PHE H H 42 8.140 8.140 7.549 0.591 19147 4775 1 19 . 1 1 43 43 ASP N N 43 129.158 129.158 121.056 8.102 19147 4776 1 19 . 1 1 43 43 ASP HA H 43 5.377 5.377 4.652 0.725 19147 4777 1 19 . 1 1 43 43 ASP C C 43 175.493 175.493 175.164 0.329 19147 4778 1 19 . 1 1 43 43 ASP CA C 43 51.991 51.991 53.431 -1.440 19147 4779 1 19 . 1 1 43 43 ASP CB C 43 42.089 42.089 42.295 -0.206 19147 4780 1 19 . 1 1 43 43 ASP H H 43 7.830 7.830 8.541 -0.711 19147 4781 1 19 . 1 1 44 44 TYR N N 44 121.015 121.015 117.135 3.880 19147 4782 1 19 . 1 1 44 44 TYR HA H 44 5.072 5.072 5.060 0.012 19147 4783 1 19 . 1 1 44 44 TYR C C 44 173.882 173.882 173.673 0.209 19147 4784 1 19 . 1 1 44 44 TYR CA C 44 54.551 54.551 56.447 -1.896 19147 4785 1 19 . 1 1 44 44 TYR CB C 44 41.061 41.061 39.572 1.489 19147 4786 1 19 . 1 1 44 44 TYR H H 44 9.264 9.264 7.747 1.517 19147 4787 1 19 . 1 1 45 45 CYS N N 45 121.008 121.008 121.747 -0.739 19147 4788 1 19 . 1 1 45 45 CYS HA H 45 5.157 5.157 4.786 0.371 19147 4789 1 19 . 1 1 45 45 CYS C C 45 178.385 178.385 176.059 2.326 19147 4790 1 19 . 1 1 45 45 CYS CA C 45 56.934 56.934 59.617 -2.683 19147 4791 1 19 . 1 1 45 45 CYS CB C 45 31.953 31.953 29.617 2.336 19147 4792 1 19 . 1 1 45 45 CYS H H 45 8.420 8.420 8.951 -0.531 19147 4793 1 19 . 1 1 46 46 THR N N 46 120.657 120.657 119.740 0.917 19147 4794 1 19 . 1 1 46 46 THR HA H 46 4.090 4.090 4.194 -0.104 19147 4795 1 19 . 1 1 46 46 THR C C 46 174.593 174.593 175.224 -0.631 19147 4796 1 19 . 1 1 46 46 THR CA C 46 64.084 64.084 64.236 -0.151 19147 4797 1 19 . 1 1 46 46 THR CB C 46 66.577 66.577 68.577 -2.000 19147 4798 1 19 . 1 1 46 46 THR H H 46 8.518 8.518 8.692 -0.174 19147 4799 1 19 . 1 1 47 47 LYS N N 47 124.516 124.516 119.425 5.091 19147 4800 1 19 . 1 1 47 47 LYS HA H 47 4.377 4.377 4.283 0.094 19147 4801 1 19 . 1 1 47 47 LYS C C 47 177.319 177.319 177.668 -0.349 19147 4802 1 19 . 1 1 47 47 LYS CA C 47 58.163 58.163 58.703 -0.540 19147 4803 1 19 . 1 1 47 47 LYS CB C 47 32.753 32.753 32.581 0.172 19147 4804 1 19 . 1 1 47 47 LYS H H 47 9.452 9.452 8.110 1.342 19147 4805 1 19 . 1 1 48 48 CYS N N 48 116.543 116.543 116.205 0.338 19147 4806 1 19 . 1 1 48 48 CYS HA H 48 4.817 4.817 4.589 0.228 19147 4807 1 19 . 1 1 48 48 CYS C C 48 175.920 175.920 175.381 0.539 19147 4808 1 19 . 1 1 48 48 CYS CA C 48 57.997 57.997 59.126 -1.129 19147 4809 1 19 . 1 1 48 48 CYS CB C 48 32.109 32.109 28.512 3.597 19147 4810 1 19 . 1 1 48 48 CYS H H 48 8.244 8.244 8.219 0.025 19147 4811 1 19 . 1 1 49 49 LEU N N 49 118.590 118.590 119.074 -0.484 19147 4812 1 19 . 1 1 49 49 LEU HA H 49 4.247 4.247 4.380 -0.133 19147 4813 1 19 . 1 1 49 49 LEU C C 49 176.916 176.916 175.428 1.488 19147 4814 1 19 . 1 1 49 49 LEU CA C 49 56.333 56.333 56.059 0.274 19147 4815 1 19 . 1 1 49 49 LEU CB C 49 36.861 36.861 39.164 -2.303 19147 4816 1 19 . 1 1 49 49 LEU H H 49 8.181 8.181 8.025 0.156 19147 4817 1 19 . 1 1 50 50 CYS N N 50 115.484 115.484 115.579 -0.095 19147 4818 1 19 . 1 1 50 50 CYS HA H 50 4.938 4.938 4.682 0.256 19147 4819 1 19 . 1 1 50 50 CYS C C 50 173.194 173.194 174.344 -1.150 19147 4820 1 19 . 1 1 50 50 CYS CA C 50 57.589 57.589 55.995 1.594 19147 4821 1 19 . 1 1 50 50 CYS CB C 50 30.662 30.662 31.059 -0.397 19147 4822 1 19 . 1 1 50 50 CYS H H 50 8.001 8.001 7.693 0.308 19147 4823 1 19 . 1 1 51 51 ASN N N 51 116.975 116.975 119.780 -2.805 19147 4824 1 19 . 1 1 51 51 ASN HA H 51 4.427 4.427 4.673 -0.246 19147 4825 1 19 . 1 1 51 51 ASN C C 51 174.640 174.640 175.154 -0.514 19147 4826 1 19 . 1 1 51 51 ASN CA C 51 54.190 54.190 54.477 -0.287 19147 4827 1 19 . 1 1 51 51 ASN CB C 51 38.421 38.421 38.635 -0.214 19147 4828 1 19 . 1 1 51 51 ASN H H 51 8.453 8.453 8.708 -0.255 19147 4829 1 19 . 1 1 52 52 TYR N N 52 123.645 123.645 125.319 -1.674 19147 4830 1 19 . 1 1 52 52 TYR HA H 52 3.628 3.628 4.280 -0.652 19147 4831 1 19 . 1 1 52 52 TYR C C 52 173.953 173.953 177.302 -3.349 19147 4832 1 19 . 1 1 52 52 TYR CA C 52 61.742 61.742 59.863 1.879 19147 4833 1 19 . 1 1 52 52 TYR CB C 52 37.030 37.030 39.506 -2.476 19147 4834 1 19 . 1 1 52 52 TYR H H 52 8.903 8.903 8.332 0.571 19147 4835 1 19 . 1 1 53 53 HIS N N 53 123.135 123.135 119.181 3.954 19147 4836 1 19 . 1 1 53 53 HIS HA H 53 4.673 4.673 4.289 0.384 19147 4837 1 19 . 1 1 53 53 HIS C C 53 173.360 173.360 175.992 -2.632 19147 4838 1 19 . 1 1 53 53 HIS CA C 53 51.116 51.116 58.397 -7.281 19147 4839 1 19 . 1 1 53 53 HIS CB C 53 29.297 29.297 29.293 0.004 19147 4840 1 19 . 1 1 53 53 HIS H H 53 5.918 5.918 8.121 -2.203 19147 4841 1 19 . 1 1 54 54 THR N N 54 110.786 110.786 110.528 0.258 19147 4842 1 19 . 1 1 54 54 THR HA H 54 3.786 3.786 4.205 -0.419 19147 4843 1 19 . 1 1 54 54 THR C C 54 175.778 175.778 175.390 0.388 19147 4844 1 19 . 1 1 54 54 THR CA C 54 62.088 62.088 64.090 -2.002 19147 4845 1 19 . 1 1 54 54 THR CB C 54 68.634 68.634 69.248 -0.614 19147 4846 1 19 . 1 1 54 54 THR H H 54 7.632 7.632 8.417 -0.785 19147 4847 1 19 . 1 1 55 55 THR N N 55 113.157 113.157 115.485 -2.328 19147 4848 1 19 . 1 1 55 55 THR HA H 55 4.656 4.656 4.400 0.256 19147 4849 1 19 . 1 1 55 55 THR C C 55 175.209 175.209 174.928 0.281 19147 4850 1 19 . 1 1 55 55 THR CA C 55 60.909 60.909 61.281 -0.372 19147 4851 1 19 . 1 1 55 55 THR CB C 55 68.720 68.720 69.871 -1.151 19147 4852 1 19 . 1 1 55 55 THR H H 55 7.746 7.746 7.560 0.186 19147 4853 1 19 . 1 1 56 56 LYS N N 56 122.548 122.548 119.349 3.199 19147 4854 1 19 . 1 1 56 56 LYS HA H 56 4.247 4.247 4.154 0.093 19147 4855 1 19 . 1 1 56 56 LYS C C 56 176.726 176.726 176.335 0.391 19147 4856 1 19 . 1 1 56 56 LYS CA C 56 56.714 56.714 58.173 -1.459 19147 4857 1 19 . 1 1 56 56 LYS CB C 56 32.279 32.279 32.266 0.013 19147 4858 1 19 . 1 1 56 56 LYS H H 56 8.344 8.344 8.476 -0.132 19147 4859 1 19 . 1 1 57 57 ASP N N 57 119.260 119.260 115.821 3.439 19147 4860 1 19 . 1 1 57 57 ASP HA H 57 4.684 4.684 4.680 0.004 19147 4861 1 19 . 1 1 57 57 ASP C C 57 176.323 176.323 175.127 1.196 19147 4862 1 19 . 1 1 57 57 ASP CA C 57 53.331 53.331 53.150 0.181 19147 4863 1 19 . 1 1 57 57 ASP CB C 57 41.168 41.168 42.805 -1.637 19147 4864 1 19 . 1 1 57 57 ASP H H 57 8.201 8.201 7.970 0.231 19147 4865 1 20 . 1 1 14 14 LEU N N 14 123.914 123.914 122.464 1.450 19147 4866 1 20 . 1 1 14 14 LEU HA H 14 4.914 4.914 4.656 0.258 19147 4867 1 20 . 1 1 14 14 LEU C C 14 176.963 176.963 176.409 0.554 19147 4868 1 20 . 1 1 14 14 LEU CA C 14 54.055 54.055 54.240 -0.185 19147 4869 1 20 . 1 1 14 14 LEU CB C 14 44.013 44.013 43.585 0.428 19147 4870 1 20 . 1 1 14 14 LEU H H 14 8.089 8.089 7.782 0.307 19147 4871 1 20 . 1 1 15 15 LYS N N 15 121.013 121.013 119.521 1.492 19147 4872 1 20 . 1 1 15 15 LYS HA H 15 4.323 4.323 4.354 -0.031 19147 4873 1 20 . 1 1 15 15 LYS C C 15 174.711 174.711 175.378 -0.667 19147 4874 1 20 . 1 1 15 15 LYS CA C 15 53.956 53.956 55.638 -1.682 19147 4875 1 20 . 1 1 15 15 LYS CB C 15 35.171 35.171 33.774 1.397 19147 4876 1 20 . 1 1 15 15 LYS H H 15 8.548 8.548 8.304 0.244 19147 4877 1 20 . 1 1 16 16 ALA N N 16 124.835 124.835 121.662 3.173 19147 4878 1 20 . 1 1 16 16 ALA HA H 16 4.424 4.424 4.753 -0.329 19147 4879 1 20 . 1 1 16 16 ALA C C 16 176.513 176.513 177.188 -0.675 19147 4880 1 20 . 1 1 16 16 ALA CA C 16 50.701 50.701 50.548 0.153 19147 4881 1 20 . 1 1 16 16 ALA CB C 16 19.404 19.404 18.902 0.502 19147 4882 1 20 . 1 1 16 16 ALA H H 16 8.119 8.119 8.299 -0.180 19147 4883 1 20 . 1 1 17 17 CYS N N 17 125.963 125.963 122.755 3.208 19147 4884 1 20 . 1 1 17 17 CYS HA H 17 4.530 4.530 4.284 0.246 19147 4885 1 20 . 1 1 17 17 CYS C C 17 179.428 179.428 176.953 2.475 19147 4886 1 20 . 1 1 17 17 CYS CA C 17 59.687 59.687 60.017 -0.330 19147 4887 1 20 . 1 1 17 17 CYS CB C 17 31.087 31.087 29.663 1.424 19147 4888 1 20 . 1 1 17 17 CYS H H 17 9.517 9.517 8.516 1.001 19147 4889 1 20 . 1 1 18 18 ILE N N 18 124.917 124.917 121.660 3.257 19147 4890 1 20 . 1 1 18 18 ILE HA H 18 4.039 4.039 4.161 -0.122 19147 4891 1 20 . 1 1 18 18 ILE C C 18 175.825 175.825 175.968 -0.143 19147 4892 1 20 . 1 1 18 18 ILE CA C 18 62.353 62.353 62.771 -0.418 19147 4893 1 20 . 1 1 18 18 ILE CB C 18 37.671 37.671 37.692 -0.021 19147 4894 1 20 . 1 1 18 18 ILE H H 18 7.244 7.244 8.436 -1.192 19147 4895 1 20 . 1 1 19 19 ARG N N 19 124.247 124.247 121.871 2.376 19147 4896 1 20 . 1 1 19 19 ARG HA H 19 4.235 4.235 4.196 0.039 19147 4897 1 20 . 1 1 19 19 ARG C C 19 177.413 177.413 176.416 0.997 19147 4898 1 20 . 1 1 19 19 ARG CA C 19 57.820 57.820 58.429 -0.609 19147 4899 1 20 . 1 1 19 19 ARG CB C 19 31.496 31.496 30.705 0.791 19147 4900 1 20 . 1 1 19 19 ARG H H 19 9.392 9.392 8.276 1.116 19147 4901 1 20 . 1 1 20 20 CYS N N 20 118.959 118.959 114.365 4.594 19147 4902 1 20 . 1 1 20 20 CYS HA H 20 4.933 4.933 4.890 0.043 19147 4903 1 20 . 1 1 20 20 CYS C C 20 178.409 178.409 173.667 4.742 19147 4904 1 20 . 1 1 20 20 CYS CA C 20 58.663 58.663 57.168 1.495 19147 4905 1 20 . 1 1 20 20 CYS CB C 20 32.067 32.067 29.644 2.423 19147 4906 1 20 . 1 1 20 20 CYS H H 20 8.541 8.541 7.775 0.766 19147 4907 1 20 . 1 1 21 21 ASN N N 21 120.450 120.450 119.238 1.212 19147 4908 1 20 . 1 1 21 21 ASN HA H 21 4.422 4.422 4.474 -0.052 19147 4909 1 20 . 1 1 21 21 ASN C C 21 174.237 174.237 174.585 -0.348 19147 4910 1 20 . 1 1 21 21 ASN CA C 21 55.172 55.172 54.328 0.844 19147 4911 1 20 . 1 1 21 21 ASN CB C 21 38.545 38.545 37.003 1.542 19147 4912 1 20 . 1 1 21 21 ASN H H 21 8.533 8.533 8.200 0.333 19147 4913 1 20 . 1 1 22 22 SER N N 22 119.717 119.717 114.118 5.599 19147 4914 1 20 . 1 1 22 22 SER HA H 22 4.643 4.643 4.699 -0.056 19147 4915 1 20 . 1 1 22 22 SER CA C 22 58.269 58.269 56.897 1.373 19147 4916 1 20 . 1 1 22 22 SER CB C 22 61.998 61.998 64.259 -2.261 19147 4917 1 20 . 1 1 22 22 SER H H 22 8.742 8.742 8.266 0.476 19147 4918 1 20 . 1 1 23 23 PRO HA H 23 4.375 4.375 4.923 -0.548 19147 4919 1 20 . 1 1 23 23 PRO CA C 23 64.211 64.211 62.788 1.423 19147 4920 1 20 . 1 1 23 23 PRO CB C 23 31.883 31.883 31.808 0.075 19147 4921 1 20 . 1 1 24 24 ALA N N 24 126.670 126.670 126.607 0.063 19147 4922 1 20 . 1 1 24 24 ALA HA H 24 4.756 4.756 4.665 0.090 19147 4923 1 20 . 1 1 24 24 ALA C C 24 176.157 176.157 176.071 0.086 19147 4924 1 20 . 1 1 24 24 ALA CA C 24 49.817 49.817 50.231 -0.414 19147 4925 1 20 . 1 1 24 24 ALA CB C 24 19.920 19.920 22.386 -2.466 19147 4926 1 20 . 1 1 24 24 ALA H H 24 8.732 8.732 8.138 0.594 19147 4927 1 20 . 1 1 25 25 LYS N N 25 122.456 122.456 126.595 -4.139 19147 4928 1 20 . 1 1 25 25 LYS HA H 25 4.260 4.260 4.024 0.235 19147 4929 1 20 . 1 1 25 25 LYS C C 25 175.612 175.612 175.168 0.444 19147 4930 1 20 . 1 1 25 25 LYS CA C 25 56.269 56.269 56.106 0.163 19147 4931 1 20 . 1 1 25 25 LYS CB C 25 32.912 32.912 32.118 0.794 19147 4932 1 20 . 1 1 25 25 LYS H H 25 8.045 8.045 8.309 -0.264 19147 4933 1 20 . 1 1 26 26 TYR N N 26 128.452 128.452 129.346 -0.894 19147 4934 1 20 . 1 1 26 26 TYR HA H 26 5.275 5.275 4.858 0.417 19147 4935 1 20 . 1 1 26 26 TYR C C 26 173.550 173.550 175.375 -1.825 19147 4936 1 20 . 1 1 26 26 TYR CA C 26 54.572 54.572 56.915 -2.343 19147 4937 1 20 . 1 1 26 26 TYR CB C 26 40.463 40.463 39.840 0.624 19147 4938 1 20 . 1 1 26 26 TYR H H 26 8.734 8.734 8.036 0.698 19147 4939 1 20 . 1 1 27 27 ASP N N 27 129.563 129.563 128.439 1.124 19147 4940 1 20 . 1 1 27 27 ASP HA H 27 4.525 4.525 4.725 -0.200 19147 4941 1 20 . 1 1 27 27 ASP C C 27 175.920 175.920 175.953 -0.033 19147 4942 1 20 . 1 1 27 27 ASP CA C 27 51.470 51.470 52.736 -1.266 19147 4943 1 20 . 1 1 27 27 ASP CB C 27 42.426 42.426 41.904 0.522 19147 4944 1 20 . 1 1 27 27 ASP H H 27 8.714 8.714 8.794 -0.080 19147 4945 1 20 . 1 1 28 28 CYS N N 28 122.534 122.534 122.178 0.356 19147 4946 1 20 . 1 1 28 28 CYS HA H 28 3.753 3.753 4.058 -0.305 19147 4947 1 20 . 1 1 28 28 CYS C C 28 175.043 175.043 175.458 -0.415 19147 4948 1 20 . 1 1 28 28 CYS CA C 28 58.504 58.504 59.594 -1.090 19147 4949 1 20 . 1 1 28 28 CYS CB C 28 26.501 26.501 27.241 -0.740 19147 4950 1 20 . 1 1 28 28 CYS H H 28 8.226 8.226 8.152 0.074 19147 4951 1 20 . 1 1 29 29 TYR N N 29 123.853 123.853 119.760 4.093 19147 4952 1 20 . 1 1 29 29 TYR HA H 29 4.319 4.319 4.167 0.152 19147 4953 1 20 . 1 1 29 29 TYR C C 29 177.722 177.722 176.310 1.412 19147 4954 1 20 . 1 1 29 29 TYR CA C 29 59.695 59.695 60.903 -1.208 19147 4955 1 20 . 1 1 29 29 TYR CB C 29 37.305 37.305 38.748 -1.443 19147 4956 1 20 . 1 1 29 29 TYR H H 29 8.206 8.206 7.906 0.300 19147 4957 1 20 . 1 1 30 30 LEU N N 30 117.184 117.184 114.820 2.364 19147 4958 1 20 . 1 1 30 30 LEU HA H 30 4.068 4.068 4.645 -0.577 19147 4959 1 20 . 1 1 30 30 LEU C C 30 177.058 177.058 175.507 1.551 19147 4960 1 20 . 1 1 30 30 LEU CA C 30 53.970 53.970 54.037 -0.067 19147 4961 1 20 . 1 1 30 30 LEU CB C 30 42.216 42.216 42.540 -0.324 19147 4962 1 20 . 1 1 30 30 LEU H H 30 7.681 7.681 7.541 0.140 19147 4963 1 20 . 1 1 31 31 GLN N N 31 115.267 115.267 115.126 0.141 19147 4964 1 20 . 1 1 31 31 GLN HA H 31 3.551 3.551 4.088 -0.537 19147 4965 1 20 . 1 1 31 31 GLN C C 31 173.739 173.739 174.706 -0.967 19147 4966 1 20 . 1 1 31 31 GLN CA C 31 57.133 57.133 57.230 -0.097 19147 4967 1 20 . 1 1 31 31 GLN CB C 31 25.119 25.119 26.149 -1.030 19147 4968 1 20 . 1 1 31 31 GLN H H 31 7.740 7.740 7.946 -0.206 19147 4969 1 20 . 1 1 32 32 ARG N N 32 120.485 120.485 115.396 5.089 19147 4970 1 20 . 1 1 32 32 ARG HA H 32 5.053 5.053 5.022 0.031 19147 4971 1 20 . 1 1 32 32 ARG C C 32 173.384 173.384 173.809 -0.425 19147 4972 1 20 . 1 1 32 32 ARG CA C 32 52.928 52.928 53.500 -0.572 19147 4973 1 20 . 1 1 32 32 ARG CB C 32 36.499 36.499 34.259 2.240 19147 4974 1 20 . 1 1 32 32 ARG H H 32 7.213 7.213 7.791 -0.578 19147 4975 1 20 . 1 1 33 33 ALA N N 33 130.237 130.237 122.593 7.644 19147 4976 1 20 . 1 1 33 33 ALA HA H 33 5.295 5.295 5.328 -0.033 19147 4977 1 20 . 1 1 33 33 ALA C C 33 174.522 174.522 174.978 -0.456 19147 4978 1 20 . 1 1 33 33 ALA CA C 33 49.099 49.099 50.379 -1.280 19147 4979 1 20 . 1 1 33 33 ALA CB C 33 20.309 20.309 22.539 -2.230 19147 4980 1 20 . 1 1 33 33 ALA H H 33 8.763 8.763 8.761 0.002 19147 4981 1 20 . 1 1 34 34 THR N N 34 114.351 114.351 117.917 -3.566 19147 4982 1 20 . 1 1 34 34 THR HA H 34 4.904 4.904 5.041 -0.137 19147 4983 1 20 . 1 1 34 34 THR C C 34 173.597 173.597 174.226 -0.629 19147 4984 1 20 . 1 1 34 34 THR CA C 34 60.450 60.450 60.756 -0.306 19147 4985 1 20 . 1 1 34 34 THR CB C 34 70.553 70.553 69.863 0.690 19147 4986 1 20 . 1 1 34 34 THR H H 34 8.269 8.269 8.021 0.248 19147 4987 1 20 . 1 1 35 35 CYS N N 35 133.180 133.180 126.150 7.030 19147 4988 1 20 . 1 1 35 35 CYS HA H 35 3.909 3.909 4.167 -0.258 19147 4989 1 20 . 1 1 35 35 CYS C C 35 175.825 175.825 175.469 0.356 19147 4990 1 20 . 1 1 35 35 CYS CA C 35 61.216 61.216 60.534 0.682 19147 4991 1 20 . 1 1 35 35 CYS CB C 35 31.563 31.563 29.500 2.063 19147 4992 1 20 . 1 1 35 35 CYS H H 35 9.133 9.133 8.338 0.795 19147 4993 1 20 . 1 1 36 36 LYS N N 36 125.753 125.753 126.306 -0.553 19147 4994 1 20 . 1 1 36 36 LYS HA H 36 4.324 4.324 4.412 -0.088 19147 4995 1 20 . 1 1 36 36 LYS C C 36 176.323 176.323 176.590 -0.267 19147 4996 1 20 . 1 1 36 36 LYS CA C 36 55.921 55.921 55.192 0.729 19147 4997 1 20 . 1 1 36 36 LYS CB C 36 32.422 32.422 32.391 0.031 19147 4998 1 20 . 1 1 36 36 LYS H H 36 8.343 8.343 8.152 0.191 19147 4999 1 20 . 1 1 37 37 ARG N N 37 127.726 127.726 121.958 5.768 19147 5000 1 20 . 1 1 37 37 ARG HA H 37 4.133 4.133 4.089 0.044 19147 5001 1 20 . 1 1 37 37 ARG C C 37 177.650 177.650 177.728 -0.078 19147 5002 1 20 . 1 1 37 37 ARG CA C 37 56.595 56.595 57.139 -0.543 19147 5003 1 20 . 1 1 37 37 ARG CB C 37 30.759 30.759 30.925 -0.166 19147 5004 1 20 . 1 1 37 37 ARG H H 37 9.381 9.381 7.534 1.847 19147 5005 1 20 . 1 1 38 38 GLU N N 38 131.710 131.710 124.384 7.326 19147 5006 1 20 . 1 1 38 38 GLU HA H 38 3.933 3.933 4.396 -0.463 19147 5007 1 20 . 1 1 38 38 GLU C C 38 177.342 177.342 177.188 0.154 19147 5008 1 20 . 1 1 38 38 GLU CA C 38 58.288 58.288 57.811 0.477 19147 5009 1 20 . 1 1 38 38 GLU CB C 38 28.628 28.628 29.284 -0.656 19147 5010 1 20 . 1 1 38 38 GLU H H 38 9.079 9.079 8.879 0.200 19147 5011 1 20 . 1 1 39 39 GLY N N 39 112.546 112.546 106.458 6.088 19147 5012 1 20 . 1 1 39 39 GLY C C 39 173.431 173.431 174.182 -0.751 19147 5013 1 20 . 1 1 39 39 GLY CA C 39 44.725 44.725 44.760 -0.035 19147 5014 1 20 . 1 1 39 39 GLY H H 39 8.693 8.693 8.432 0.261 19147 5015 1 20 . 1 1 40 40 CYS N N 40 123.383 123.383 118.289 5.094 19147 5016 1 20 . 1 1 40 40 CYS HA H 40 4.492 4.492 4.714 -0.222 19147 5017 1 20 . 1 1 40 40 CYS C C 40 175.659 175.659 174.849 0.810 19147 5018 1 20 . 1 1 40 40 CYS CA C 40 59.558 59.558 59.521 0.037 19147 5019 1 20 . 1 1 40 40 CYS CB C 40 30.181 30.181 30.599 -0.418 19147 5020 1 20 . 1 1 40 40 CYS H H 40 7.838 7.838 7.492 0.346 19147 5021 1 20 . 1 1 41 41 GLY N N 41 108.697 108.697 110.472 -1.775 19147 5022 1 20 . 1 1 41 41 GLY C C 41 174.261 174.261 173.463 0.798 19147 5023 1 20 . 1 1 41 41 GLY CA C 41 46.283 46.283 46.461 -0.178 19147 5024 1 20 . 1 1 41 41 GLY H H 41 8.109 8.109 8.382 -0.273 19147 5025 1 20 . 1 1 42 42 PHE N N 42 124.198 124.198 116.029 8.169 19147 5026 1 20 . 1 1 42 42 PHE HA H 42 4.579 4.579 4.915 -0.336 19147 5027 1 20 . 1 1 42 42 PHE C C 42 172.886 172.886 173.628 -0.742 19147 5028 1 20 . 1 1 42 42 PHE CA C 42 58.164 58.164 54.490 3.674 19147 5029 1 20 . 1 1 42 42 PHE CB C 42 38.872 38.872 40.865 -1.993 19147 5030 1 20 . 1 1 42 42 PHE H H 42 8.140 8.140 7.825 0.315 19147 5031 1 20 . 1 1 43 43 ASP N N 43 129.158 129.158 122.197 6.961 19147 5032 1 20 . 1 1 43 43 ASP HA H 43 5.377 5.377 5.089 0.288 19147 5033 1 20 . 1 1 43 43 ASP C C 43 175.493 175.493 175.479 0.014 19147 5034 1 20 . 1 1 43 43 ASP CA C 43 51.991 51.991 54.489 -2.498 19147 5035 1 20 . 1 1 43 43 ASP CB C 43 42.089 42.089 43.103 -1.014 19147 5036 1 20 . 1 1 43 43 ASP H H 43 7.830 7.830 8.627 -0.797 19147 5037 1 20 . 1 1 44 44 TYR N N 44 121.015 121.015 118.531 2.484 19147 5038 1 20 . 1 1 44 44 TYR HA H 44 5.072 5.072 5.271 -0.199 19147 5039 1 20 . 1 1 44 44 TYR C C 44 173.882 173.882 173.792 0.090 19147 5040 1 20 . 1 1 44 44 TYR CA C 44 54.551 54.551 56.399 -1.848 19147 5041 1 20 . 1 1 44 44 TYR CB C 44 41.061 41.061 40.222 0.839 19147 5042 1 20 . 1 1 44 44 TYR H H 44 9.264 9.264 8.631 0.633 19147 5043 1 20 . 1 1 45 45 CYS N N 45 121.008 121.008 122.113 -1.105 19147 5044 1 20 . 1 1 45 45 CYS HA H 45 5.157 5.157 4.840 0.317 19147 5045 1 20 . 1 1 45 45 CYS C C 45 178.385 178.385 176.099 2.286 19147 5046 1 20 . 1 1 45 45 CYS CA C 45 56.934 56.934 60.863 -3.929 19147 5047 1 20 . 1 1 45 45 CYS CB C 45 31.953 31.953 29.880 2.073 19147 5048 1 20 . 1 1 45 45 CYS H H 45 8.420 8.420 8.942 -0.522 19147 5049 1 20 . 1 1 46 46 THR N N 46 120.657 120.657 119.388 1.269 19147 5050 1 20 . 1 1 46 46 THR HA H 46 4.090 4.090 4.336 -0.246 19147 5051 1 20 . 1 1 46 46 THR C C 46 174.593 174.593 175.720 -1.127 19147 5052 1 20 . 1 1 46 46 THR CA C 46 64.084 64.084 64.105 -0.021 19147 5053 1 20 . 1 1 46 46 THR CB C 46 66.577 66.577 68.627 -2.050 19147 5054 1 20 . 1 1 46 46 THR H H 46 8.518 8.518 8.814 -0.296 19147 5055 1 20 . 1 1 47 47 LYS N N 47 124.516 124.516 120.071 4.445 19147 5056 1 20 . 1 1 47 47 LYS HA H 47 4.377 4.377 4.322 0.055 19147 5057 1 20 . 1 1 47 47 LYS C C 47 177.319 177.319 177.402 -0.083 19147 5058 1 20 . 1 1 47 47 LYS CA C 47 58.163 58.163 58.599 -0.436 19147 5059 1 20 . 1 1 47 47 LYS CB C 47 32.753 32.753 32.471 0.282 19147 5060 1 20 . 1 1 47 47 LYS H H 47 9.452 9.452 8.425 1.027 19147 5061 1 20 . 1 1 48 48 CYS N N 48 116.543 116.543 116.100 0.443 19147 5062 1 20 . 1 1 48 48 CYS HA H 48 4.817 4.817 4.696 0.121 19147 5063 1 20 . 1 1 48 48 CYS C C 48 175.920 175.920 175.133 0.787 19147 5064 1 20 . 1 1 48 48 CYS CA C 48 57.997 57.997 58.529 -0.532 19147 5065 1 20 . 1 1 48 48 CYS CB C 48 32.109 32.109 29.183 2.926 19147 5066 1 20 . 1 1 48 48 CYS H H 48 8.244 8.244 8.121 0.123 19147 5067 1 20 . 1 1 49 49 LEU N N 49 118.590 118.590 120.812 -2.222 19147 5068 1 20 . 1 1 49 49 LEU HA H 49 4.247 4.247 4.293 -0.046 19147 5069 1 20 . 1 1 49 49 LEU C C 49 176.916 176.916 176.301 0.615 19147 5070 1 20 . 1 1 49 49 LEU CA C 49 56.333 56.333 55.952 0.382 19147 5071 1 20 . 1 1 49 49 LEU CB C 49 36.861 36.861 39.237 -2.376 19147 5072 1 20 . 1 1 49 49 LEU H H 49 8.181 8.181 8.142 0.039 19147 5073 1 20 . 1 1 50 50 CYS N N 50 115.484 115.484 116.645 -1.161 19147 5074 1 20 . 1 1 50 50 CYS HA H 50 4.938 4.938 4.650 0.288 19147 5075 1 20 . 1 1 50 50 CYS C C 50 173.194 173.194 173.786 -0.592 19147 5076 1 20 . 1 1 50 50 CYS CA C 50 57.589 57.589 56.740 0.849 19147 5077 1 20 . 1 1 50 50 CYS CB C 50 30.662 30.662 31.405 -0.743 19147 5078 1 20 . 1 1 50 50 CYS H H 50 8.001 8.001 7.733 0.268 19147 5079 1 20 . 1 1 51 51 ASN N N 51 116.975 116.975 120.027 -3.052 19147 5080 1 20 . 1 1 51 51 ASN HA H 51 4.427 4.427 4.701 -0.274 19147 5081 1 20 . 1 1 51 51 ASN C C 51 174.640 174.640 174.987 -0.347 19147 5082 1 20 . 1 1 51 51 ASN CA C 51 54.190 54.190 54.716 -0.526 19147 5083 1 20 . 1 1 51 51 ASN CB C 51 38.421 38.421 38.769 -0.348 19147 5084 1 20 . 1 1 51 51 ASN H H 51 8.453 8.453 8.688 -0.235 19147 5085 1 20 . 1 1 52 52 TYR N N 52 123.645 123.645 125.703 -2.058 19147 5086 1 20 . 1 1 52 52 TYR HA H 52 3.628 3.628 4.306 -0.678 19147 5087 1 20 . 1 1 52 52 TYR C C 52 173.953 173.953 176.344 -2.391 19147 5088 1 20 . 1 1 52 52 TYR CA C 52 61.742 61.742 59.382 2.360 19147 5089 1 20 . 1 1 52 52 TYR CB C 52 37.030 37.030 39.631 -2.601 19147 5090 1 20 . 1 1 52 52 TYR H H 52 8.903 8.903 7.862 1.041 19147 5091 1 20 . 1 1 53 53 HIS N N 53 123.135 123.135 124.401 -1.266 19147 5092 1 20 . 1 1 53 53 HIS HA H 53 4.673 4.673 4.503 0.170 19147 5093 1 20 . 1 1 53 53 HIS C C 53 173.360 173.360 174.642 -1.282 19147 5094 1 20 . 1 1 53 53 HIS CA C 53 51.116 51.116 56.953 -5.837 19147 5095 1 20 . 1 1 53 53 HIS CB C 53 29.297 29.297 27.516 1.781 19147 5096 1 20 . 1 1 53 53 HIS H H 53 5.918 5.918 8.048 -2.130 19147 5097 1 20 . 1 1 54 54 THR N N 54 110.786 110.786 116.267 -5.481 19147 5098 1 20 . 1 1 54 54 THR HA H 54 3.786 3.786 4.551 -0.765 19147 5099 1 20 . 1 1 54 54 THR C C 54 175.778 175.778 176.471 -0.693 19147 5100 1 20 . 1 1 54 54 THR CA C 54 62.088 62.088 63.042 -0.954 19147 5101 1 20 . 1 1 54 54 THR CB C 54 68.634 68.634 69.329 -0.694 19147 5102 1 20 . 1 1 54 54 THR H H 54 7.632 7.632 8.260 -0.628 19147 5103 1 20 . 1 1 55 55 THR N N 55 113.157 113.157 115.401 -2.244 19147 5104 1 20 . 1 1 55 55 THR HA H 55 4.656 4.656 4.141 0.515 19147 5105 1 20 . 1 1 55 55 THR C C 55 175.209 175.209 175.849 -0.640 19147 5106 1 20 . 1 1 55 55 THR CA C 55 60.909 60.909 64.777 -3.868 19147 5107 1 20 . 1 1 55 55 THR CB C 55 68.720 68.720 68.935 -0.215 19147 5108 1 20 . 1 1 55 55 THR H H 55 7.746 7.746 8.605 -0.859 19147 5109 1 20 . 1 1 56 56 LYS N N 56 122.548 122.548 118.609 3.939 19147 5110 1 20 . 1 1 56 56 LYS HA H 56 4.247 4.247 4.578 -0.331 19147 5111 1 20 . 1 1 56 56 LYS C C 56 176.726 176.726 175.691 1.035 19147 5112 1 20 . 1 1 56 56 LYS CA C 56 56.714 56.714 56.222 0.492 19147 5113 1 20 . 1 1 56 56 LYS CB C 56 32.279 32.279 34.251 -1.972 19147 5114 1 20 . 1 1 56 56 LYS H H 56 8.344 8.344 8.439 -0.095 19147 5115 1 20 . 1 1 57 57 ASP N N 57 119.260 119.260 117.708 1.552 19147 5116 1 20 . 1 1 57 57 ASP HA H 57 4.684 4.684 4.927 -0.243 19147 5117 1 20 . 1 1 57 57 ASP C C 57 176.323 176.323 175.129 1.194 19147 5118 1 20 . 1 1 57 57 ASP CA C 57 53.331 53.331 53.367 -0.036 19147 5119 1 20 . 1 1 57 57 ASP CB C 57 41.168 41.168 42.836 -1.668 19147 5120 1 20 . 1 1 57 57 ASP H H 57 8.201 8.201 8.231 -0.030 19147 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 43 3.899 -1.606 3.595 19147 2 1 1 "Average Difference" HA 46 0.318 0.054 0.316 19147 3 1 1 "Average Difference" C 42 1.210 -0.195 1.209 19147 4 1 1 "Average Difference" CA 44 1.682 0.206 1.689 19147 5 1 1 "Average Difference" CB 42 1.631 0.061 1.650 19147 6 1 1 "Average Difference" HN 43 0.679 -0.132 0.674 19147 7 1 2 "Average Difference" N 43 3.907 -1.630 3.592 19147 8 1 2 "Average Difference" HA 46 0.310 0.058 0.308 19147 9 1 2 "Average Difference" C 42 1.301 -0.303 1.281 19147 10 1 2 "Average Difference" CA 44 1.730 0.265 1.729 19147 11 1 2 "Average Difference" CB 42 1.624 -0.109 1.640 19147 12 1 2 "Average Difference" HN 43 0.718 -0.135 0.713 19147 13 1 3 "Average Difference" N 43 3.927 -1.755 3.555 19147 14 1 3 "Average Difference" HA 46 0.317 0.035 0.318 19147 15 1 3 "Average Difference" C 42 1.246 -0.174 1.249 19147 16 1 3 "Average Difference" CA 44 1.683 0.336 1.668 19147 17 1 3 "Average Difference" CB 42 1.601 -0.022 1.620 19147 18 1 3 "Average Difference" HN 43 0.704 -0.102 0.705 19147 19 1 4 "Average Difference" N 43 3.795 -1.364 3.583 19147 20 1 4 "Average Difference" HA 46 0.300 0.037 0.301 19147 21 1 4 "Average Difference" C 42 1.258 -0.119 1.268 19147 22 1 4 "Average Difference" CA 44 1.687 0.305 1.678 19147 23 1 4 "Average Difference" CB 42 1.723 -0.130 1.739 19147 24 1 4 "Average Difference" HN 43 0.697 -0.124 0.694 19147 25 1 5 "Average Difference" N 43 3.711 -2.082 3.108 19147 26 1 5 "Average Difference" HA 46 0.295 0.033 0.296 19147 27 1 5 "Average Difference" C 42 1.369 -0.090 1.382 19147 28 1 5 "Average Difference" CA 44 1.796 0.423 1.766 19147 29 1 5 "Average Difference" CB 42 1.629 -0.038 1.648 19147 30 1 5 "Average Difference" HN 43 0.695 -0.144 0.688 19147 31 1 6 "Average Difference" N 43 3.857 -1.969 3.355 19147 32 1 6 "Average Difference" HA 46 0.285 0.063 0.281 19147 33 1 6 "Average Difference" C 42 1.321 -0.046 1.336 19147 34 1 6 "Average Difference" CA 44 1.541 0.329 1.522 19147 35 1 6 "Average Difference" CB 42 1.528 0.062 1.546 19147 36 1 6 "Average Difference" HN 43 0.701 -0.160 0.690 19147 37 1 7 "Average Difference" N 43 3.752 -1.502 3.479 19147 38 1 7 "Average Difference" HA 46 0.304 0.038 0.305 19147 39 1 7 "Average Difference" C 42 1.339 -0.031 1.355 19147 40 1 7 "Average Difference" CA 44 2.045 0.465 2.014 19147 41 1 7 "Average Difference" CB 42 1.683 -0.013 1.703 19147 42 1 7 "Average Difference" HN 43 0.710 -0.079 0.714 19147 43 1 8 "Average Difference" N 43 3.871 -1.674 3.532 19147 44 1 8 "Average Difference" HA 46 0.289 0.061 0.286 19147 45 1 8 "Average Difference" C 42 1.417 -0.134 1.428 19147 46 1 8 "Average Difference" CA 44 1.758 0.325 1.748 19147 47 1 8 "Average Difference" CB 42 1.604 -0.136 1.618 19147 48 1 8 "Average Difference" HN 43 0.756 -0.146 0.750 19147 49 1 9 "Average Difference" N 43 3.697 -1.335 3.488 19147 50 1 9 "Average Difference" HA 46 0.307 0.018 0.309 19147 51 1 9 "Average Difference" C 42 1.235 -0.015 1.250 19147 52 1 9 "Average Difference" CA 44 1.694 0.367 1.673 19147 53 1 9 "Average Difference" CB 42 1.598 -0.052 1.616 19147 54 1 9 "Average Difference" HN 43 0.733 -0.140 0.728 19147 55 1 10 "Average Difference" N 43 3.620 -1.408 3.375 19147 56 1 10 "Average Difference" HA 46 0.284 0.047 0.283 19147 57 1 10 "Average Difference" C 42 1.240 0.019 1.255 19147 58 1 10 "Average Difference" CA 44 1.601 0.338 1.583 19147 59 1 10 "Average Difference" CB 42 1.613 -0.088 1.630 19147 60 1 10 "Average Difference" HN 43 0.708 -0.144 0.702 19147 61 1 11 "Average Difference" N 43 4.003 -1.235 3.853 19147 62 1 11 "Average Difference" HA 46 0.280 0.045 0.280 19147 63 1 11 "Average Difference" C 42 1.213 -0.033 1.227 19147 64 1 11 "Average Difference" CA 44 1.659 0.366 1.637 19147 65 1 11 "Average Difference" CB 42 1.537 -0.078 1.554 19147 66 1 11 "Average Difference" HN 43 0.719 -0.093 0.721 19147 67 1 12 "Average Difference" N 43 3.747 -1.791 3.330 19147 68 1 12 "Average Difference" HA 46 0.290 0.076 0.282 19147 69 1 12 "Average Difference" C 42 1.316 -0.141 1.324 19147 70 1 12 "Average Difference" CA 44 1.556 0.288 1.547 19147 71 1 12 "Average Difference" CB 42 1.535 -0.015 1.554 19147 72 1 12 "Average Difference" HN 43 0.718 -0.152 0.710 19147 73 1 13 "Average Difference" N 43 3.802 -1.638 3.471 19147 74 1 13 "Average Difference" HA 46 0.303 0.007 0.306 19147 75 1 13 "Average Difference" C 42 1.363 -0.031 1.380 19147 76 1 13 "Average Difference" CA 44 1.741 0.420 1.709 19147 77 1 13 "Average Difference" CB 42 1.535 -0.152 1.546 19147 78 1 13 "Average Difference" HN 43 0.738 -0.150 0.731 19147 79 1 14 "Average Difference" N 43 3.665 -1.759 3.253 19147 80 1 14 "Average Difference" HA 46 0.286 0.016 0.289 19147 81 1 14 "Average Difference" C 42 1.351 -0.102 1.363 19147 82 1 14 "Average Difference" CA 44 1.718 0.341 1.704 19147 83 1 14 "Average Difference" CB 42 1.619 -0.191 1.628 19147 84 1 14 "Average Difference" HN 43 0.703 -0.162 0.692 19147 85 1 15 "Average Difference" N 43 3.878 -1.528 3.607 19147 86 1 15 "Average Difference" HA 46 0.322 0.066 0.318 19147 87 1 15 "Average Difference" C 42 1.268 -0.260 1.256 19147 88 1 15 "Average Difference" CA 44 1.617 0.210 1.622 19147 89 1 15 "Average Difference" CB 42 1.632 -0.031 1.651 19147 90 1 15 "Average Difference" HN 43 0.694 -0.138 0.688 19147 91 1 16 "Average Difference" N 43 3.725 -1.781 3.310 19147 92 1 16 "Average Difference" HA 46 0.295 0.036 0.296 19147 93 1 16 "Average Difference" C 42 1.407 0.037 1.424 19147 94 1 16 "Average Difference" CA 44 1.834 0.499 1.785 19147 95 1 16 "Average Difference" CB 42 1.574 -0.100 1.590 19147 96 1 16 "Average Difference" HN 43 0.746 -0.129 0.743 19147 97 1 17 "Average Difference" N 43 3.873 -1.483 3.620 19147 98 1 17 "Average Difference" HA 46 0.319 0.047 0.319 19147 99 1 17 "Average Difference" C 42 1.253 -0.063 1.267 19147 100 1 17 "Average Difference" CA 44 1.687 0.456 1.643 19147 101 1 17 "Average Difference" CB 42 1.762 -0.132 1.778 19147 102 1 17 "Average Difference" HN 43 0.726 -0.061 0.732 19147 103 1 18 "Average Difference" N 43 3.998 -1.919 3.550 19147 104 1 18 "Average Difference" HA 46 0.290 0.062 0.286 19147 105 1 18 "Average Difference" C 42 1.434 -0.069 1.449 19147 106 1 18 "Average Difference" CA 44 1.716 0.250 1.718 19147 107 1 18 "Average Difference" CB 42 1.542 -0.133 1.554 19147 108 1 18 "Average Difference" HN 43 0.745 -0.155 0.737 19147 109 1 19 "Average Difference" N 43 3.664 -1.702 3.283 19147 110 1 19 "Average Difference" HA 46 0.289 0.041 0.289 19147 111 1 19 "Average Difference" C 42 1.412 -0.108 1.425 19147 112 1 19 "Average Difference" CA 44 1.738 0.255 1.739 19147 113 1 19 "Average Difference" CB 42 1.669 -0.161 1.682 19147 114 1 19 "Average Difference" HN 43 0.757 -0.162 0.748 19147 115 1 20 "Average Difference" N 43 3.903 -1.821 3.493 19147 116 1 20 "Average Difference" HA 46 0.304 0.096 0.291 19147 117 1 20 "Average Difference" C 42 1.216 -0.115 1.226 19147 118 1 20 "Average Difference" CA 44 1.651 0.409 1.618 19147 119 1 20 "Average Difference" CB 42 1.474 0.095 1.489 19147 120 1 20 "Average Difference" HN 43 0.683 -0.117 0.681 19147 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 19147 _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 14 14 LEU N N 14 123.914 123.914 123.304 0.610 19147 2 1 . 1 1 14 14 LEU HA H 14 4.914 4.914 4.625 0.289 19147 3 1 . 1 1 14 14 LEU C C 14 176.963 176.963 177.022 -0.059 19147 4 1 . 1 1 14 14 LEU CA C 14 54.055 54.055 54.628 -0.573 19147 5 1 . 1 1 14 14 LEU CB C 14 44.013 44.013 42.631 1.382 19147 6 1 . 1 1 14 14 LEU H H 14 8.089 8.089 7.897 0.192 19147 7 1 . 1 1 15 15 LYS N N 15 121.013 121.013 121.479 -0.466 19147 8 1 . 1 1 15 15 LYS HA H 15 4.323 4.323 4.463 -0.140 19147 9 1 . 1 1 15 15 LYS C C 15 174.711 174.711 175.575 -0.864 19147 10 1 . 1 1 15 15 LYS CA C 15 53.956 53.956 54.412 -0.456 19147 11 1 . 1 1 15 15 LYS CB C 15 35.171 35.171 33.831 1.340 19147 12 1 . 1 1 15 15 LYS H H 15 8.548 8.548 8.452 0.096 19147 13 1 . 1 1 16 16 ALA N N 16 124.835 124.835 124.281 0.554 19147 14 1 . 1 1 16 16 ALA HA H 16 4.424 4.424 4.704 -0.280 19147 15 1 . 1 1 16 16 ALA C C 16 176.513 176.513 177.272 -0.759 19147 16 1 . 1 1 16 16 ALA CA C 16 50.701 50.701 50.838 -0.137 19147 17 1 . 1 1 16 16 ALA CB C 16 19.404 19.404 19.089 0.315 19147 18 1 . 1 1 16 16 ALA H H 16 8.119 8.119 8.375 -0.256 19147 19 1 . 1 1 17 17 CYS N N 17 125.963 125.963 122.962 3.001 19147 20 1 . 1 1 17 17 CYS HA H 17 4.530 4.530 4.276 0.254 19147 21 1 . 1 1 17 17 CYS C C 17 179.428 179.428 177.117 2.311 19147 22 1 . 1 1 17 17 CYS CA C 17 59.687 59.687 59.573 0.114 19147 23 1 . 1 1 17 17 CYS CB C 17 31.087 31.087 29.612 1.476 19147 24 1 . 1 1 17 17 CYS H H 17 9.517 9.517 8.196 1.321 19147 25 1 . 1 1 18 18 ILE N N 18 124.917 124.917 121.492 3.425 19147 26 1 . 1 1 18 18 ILE HA H 18 4.039 4.039 4.162 -0.123 19147 27 1 . 1 1 18 18 ILE C C 18 175.825 175.825 175.912 -0.087 19147 28 1 . 1 1 18 18 ILE CA C 18 62.353 62.353 62.826 -0.472 19147 29 1 . 1 1 18 18 ILE CB C 18 37.671 37.671 37.566 0.105 19147 30 1 . 1 1 18 18 ILE H H 18 7.244 7.244 8.516 -1.272 19147 31 1 . 1 1 19 19 ARG N N 19 124.247 124.247 122.466 1.781 19147 32 1 . 1 1 19 19 ARG HA H 19 4.235 4.235 4.235 -0.000 19147 33 1 . 1 1 19 19 ARG C C 19 177.413 177.413 176.587 0.826 19147 34 1 . 1 1 19 19 ARG CA C 19 57.820 57.820 58.340 -0.520 19147 35 1 . 1 1 19 19 ARG CB C 19 31.496 31.496 30.705 0.791 19147 36 1 . 1 1 19 19 ARG H H 19 9.392 9.392 8.273 1.119 19147 37 1 . 1 1 20 20 CYS N N 20 118.959 118.959 114.598 4.361 19147 38 1 . 1 1 20 20 CYS HA H 20 4.933 4.933 4.848 0.085 19147 39 1 . 1 1 20 20 CYS C C 20 178.409 178.409 173.612 4.797 19147 40 1 . 1 1 20 20 CYS CA C 20 58.663 58.663 57.099 1.563 19147 41 1 . 1 1 20 20 CYS CB C 20 32.067 32.067 29.296 2.771 19147 42 1 . 1 1 20 20 CYS H H 20 8.541 8.541 7.896 0.645 19147 43 1 . 1 1 21 21 ASN N N 21 120.450 120.450 119.392 1.058 19147 44 1 . 1 1 21 21 ASN HA H 21 4.422 4.422 4.475 -0.053 19147 45 1 . 1 1 21 21 ASN C C 21 174.237 174.237 174.248 -0.011 19147 46 1 . 1 1 21 21 ASN CA C 21 55.172 55.172 54.220 0.952 19147 47 1 . 1 1 21 21 ASN CB C 21 38.545 38.545 37.187 1.358 19147 48 1 . 1 1 21 21 ASN H H 21 8.533 8.533 8.091 0.442 19147 49 1 . 1 1 22 22 SER N N 22 119.717 119.717 114.671 5.045 19147 50 1 . 1 1 22 22 SER HA H 22 4.643 4.643 4.742 -0.099 19147 51 1 . 1 1 22 22 SER CA C 22 58.269 58.269 56.393 1.876 19147 52 1 . 1 1 22 22 SER CB C 22 61.998 61.998 64.908 -2.910 19147 53 1 . 1 1 22 22 SER H H 22 8.742 8.742 8.137 0.605 19147 54 1 . 1 1 23 23 PRO HA H 23 4.375 4.375 4.688 -0.313 19147 55 1 . 1 1 23 23 PRO CA C 23 64.211 64.211 62.885 1.326 19147 56 1 . 1 1 23 23 PRO CB C 23 31.883 31.883 30.851 1.032 19147 57 1 . 1 1 24 24 ALA N N 24 126.670 126.670 128.280 -1.610 19147 58 1 . 1 1 24 24 ALA HA H 24 4.756 4.756 4.728 0.028 19147 59 1 . 1 1 24 24 ALA C C 24 176.157 176.157 176.505 -0.348 19147 60 1 . 1 1 24 24 ALA CA C 24 49.817 49.817 50.089 -0.272 19147 61 1 . 1 1 24 24 ALA CB C 24 19.920 19.920 21.647 -1.726 19147 62 1 . 1 1 24 24 ALA H H 24 8.732 8.732 8.434 0.298 19147 63 1 . 1 1 25 25 LYS N N 25 122.456 122.456 126.745 -4.289 19147 64 1 . 1 1 25 25 LYS HA H 25 4.260 4.260 4.108 0.152 19147 65 1 . 1 1 25 25 LYS C C 25 175.612 175.612 175.306 0.306 19147 66 1 . 1 1 25 25 LYS CA C 25 56.269 56.269 55.861 0.408 19147 67 1 . 1 1 25 25 LYS CB C 25 32.912 32.912 32.196 0.716 19147 68 1 . 1 1 25 25 LYS H H 25 8.045 8.045 8.334 -0.289 19147 69 1 . 1 1 26 26 TYR N N 26 128.452 128.452 129.548 -1.096 19147 70 1 . 1 1 26 26 TYR HA H 26 5.275 5.275 4.744 0.531 19147 71 1 . 1 1 26 26 TYR C C 26 173.550 173.550 175.327 -1.777 19147 72 1 . 1 1 26 26 TYR CA C 26 54.572 54.572 56.962 -2.390 19147 73 1 . 1 1 26 26 TYR CB C 26 40.463 40.463 39.397 1.066 19147 74 1 . 1 1 26 26 TYR H H 26 8.734 8.734 8.222 0.512 19147 75 1 . 1 1 27 27 ASP N N 27 129.563 129.563 128.760 0.803 19147 76 1 . 1 1 27 27 ASP HA H 27 4.525 4.525 4.720 -0.195 19147 77 1 . 1 1 27 27 ASP C C 27 175.920 175.920 176.028 -0.108 19147 78 1 . 1 1 27 27 ASP CA C 27 51.470 51.470 52.548 -1.078 19147 79 1 . 1 1 27 27 ASP CB C 27 42.426 42.426 41.712 0.714 19147 80 1 . 1 1 27 27 ASP H H 27 8.714 8.714 8.895 -0.181 19147 81 1 . 1 1 28 28 CYS N N 28 122.534 122.534 122.742 -0.208 19147 82 1 . 1 1 28 28 CYS HA H 28 3.753 3.753 4.044 -0.291 19147 83 1 . 1 1 28 28 CYS C C 28 175.043 175.043 175.356 -0.313 19147 84 1 . 1 1 28 28 CYS CA C 28 58.504 58.504 59.862 -1.358 19147 85 1 . 1 1 28 28 CYS CB C 28 26.501 26.501 27.119 -0.618 19147 86 1 . 1 1 28 28 CYS H H 28 8.226 8.226 8.215 0.011 19147 87 1 . 1 1 29 29 TYR N N 29 123.853 123.853 119.823 4.030 19147 88 1 . 1 1 29 29 TYR HA H 29 4.319 4.319 4.189 0.130 19147 89 1 . 1 1 29 29 TYR C C 29 177.722 177.722 176.312 1.410 19147 90 1 . 1 1 29 29 TYR CA C 29 59.695 59.695 60.776 -1.081 19147 91 1 . 1 1 29 29 TYR CB C 29 37.305 37.305 38.707 -1.402 19147 92 1 . 1 1 29 29 TYR H H 29 8.206 8.206 7.845 0.361 19147 93 1 . 1 1 30 30 LEU N N 30 117.184 117.184 114.984 2.200 19147 94 1 . 1 1 30 30 LEU HA H 30 4.068 4.068 4.639 -0.571 19147 95 1 . 1 1 30 30 LEU C C 30 177.058 177.058 175.625 1.433 19147 96 1 . 1 1 30 30 LEU CA C 30 53.970 53.970 54.115 -0.145 19147 97 1 . 1 1 30 30 LEU CB C 30 42.216 42.216 42.695 -0.479 19147 98 1 . 1 1 30 30 LEU H H 30 7.681 7.681 7.573 0.107 19147 99 1 . 1 1 31 31 GLN N N 31 115.267 115.267 115.657 -0.390 19147 100 1 . 1 1 31 31 GLN HA H 31 3.551 3.551 4.129 -0.578 19147 101 1 . 1 1 31 31 GLN C C 31 173.739 173.739 174.771 -1.032 19147 102 1 . 1 1 31 31 GLN CA C 31 57.133 57.133 57.310 -0.177 19147 103 1 . 1 1 31 31 GLN CB C 31 25.119 25.119 26.139 -1.020 19147 104 1 . 1 1 31 31 GLN H H 31 7.740 7.740 7.957 -0.217 19147 105 1 . 1 1 32 32 ARG N N 32 120.485 120.485 115.070 5.415 19147 106 1 . 1 1 32 32 ARG HA H 32 5.053 5.053 5.117 -0.064 19147 107 1 . 1 1 32 32 ARG C C 32 173.384 173.384 173.779 -0.395 19147 108 1 . 1 1 32 32 ARG CA C 32 52.928 52.928 53.736 -0.808 19147 109 1 . 1 1 32 32 ARG CB C 32 36.499 36.499 34.244 2.255 19147 110 1 . 1 1 32 32 ARG H H 32 7.213 7.213 7.820 -0.607 19147 111 1 . 1 1 33 33 ALA N N 33 130.237 130.237 122.897 7.340 19147 112 1 . 1 1 33 33 ALA HA H 33 5.295 5.295 5.304 -0.009 19147 113 1 . 1 1 33 33 ALA C C 33 174.522 174.522 175.213 -0.691 19147 114 1 . 1 1 33 33 ALA CA C 33 49.099 49.099 50.024 -0.925 19147 115 1 . 1 1 33 33 ALA CB C 33 20.309 20.309 22.276 -1.967 19147 116 1 . 1 1 33 33 ALA H H 33 8.763 8.763 8.737 0.026 19147 117 1 . 1 1 34 34 THR N N 34 114.351 114.351 117.173 -2.822 19147 118 1 . 1 1 34 34 THR HA H 34 4.904 4.904 4.841 0.063 19147 119 1 . 1 1 34 34 THR C C 34 173.597 173.597 174.451 -0.854 19147 120 1 . 1 1 34 34 THR CA C 34 60.450 60.450 60.318 0.132 19147 121 1 . 1 1 34 34 THR CB C 34 70.553 70.553 69.781 0.772 19147 122 1 . 1 1 34 34 THR H H 34 8.269 8.269 8.054 0.214 19147 123 1 . 1 1 35 35 CYS N N 35 133.180 133.180 127.249 5.931 19147 124 1 . 1 1 35 35 CYS HA H 35 3.909 3.909 4.165 -0.256 19147 125 1 . 1 1 35 35 CYS C C 35 175.825 175.825 175.160 0.665 19147 126 1 . 1 1 35 35 CYS CA C 35 61.216 61.216 60.653 0.563 19147 127 1 . 1 1 35 35 CYS CB C 35 31.563 31.563 28.731 2.832 19147 128 1 . 1 1 35 35 CYS H H 35 9.133 9.133 8.456 0.677 19147 129 1 . 1 1 36 36 LYS N N 36 125.753 125.753 128.231 -2.478 19147 130 1 . 1 1 36 36 LYS HA H 36 4.324 4.324 4.232 0.092 19147 131 1 . 1 1 36 36 LYS C C 36 176.323 176.323 176.316 0.007 19147 132 1 . 1 1 36 36 LYS CA C 36 55.921 55.921 56.049 -0.128 19147 133 1 . 1 1 36 36 LYS CB C 36 32.422 32.422 32.047 0.375 19147 134 1 . 1 1 36 36 LYS H H 36 8.343 8.343 8.151 0.192 19147 135 1 . 1 1 37 37 ARG N N 37 127.726 127.726 121.445 6.282 19147 136 1 . 1 1 37 37 ARG HA H 37 4.133 4.133 4.306 -0.173 19147 137 1 . 1 1 37 37 ARG C C 37 177.650 177.650 177.525 0.125 19147 138 1 . 1 1 37 37 ARG CA C 37 56.595 56.595 56.128 0.467 19147 139 1 . 1 1 37 37 ARG CB C 37 30.759 30.759 31.047 -0.288 19147 140 1 . 1 1 37 37 ARG H H 37 9.381 9.381 7.559 1.822 19147 141 1 . 1 1 38 38 GLU N N 38 131.710 131.710 125.740 5.970 19147 142 1 . 1 1 38 38 GLU HA H 38 3.933 3.933 4.140 -0.207 19147 143 1 . 1 1 38 38 GLU C C 38 177.342 177.342 177.331 0.011 19147 144 1 . 1 1 38 38 GLU CA C 38 58.288 58.288 58.612 -0.324 19147 145 1 . 1 1 38 38 GLU CB C 38 28.628 28.628 29.177 -0.549 19147 146 1 . 1 1 38 38 GLU H H 38 9.079 9.079 8.854 0.225 19147 147 1 . 1 1 39 39 GLY N N 39 112.546 112.546 106.613 5.933 19147 148 1 . 1 1 39 39 GLY C C 39 173.431 173.431 174.638 -1.207 19147 149 1 . 1 1 39 39 GLY CA C 39 44.725 44.725 45.845 -1.120 19147 150 1 . 1 1 39 39 GLY H H 39 8.693 8.693 8.438 0.255 19147 151 1 . 1 1 40 40 CYS N N 40 123.383 123.383 118.596 4.787 19147 152 1 . 1 1 40 40 CYS HA H 40 4.492 4.492 4.646 -0.154 19147 153 1 . 1 1 40 40 CYS C C 40 175.659 175.659 175.322 0.337 19147 154 1 . 1 1 40 40 CYS CA C 40 59.558 59.558 59.707 -0.149 19147 155 1 . 1 1 40 40 CYS CB C 40 30.181 30.181 30.230 -0.049 19147 156 1 . 1 1 40 40 CYS H H 40 7.838 7.838 7.748 0.090 19147 157 1 . 1 1 41 41 GLY N N 41 108.697 108.697 109.812 -1.115 19147 158 1 . 1 1 41 41 GLY C C 41 174.261 174.261 173.488 0.773 19147 159 1 . 1 1 41 41 GLY CA C 41 46.283 46.283 46.302 -0.019 19147 160 1 . 1 1 41 41 GLY H H 41 8.109 8.109 8.237 -0.128 19147 161 1 . 1 1 42 42 PHE N N 42 124.198 124.198 116.935 7.263 19147 162 1 . 1 1 42 42 PHE HA H 42 4.579 4.579 4.920 -0.341 19147 163 1 . 1 1 42 42 PHE C C 42 172.886 172.886 173.791 -0.905 19147 164 1 . 1 1 42 42 PHE CA C 42 58.164 58.164 54.221 3.943 19147 165 1 . 1 1 42 42 PHE CB C 42 38.872 38.872 41.264 -2.392 19147 166 1 . 1 1 42 42 PHE H H 42 8.140 8.140 7.671 0.469 19147 167 1 . 1 1 43 43 ASP N N 43 129.158 129.158 121.325 7.833 19147 168 1 . 1 1 43 43 ASP HA H 43 5.377 5.377 4.759 0.618 19147 169 1 . 1 1 43 43 ASP C C 43 175.493 175.493 175.184 0.309 19147 170 1 . 1 1 43 43 ASP CA C 43 51.991 51.991 53.438 -1.447 19147 171 1 . 1 1 43 43 ASP CB C 43 42.089 42.089 42.317 -0.228 19147 172 1 . 1 1 43 43 ASP H H 43 7.830 7.830 8.539 -0.709 19147 173 1 . 1 1 44 44 TYR N N 44 121.015 121.015 116.843 4.172 19147 174 1 . 1 1 44 44 TYR HA H 44 5.072 5.072 5.093 -0.021 19147 175 1 . 1 1 44 44 TYR C C 44 173.882 173.882 173.691 0.191 19147 176 1 . 1 1 44 44 TYR CA C 44 54.551 54.551 56.553 -2.002 19147 177 1 . 1 1 44 44 TYR CB C 44 41.061 41.061 39.709 1.352 19147 178 1 . 1 1 44 44 TYR H H 44 9.264 9.264 7.832 1.432 19147 179 1 . 1 1 45 45 CYS N N 45 121.008 121.008 121.515 -0.507 19147 180 1 . 1 1 45 45 CYS HA H 45 5.157 5.157 4.829 0.328 19147 181 1 . 1 1 45 45 CYS C C 45 178.385 178.385 175.942 2.443 19147 182 1 . 1 1 45 45 CYS CA C 45 56.934 56.934 60.193 -3.259 19147 183 1 . 1 1 45 45 CYS CB C 45 31.953 31.953 29.664 2.289 19147 184 1 . 1 1 45 45 CYS H H 45 8.420 8.420 8.968 -0.548 19147 185 1 . 1 1 46 46 THR N N 46 120.657 120.657 120.832 -0.175 19147 186 1 . 1 1 46 46 THR HA H 46 4.090 4.090 4.242 -0.152 19147 187 1 . 1 1 46 46 THR C C 46 174.593 174.593 175.257 -0.664 19147 188 1 . 1 1 46 46 THR CA C 46 64.084 64.084 63.996 0.088 19147 189 1 . 1 1 46 46 THR CB C 46 66.577 66.577 68.669 -2.093 19147 190 1 . 1 1 46 46 THR H H 46 8.518 8.518 8.716 -0.198 19147 191 1 . 1 1 47 47 LYS N N 47 124.516 124.516 120.436 4.080 19147 192 1 . 1 1 47 47 LYS HA H 47 4.377 4.377 4.239 0.138 19147 193 1 . 1 1 47 47 LYS C C 47 177.319 177.319 177.528 -0.209 19147 194 1 . 1 1 47 47 LYS CA C 47 58.163 58.163 58.796 -0.633 19147 195 1 . 1 1 47 47 LYS CB C 47 32.753 32.753 32.322 0.430 19147 196 1 . 1 1 47 47 LYS H H 47 9.452 9.452 8.327 1.125 19147 197 1 . 1 1 48 48 CYS N N 48 116.543 116.543 115.581 0.962 19147 198 1 . 1 1 48 48 CYS HA H 48 4.817 4.817 4.677 0.140 19147 199 1 . 1 1 48 48 CYS C C 48 175.920 175.920 175.181 0.739 19147 200 1 . 1 1 48 48 CYS CA C 48 57.997 57.997 57.945 0.052 19147 201 1 . 1 1 48 48 CYS CB C 48 32.109 32.109 28.565 3.544 19147 202 1 . 1 1 48 48 CYS H H 48 8.244 8.244 8.079 0.165 19147 203 1 . 1 1 49 49 LEU N N 49 118.590 118.590 120.256 -1.666 19147 204 1 . 1 1 49 49 LEU HA H 49 4.247 4.247 4.335 -0.088 19147 205 1 . 1 1 49 49 LEU C C 49 176.916 176.916 176.092 0.824 19147 206 1 . 1 1 49 49 LEU CA C 49 56.333 56.333 55.951 0.382 19147 207 1 . 1 1 49 49 LEU CB C 49 36.861 36.861 39.392 -2.531 19147 208 1 . 1 1 49 49 LEU H H 49 8.181 8.181 8.079 0.101 19147 209 1 . 1 1 50 50 CYS N N 50 115.484 115.484 116.521 -1.037 19147 210 1 . 1 1 50 50 CYS HA H 50 4.938 4.938 4.703 0.235 19147 211 1 . 1 1 50 50 CYS C C 50 173.194 173.194 173.994 -0.800 19147 212 1 . 1 1 50 50 CYS CA C 50 57.589 57.589 56.304 1.285 19147 213 1 . 1 1 50 50 CYS CB C 50 30.662 30.662 31.328 -0.666 19147 214 1 . 1 1 50 50 CYS H H 50 8.001 8.001 7.803 0.198 19147 215 1 . 1 1 51 51 ASN N N 51 116.975 116.975 119.518 -2.543 19147 216 1 . 1 1 51 51 ASN HA H 51 4.427 4.427 4.672 -0.245 19147 217 1 . 1 1 51 51 ASN C C 51 174.640 174.640 175.005 -0.365 19147 218 1 . 1 1 51 51 ASN CA C 51 54.190 54.190 54.570 -0.380 19147 219 1 . 1 1 51 51 ASN CB C 51 38.421 38.421 38.711 -0.290 19147 220 1 . 1 1 51 51 ASN H H 51 8.453 8.453 8.685 -0.232 19147 221 1 . 1 1 52 52 TYR N N 52 123.645 123.645 125.109 -1.464 19147 222 1 . 1 1 52 52 TYR HA H 52 3.628 3.628 4.327 -0.700 19147 223 1 . 1 1 52 52 TYR C C 52 173.953 173.953 176.345 -2.392 19147 224 1 . 1 1 52 52 TYR CA C 52 61.742 61.742 59.381 2.361 19147 225 1 . 1 1 52 52 TYR CB C 52 37.030 37.030 39.556 -2.526 19147 226 1 . 1 1 52 52 TYR H H 52 8.903 8.903 8.279 0.624 19147 227 1 . 1 1 53 53 HIS N N 53 123.135 123.135 122.180 0.955 19147 228 1 . 1 1 53 53 HIS HA H 53 4.673 4.673 4.427 0.246 19147 229 1 . 1 1 53 53 HIS C C 53 173.360 173.360 175.530 -2.170 19147 230 1 . 1 1 53 53 HIS CA C 53 51.116 51.116 57.673 -6.557 19147 231 1 . 1 1 53 53 HIS CB C 53 29.297 29.297 28.822 0.475 19147 232 1 . 1 1 53 53 HIS H H 53 5.918 5.918 8.060 -2.142 19147 233 1 . 1 1 54 54 THR N N 54 110.786 110.786 114.000 -3.214 19147 234 1 . 1 1 54 54 THR HA H 54 3.786 3.786 4.403 -0.617 19147 235 1 . 1 1 54 54 THR C C 54 175.778 175.778 175.439 0.339 19147 236 1 . 1 1 54 54 THR CA C 54 62.088 62.088 63.469 -1.381 19147 237 1 . 1 1 54 54 THR CB C 54 68.634 68.634 69.252 -0.618 19147 238 1 . 1 1 54 54 THR H H 54 7.632 7.632 8.287 -0.655 19147 239 1 . 1 1 55 55 THR N N 55 113.157 113.157 114.653 -1.496 19147 240 1 . 1 1 55 55 THR HA H 55 4.656 4.656 4.321 0.335 19147 241 1 . 1 1 55 55 THR C C 55 175.209 175.209 174.800 0.409 19147 242 1 . 1 1 55 55 THR CA C 55 60.909 60.909 63.144 -2.235 19147 243 1 . 1 1 55 55 THR CB C 55 68.720 68.720 69.384 -0.664 19147 244 1 . 1 1 55 55 THR H H 55 7.746 7.746 8.178 -0.432 19147 245 1 . 1 1 56 56 LYS N N 56 122.548 122.548 119.609 2.939 19147 246 1 . 1 1 56 56 LYS HA H 56 4.247 4.247 4.367 -0.119 19147 247 1 . 1 1 56 56 LYS C C 56 176.726 176.726 175.274 1.452 19147 248 1 . 1 1 56 56 LYS CA C 56 56.714 56.714 56.543 0.171 19147 249 1 . 1 1 56 56 LYS CB C 56 32.279 32.279 33.521 -1.242 19147 250 1 . 1 1 56 56 LYS H H 56 8.344 8.344 8.140 0.204 19147 251 1 . 1 1 57 57 ASP N N 57 119.260 119.260 118.503 0.757 19147 252 1 . 1 1 57 57 ASP HA H 57 4.684 4.684 4.607 0.077 19147 253 1 . 1 1 57 57 ASP C C 57 176.323 176.323 175.877 0.446 19147 254 1 . 1 1 57 57 ASP CA C 57 53.331 53.331 54.068 -0.737 19147 255 1 . 1 1 57 57 ASP CB C 57 41.168 41.168 41.433 -0.265 19147 256 1 . 1 1 57 57 ASP H H 57 8.201 8.201 8.223 -0.022 19147 stop_ save_