data_25653 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25653 _Entry.PDB_ID 2N3P 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 25653 _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 3 3 CYS HA H 3 4.989 4.989 4.653 0.336 25653 2 1 1 . 1 1 3 3 CYS CA C 3 52.524 52.524 57.097 -4.573 25653 3 1 1 . 1 1 3 3 CYS CB C 3 43.609 43.609 29.062 14.547 25653 4 1 1 . 1 1 3 3 CYS H H 3 7.762 7.762 7.640 0.122 25653 5 1 1 . 1 1 4 4 ALA HA H 4 4.326 4.326 4.545 -0.219 25653 6 1 1 . 1 1 4 4 ALA CA C 4 50.194 50.194 51.562 -1.368 25653 7 1 1 . 1 1 4 4 ALA CB C 4 20.591 20.591 19.552 1.039 25653 8 1 1 . 1 1 4 4 ALA H H 4 9.027 9.027 8.731 0.296 25653 9 1 1 . 1 1 5 5 GLU HA H 5 4.026 4.026 4.391 -0.365 25653 10 1 1 . 1 1 5 5 GLU CA C 5 53.176 53.176 54.984 -1.808 25653 11 1 1 . 1 1 5 5 GLU CB C 5 29.310 29.310 30.646 -1.337 25653 12 1 1 . 1 1 5 5 GLU H H 5 7.583 7.583 8.691 -1.108 25653 13 1 1 . 1 1 6 6 GLU HA H 6 3.540 3.540 4.446 -0.906 25653 14 1 1 . 1 1 6 6 GLU CA C 6 56.986 56.986 56.339 0.647 25653 15 1 1 . 1 1 6 6 GLU CB C 6 28.177 28.177 28.978 -0.801 25653 16 1 1 . 1 1 6 6 GLU H H 6 8.031 8.031 8.522 -0.491 25653 17 1 1 . 1 1 7 7 GLY CA C 7 44.986 44.986 45.022 -0.036 25653 18 1 1 . 1 1 7 7 GLY H H 7 8.854 8.854 8.597 0.257 25653 19 1 1 . 1 1 8 8 GLU HA H 8 4.465 4.465 4.706 -0.241 25653 20 1 1 . 1 1 8 8 GLU CA C 8 52.956 52.956 54.378 -1.422 25653 21 1 1 . 1 1 8 8 GLU CB C 8 29.773 29.773 32.779 -3.006 25653 22 1 1 . 1 1 8 8 GLU H H 8 7.819 7.819 7.740 0.079 25653 23 1 1 . 1 1 9 9 SER HA H 9 5.080 5.080 5.142 -0.062 25653 24 1 1 . 1 1 9 9 SER CA C 9 56.778 56.778 57.900 -1.122 25653 25 1 1 . 1 1 9 9 SER CB C 9 64.205 64.205 63.895 0.310 25653 26 1 1 . 1 1 9 9 SER H H 9 8.284 8.284 8.576 -0.292 25653 27 1 1 . 1 1 10 10 CYS HA H 10 5.468 5.468 5.319 0.149 25653 28 1 1 . 1 1 10 10 CYS CA C 10 53.695 53.695 56.520 -2.825 25653 29 1 1 . 1 1 10 10 CYS CB C 10 45.676 45.676 26.396 19.280 25653 30 1 1 . 1 1 10 10 CYS H H 10 7.377 7.377 8.363 -0.986 25653 31 1 1 . 1 1 11 11 GLU HA H 11 3.903 3.903 4.168 -0.265 25653 32 1 1 . 1 1 11 11 GLU CA C 11 57.575 57.575 58.378 -0.803 25653 33 1 1 . 1 1 11 11 GLU CB C 11 28.668 28.668 29.398 -0.730 25653 34 1 1 . 1 1 11 11 GLU H H 11 7.544 7.544 8.422 -0.878 25653 35 1 1 . 1 1 12 12 VAL HA H 12 3.893 3.893 4.130 -0.237 25653 36 1 1 . 1 1 12 12 VAL CA C 12 61.433 61.433 62.598 -1.165 25653 37 1 1 . 1 1 12 12 VAL CB C 12 32.771 32.771 33.971 -1.200 25653 38 1 1 . 1 1 12 12 VAL H H 12 7.536 7.536 7.727 -0.191 25653 39 1 1 . 1 1 13 13 TYR HA H 13 4.603 4.603 5.028 -0.425 25653 40 1 1 . 1 1 13 13 TYR CA C 13 55.557 55.557 54.988 0.569 25653 41 1 1 . 1 1 13 13 TYR CB C 13 38.917 38.917 40.402 -1.485 25653 42 1 1 . 1 1 13 13 TYR H H 13 7.213 7.213 7.951 -0.738 25653 43 1 1 . 1 1 14 14 PRO HA H 14 4.541 4.541 4.597 -0.056 25653 44 1 1 . 1 1 14 14 PRO CA C 14 60.415 60.415 62.529 -2.114 25653 45 1 1 . 1 1 14 14 PRO CB C 14 31.595 31.595 33.138 -1.543 25653 46 1 1 . 1 1 15 15 CYS HA H 15 4.925 4.925 5.661 -0.736 25653 47 1 1 . 1 1 15 15 CYS CA C 15 54.229 54.229 58.707 -4.478 25653 48 1 1 . 1 1 15 15 CYS CB C 15 39.173 39.173 28.923 10.250 25653 49 1 1 . 1 1 15 15 CYS H H 15 8.986 8.986 8.541 0.445 25653 50 1 1 . 1 1 16 16 CYS HA H 16 4.423 4.423 4.605 -0.182 25653 51 1 1 . 1 1 16 16 CYS CA C 16 52.994 52.994 60.336 -7.342 25653 52 1 1 . 1 1 16 16 CYS CB C 16 40.662 40.662 28.332 12.330 25653 53 1 1 . 1 1 16 16 CYS H H 16 9.018 9.018 9.061 -0.043 25653 54 1 1 . 1 1 17 17 ASP HA H 17 4.218 4.218 4.625 -0.407 25653 55 1 1 . 1 1 17 17 ASP CA C 17 51.378 51.378 55.020 -3.642 25653 56 1 1 . 1 1 17 17 ASP CB C 17 37.397 37.397 40.466 -3.069 25653 57 1 1 . 1 1 17 17 ASP H H 17 9.414 9.414 8.336 1.078 25653 58 1 1 . 1 1 18 18 GLY CA C 18 43.836 43.836 45.157 -1.321 25653 59 1 1 . 1 1 19 19 LEU HA H 19 4.130 4.130 4.593 -0.463 25653 60 1 1 . 1 1 19 19 LEU CA C 19 53.875 53.875 54.400 -0.525 25653 61 1 1 . 1 1 19 19 LEU CB C 19 41.530 41.530 43.257 -1.727 25653 62 1 1 . 1 1 19 19 LEU H H 19 6.878 6.878 7.711 -0.833 25653 63 1 1 . 1 1 20 20 ILE HA H 20 4.015 4.015 4.228 -0.213 25653 64 1 1 . 1 1 20 20 ILE CA C 20 57.950 57.950 59.932 -1.982 25653 65 1 1 . 1 1 20 20 ILE CB C 20 40.182 40.182 41.140 -0.958 25653 66 1 1 . 1 1 20 20 ILE H H 20 8.102 8.102 8.412 -0.310 25653 67 1 1 . 1 1 21 21 CYS HA H 21 4.735 4.735 4.909 -0.174 25653 68 1 1 . 1 1 21 21 CYS CA C 21 53.258 53.258 58.957 -5.699 25653 69 1 1 . 1 1 21 21 CYS CB C 21 38.612 38.612 25.318 13.294 25653 70 1 1 . 1 1 21 21 CYS H H 21 8.516 8.516 8.694 -0.178 25653 71 1 1 . 1 1 22 22 TYR HA H 22 4.404 4.404 4.636 -0.232 25653 72 1 1 . 1 1 22 22 TYR CA C 22 56.386 56.386 56.554 -0.168 25653 73 1 1 . 1 1 22 22 TYR CB C 22 39.225 39.225 39.096 0.129 25653 74 1 1 . 1 1 22 22 TYR H H 22 8.859 8.859 9.421 -0.562 25653 75 1 1 . 1 1 23 23 PRO HA H 23 4.510 4.510 4.436 0.074 25653 76 1 1 . 1 1 23 23 PRO CA C 23 61.466 61.466 62.818 -1.352 25653 77 1 1 . 1 1 23 23 PRO CB C 23 27.705 27.705 29.927 -2.222 25653 78 1 1 . 1 1 24 24 THR HA H 24 4.994 4.994 4.523 0.471 25653 79 1 1 . 1 1 24 24 THR CA C 24 60.198 60.198 61.106 -0.908 25653 80 1 1 . 1 1 24 24 THR CB C 24 68.850 68.850 70.848 -1.998 25653 81 1 1 . 1 1 24 24 THR H H 24 7.959 7.959 8.181 -0.222 25653 82 1 1 . 1 1 25 25 PHE HA H 25 4.594 4.594 4.922 -0.328 25653 83 1 1 . 1 1 25 25 PHE CA C 25 53.270 53.270 55.017 -1.747 25653 84 1 1 . 1 1 25 25 PHE CB C 25 41.647 41.647 40.212 1.435 25653 85 1 1 . 1 1 25 25 PHE H H 25 8.297 8.297 8.508 -0.211 25653 86 1 1 . 1 1 26 26 PRO HA H 26 3.626 3.626 4.371 -0.745 25653 87 1 1 . 1 1 26 26 PRO CA C 26 62.856 62.856 64.269 -1.413 25653 88 1 1 . 1 1 26 26 PRO CB C 26 33.648 33.648 31.820 1.828 25653 89 1 1 . 1 1 27 27 GLU HA H 27 4.744 4.744 4.469 0.275 25653 90 1 1 . 1 1 27 27 GLU CA C 27 51.119 51.119 52.730 -1.611 25653 91 1 1 . 1 1 27 27 GLU CB C 27 28.919 28.919 30.157 -1.238 25653 92 1 1 . 1 1 27 27 GLU H H 27 7.227 7.227 8.130 -0.902 25653 93 1 1 . 1 1 28 28 PRO HA H 28 4.897 4.897 4.749 0.148 25653 94 1 1 . 1 1 28 28 PRO CA C 28 62.335 62.335 62.736 -0.401 25653 95 1 1 . 1 1 28 28 PRO CB C 28 32.209 32.209 32.586 -0.377 25653 96 1 1 . 1 1 29 29 ILE HA H 29 4.901 4.901 4.844 0.057 25653 97 1 1 . 1 1 29 29 ILE CA C 29 57.862 57.862 57.930 -0.068 25653 98 1 1 . 1 1 29 29 ILE CB C 29 42.462 42.462 41.178 1.284 25653 99 1 1 . 1 1 29 29 ILE H H 29 7.717 7.717 7.905 -0.188 25653 100 1 1 . 1 1 30 30 CYS HA H 30 5.485 5.485 5.073 0.412 25653 101 1 1 . 1 1 30 30 CYS CA C 30 54.566 54.566 58.599 -4.033 25653 102 1 1 . 1 1 30 30 CYS CB C 30 40.404 40.404 26.447 13.957 25653 103 1 1 . 1 1 30 30 CYS H H 30 8.439 8.439 8.431 0.008 25653 104 1 1 . 1 1 31 31 GLY CA C 31 44.788 44.788 44.913 -0.126 25653 105 1 1 . 1 1 31 31 GLY H H 31 9.902 9.902 9.274 0.628 25653 106 1 2 . 1 1 3 3 CYS HA H 3 4.989 4.989 4.668 0.321 25653 107 1 2 . 1 1 3 3 CYS CA C 3 52.524 52.524 57.103 -4.580 25653 108 1 2 . 1 1 3 3 CYS CB C 3 43.609 43.609 29.129 14.480 25653 109 1 2 . 1 1 3 3 CYS H H 3 7.762 7.762 7.698 0.064 25653 110 1 2 . 1 1 4 4 ALA HA H 4 4.326 4.326 4.549 -0.223 25653 111 1 2 . 1 1 4 4 ALA CA C 4 50.194 50.194 51.547 -1.353 25653 112 1 2 . 1 1 4 4 ALA CB C 4 20.591 20.591 19.550 1.041 25653 113 1 2 . 1 1 4 4 ALA H H 4 9.027 9.027 8.749 0.278 25653 114 1 2 . 1 1 5 5 GLU HA H 5 4.026 4.026 4.394 -0.368 25653 115 1 2 . 1 1 5 5 GLU CA C 5 53.176 53.176 54.985 -1.809 25653 116 1 2 . 1 1 5 5 GLU CB C 5 29.310 29.310 30.650 -1.340 25653 117 1 2 . 1 1 5 5 GLU H H 5 7.583 7.583 8.692 -1.109 25653 118 1 2 . 1 1 6 6 GLU HA H 6 3.540 3.540 4.445 -0.905 25653 119 1 2 . 1 1 6 6 GLU CA C 6 56.986 56.986 56.351 0.635 25653 120 1 2 . 1 1 6 6 GLU CB C 6 28.177 28.177 28.973 -0.796 25653 121 1 2 . 1 1 6 6 GLU H H 6 8.031 8.031 8.526 -0.495 25653 122 1 2 . 1 1 7 7 GLY CA C 7 44.986 44.986 45.021 -0.035 25653 123 1 2 . 1 1 7 7 GLY H H 7 8.854 8.854 8.596 0.258 25653 124 1 2 . 1 1 8 8 GLU HA H 8 4.465 4.465 4.722 -0.257 25653 125 1 2 . 1 1 8 8 GLU CA C 8 52.956 52.956 54.377 -1.421 25653 126 1 2 . 1 1 8 8 GLU CB C 8 29.773 29.773 32.884 -3.111 25653 127 1 2 . 1 1 8 8 GLU H H 8 7.819 7.819 7.732 0.087 25653 128 1 2 . 1 1 9 9 SER HA H 9 5.080 5.080 5.112 -0.032 25653 129 1 2 . 1 1 9 9 SER CA C 9 56.778 56.778 57.951 -1.173 25653 130 1 2 . 1 1 9 9 SER CB C 9 64.205 64.205 63.845 0.360 25653 131 1 2 . 1 1 9 9 SER H H 9 8.284 8.284 8.552 -0.268 25653 132 1 2 . 1 1 10 10 CYS HA H 10 5.468 5.468 5.285 0.183 25653 133 1 2 . 1 1 10 10 CYS CA C 10 53.695 53.695 56.557 -2.862 25653 134 1 2 . 1 1 10 10 CYS CB C 10 45.676 45.676 26.360 19.317 25653 135 1 2 . 1 1 10 10 CYS H H 10 7.377 7.377 8.341 -0.964 25653 136 1 2 . 1 1 11 11 GLU HA H 11 3.903 3.903 4.206 -0.303 25653 137 1 2 . 1 1 11 11 GLU CA C 11 57.575 57.575 58.231 -0.656 25653 138 1 2 . 1 1 11 11 GLU CB C 11 28.668 28.668 29.409 -0.741 25653 139 1 2 . 1 1 11 11 GLU H H 11 7.544 7.544 8.416 -0.872 25653 140 1 2 . 1 1 12 12 VAL HA H 12 3.893 3.893 4.130 -0.237 25653 141 1 2 . 1 1 12 12 VAL CA C 12 61.433 61.433 62.995 -1.562 25653 142 1 2 . 1 1 12 12 VAL CB C 12 32.771 32.771 33.529 -0.758 25653 143 1 2 . 1 1 12 12 VAL H H 12 7.536 7.536 7.747 -0.211 25653 144 1 2 . 1 1 13 13 TYR HA H 13 4.603 4.603 5.067 -0.464 25653 145 1 2 . 1 1 13 13 TYR CA C 13 55.557 55.557 55.153 0.404 25653 146 1 2 . 1 1 13 13 TYR CB C 13 38.917 38.917 40.399 -1.482 25653 147 1 2 . 1 1 13 13 TYR H H 13 7.213 7.213 7.996 -0.783 25653 148 1 2 . 1 1 14 14 PRO HA H 14 4.541 4.541 4.597 -0.056 25653 149 1 2 . 1 1 14 14 PRO CA C 14 60.415 60.415 62.526 -2.111 25653 150 1 2 . 1 1 14 14 PRO CB C 14 31.595 31.595 33.140 -1.545 25653 151 1 2 . 1 1 15 15 CYS HA H 15 4.925 4.925 5.669 -0.744 25653 152 1 2 . 1 1 15 15 CYS CA C 15 54.229 54.229 58.715 -4.486 25653 153 1 2 . 1 1 15 15 CYS CB C 15 39.173 39.173 28.922 10.251 25653 154 1 2 . 1 1 15 15 CYS H H 15 8.986 8.986 8.543 0.443 25653 155 1 2 . 1 1 16 16 CYS HA H 16 4.423 4.423 4.589 -0.166 25653 156 1 2 . 1 1 16 16 CYS CA C 16 52.994 52.994 60.106 -7.112 25653 157 1 2 . 1 1 16 16 CYS CB C 16 40.662 40.662 28.419 12.243 25653 158 1 2 . 1 1 16 16 CYS H H 16 9.018 9.018 8.977 0.041 25653 159 1 2 . 1 1 17 17 ASP HA H 17 4.218 4.218 4.619 -0.401 25653 160 1 2 . 1 1 17 17 ASP CA C 17 51.378 51.378 55.386 -4.008 25653 161 1 2 . 1 1 17 17 ASP CB C 17 37.397 37.397 40.426 -3.029 25653 162 1 2 . 1 1 17 17 ASP H H 17 9.414 9.414 8.331 1.083 25653 163 1 2 . 1 1 18 18 GLY CA C 18 43.836 43.836 45.151 -1.315 25653 164 1 2 . 1 1 19 19 LEU HA H 19 4.130 4.130 4.593 -0.463 25653 165 1 2 . 1 1 19 19 LEU CA C 19 53.875 53.875 54.396 -0.521 25653 166 1 2 . 1 1 19 19 LEU CB C 19 41.530 41.530 43.258 -1.728 25653 167 1 2 . 1 1 19 19 LEU H H 19 6.878 6.878 7.713 -0.835 25653 168 1 2 . 1 1 20 20 ILE HA H 20 4.015 4.015 4.228 -0.213 25653 169 1 2 . 1 1 20 20 ILE CA C 20 57.950 57.950 59.935 -1.985 25653 170 1 2 . 1 1 20 20 ILE CB C 20 40.182 40.182 41.131 -0.949 25653 171 1 2 . 1 1 20 20 ILE H H 20 8.102 8.102 8.413 -0.311 25653 172 1 2 . 1 1 21 21 CYS HA H 21 4.735 4.735 4.907 -0.172 25653 173 1 2 . 1 1 21 21 CYS CA C 21 53.258 53.258 58.954 -5.696 25653 174 1 2 . 1 1 21 21 CYS CB C 21 38.612 38.612 25.321 13.291 25653 175 1 2 . 1 1 21 21 CYS H H 21 8.516 8.516 8.694 -0.178 25653 176 1 2 . 1 1 22 22 TYR HA H 22 4.404 4.404 4.636 -0.232 25653 177 1 2 . 1 1 22 22 TYR CA C 22 56.386 56.386 56.556 -0.170 25653 178 1 2 . 1 1 22 22 TYR CB C 22 39.225 39.225 39.097 0.128 25653 179 1 2 . 1 1 22 22 TYR H H 22 8.859 8.859 9.421 -0.562 25653 180 1 2 . 1 1 23 23 PRO HA H 23 4.510 4.510 4.418 0.092 25653 181 1 2 . 1 1 23 23 PRO CA C 23 61.466 61.466 62.824 -1.358 25653 182 1 2 . 1 1 23 23 PRO CB C 23 27.705 27.705 29.840 -2.135 25653 183 1 2 . 1 1 24 24 THR HA H 24 4.994 4.994 4.582 0.412 25653 184 1 2 . 1 1 24 24 THR CA C 24 60.198 60.198 61.235 -1.037 25653 185 1 2 . 1 1 24 24 THR CB C 24 68.850 68.850 70.914 -2.064 25653 186 1 2 . 1 1 24 24 THR H H 24 7.959 7.959 8.075 -0.116 25653 187 1 2 . 1 1 25 25 PHE HA H 25 4.594 4.594 4.873 -0.279 25653 188 1 2 . 1 1 25 25 PHE CA C 25 53.270 53.270 55.071 -1.801 25653 189 1 2 . 1 1 25 25 PHE CB C 25 41.647 41.647 40.175 1.472 25653 190 1 2 . 1 1 25 25 PHE H H 25 8.297 8.297 8.496 -0.199 25653 191 1 2 . 1 1 26 26 PRO HA H 26 3.626 3.626 4.371 -0.745 25653 192 1 2 . 1 1 26 26 PRO CA C 26 62.856 62.856 64.268 -1.412 25653 193 1 2 . 1 1 26 26 PRO CB C 26 33.648 33.648 31.820 1.828 25653 194 1 2 . 1 1 27 27 GLU HA H 27 4.744 4.744 4.470 0.275 25653 195 1 2 . 1 1 27 27 GLU CA C 27 51.119 51.119 52.731 -1.612 25653 196 1 2 . 1 1 27 27 GLU CB C 27 28.919 28.919 30.139 -1.220 25653 197 1 2 . 1 1 27 27 GLU H H 27 7.227 7.227 8.130 -0.903 25653 198 1 2 . 1 1 28 28 PRO HA H 28 4.897 4.897 4.752 0.145 25653 199 1 2 . 1 1 28 28 PRO CA C 28 62.335 62.335 62.742 -0.407 25653 200 1 2 . 1 1 28 28 PRO CB C 28 32.209 32.209 32.572 -0.363 25653 201 1 2 . 1 1 29 29 ILE HA H 29 4.901 4.901 4.845 0.056 25653 202 1 2 . 1 1 29 29 ILE CA C 29 57.862 57.862 57.924 -0.062 25653 203 1 2 . 1 1 29 29 ILE CB C 29 42.462 42.462 41.166 1.296 25653 204 1 2 . 1 1 29 29 ILE H H 29 7.717 7.717 7.904 -0.188 25653 205 1 2 . 1 1 30 30 CYS HA H 30 5.485 5.485 5.074 0.411 25653 206 1 2 . 1 1 30 30 CYS CA C 30 54.566 54.566 58.601 -4.035 25653 207 1 2 . 1 1 30 30 CYS CB C 30 40.404 40.404 26.449 13.955 25653 208 1 2 . 1 1 30 30 CYS H H 30 8.439 8.439 8.431 0.008 25653 209 1 2 . 1 1 31 31 GLY CA C 31 44.788 44.788 44.994 -0.206 25653 210 1 2 . 1 1 31 31 GLY H H 31 9.902 9.902 9.253 0.649 25653 211 1 3 . 1 1 3 3 CYS HA H 3 4.989 4.989 4.655 0.334 25653 212 1 3 . 1 1 3 3 CYS CA C 3 52.524 52.524 57.122 -4.598 25653 213 1 3 . 1 1 3 3 CYS CB C 3 43.609 43.609 29.102 14.507 25653 214 1 3 . 1 1 3 3 CYS H H 3 7.762 7.762 7.673 0.089 25653 215 1 3 . 1 1 4 4 ALA HA H 4 4.326 4.326 4.546 -0.220 25653 216 1 3 . 1 1 4 4 ALA CA C 4 50.194 50.194 51.544 -1.351 25653 217 1 3 . 1 1 4 4 ALA CB C 4 20.591 20.591 19.504 1.087 25653 218 1 3 . 1 1 4 4 ALA H H 4 9.027 9.027 8.764 0.263 25653 219 1 3 . 1 1 5 5 GLU HA H 5 4.026 4.026 4.384 -0.358 25653 220 1 3 . 1 1 5 5 GLU CA C 5 53.176 53.176 55.023 -1.847 25653 221 1 3 . 1 1 5 5 GLU CB C 5 29.310 29.310 30.614 -1.304 25653 222 1 3 . 1 1 5 5 GLU H H 5 7.583 7.583 8.674 -1.091 25653 223 1 3 . 1 1 6 6 GLU HA H 6 3.540 3.540 4.452 -0.912 25653 224 1 3 . 1 1 6 6 GLU CA C 6 56.986 56.986 56.323 0.663 25653 225 1 3 . 1 1 6 6 GLU CB C 6 28.177 28.177 28.973 -0.796 25653 226 1 3 . 1 1 6 6 GLU H H 6 8.031 8.031 8.519 -0.488 25653 227 1 3 . 1 1 7 7 GLY CA C 7 44.986 44.986 45.016 -0.030 25653 228 1 3 . 1 1 7 7 GLY H H 7 8.854 8.854 8.588 0.266 25653 229 1 3 . 1 1 8 8 GLU HA H 8 4.465 4.465 4.728 -0.263 25653 230 1 3 . 1 1 8 8 GLU CA C 8 52.956 52.956 54.309 -1.353 25653 231 1 3 . 1 1 8 8 GLU CB C 8 29.773 29.773 32.762 -2.989 25653 232 1 3 . 1 1 8 8 GLU H H 8 7.819 7.819 7.731 0.088 25653 233 1 3 . 1 1 9 9 SER HA H 9 5.080 5.080 5.100 -0.020 25653 234 1 3 . 1 1 9 9 SER CA C 9 56.778 56.778 58.027 -1.249 25653 235 1 3 . 1 1 9 9 SER CB C 9 64.205 64.205 63.660 0.545 25653 236 1 3 . 1 1 9 9 SER H H 9 8.284 8.284 8.563 -0.279 25653 237 1 3 . 1 1 10 10 CYS HA H 10 5.468 5.468 5.355 0.113 25653 238 1 3 . 1 1 10 10 CYS CA C 10 53.695 53.695 56.681 -2.986 25653 239 1 3 . 1 1 10 10 CYS CB C 10 45.676 45.676 26.210 19.466 25653 240 1 3 . 1 1 10 10 CYS H H 10 7.377 7.377 8.312 -0.935 25653 241 1 3 . 1 1 11 11 GLU HA H 11 3.903 3.903 4.217 -0.314 25653 242 1 3 . 1 1 11 11 GLU CA C 11 57.575 57.575 58.249 -0.674 25653 243 1 3 . 1 1 11 11 GLU CB C 11 28.668 28.668 29.183 -0.515 25653 244 1 3 . 1 1 11 11 GLU H H 11 7.544 7.544 8.398 -0.854 25653 245 1 3 . 1 1 12 12 VAL HA H 12 3.893 3.893 4.147 -0.254 25653 246 1 3 . 1 1 12 12 VAL CA C 12 61.433 61.433 62.982 -1.549 25653 247 1 3 . 1 1 12 12 VAL CB C 12 32.771 32.771 33.693 -0.922 25653 248 1 3 . 1 1 12 12 VAL H H 12 7.536 7.536 7.740 -0.204 25653 249 1 3 . 1 1 13 13 TYR HA H 13 4.603 4.603 5.042 -0.439 25653 250 1 3 . 1 1 13 13 TYR CA C 13 55.557 55.557 55.306 0.251 25653 251 1 3 . 1 1 13 13 TYR CB C 13 38.917 38.917 40.592 -1.675 25653 252 1 3 . 1 1 13 13 TYR H H 13 7.213 7.213 7.965 -0.752 25653 253 1 3 . 1 1 14 14 PRO HA H 14 4.541 4.541 4.593 -0.052 25653 254 1 3 . 1 1 14 14 PRO CA C 14 60.415 60.415 62.553 -2.138 25653 255 1 3 . 1 1 14 14 PRO CB C 14 31.595 31.595 33.121 -1.526 25653 256 1 3 . 1 1 15 15 CYS HA H 15 4.925 4.925 5.636 -0.711 25653 257 1 3 . 1 1 15 15 CYS CA C 15 54.229 54.229 58.849 -4.620 25653 258 1 3 . 1 1 15 15 CYS CB C 15 39.173 39.173 28.763 10.410 25653 259 1 3 . 1 1 15 15 CYS H H 15 8.986 8.986 8.562 0.424 25653 260 1 3 . 1 1 16 16 CYS HA H 16 4.423 4.423 4.588 -0.165 25653 261 1 3 . 1 1 16 16 CYS CA C 16 52.994 52.994 60.112 -7.119 25653 262 1 3 . 1 1 16 16 CYS CB C 16 40.662 40.662 28.419 12.243 25653 263 1 3 . 1 1 16 16 CYS H H 16 9.018 9.018 8.988 0.030 25653 264 1 3 . 1 1 17 17 ASP HA H 17 4.218 4.218 4.620 -0.402 25653 265 1 3 . 1 1 17 17 ASP CA C 17 51.378 51.378 55.367 -3.989 25653 266 1 3 . 1 1 17 17 ASP CB C 17 37.397 37.397 40.418 -3.021 25653 267 1 3 . 1 1 17 17 ASP H H 17 9.414 9.414 8.327 1.087 25653 268 1 3 . 1 1 18 18 GLY CA C 18 43.836 43.836 45.162 -1.326 25653 269 1 3 . 1 1 19 19 LEU HA H 19 4.130 4.130 4.590 -0.460 25653 270 1 3 . 1 1 19 19 LEU CA C 19 53.875 53.875 54.374 -0.499 25653 271 1 3 . 1 1 19 19 LEU CB C 19 41.530 41.530 43.266 -1.736 25653 272 1 3 . 1 1 19 19 LEU H H 19 6.878 6.878 7.715 -0.837 25653 273 1 3 . 1 1 20 20 ILE HA H 20 4.015 4.015 4.226 -0.211 25653 274 1 3 . 1 1 20 20 ILE CA C 20 57.950 57.950 59.960 -2.010 25653 275 1 3 . 1 1 20 20 ILE CB C 20 40.182 40.182 41.080 -0.898 25653 276 1 3 . 1 1 20 20 ILE H H 20 8.102 8.102 8.424 -0.322 25653 277 1 3 . 1 1 21 21 CYS HA H 21 4.735 4.735 4.910 -0.175 25653 278 1 3 . 1 1 21 21 CYS CA C 21 53.258 53.258 58.956 -5.698 25653 279 1 3 . 1 1 21 21 CYS CB C 21 38.612 38.612 25.337 13.275 25653 280 1 3 . 1 1 21 21 CYS H H 21 8.516 8.516 8.688 -0.172 25653 281 1 3 . 1 1 22 22 TYR HA H 22 4.404 4.404 4.644 -0.240 25653 282 1 3 . 1 1 22 22 TYR CA C 22 56.386 56.386 56.526 -0.140 25653 283 1 3 . 1 1 22 22 TYR CB C 22 39.225 39.225 39.124 0.101 25653 284 1 3 . 1 1 22 22 TYR H H 22 8.859 8.859 9.429 -0.570 25653 285 1 3 . 1 1 23 23 PRO HA H 23 4.510 4.510 4.429 0.081 25653 286 1 3 . 1 1 23 23 PRO CA C 23 61.466 61.466 63.019 -1.552 25653 287 1 3 . 1 1 23 23 PRO CB C 23 27.705 27.705 29.531 -1.826 25653 288 1 3 . 1 1 24 24 THR HA H 24 4.994 4.994 4.561 0.433 25653 289 1 3 . 1 1 24 24 THR CA C 24 60.198 60.198 60.909 -0.711 25653 290 1 3 . 1 1 24 24 THR CB C 24 68.850 68.850 70.908 -2.058 25653 291 1 3 . 1 1 24 24 THR H H 24 7.959 7.959 8.077 -0.118 25653 292 1 3 . 1 1 25 25 PHE HA H 25 4.594 4.594 4.917 -0.323 25653 293 1 3 . 1 1 25 25 PHE CA C 25 53.270 53.270 54.966 -1.696 25653 294 1 3 . 1 1 25 25 PHE CB C 25 41.647 41.647 40.179 1.468 25653 295 1 3 . 1 1 25 25 PHE H H 25 8.297 8.297 8.584 -0.287 25653 296 1 3 . 1 1 26 26 PRO HA H 26 3.626 3.626 4.363 -0.737 25653 297 1 3 . 1 1 26 26 PRO CA C 26 62.856 62.856 64.279 -1.423 25653 298 1 3 . 1 1 26 26 PRO CB C 26 33.648 33.648 31.813 1.835 25653 299 1 3 . 1 1 27 27 GLU HA H 27 4.744 4.744 4.390 0.354 25653 300 1 3 . 1 1 27 27 GLU CA C 27 51.119 51.119 52.931 -1.812 25653 301 1 3 . 1 1 27 27 GLU CB C 27 28.919 28.919 30.130 -1.211 25653 302 1 3 . 1 1 27 27 GLU H H 27 7.227 7.227 8.036 -0.809 25653 303 1 3 . 1 1 28 28 PRO HA H 28 4.897 4.897 4.687 0.210 25653 304 1 3 . 1 1 28 28 PRO CA C 28 62.335 62.335 62.650 -0.315 25653 305 1 3 . 1 1 28 28 PRO CB C 28 32.209 32.209 32.548 -0.339 25653 306 1 3 . 1 1 29 29 ILE HA H 29 4.901 4.901 4.832 0.069 25653 307 1 3 . 1 1 29 29 ILE CA C 29 57.862 57.862 57.907 -0.045 25653 308 1 3 . 1 1 29 29 ILE CB C 29 42.462 42.462 41.109 1.353 25653 309 1 3 . 1 1 29 29 ILE H H 29 7.717 7.717 7.906 -0.189 25653 310 1 3 . 1 1 30 30 CYS HA H 30 5.485 5.485 5.087 0.398 25653 311 1 3 . 1 1 30 30 CYS CA C 30 54.566 54.566 58.573 -4.007 25653 312 1 3 . 1 1 30 30 CYS CB C 30 40.404 40.404 26.486 13.918 25653 313 1 3 . 1 1 30 30 CYS H H 30 8.439 8.439 8.430 0.009 25653 314 1 3 . 1 1 31 31 GLY CA C 31 44.788 44.788 45.020 -0.232 25653 315 1 3 . 1 1 31 31 GLY H H 31 9.902 9.902 9.255 0.647 25653 316 1 4 . 1 1 3 3 CYS HA H 3 4.989 4.989 4.645 0.344 25653 317 1 4 . 1 1 3 3 CYS CA C 3 52.524 52.524 57.070 -4.546 25653 318 1 4 . 1 1 3 3 CYS CB C 3 43.609 43.609 29.056 14.553 25653 319 1 4 . 1 1 3 3 CYS H H 3 7.762 7.762 7.593 0.169 25653 320 1 4 . 1 1 4 4 ALA HA H 4 4.326 4.326 4.554 -0.228 25653 321 1 4 . 1 1 4 4 ALA CA C 4 50.194 50.194 51.518 -1.324 25653 322 1 4 . 1 1 4 4 ALA CB C 4 20.591 20.591 19.526 1.065 25653 323 1 4 . 1 1 4 4 ALA H H 4 9.027 9.027 8.775 0.252 25653 324 1 4 . 1 1 5 5 GLU HA H 5 4.026 4.026 4.389 -0.363 25653 325 1 4 . 1 1 5 5 GLU CA C 5 53.176 53.176 54.997 -1.821 25653 326 1 4 . 1 1 5 5 GLU CB C 5 29.310 29.310 30.640 -1.330 25653 327 1 4 . 1 1 5 5 GLU H H 5 7.583 7.583 8.676 -1.093 25653 328 1 4 . 1 1 6 6 GLU HA H 6 3.540 3.540 4.452 -0.912 25653 329 1 4 . 1 1 6 6 GLU CA C 6 56.986 56.986 56.324 0.662 25653 330 1 4 . 1 1 6 6 GLU CB C 6 28.177 28.177 28.966 -0.789 25653 331 1 4 . 1 1 6 6 GLU H H 6 8.031 8.031 8.521 -0.490 25653 332 1 4 . 1 1 7 7 GLY CA C 7 44.986 44.986 45.012 -0.026 25653 333 1 4 . 1 1 7 7 GLY H H 7 8.854 8.854 8.581 0.273 25653 334 1 4 . 1 1 8 8 GLU HA H 8 4.465 4.465 4.806 -0.341 25653 335 1 4 . 1 1 8 8 GLU CA C 8 52.956 52.956 54.395 -1.439 25653 336 1 4 . 1 1 8 8 GLU CB C 8 29.773 29.773 33.416 -3.643 25653 337 1 4 . 1 1 8 8 GLU H H 8 7.819 7.819 7.641 0.178 25653 338 1 4 . 1 1 9 9 SER HA H 9 5.080 5.080 5.148 -0.068 25653 339 1 4 . 1 1 9 9 SER CA C 9 56.778 56.778 57.727 -0.949 25653 340 1 4 . 1 1 9 9 SER CB C 9 64.205 64.205 63.770 0.435 25653 341 1 4 . 1 1 9 9 SER H H 9 8.284 8.284 8.620 -0.336 25653 342 1 4 . 1 1 10 10 CYS HA H 10 5.468 5.468 5.402 0.066 25653 343 1 4 . 1 1 10 10 CYS CA C 10 53.695 53.695 56.588 -2.893 25653 344 1 4 . 1 1 10 10 CYS CB C 10 45.676 45.676 26.181 19.495 25653 345 1 4 . 1 1 10 10 CYS H H 10 7.377 7.377 8.394 -1.017 25653 346 1 4 . 1 1 11 11 GLU HA H 11 3.903 3.903 4.187 -0.284 25653 347 1 4 . 1 1 11 11 GLU CA C 11 57.575 57.575 58.423 -0.848 25653 348 1 4 . 1 1 11 11 GLU CB C 11 28.668 28.668 29.184 -0.516 25653 349 1 4 . 1 1 11 11 GLU H H 11 7.544 7.544 8.420 -0.876 25653 350 1 4 . 1 1 12 12 VAL HA H 12 3.893 3.893 4.164 -0.271 25653 351 1 4 . 1 1 12 12 VAL CA C 12 61.433 61.433 62.529 -1.096 25653 352 1 4 . 1 1 12 12 VAL CB C 12 32.771 32.771 34.139 -1.368 25653 353 1 4 . 1 1 12 12 VAL H H 12 7.536 7.536 7.723 -0.187 25653 354 1 4 . 1 1 13 13 TYR HA H 13 4.603 4.603 5.001 -0.398 25653 355 1 4 . 1 1 13 13 TYR CA C 13 55.557 55.557 55.139 0.418 25653 356 1 4 . 1 1 13 13 TYR CB C 13 38.917 38.917 40.548 -1.631 25653 357 1 4 . 1 1 13 13 TYR H H 13 7.213 7.213 7.933 -0.720 25653 358 1 4 . 1 1 14 14 PRO HA H 14 4.541 4.541 4.593 -0.052 25653 359 1 4 . 1 1 14 14 PRO CA C 14 60.415 60.415 62.558 -2.143 25653 360 1 4 . 1 1 14 14 PRO CB C 14 31.595 31.595 33.111 -1.516 25653 361 1 4 . 1 1 15 15 CYS HA H 15 4.925 4.925 5.649 -0.724 25653 362 1 4 . 1 1 15 15 CYS CA C 15 54.229 54.229 58.847 -4.618 25653 363 1 4 . 1 1 15 15 CYS CB C 15 39.173 39.173 28.768 10.405 25653 364 1 4 . 1 1 15 15 CYS H H 15 8.986 8.986 8.566 0.420 25653 365 1 4 . 1 1 16 16 CYS HA H 16 4.423 4.423 4.583 -0.160 25653 366 1 4 . 1 1 16 16 CYS CA C 16 52.994 52.994 60.147 -7.152 25653 367 1 4 . 1 1 16 16 CYS CB C 16 40.662 40.662 28.392 12.270 25653 368 1 4 . 1 1 16 16 CYS H H 16 9.018 9.018 9.000 0.018 25653 369 1 4 . 1 1 17 17 ASP HA H 17 4.218 4.218 4.617 -0.399 25653 370 1 4 . 1 1 17 17 ASP CA C 17 51.378 51.378 55.366 -3.988 25653 371 1 4 . 1 1 17 17 ASP CB C 17 37.397 37.397 40.437 -3.040 25653 372 1 4 . 1 1 17 17 ASP H H 17 9.414 9.414 8.327 1.087 25653 373 1 4 . 1 1 18 18 GLY CA C 18 43.836 43.836 45.150 -1.314 25653 374 1 4 . 1 1 19 19 LEU HA H 19 4.130 4.130 4.545 -0.415 25653 375 1 4 . 1 1 19 19 LEU CA C 19 53.875 53.875 54.413 -0.538 25653 376 1 4 . 1 1 19 19 LEU CB C 19 41.530 41.530 43.129 -1.599 25653 377 1 4 . 1 1 19 19 LEU H H 19 6.878 6.878 7.719 -0.841 25653 378 1 4 . 1 1 20 20 ILE HA H 20 4.015 4.015 4.221 -0.206 25653 379 1 4 . 1 1 20 20 ILE CA C 20 57.950 57.950 60.197 -2.247 25653 380 1 4 . 1 1 20 20 ILE CB C 20 40.182 40.182 40.990 -0.808 25653 381 1 4 . 1 1 20 20 ILE H H 20 8.102 8.102 8.416 -0.314 25653 382 1 4 . 1 1 21 21 CYS HA H 21 4.735 4.735 4.952 -0.216 25653 383 1 4 . 1 1 21 21 CYS CA C 21 53.258 53.258 58.773 -5.515 25653 384 1 4 . 1 1 21 21 CYS CB C 21 38.612 38.612 25.437 13.175 25653 385 1 4 . 1 1 21 21 CYS H H 21 8.516 8.516 8.678 -0.162 25653 386 1 4 . 1 1 22 22 TYR HA H 22 4.404 4.404 4.645 -0.241 25653 387 1 4 . 1 1 22 22 TYR CA C 22 56.386 56.386 56.520 -0.134 25653 388 1 4 . 1 1 22 22 TYR CB C 22 39.225 39.225 39.144 0.081 25653 389 1 4 . 1 1 22 22 TYR H H 22 8.859 8.859 9.419 -0.560 25653 390 1 4 . 1 1 23 23 PRO HA H 23 4.510 4.510 4.421 0.089 25653 391 1 4 . 1 1 23 23 PRO CA C 23 61.466 61.466 62.815 -1.349 25653 392 1 4 . 1 1 23 23 PRO CB C 23 27.705 27.705 29.855 -2.150 25653 393 1 4 . 1 1 24 24 THR HA H 24 4.994 4.994 4.586 0.408 25653 394 1 4 . 1 1 24 24 THR CA C 24 60.198 60.198 61.218 -1.020 25653 395 1 4 . 1 1 24 24 THR CB C 24 68.850 68.850 70.935 -2.085 25653 396 1 4 . 1 1 24 24 THR H H 24 7.959 7.959 8.069 -0.110 25653 397 1 4 . 1 1 25 25 PHE HA H 25 4.594 4.594 4.869 -0.275 25653 398 1 4 . 1 1 25 25 PHE CA C 25 53.270 53.270 55.136 -1.866 25653 399 1 4 . 1 1 25 25 PHE CB C 25 41.647 41.647 40.095 1.552 25653 400 1 4 . 1 1 25 25 PHE H H 25 8.297 8.297 8.505 -0.208 25653 401 1 4 . 1 1 26 26 PRO HA H 26 3.626 3.626 4.379 -0.753 25653 402 1 4 . 1 1 26 26 PRO CA C 26 62.856 62.856 64.037 -1.181 25653 403 1 4 . 1 1 26 26 PRO CB C 26 33.648 33.648 31.877 1.771 25653 404 1 4 . 1 1 27 27 GLU HA H 27 4.744 4.744 4.493 0.251 25653 405 1 4 . 1 1 27 27 GLU CA C 27 51.119 51.119 52.731 -1.612 25653 406 1 4 . 1 1 27 27 GLU CB C 27 28.919 28.919 30.408 -1.489 25653 407 1 4 . 1 1 27 27 GLU H H 27 7.227 7.227 8.026 -0.799 25653 408 1 4 . 1 1 28 28 PRO HA H 28 4.897 4.897 4.747 0.150 25653 409 1 4 . 1 1 28 28 PRO CA C 28 62.335 62.335 62.761 -0.426 25653 410 1 4 . 1 1 28 28 PRO CB C 28 32.209 32.209 32.479 -0.270 25653 411 1 4 . 1 1 29 29 ILE HA H 29 4.901 4.901 4.823 0.078 25653 412 1 4 . 1 1 29 29 ILE CA C 29 57.862 57.862 57.916 -0.054 25653 413 1 4 . 1 1 29 29 ILE CB C 29 42.462 42.462 41.107 1.355 25653 414 1 4 . 1 1 29 29 ILE H H 29 7.717 7.717 7.908 -0.191 25653 415 1 4 . 1 1 30 30 CYS HA H 30 5.485 5.485 5.191 0.294 25653 416 1 4 . 1 1 30 30 CYS CA C 30 54.566 54.566 58.500 -3.934 25653 417 1 4 . 1 1 30 30 CYS CB C 30 40.404 40.404 26.570 13.835 25653 418 1 4 . 1 1 30 30 CYS H H 30 8.439 8.439 8.457 -0.018 25653 419 1 4 . 1 1 31 31 GLY CA C 31 44.788 44.788 45.071 -0.283 25653 420 1 4 . 1 1 31 31 GLY H H 31 9.902 9.902 9.291 0.611 25653 421 1 5 . 1 1 3 3 CYS HA H 3 4.989 4.989 4.650 0.339 25653 422 1 5 . 1 1 3 3 CYS CA C 3 52.524 52.524 57.092 -4.568 25653 423 1 5 . 1 1 3 3 CYS CB C 3 43.609 43.609 29.181 14.428 25653 424 1 5 . 1 1 3 3 CYS H H 3 7.762 7.762 7.689 0.073 25653 425 1 5 . 1 1 4 4 ALA HA H 4 4.326 4.326 4.736 -0.410 25653 426 1 5 . 1 1 4 4 ALA CA C 4 50.194 50.194 51.226 -1.032 25653 427 1 5 . 1 1 4 4 ALA CB C 4 20.591 20.591 19.664 0.927 25653 428 1 5 . 1 1 4 4 ALA H H 4 9.027 9.027 8.844 0.183 25653 429 1 5 . 1 1 5 5 GLU HA H 5 4.026 4.026 4.457 -0.431 25653 430 1 5 . 1 1 5 5 GLU CA C 5 53.176 53.176 54.891 -1.715 25653 431 1 5 . 1 1 5 5 GLU CB C 5 29.310 29.310 30.803 -1.493 25653 432 1 5 . 1 1 5 5 GLU H H 5 7.583 7.583 9.246 -1.663 25653 433 1 5 . 1 1 6 6 GLU HA H 6 3.540 3.540 4.446 -0.906 25653 434 1 5 . 1 1 6 6 GLU CA C 6 56.986 56.986 56.384 0.602 25653 435 1 5 . 1 1 6 6 GLU CB C 6 28.177 28.177 28.671 -0.494 25653 436 1 5 . 1 1 6 6 GLU H H 6 8.031 8.031 8.532 -0.501 25653 437 1 5 . 1 1 7 7 GLY CA C 7 44.986 44.986 44.722 0.264 25653 438 1 5 . 1 1 7 7 GLY H H 7 8.854 8.854 8.540 0.314 25653 439 1 5 . 1 1 8 8 GLU HA H 8 4.465 4.465 4.750 -0.285 25653 440 1 5 . 1 1 8 8 GLU CA C 8 52.956 52.956 54.377 -1.421 25653 441 1 5 . 1 1 8 8 GLU CB C 8 29.773 29.773 32.791 -3.018 25653 442 1 5 . 1 1 8 8 GLU H H 8 7.819 7.819 7.725 0.094 25653 443 1 5 . 1 1 9 9 SER HA H 9 5.080 5.080 5.168 -0.088 25653 444 1 5 . 1 1 9 9 SER CA C 9 56.778 56.778 57.741 -0.963 25653 445 1 5 . 1 1 9 9 SER CB C 9 64.205 64.205 63.807 0.398 25653 446 1 5 . 1 1 9 9 SER H H 9 8.284 8.284 8.664 -0.380 25653 447 1 5 . 1 1 10 10 CYS HA H 10 5.468 5.468 5.427 0.041 25653 448 1 5 . 1 1 10 10 CYS CA C 10 53.695 53.695 56.725 -3.030 25653 449 1 5 . 1 1 10 10 CYS CB C 10 45.676 45.676 26.020 19.656 25653 450 1 5 . 1 1 10 10 CYS H H 10 7.377 7.377 8.329 -0.952 25653 451 1 5 . 1 1 11 11 GLU HA H 11 3.903 3.903 4.262 -0.359 25653 452 1 5 . 1 1 11 11 GLU CA C 11 57.575 57.575 58.043 -0.468 25653 453 1 5 . 1 1 11 11 GLU CB C 11 28.668 28.668 29.286 -0.618 25653 454 1 5 . 1 1 11 11 GLU H H 11 7.544 7.544 8.384 -0.840 25653 455 1 5 . 1 1 12 12 VAL HA H 12 3.893 3.893 4.165 -0.273 25653 456 1 5 . 1 1 12 12 VAL CA C 12 61.433 61.433 63.067 -1.634 25653 457 1 5 . 1 1 12 12 VAL CB C 12 32.771 32.771 33.932 -1.161 25653 458 1 5 . 1 1 12 12 VAL H H 12 7.536 7.536 7.727 -0.191 25653 459 1 5 . 1 1 13 13 TYR HA H 13 4.603 4.603 5.054 -0.451 25653 460 1 5 . 1 1 13 13 TYR CA C 13 55.557 55.557 55.371 0.186 25653 461 1 5 . 1 1 13 13 TYR CB C 13 38.917 38.917 40.480 -1.563 25653 462 1 5 . 1 1 13 13 TYR H H 13 7.213 7.213 7.957 -0.744 25653 463 1 5 . 1 1 14 14 PRO HA H 14 4.541 4.541 4.553 -0.012 25653 464 1 5 . 1 1 14 14 PRO CA C 14 60.415 60.415 62.690 -2.275 25653 465 1 5 . 1 1 14 14 PRO CB C 14 31.595 31.595 33.150 -1.555 25653 466 1 5 . 1 1 15 15 CYS HA H 15 4.925 4.925 5.662 -0.737 25653 467 1 5 . 1 1 15 15 CYS CA C 15 54.229 54.229 58.806 -4.577 25653 468 1 5 . 1 1 15 15 CYS CB C 15 39.173 39.173 28.790 10.383 25653 469 1 5 . 1 1 15 15 CYS H H 15 8.986 8.986 8.568 0.418 25653 470 1 5 . 1 1 16 16 CYS HA H 16 4.423 4.423 4.586 -0.163 25653 471 1 5 . 1 1 16 16 CYS CA C 16 52.994 52.994 60.212 -7.218 25653 472 1 5 . 1 1 16 16 CYS CB C 16 40.662 40.662 28.394 12.268 25653 473 1 5 . 1 1 16 16 CYS H H 16 9.018 9.018 9.003 0.015 25653 474 1 5 . 1 1 17 17 ASP HA H 17 4.218 4.218 4.629 -0.411 25653 475 1 5 . 1 1 17 17 ASP CA C 17 51.378 51.378 55.300 -3.922 25653 476 1 5 . 1 1 17 17 ASP CB C 17 37.397 37.397 40.454 -3.057 25653 477 1 5 . 1 1 17 17 ASP H H 17 9.414 9.414 8.323 1.091 25653 478 1 5 . 1 1 18 18 GLY CA C 18 43.836 43.836 45.163 -1.327 25653 479 1 5 . 1 1 19 19 LEU HA H 19 4.130 4.130 4.540 -0.410 25653 480 1 5 . 1 1 19 19 LEU CA C 19 53.875 53.875 54.387 -0.512 25653 481 1 5 . 1 1 19 19 LEU CB C 19 41.530 41.530 43.130 -1.600 25653 482 1 5 . 1 1 19 19 LEU H H 19 6.878 6.878 7.730 -0.852 25653 483 1 5 . 1 1 20 20 ILE HA H 20 4.015 4.015 4.216 -0.201 25653 484 1 5 . 1 1 20 20 ILE CA C 20 57.950 57.950 60.234 -2.284 25653 485 1 5 . 1 1 20 20 ILE CB C 20 40.182 40.182 40.904 -0.722 25653 486 1 5 . 1 1 20 20 ILE H H 20 8.102 8.102 8.361 -0.259 25653 487 1 5 . 1 1 21 21 CYS HA H 21 4.735 4.735 4.955 -0.220 25653 488 1 5 . 1 1 21 21 CYS CA C 21 53.258 53.258 58.761 -5.503 25653 489 1 5 . 1 1 21 21 CYS CB C 21 38.612 38.612 25.461 13.151 25653 490 1 5 . 1 1 21 21 CYS H H 21 8.516 8.516 8.671 -0.155 25653 491 1 5 . 1 1 22 22 TYR HA H 22 4.404 4.404 4.649 -0.245 25653 492 1 5 . 1 1 22 22 TYR CA C 22 56.386 56.386 56.508 -0.122 25653 493 1 5 . 1 1 22 22 TYR CB C 22 39.225 39.225 39.161 0.063 25653 494 1 5 . 1 1 22 22 TYR H H 22 8.859 8.859 9.425 -0.566 25653 495 1 5 . 1 1 23 23 PRO HA H 23 4.510 4.510 4.506 0.004 25653 496 1 5 . 1 1 23 23 PRO CA C 23 61.466 61.466 62.849 -1.383 25653 497 1 5 . 1 1 23 23 PRO CB C 23 27.705 27.705 30.233 -2.527 25653 498 1 5 . 1 1 24 24 THR HA H 24 4.994 4.994 4.526 0.468 25653 499 1 5 . 1 1 24 24 THR CA C 24 60.198 60.198 61.072 -0.874 25653 500 1 5 . 1 1 24 24 THR CB C 24 68.850 68.850 70.869 -2.019 25653 501 1 5 . 1 1 24 24 THR H H 24 7.959 7.959 8.172 -0.213 25653 502 1 5 . 1 1 25 25 PHE HA H 25 4.594 4.594 4.915 -0.321 25653 503 1 5 . 1 1 25 25 PHE CA C 25 53.270 53.270 55.083 -1.813 25653 504 1 5 . 1 1 25 25 PHE CB C 25 41.647 41.647 40.143 1.504 25653 505 1 5 . 1 1 25 25 PHE H H 25 8.297 8.297 8.513 -0.216 25653 506 1 5 . 1 1 26 26 PRO HA H 26 3.626 3.626 4.378 -0.752 25653 507 1 5 . 1 1 26 26 PRO CA C 26 62.856 62.856 64.037 -1.181 25653 508 1 5 . 1 1 26 26 PRO CB C 26 33.648 33.648 31.875 1.773 25653 509 1 5 . 1 1 27 27 GLU HA H 27 4.744 4.744 4.401 0.343 25653 510 1 5 . 1 1 27 27 GLU CA C 27 51.119 51.119 52.928 -1.809 25653 511 1 5 . 1 1 27 27 GLU CB C 27 28.919 28.919 30.404 -1.486 25653 512 1 5 . 1 1 27 27 GLU H H 27 7.227 7.227 7.945 -0.718 25653 513 1 5 . 1 1 28 28 PRO HA H 28 4.897 4.897 4.671 0.226 25653 514 1 5 . 1 1 28 28 PRO CA C 28 62.335 62.335 62.650 -0.315 25653 515 1 5 . 1 1 28 28 PRO CB C 28 32.209 32.209 32.524 -0.315 25653 516 1 5 . 1 1 29 29 ILE HA H 29 4.901 4.901 4.893 0.008 25653 517 1 5 . 1 1 29 29 ILE CA C 29 57.862 57.862 57.830 0.032 25653 518 1 5 . 1 1 29 29 ILE CB C 29 42.462 42.462 41.136 1.326 25653 519 1 5 . 1 1 29 29 ILE H H 29 7.717 7.717 7.886 -0.169 25653 520 1 5 . 1 1 30 30 CYS HA H 30 5.485 5.485 5.192 0.293 25653 521 1 5 . 1 1 30 30 CYS CA C 30 54.566 54.566 58.485 -3.919 25653 522 1 5 . 1 1 30 30 CYS CB C 30 40.404 40.404 26.598 13.806 25653 523 1 5 . 1 1 30 30 CYS H H 30 8.439 8.439 8.485 -0.046 25653 524 1 5 . 1 1 31 31 GLY CA C 31 44.788 44.788 45.096 -0.308 25653 525 1 5 . 1 1 31 31 GLY H H 31 9.902 9.902 9.293 0.609 25653 526 1 6 . 1 1 3 3 CYS HA H 3 4.989 4.989 4.674 0.315 25653 527 1 6 . 1 1 3 3 CYS CA C 3 52.524 52.524 57.305 -4.781 25653 528 1 6 . 1 1 3 3 CYS CB C 3 43.609 43.609 28.856 14.753 25653 529 1 6 . 1 1 3 3 CYS H H 3 7.762 7.762 7.722 0.040 25653 530 1 6 . 1 1 4 4 ALA HA H 4 4.326 4.326 4.554 -0.228 25653 531 1 6 . 1 1 4 4 ALA CA C 4 50.194 50.194 51.510 -1.316 25653 532 1 6 . 1 1 4 4 ALA CB C 4 20.591 20.591 19.481 1.110 25653 533 1 6 . 1 1 4 4 ALA H H 4 9.027 9.027 8.776 0.251 25653 534 1 6 . 1 1 5 5 GLU HA H 5 4.026 4.026 4.377 -0.351 25653 535 1 6 . 1 1 5 5 GLU CA C 5 53.176 53.176 55.044 -1.867 25653 536 1 6 . 1 1 5 5 GLU CB C 5 29.310 29.310 30.587 -1.277 25653 537 1 6 . 1 1 5 5 GLU H H 5 7.583 7.583 8.663 -1.080 25653 538 1 6 . 1 1 6 6 GLU HA H 6 3.540 3.540 4.465 -0.925 25653 539 1 6 . 1 1 6 6 GLU CA C 6 56.986 56.986 56.304 0.682 25653 540 1 6 . 1 1 6 6 GLU CB C 6 28.177 28.177 28.984 -0.807 25653 541 1 6 . 1 1 6 6 GLU H H 6 8.031 8.031 8.515 -0.484 25653 542 1 6 . 1 1 7 7 GLY CA C 7 44.986 44.986 45.012 -0.026 25653 543 1 6 . 1 1 7 7 GLY H H 7 8.854 8.854 8.584 0.270 25653 544 1 6 . 1 1 8 8 GLU HA H 8 4.465 4.465 4.701 -0.236 25653 545 1 6 . 1 1 8 8 GLU CA C 8 52.956 52.956 54.371 -1.415 25653 546 1 6 . 1 1 8 8 GLU CB C 8 29.773 29.773 32.704 -2.931 25653 547 1 6 . 1 1 8 8 GLU H H 8 7.819 7.819 7.733 0.086 25653 548 1 6 . 1 1 9 9 SER HA H 9 5.080 5.080 5.152 -0.072 25653 549 1 6 . 1 1 9 9 SER CA C 9 56.778 56.778 57.905 -1.127 25653 550 1 6 . 1 1 9 9 SER CB C 9 64.205 64.205 63.768 0.437 25653 551 1 6 . 1 1 9 9 SER H H 9 8.284 8.284 8.587 -0.303 25653 552 1 6 . 1 1 10 10 CYS HA H 10 5.468 5.468 5.399 0.069 25653 553 1 6 . 1 1 10 10 CYS CA C 10 53.695 53.695 56.593 -2.898 25653 554 1 6 . 1 1 10 10 CYS CB C 10 45.676 45.676 26.185 19.491 25653 555 1 6 . 1 1 10 10 CYS H H 10 7.377 7.377 8.392 -1.015 25653 556 1 6 . 1 1 11 11 GLU HA H 11 3.903 3.903 4.198 -0.295 25653 557 1 6 . 1 1 11 11 GLU CA C 11 57.575 57.575 58.276 -0.701 25653 558 1 6 . 1 1 11 11 GLU CB C 11 28.668 28.668 29.048 -0.380 25653 559 1 6 . 1 1 11 11 GLU H H 11 7.544 7.544 8.476 -0.932 25653 560 1 6 . 1 1 12 12 VAL HA H 12 3.893 3.893 4.140 -0.247 25653 561 1 6 . 1 1 12 12 VAL CA C 12 61.433 61.433 62.898 -1.464 25653 562 1 6 . 1 1 12 12 VAL CB C 12 32.771 32.771 33.784 -1.013 25653 563 1 6 . 1 1 12 12 VAL H H 12 7.536 7.536 7.703 -0.167 25653 564 1 6 . 1 1 13 13 TYR HA H 13 4.603 4.603 5.024 -0.421 25653 565 1 6 . 1 1 13 13 TYR CA C 13 55.557 55.557 55.008 0.549 25653 566 1 6 . 1 1 13 13 TYR CB C 13 38.917 38.917 40.447 -1.530 25653 567 1 6 . 1 1 13 13 TYR H H 13 7.213 7.213 7.924 -0.711 25653 568 1 6 . 1 1 14 14 PRO HA H 14 4.541 4.541 4.594 -0.053 25653 569 1 6 . 1 1 14 14 PRO CA C 14 60.415 60.415 62.555 -2.140 25653 570 1 6 . 1 1 14 14 PRO CB C 14 31.595 31.595 33.117 -1.522 25653 571 1 6 . 1 1 15 15 CYS HA H 15 4.925 4.925 5.662 -0.737 25653 572 1 6 . 1 1 15 15 CYS CA C 15 54.229 54.229 58.833 -4.604 25653 573 1 6 . 1 1 15 15 CYS CB C 15 39.173 39.173 28.777 10.396 25653 574 1 6 . 1 1 15 15 CYS H H 15 8.986 8.986 8.566 0.420 25653 575 1 6 . 1 1 16 16 CYS HA H 16 4.423 4.423 4.594 -0.171 25653 576 1 6 . 1 1 16 16 CYS CA C 16 52.994 52.994 60.161 -7.167 25653 577 1 6 . 1 1 16 16 CYS CB C 16 40.662 40.662 28.411 12.251 25653 578 1 6 . 1 1 16 16 CYS H H 16 9.018 9.018 9.006 0.012 25653 579 1 6 . 1 1 17 17 ASP HA H 17 4.218 4.218 4.623 -0.405 25653 580 1 6 . 1 1 17 17 ASP CA C 17 51.378 51.378 55.355 -3.977 25653 581 1 6 . 1 1 17 17 ASP CB C 17 37.397 37.397 40.434 -3.037 25653 582 1 6 . 1 1 17 17 ASP H H 17 9.414 9.414 8.323 1.091 25653 583 1 6 . 1 1 18 18 GLY CA C 18 43.836 43.836 45.158 -1.323 25653 584 1 6 . 1 1 19 19 LEU HA H 19 4.130 4.130 4.544 -0.414 25653 585 1 6 . 1 1 19 19 LEU CA C 19 53.875 53.875 54.410 -0.535 25653 586 1 6 . 1 1 19 19 LEU CB C 19 41.530 41.530 43.128 -1.598 25653 587 1 6 . 1 1 19 19 LEU H H 19 6.878 6.878 7.718 -0.840 25653 588 1 6 . 1 1 20 20 ILE HA H 20 4.015 4.015 4.220 -0.205 25653 589 1 6 . 1 1 20 20 ILE CA C 20 57.950 57.950 60.189 -2.239 25653 590 1 6 . 1 1 20 20 ILE CB C 20 40.182 40.182 40.987 -0.805 25653 591 1 6 . 1 1 20 20 ILE H H 20 8.102 8.102 8.419 -0.317 25653 592 1 6 . 1 1 21 21 CYS HA H 21 4.735 4.735 4.930 -0.195 25653 593 1 6 . 1 1 21 21 CYS CA C 21 53.258 53.258 58.788 -5.530 25653 594 1 6 . 1 1 21 21 CYS CB C 21 38.612 38.612 25.420 13.192 25653 595 1 6 . 1 1 21 21 CYS H H 21 8.516 8.516 8.679 -0.163 25653 596 1 6 . 1 1 22 22 TYR HA H 22 4.404 4.404 4.650 -0.246 25653 597 1 6 . 1 1 22 22 TYR CA C 22 56.386 56.386 56.499 -0.113 25653 598 1 6 . 1 1 22 22 TYR CB C 22 39.225 39.225 39.146 0.079 25653 599 1 6 . 1 1 22 22 TYR H H 22 8.859 8.859 9.412 -0.553 25653 600 1 6 . 1 1 23 23 PRO HA H 23 4.510 4.510 4.442 0.068 25653 601 1 6 . 1 1 23 23 PRO CA C 23 61.466 61.466 62.803 -1.337 25653 602 1 6 . 1 1 23 23 PRO CB C 23 27.705 27.705 29.954 -2.249 25653 603 1 6 . 1 1 24 24 THR HA H 24 4.994 4.994 4.526 0.468 25653 604 1 6 . 1 1 24 24 THR CA C 24 60.198 60.198 61.063 -0.865 25653 605 1 6 . 1 1 24 24 THR CB C 24 68.850 68.850 70.871 -2.021 25653 606 1 6 . 1 1 24 24 THR H H 24 7.959 7.959 8.177 -0.218 25653 607 1 6 . 1 1 25 25 PHE HA H 25 4.594 4.594 4.919 -0.325 25653 608 1 6 . 1 1 25 25 PHE CA C 25 53.270 53.270 55.004 -1.734 25653 609 1 6 . 1 1 25 25 PHE CB C 25 41.647 41.647 40.248 1.399 25653 610 1 6 . 1 1 25 25 PHE H H 25 8.297 8.297 8.500 -0.203 25653 611 1 6 . 1 1 26 26 PRO HA H 26 3.626 3.626 4.365 -0.739 25653 612 1 6 . 1 1 26 26 PRO CA C 26 62.856 62.856 64.278 -1.422 25653 613 1 6 . 1 1 26 26 PRO CB C 26 33.648 33.648 31.817 1.831 25653 614 1 6 . 1 1 27 27 GLU HA H 27 4.744 4.744 4.485 0.259 25653 615 1 6 . 1 1 27 27 GLU CA C 27 51.119 51.119 52.697 -1.578 25653 616 1 6 . 1 1 27 27 GLU CB C 27 28.919 28.919 30.235 -1.316 25653 617 1 6 . 1 1 27 27 GLU H H 27 7.227 7.227 8.097 -0.870 25653 618 1 6 . 1 1 28 28 PRO HA H 28 4.897 4.897 4.739 0.159 25653 619 1 6 . 1 1 28 28 PRO CA C 28 62.335 62.335 62.834 -0.499 25653 620 1 6 . 1 1 28 28 PRO CB C 28 32.209 32.209 32.577 -0.368 25653 621 1 6 . 1 1 29 29 ILE HA H 29 4.901 4.901 4.859 0.042 25653 622 1 6 . 1 1 29 29 ILE CA C 29 57.862 57.862 57.851 0.011 25653 623 1 6 . 1 1 29 29 ILE CB C 29 42.462 42.462 41.104 1.358 25653 624 1 6 . 1 1 29 29 ILE H H 29 7.717 7.717 7.887 -0.170 25653 625 1 6 . 1 1 30 30 CYS HA H 30 5.485 5.485 5.183 0.302 25653 626 1 6 . 1 1 30 30 CYS CA C 30 54.566 54.566 58.533 -3.967 25653 627 1 6 . 1 1 30 30 CYS CB C 30 40.404 40.404 26.536 13.868 25653 628 1 6 . 1 1 30 30 CYS H H 30 8.439 8.439 8.446 -0.007 25653 629 1 6 . 1 1 31 31 GLY CA C 31 44.788 44.788 45.224 -0.436 25653 630 1 6 . 1 1 31 31 GLY H H 31 9.902 9.902 9.328 0.574 25653 631 1 7 . 1 1 3 3 CYS HA H 3 4.989 4.989 4.647 0.342 25653 632 1 7 . 1 1 3 3 CYS CA C 3 52.524 52.524 57.036 -4.512 25653 633 1 7 . 1 1 3 3 CYS CB C 3 43.609 43.609 29.100 14.509 25653 634 1 7 . 1 1 3 3 CYS H H 3 7.762 7.762 7.599 0.163 25653 635 1 7 . 1 1 4 4 ALA HA H 4 4.326 4.326 4.735 -0.409 25653 636 1 7 . 1 1 4 4 ALA CA C 4 50.194 50.194 51.237 -1.043 25653 637 1 7 . 1 1 4 4 ALA CB C 4 20.591 20.591 19.638 0.953 25653 638 1 7 . 1 1 4 4 ALA H H 4 9.027 9.027 8.826 0.201 25653 639 1 7 . 1 1 5 5 GLU HA H 5 4.026 4.026 4.448 -0.422 25653 640 1 7 . 1 1 5 5 GLU CA C 5 53.176 53.176 54.910 -1.734 25653 641 1 7 . 1 1 5 5 GLU CB C 5 29.310 29.310 30.771 -1.461 25653 642 1 7 . 1 1 5 5 GLU H H 5 7.583 7.583 9.247 -1.664 25653 643 1 7 . 1 1 6 6 GLU HA H 6 3.540 3.540 4.445 -0.905 25653 644 1 7 . 1 1 6 6 GLU CA C 6 56.986 56.986 56.382 0.604 25653 645 1 7 . 1 1 6 6 GLU CB C 6 28.177 28.177 28.688 -0.510 25653 646 1 7 . 1 1 6 6 GLU H H 6 8.031 8.031 8.529 -0.498 25653 647 1 7 . 1 1 7 7 GLY CA C 7 44.986 44.986 44.725 0.261 25653 648 1 7 . 1 1 7 7 GLY H H 7 8.854 8.854 8.556 0.298 25653 649 1 7 . 1 1 8 8 GLU HA H 8 4.465 4.465 4.735 -0.270 25653 650 1 7 . 1 1 8 8 GLU CA C 8 52.956 52.956 54.609 -1.653 25653 651 1 7 . 1 1 8 8 GLU CB C 8 29.773 29.773 32.794 -3.021 25653 652 1 7 . 1 1 8 8 GLU H H 8 7.819 7.819 7.752 0.067 25653 653 1 7 . 1 1 9 9 SER HA H 9 5.080 5.080 5.156 -0.076 25653 654 1 7 . 1 1 9 9 SER CA C 9 56.778 56.778 57.090 -0.312 25653 655 1 7 . 1 1 9 9 SER CB C 9 64.205 64.205 63.547 0.658 25653 656 1 7 . 1 1 9 9 SER H H 9 8.284 8.284 8.564 -0.280 25653 657 1 7 . 1 1 10 10 CYS HA H 10 5.468 5.468 5.336 0.132 25653 658 1 7 . 1 1 10 10 CYS CA C 10 53.695 53.695 56.650 -2.955 25653 659 1 7 . 1 1 10 10 CYS CB C 10 45.676 45.676 26.188 19.488 25653 660 1 7 . 1 1 10 10 CYS H H 10 7.377 7.377 8.221 -0.844 25653 661 1 7 . 1 1 11 11 GLU HA H 11 3.903 3.903 4.228 -0.325 25653 662 1 7 . 1 1 11 11 GLU CA C 11 57.575 57.575 57.975 -0.400 25653 663 1 7 . 1 1 11 11 GLU CB C 11 28.668 28.668 29.350 -0.682 25653 664 1 7 . 1 1 11 11 GLU H H 11 7.544 7.544 8.459 -0.915 25653 665 1 7 . 1 1 12 12 VAL HA H 12 3.893 3.893 4.139 -0.246 25653 666 1 7 . 1 1 12 12 VAL CA C 12 61.433 61.433 62.890 -1.457 25653 667 1 7 . 1 1 12 12 VAL CB C 12 32.771 32.771 33.987 -1.216 25653 668 1 7 . 1 1 12 12 VAL H H 12 7.536 7.536 7.701 -0.165 25653 669 1 7 . 1 1 13 13 TYR HA H 13 4.603 4.603 5.051 -0.448 25653 670 1 7 . 1 1 13 13 TYR CA C 13 55.557 55.557 54.986 0.571 25653 671 1 7 . 1 1 13 13 TYR CB C 13 38.917 38.917 40.267 -1.350 25653 672 1 7 . 1 1 13 13 TYR H H 13 7.213 7.213 7.985 -0.772 25653 673 1 7 . 1 1 14 14 PRO HA H 14 4.541 4.541 4.553 -0.012 25653 674 1 7 . 1 1 14 14 PRO CA C 14 60.415 60.415 62.651 -2.236 25653 675 1 7 . 1 1 14 14 PRO CB C 14 31.595 31.595 33.177 -1.582 25653 676 1 7 . 1 1 15 15 CYS HA H 15 4.925 4.925 5.695 -0.770 25653 677 1 7 . 1 1 15 15 CYS CA C 15 54.229 54.229 58.710 -4.481 25653 678 1 7 . 1 1 15 15 CYS CB C 15 39.173 39.173 28.894 10.279 25653 679 1 7 . 1 1 15 15 CYS H H 15 8.986 8.986 8.555 0.431 25653 680 1 7 . 1 1 16 16 CYS HA H 16 4.423 4.423 4.603 -0.180 25653 681 1 7 . 1 1 16 16 CYS CA C 16 52.994 52.994 60.453 -7.458 25653 682 1 7 . 1 1 16 16 CYS CB C 16 40.662 40.662 28.325 12.337 25653 683 1 7 . 1 1 16 16 CYS H H 16 9.018 9.018 9.099 -0.081 25653 684 1 7 . 1 1 17 17 ASP HA H 17 4.218 4.218 4.633 -0.415 25653 685 1 7 . 1 1 17 17 ASP CA C 17 51.378 51.378 54.955 -3.577 25653 686 1 7 . 1 1 17 17 ASP CB C 17 37.397 37.397 40.486 -3.088 25653 687 1 7 . 1 1 17 17 ASP H H 17 9.414 9.414 8.325 1.089 25653 688 1 7 . 1 1 18 18 GLY CA C 18 43.836 43.836 45.161 -1.325 25653 689 1 7 . 1 1 19 19 LEU HA H 19 4.130 4.130 4.546 -0.416 25653 690 1 7 . 1 1 19 19 LEU CA C 19 53.875 53.875 54.393 -0.518 25653 691 1 7 . 1 1 19 19 LEU CB C 19 41.530 41.530 43.132 -1.602 25653 692 1 7 . 1 1 19 19 LEU H H 19 6.878 6.878 7.721 -0.843 25653 693 1 7 . 1 1 20 20 ILE HA H 20 4.015 4.015 4.222 -0.207 25653 694 1 7 . 1 1 20 20 ILE CA C 20 57.950 57.950 60.178 -2.228 25653 695 1 7 . 1 1 20 20 ILE CB C 20 40.182 40.182 41.008 -0.826 25653 696 1 7 . 1 1 20 20 ILE H H 20 8.102 8.102 8.420 -0.318 25653 697 1 7 . 1 1 21 21 CYS HA H 21 4.735 4.735 4.949 -0.214 25653 698 1 7 . 1 1 21 21 CYS CA C 21 53.258 53.258 58.773 -5.516 25653 699 1 7 . 1 1 21 21 CYS CB C 21 38.612 38.612 25.430 13.182 25653 700 1 7 . 1 1 21 21 CYS H H 21 8.516 8.516 8.678 -0.162 25653 701 1 7 . 1 1 22 22 TYR HA H 22 4.404 4.404 4.644 -0.240 25653 702 1 7 . 1 1 22 22 TYR CA C 22 56.386 56.386 56.529 -0.143 25653 703 1 7 . 1 1 22 22 TYR CB C 22 39.225 39.225 39.134 0.091 25653 704 1 7 . 1 1 22 22 TYR H H 22 8.859 8.859 9.418 -0.559 25653 705 1 7 . 1 1 23 23 PRO HA H 23 4.510 4.510 4.492 0.018 25653 706 1 7 . 1 1 23 23 PRO CA C 23 61.466 61.466 63.035 -1.569 25653 707 1 7 . 1 1 23 23 PRO CB C 23 27.705 27.705 29.955 -2.250 25653 708 1 7 . 1 1 24 24 THR HA H 24 4.994 4.994 4.555 0.439 25653 709 1 7 . 1 1 24 24 THR CA C 24 60.198 60.198 60.956 -0.758 25653 710 1 7 . 1 1 24 24 THR CB C 24 68.850 68.850 70.860 -2.010 25653 711 1 7 . 1 1 24 24 THR H H 24 7.959 7.959 8.067 -0.108 25653 712 1 7 . 1 1 25 25 PHE HA H 25 4.594 4.594 4.914 -0.320 25653 713 1 7 . 1 1 25 25 PHE CA C 25 53.270 53.270 55.048 -1.778 25653 714 1 7 . 1 1 25 25 PHE CB C 25 41.647 41.647 40.085 1.562 25653 715 1 7 . 1 1 25 25 PHE H H 25 8.297 8.297 8.602 -0.305 25653 716 1 7 . 1 1 26 26 PRO HA H 26 3.626 3.626 4.381 -0.755 25653 717 1 7 . 1 1 26 26 PRO CA C 26 62.856 62.856 64.023 -1.167 25653 718 1 7 . 1 1 26 26 PRO CB C 26 33.648 33.648 31.877 1.771 25653 719 1 7 . 1 1 27 27 GLU HA H 27 4.744 4.744 4.401 0.343 25653 720 1 7 . 1 1 27 27 GLU CA C 27 51.119 51.119 52.942 -1.823 25653 721 1 7 . 1 1 27 27 GLU CB C 27 28.919 28.919 30.441 -1.522 25653 722 1 7 . 1 1 27 27 GLU H H 27 7.227 7.227 7.939 -0.712 25653 723 1 7 . 1 1 28 28 PRO HA H 28 4.897 4.897 4.684 0.213 25653 724 1 7 . 1 1 28 28 PRO CA C 28 62.335 62.335 62.637 -0.302 25653 725 1 7 . 1 1 28 28 PRO CB C 28 32.209 32.209 32.549 -0.340 25653 726 1 7 . 1 1 29 29 ILE HA H 29 4.901 4.901 4.919 -0.018 25653 727 1 7 . 1 1 29 29 ILE CA C 29 57.862 57.862 57.850 0.012 25653 728 1 7 . 1 1 29 29 ILE CB C 29 42.462 42.462 41.275 1.187 25653 729 1 7 . 1 1 29 29 ILE H H 29 7.717 7.717 7.883 -0.166 25653 730 1 7 . 1 1 30 30 CYS HA H 30 5.485 5.485 5.178 0.307 25653 731 1 7 . 1 1 30 30 CYS CA C 30 54.566 54.566 58.522 -3.956 25653 732 1 7 . 1 1 30 30 CYS CB C 30 40.404 40.404 26.551 13.853 25653 733 1 7 . 1 1 30 30 CYS H H 30 8.439 8.439 8.459 -0.020 25653 734 1 7 . 1 1 31 31 GLY CA C 31 44.788 44.788 45.063 -0.275 25653 735 1 7 . 1 1 31 31 GLY H H 31 9.902 9.902 9.290 0.612 25653 736 1 8 . 1 1 3 3 CYS HA H 3 4.989 4.989 4.648 0.341 25653 737 1 8 . 1 1 3 3 CYS CA C 3 52.524 52.524 57.144 -4.620 25653 738 1 8 . 1 1 3 3 CYS CB C 3 43.609 43.609 29.086 14.523 25653 739 1 8 . 1 1 3 3 CYS H H 3 7.762 7.762 7.686 0.076 25653 740 1 8 . 1 1 4 4 ALA HA H 4 4.326 4.326 4.552 -0.226 25653 741 1 8 . 1 1 4 4 ALA CA C 4 50.194 50.194 51.512 -1.318 25653 742 1 8 . 1 1 4 4 ALA CB C 4 20.591 20.591 19.469 1.122 25653 743 1 8 . 1 1 4 4 ALA H H 4 9.027 9.027 8.809 0.218 25653 744 1 8 . 1 1 5 5 GLU HA H 5 4.026 4.026 4.400 -0.374 25653 745 1 8 . 1 1 5 5 GLU CA C 5 53.176 53.176 55.110 -1.934 25653 746 1 8 . 1 1 5 5 GLU CB C 5 29.310 29.310 30.687 -1.377 25653 747 1 8 . 1 1 5 5 GLU H H 5 7.583 7.583 8.660 -1.077 25653 748 1 8 . 1 1 6 6 GLU HA H 6 3.540 3.540 4.470 -0.930 25653 749 1 8 . 1 1 6 6 GLU CA C 6 56.986 56.986 56.261 0.725 25653 750 1 8 . 1 1 6 6 GLU CB C 6 28.177 28.177 28.952 -0.775 25653 751 1 8 . 1 1 6 6 GLU H H 6 8.031 8.031 8.501 -0.470 25653 752 1 8 . 1 1 7 7 GLY CA C 7 44.986 44.986 45.007 -0.021 25653 753 1 8 . 1 1 7 7 GLY H H 7 8.854 8.854 8.569 0.285 25653 754 1 8 . 1 1 8 8 GLU HA H 8 4.465 4.465 4.794 -0.329 25653 755 1 8 . 1 1 8 8 GLU CA C 8 52.956 52.956 54.219 -1.263 25653 756 1 8 . 1 1 8 8 GLU CB C 8 29.773 29.773 32.915 -3.142 25653 757 1 8 . 1 1 8 8 GLU H H 8 7.819 7.819 7.620 0.199 25653 758 1 8 . 1 1 9 9 SER HA H 9 5.080 5.080 5.077 0.003 25653 759 1 8 . 1 1 9 9 SER CA C 9 56.778 56.778 57.394 -0.616 25653 760 1 8 . 1 1 9 9 SER CB C 9 64.205 64.205 63.310 0.895 25653 761 1 8 . 1 1 9 9 SER H H 9 8.284 8.284 8.557 -0.273 25653 762 1 8 . 1 1 10 10 CYS HA H 10 5.468 5.468 5.376 0.092 25653 763 1 8 . 1 1 10 10 CYS CA C 10 53.695 53.695 56.691 -2.996 25653 764 1 8 . 1 1 10 10 CYS CB C 10 45.676 45.676 26.289 19.387 25653 765 1 8 . 1 1 10 10 CYS H H 10 7.377 7.377 8.230 -0.853 25653 766 1 8 . 1 1 11 11 GLU HA H 11 3.903 3.903 4.200 -0.297 25653 767 1 8 . 1 1 11 11 GLU CA C 11 57.575 57.575 58.286 -0.711 25653 768 1 8 . 1 1 11 11 GLU CB C 11 28.668 28.668 29.050 -0.383 25653 769 1 8 . 1 1 11 11 GLU H H 11 7.544 7.544 8.481 -0.937 25653 770 1 8 . 1 1 12 12 VAL HA H 12 3.893 3.893 4.151 -0.258 25653 771 1 8 . 1 1 12 12 VAL CA C 12 61.433 61.433 62.920 -1.487 25653 772 1 8 . 1 1 12 12 VAL CB C 12 32.771 32.771 33.825 -1.054 25653 773 1 8 . 1 1 12 12 VAL H H 12 7.536 7.536 7.703 -0.167 25653 774 1 8 . 1 1 13 13 TYR HA H 13 4.603 4.603 5.037 -0.434 25653 775 1 8 . 1 1 13 13 TYR CA C 13 55.557 55.557 55.016 0.541 25653 776 1 8 . 1 1 13 13 TYR CB C 13 38.917 38.917 40.434 -1.517 25653 777 1 8 . 1 1 13 13 TYR H H 13 7.213 7.213 7.938 -0.725 25653 778 1 8 . 1 1 14 14 PRO HA H 14 4.541 4.541 4.542 -0.001 25653 779 1 8 . 1 1 14 14 PRO CA C 14 60.415 60.415 62.702 -2.287 25653 780 1 8 . 1 1 14 14 PRO CB C 14 31.595 31.595 33.158 -1.563 25653 781 1 8 . 1 1 15 15 CYS HA H 15 4.925 4.925 5.661 -0.736 25653 782 1 8 . 1 1 15 15 CYS CA C 15 54.229 54.229 58.839 -4.610 25653 783 1 8 . 1 1 15 15 CYS CB C 15 39.173 39.173 28.791 10.382 25653 784 1 8 . 1 1 15 15 CYS H H 15 8.986 8.986 8.565 0.421 25653 785 1 8 . 1 1 16 16 CYS HA H 16 4.423 4.423 4.568 -0.145 25653 786 1 8 . 1 1 16 16 CYS CA C 16 52.994 52.994 60.500 -7.506 25653 787 1 8 . 1 1 16 16 CYS CB C 16 40.662 40.662 28.400 12.262 25653 788 1 8 . 1 1 16 16 CYS H H 16 9.018 9.018 9.071 -0.053 25653 789 1 8 . 1 1 17 17 ASP HA H 17 4.218 4.218 4.579 -0.361 25653 790 1 8 . 1 1 17 17 ASP CA C 17 51.378 51.378 54.221 -2.843 25653 791 1 8 . 1 1 17 17 ASP CB C 17 37.397 37.397 40.203 -2.806 25653 792 1 8 . 1 1 17 17 ASP H H 17 9.414 9.414 8.219 1.195 25653 793 1 8 . 1 1 18 18 GLY CA C 18 43.836 43.836 45.134 -1.298 25653 794 1 8 . 1 1 19 19 LEU HA H 19 4.130 4.130 4.352 -0.222 25653 795 1 8 . 1 1 19 19 LEU CA C 19 53.875 53.875 54.697 -0.822 25653 796 1 8 . 1 1 19 19 LEU CB C 19 41.530 41.530 42.983 -1.453 25653 797 1 8 . 1 1 19 19 LEU H H 19 6.878 6.878 7.723 -0.845 25653 798 1 8 . 1 1 20 20 ILE HA H 20 4.015 4.015 4.218 -0.203 25653 799 1 8 . 1 1 20 20 ILE CA C 20 57.950 57.950 60.206 -2.256 25653 800 1 8 . 1 1 20 20 ILE CB C 20 40.182 40.182 40.931 -0.750 25653 801 1 8 . 1 1 20 20 ILE H H 20 8.102 8.102 8.407 -0.305 25653 802 1 8 . 1 1 21 21 CYS HA H 21 4.735 4.735 4.947 -0.212 25653 803 1 8 . 1 1 21 21 CYS CA C 21 53.258 53.258 58.765 -5.507 25653 804 1 8 . 1 1 21 21 CYS CB C 21 38.612 38.612 25.424 13.188 25653 805 1 8 . 1 1 21 21 CYS H H 21 8.516 8.516 8.684 -0.168 25653 806 1 8 . 1 1 22 22 TYR HA H 22 4.404 4.404 4.639 -0.235 25653 807 1 8 . 1 1 22 22 TYR CA C 22 56.386 56.386 56.548 -0.162 25653 808 1 8 . 1 1 22 22 TYR CB C 22 39.225 39.225 39.127 0.098 25653 809 1 8 . 1 1 22 22 TYR H H 22 8.859 8.859 9.414 -0.555 25653 810 1 8 . 1 1 23 23 PRO HA H 23 4.510 4.510 4.421 0.089 25653 811 1 8 . 1 1 23 23 PRO CA C 23 61.466 61.466 62.811 -1.345 25653 812 1 8 . 1 1 23 23 PRO CB C 23 27.705 27.705 29.855 -2.150 25653 813 1 8 . 1 1 24 24 THR HA H 24 4.994 4.994 4.584 0.410 25653 814 1 8 . 1 1 24 24 THR CA C 24 60.198 60.198 61.227 -1.029 25653 815 1 8 . 1 1 24 24 THR CB C 24 68.850 68.850 70.929 -2.079 25653 816 1 8 . 1 1 24 24 THR H H 24 7.959 7.959 8.067 -0.108 25653 817 1 8 . 1 1 25 25 PHE HA H 25 4.594 4.594 4.868 -0.274 25653 818 1 8 . 1 1 25 25 PHE CA C 25 53.270 53.270 55.138 -1.868 25653 819 1 8 . 1 1 25 25 PHE CB C 25 41.647 41.647 40.088 1.559 25653 820 1 8 . 1 1 25 25 PHE H H 25 8.297 8.297 8.506 -0.209 25653 821 1 8 . 1 1 26 26 PRO HA H 26 3.626 3.626 4.376 -0.750 25653 822 1 8 . 1 1 26 26 PRO CA C 26 62.856 62.856 64.036 -1.180 25653 823 1 8 . 1 1 26 26 PRO CB C 26 33.648 33.648 31.875 1.773 25653 824 1 8 . 1 1 27 27 GLU HA H 27 4.744 4.744 4.469 0.275 25653 825 1 8 . 1 1 27 27 GLU CA C 27 51.119 51.119 52.737 -1.618 25653 826 1 8 . 1 1 27 27 GLU CB C 27 28.919 28.919 30.475 -1.556 25653 827 1 8 . 1 1 27 27 GLU H H 27 7.227 7.227 8.036 -0.809 25653 828 1 8 . 1 1 28 28 PRO HA H 28 4.897 4.897 4.725 0.172 25653 829 1 8 . 1 1 28 28 PRO CA C 28 62.335 62.335 62.763 -0.428 25653 830 1 8 . 1 1 28 28 PRO CB C 28 32.209 32.209 32.562 -0.353 25653 831 1 8 . 1 1 29 29 ILE HA H 29 4.901 4.901 4.839 0.062 25653 832 1 8 . 1 1 29 29 ILE CA C 29 57.862 57.862 57.865 -0.004 25653 833 1 8 . 1 1 29 29 ILE CB C 29 42.462 42.462 41.133 1.329 25653 834 1 8 . 1 1 29 29 ILE H H 29 7.717 7.717 7.888 -0.171 25653 835 1 8 . 1 1 30 30 CYS HA H 30 5.485 5.485 5.169 0.316 25653 836 1 8 . 1 1 30 30 CYS CA C 30 54.566 54.566 58.522 -3.956 25653 837 1 8 . 1 1 30 30 CYS CB C 30 40.404 40.404 26.552 13.852 25653 838 1 8 . 1 1 30 30 CYS H H 30 8.439 8.439 8.466 -0.027 25653 839 1 8 . 1 1 31 31 GLY CA C 31 44.788 44.788 45.301 -0.513 25653 840 1 8 . 1 1 31 31 GLY H H 31 9.902 9.902 9.246 0.656 25653 841 1 9 . 1 1 3 3 CYS HA H 3 4.989 4.989 4.644 0.345 25653 842 1 9 . 1 1 3 3 CYS CA C 3 52.524 52.524 57.081 -4.556 25653 843 1 9 . 1 1 3 3 CYS CB C 3 43.609 43.609 29.058 14.551 25653 844 1 9 . 1 1 3 3 CYS H H 3 7.762 7.762 7.607 0.155 25653 845 1 9 . 1 1 4 4 ALA HA H 4 4.326 4.326 4.552 -0.226 25653 846 1 9 . 1 1 4 4 ALA CA C 4 50.194 50.194 51.526 -1.332 25653 847 1 9 . 1 1 4 4 ALA CB C 4 20.591 20.591 19.532 1.059 25653 848 1 9 . 1 1 4 4 ALA H H 4 9.027 9.027 8.772 0.255 25653 849 1 9 . 1 1 5 5 GLU HA H 5 4.026 4.026 4.364 -0.338 25653 850 1 9 . 1 1 5 5 GLU CA C 5 53.176 53.176 55.044 -1.868 25653 851 1 9 . 1 1 5 5 GLU CB C 5 29.310 29.310 30.604 -1.294 25653 852 1 9 . 1 1 5 5 GLU H H 5 7.583 7.583 8.779 -1.196 25653 853 1 9 . 1 1 6 6 GLU HA H 6 3.540 3.540 4.452 -0.912 25653 854 1 9 . 1 1 6 6 GLU CA C 6 56.986 56.986 56.188 0.798 25653 855 1 9 . 1 1 6 6 GLU CB C 6 28.177 28.177 29.019 -0.842 25653 856 1 9 . 1 1 6 6 GLU H H 6 8.031 8.031 8.529 -0.498 25653 857 1 9 . 1 1 7 7 GLY CA C 7 44.986 44.986 45.013 -0.027 25653 858 1 9 . 1 1 7 7 GLY H H 7 8.854 8.854 8.582 0.272 25653 859 1 9 . 1 1 8 8 GLU HA H 8 4.465 4.465 4.798 -0.333 25653 860 1 9 . 1 1 8 8 GLU CA C 8 52.956 52.956 54.294 -1.338 25653 861 1 9 . 1 1 8 8 GLU CB C 8 29.773 29.773 33.242 -3.469 25653 862 1 9 . 1 1 8 8 GLU H H 8 7.819 7.819 7.631 0.188 25653 863 1 9 . 1 1 9 9 SER HA H 9 5.080 5.080 5.079 0.001 25653 864 1 9 . 1 1 9 9 SER CA C 9 56.778 56.778 57.772 -0.994 25653 865 1 9 . 1 1 9 9 SER CB C 9 64.205 64.205 63.462 0.743 25653 866 1 9 . 1 1 9 9 SER H H 9 8.284 8.284 8.550 -0.266 25653 867 1 9 . 1 1 10 10 CYS HA H 10 5.468 5.468 5.363 0.105 25653 868 1 9 . 1 1 10 10 CYS CA C 10 53.695 53.695 56.714 -3.019 25653 869 1 9 . 1 1 10 10 CYS CB C 10 45.676 45.676 26.232 19.444 25653 870 1 9 . 1 1 10 10 CYS H H 10 7.377 7.377 8.266 -0.889 25653 871 1 9 . 1 1 11 11 GLU HA H 11 3.903 3.903 4.200 -0.297 25653 872 1 9 . 1 1 11 11 GLU CA C 11 57.575 57.575 58.288 -0.713 25653 873 1 9 . 1 1 11 11 GLU CB C 11 28.668 28.668 29.052 -0.384 25653 874 1 9 . 1 1 11 11 GLU H H 11 7.544 7.544 8.484 -0.940 25653 875 1 9 . 1 1 12 12 VAL HA H 12 3.893 3.893 4.145 -0.252 25653 876 1 9 . 1 1 12 12 VAL CA C 12 61.433 61.433 62.910 -1.477 25653 877 1 9 . 1 1 12 12 VAL CB C 12 32.771 32.771 33.809 -1.038 25653 878 1 9 . 1 1 12 12 VAL H H 12 7.536 7.536 7.705 -0.169 25653 879 1 9 . 1 1 13 13 TYR HA H 13 4.603 4.603 5.031 -0.428 25653 880 1 9 . 1 1 13 13 TYR CA C 13 55.557 55.557 55.011 0.545 25653 881 1 9 . 1 1 13 13 TYR CB C 13 38.917 38.917 40.459 -1.542 25653 882 1 9 . 1 1 13 13 TYR H H 13 7.213 7.213 7.932 -0.719 25653 883 1 9 . 1 1 14 14 PRO HA H 14 4.541 4.541 4.592 -0.051 25653 884 1 9 . 1 1 14 14 PRO CA C 14 60.415 60.415 62.561 -2.146 25653 885 1 9 . 1 1 14 14 PRO CB C 14 31.595 31.595 33.107 -1.512 25653 886 1 9 . 1 1 15 15 CYS HA H 15 4.925 4.925 5.651 -0.726 25653 887 1 9 . 1 1 15 15 CYS CA C 15 54.229 54.229 58.847 -4.618 25653 888 1 9 . 1 1 15 15 CYS CB C 15 39.173 39.173 28.776 10.397 25653 889 1 9 . 1 1 15 15 CYS H H 15 8.986 8.986 8.565 0.421 25653 890 1 9 . 1 1 16 16 CYS HA H 16 4.423 4.423 4.564 -0.141 25653 891 1 9 . 1 1 16 16 CYS CA C 16 52.994 52.994 60.555 -7.561 25653 892 1 9 . 1 1 16 16 CYS CB C 16 40.662 40.662 28.224 12.438 25653 893 1 9 . 1 1 16 16 CYS H H 16 9.018 9.018 9.019 -0.001 25653 894 1 9 . 1 1 17 17 ASP HA H 17 4.218 4.218 4.610 -0.392 25653 895 1 9 . 1 1 17 17 ASP CA C 17 51.378 51.378 54.550 -3.171 25653 896 1 9 . 1 1 17 17 ASP CB C 17 37.397 37.397 40.686 -3.289 25653 897 1 9 . 1 1 17 17 ASP H H 17 9.414 9.414 8.197 1.217 25653 898 1 9 . 1 1 18 18 GLY CA C 18 43.836 43.836 45.233 -1.397 25653 899 1 9 . 1 1 19 19 LEU HA H 19 4.130 4.130 4.350 -0.220 25653 900 1 9 . 1 1 19 19 LEU CA C 19 53.875 53.875 54.676 -0.801 25653 901 1 9 . 1 1 19 19 LEU CB C 19 41.530 41.530 42.782 -1.252 25653 902 1 9 . 1 1 19 19 LEU H H 19 6.878 6.878 7.746 -0.868 25653 903 1 9 . 1 1 20 20 ILE HA H 20 4.015 4.015 4.220 -0.205 25653 904 1 9 . 1 1 20 20 ILE CA C 20 57.950 57.950 60.201 -2.251 25653 905 1 9 . 1 1 20 20 ILE CB C 20 40.182 40.182 40.970 -0.788 25653 906 1 9 . 1 1 20 20 ILE H H 20 8.102 8.102 8.413 -0.311 25653 907 1 9 . 1 1 21 21 CYS HA H 21 4.735 4.735 4.954 -0.219 25653 908 1 9 . 1 1 21 21 CYS CA C 21 53.258 53.258 58.766 -5.508 25653 909 1 9 . 1 1 21 21 CYS CB C 21 38.612 38.612 25.437 13.175 25653 910 1 9 . 1 1 21 21 CYS H H 21 8.516 8.516 8.678 -0.162 25653 911 1 9 . 1 1 22 22 TYR HA H 22 4.404 4.404 4.645 -0.241 25653 912 1 9 . 1 1 22 22 TYR CA C 22 56.386 56.386 56.526 -0.140 25653 913 1 9 . 1 1 22 22 TYR CB C 22 39.225 39.225 39.142 0.083 25653 914 1 9 . 1 1 22 22 TYR H H 22 8.859 8.859 9.417 -0.558 25653 915 1 9 . 1 1 23 23 PRO HA H 23 4.510 4.510 4.430 0.080 25653 916 1 9 . 1 1 23 23 PRO CA C 23 61.466 61.466 62.998 -1.532 25653 917 1 9 . 1 1 23 23 PRO CB C 23 27.705 27.705 29.541 -1.836 25653 918 1 9 . 1 1 24 24 THR HA H 24 4.994 4.994 4.560 0.434 25653 919 1 9 . 1 1 24 24 THR CA C 24 60.198 60.198 60.919 -0.721 25653 920 1 9 . 1 1 24 24 THR CB C 24 68.850 68.850 70.896 -2.046 25653 921 1 9 . 1 1 24 24 THR H H 24 7.959 7.959 8.071 -0.112 25653 922 1 9 . 1 1 25 25 PHE HA H 25 4.594 4.594 4.912 -0.318 25653 923 1 9 . 1 1 25 25 PHE CA C 25 53.270 53.270 55.042 -1.772 25653 924 1 9 . 1 1 25 25 PHE CB C 25 41.647 41.647 40.088 1.559 25653 925 1 9 . 1 1 25 25 PHE H H 25 8.297 8.297 8.600 -0.303 25653 926 1 9 . 1 1 26 26 PRO HA H 26 3.626 3.626 4.378 -0.752 25653 927 1 9 . 1 1 26 26 PRO CA C 26 62.856 62.856 64.039 -1.183 25653 928 1 9 . 1 1 26 26 PRO CB C 26 33.648 33.648 31.874 1.774 25653 929 1 9 . 1 1 27 27 GLU HA H 27 4.744 4.744 4.492 0.252 25653 930 1 9 . 1 1 27 27 GLU CA C 27 51.119 51.119 52.727 -1.608 25653 931 1 9 . 1 1 27 27 GLU CB C 27 28.919 28.919 30.431 -1.512 25653 932 1 9 . 1 1 27 27 GLU H H 27 7.227 7.227 8.023 -0.796 25653 933 1 9 . 1 1 28 28 PRO HA H 28 4.897 4.897 4.741 0.156 25653 934 1 9 . 1 1 28 28 PRO CA C 28 62.335 62.335 62.803 -0.468 25653 935 1 9 . 1 1 28 28 PRO CB C 28 32.209 32.209 32.535 -0.326 25653 936 1 9 . 1 1 29 29 ILE HA H 29 4.901 4.901 4.837 0.064 25653 937 1 9 . 1 1 29 29 ILE CA C 29 57.862 57.862 57.866 -0.004 25653 938 1 9 . 1 1 29 29 ILE CB C 29 42.462 42.462 41.139 1.323 25653 939 1 9 . 1 1 29 29 ILE H H 29 7.717 7.717 7.887 -0.170 25653 940 1 9 . 1 1 30 30 CYS HA H 30 5.485 5.485 5.191 0.294 25653 941 1 9 . 1 1 30 30 CYS CA C 30 54.566 54.566 58.495 -3.929 25653 942 1 9 . 1 1 30 30 CYS CB C 30 40.404 40.404 26.583 13.821 25653 943 1 9 . 1 1 30 30 CYS H H 30 8.439 8.439 8.460 -0.021 25653 944 1 9 . 1 1 31 31 GLY CA C 31 44.788 44.788 45.236 -0.448 25653 945 1 9 . 1 1 31 31 GLY H H 31 9.902 9.902 9.327 0.575 25653 946 1 10 . 1 1 3 3 CYS HA H 3 4.989 4.989 4.658 0.331 25653 947 1 10 . 1 1 3 3 CYS CA C 3 52.524 52.524 57.034 -4.510 25653 948 1 10 . 1 1 3 3 CYS CB C 3 43.609 43.609 29.067 14.542 25653 949 1 10 . 1 1 3 3 CYS H H 3 7.762 7.762 7.606 0.156 25653 950 1 10 . 1 1 4 4 ALA HA H 4 4.326 4.326 4.552 -0.226 25653 951 1 10 . 1 1 4 4 ALA CA C 4 50.194 50.194 51.530 -1.336 25653 952 1 10 . 1 1 4 4 ALA CB C 4 20.591 20.591 19.525 1.066 25653 953 1 10 . 1 1 4 4 ALA H H 4 9.027 9.027 8.754 0.273 25653 954 1 10 . 1 1 5 5 GLU HA H 5 4.026 4.026 4.385 -0.359 25653 955 1 10 . 1 1 5 5 GLU CA C 5 53.176 53.176 55.005 -1.829 25653 956 1 10 . 1 1 5 5 GLU CB C 5 29.310 29.310 30.622 -1.312 25653 957 1 10 . 1 1 5 5 GLU H H 5 7.583 7.583 8.682 -1.099 25653 958 1 10 . 1 1 6 6 GLU HA H 6 3.540 3.540 4.459 -0.919 25653 959 1 10 . 1 1 6 6 GLU CA C 6 56.986 56.986 56.323 0.663 25653 960 1 10 . 1 1 6 6 GLU CB C 6 28.177 28.177 28.991 -0.814 25653 961 1 10 . 1 1 6 6 GLU H H 6 8.031 8.031 8.520 -0.489 25653 962 1 10 . 1 1 7 7 GLY CA C 7 44.986 44.986 45.018 -0.032 25653 963 1 10 . 1 1 7 7 GLY H H 7 8.854 8.854 8.596 0.258 25653 964 1 10 . 1 1 8 8 GLU HA H 8 4.465 4.465 4.706 -0.241 25653 965 1 10 . 1 1 8 8 GLU CA C 8 52.956 52.956 54.387 -1.431 25653 966 1 10 . 1 1 8 8 GLU CB C 8 29.773 29.773 32.794 -3.021 25653 967 1 10 . 1 1 8 8 GLU H H 8 7.819 7.819 7.736 0.083 25653 968 1 10 . 1 1 9 9 SER HA H 9 5.080 5.080 5.149 -0.069 25653 969 1 10 . 1 1 9 9 SER CA C 9 56.778 56.778 57.855 -1.077 25653 970 1 10 . 1 1 9 9 SER CB C 9 64.205 64.205 63.877 0.328 25653 971 1 10 . 1 1 9 9 SER H H 9 8.284 8.284 8.572 -0.288 25653 972 1 10 . 1 1 10 10 CYS HA H 10 5.468 5.468 5.321 0.147 25653 973 1 10 . 1 1 10 10 CYS CA C 10 53.695 53.695 56.533 -2.838 25653 974 1 10 . 1 1 10 10 CYS CB C 10 45.676 45.676 26.348 19.328 25653 975 1 10 . 1 1 10 10 CYS H H 10 7.377 7.377 8.368 -0.991 25653 976 1 10 . 1 1 11 11 GLU HA H 11 3.903 3.903 4.212 -0.309 25653 977 1 10 . 1 1 11 11 GLU CA C 11 57.575 57.575 58.223 -0.648 25653 978 1 10 . 1 1 11 11 GLU CB C 11 28.668 28.668 29.434 -0.766 25653 979 1 10 . 1 1 11 11 GLU H H 11 7.544 7.544 8.412 -0.868 25653 980 1 10 . 1 1 12 12 VAL HA H 12 3.893 3.893 4.121 -0.228 25653 981 1 10 . 1 1 12 12 VAL CA C 12 61.433 61.433 62.998 -1.565 25653 982 1 10 . 1 1 12 12 VAL CB C 12 32.771 32.771 33.532 -0.761 25653 983 1 10 . 1 1 12 12 VAL H H 12 7.536 7.536 7.759 -0.223 25653 984 1 10 . 1 1 13 13 TYR HA H 13 4.603 4.603 5.061 -0.458 25653 985 1 10 . 1 1 13 13 TYR CA C 13 55.557 55.557 55.147 0.410 25653 986 1 10 . 1 1 13 13 TYR CB C 13 38.917 38.917 40.385 -1.468 25653 987 1 10 . 1 1 13 13 TYR H H 13 7.213 7.213 8.001 -0.788 25653 988 1 10 . 1 1 14 14 PRO HA H 14 4.541 4.541 4.596 -0.055 25653 989 1 10 . 1 1 14 14 PRO CA C 14 60.415 60.415 62.532 -2.117 25653 990 1 10 . 1 1 14 14 PRO CB C 14 31.595 31.595 33.132 -1.537 25653 991 1 10 . 1 1 15 15 CYS HA H 15 4.925 4.925 5.696 -0.771 25653 992 1 10 . 1 1 15 15 CYS CA C 15 54.229 54.229 58.706 -4.477 25653 993 1 10 . 1 1 15 15 CYS CB C 15 39.173 39.173 28.928 10.245 25653 994 1 10 . 1 1 15 15 CYS H H 15 8.986 8.986 8.547 0.439 25653 995 1 10 . 1 1 16 16 CYS HA H 16 4.423 4.423 4.586 -0.163 25653 996 1 10 . 1 1 16 16 CYS CA C 16 52.994 52.994 60.134 -7.140 25653 997 1 10 . 1 1 16 16 CYS CB C 16 40.662 40.662 28.411 12.251 25653 998 1 10 . 1 1 16 16 CYS H H 16 9.018 9.018 8.998 0.020 25653 999 1 10 . 1 1 17 17 ASP HA H 17 4.218 4.218 4.618 -0.400 25653 1000 1 10 . 1 1 17 17 ASP CA C 17 51.378 51.378 55.375 -3.997 25653 1001 1 10 . 1 1 17 17 ASP CB C 17 37.397 37.397 40.429 -3.032 25653 1002 1 10 . 1 1 17 17 ASP H H 17 9.414 9.414 8.322 1.092 25653 1003 1 10 . 1 1 18 18 GLY CA C 18 43.836 43.836 45.150 -1.314 25653 1004 1 10 . 1 1 19 19 LEU HA H 19 4.130 4.130 4.551 -0.421 25653 1005 1 10 . 1 1 19 19 LEU CA C 19 53.875 53.875 54.416 -0.541 25653 1006 1 10 . 1 1 19 19 LEU CB C 19 41.530 41.530 43.136 -1.606 25653 1007 1 10 . 1 1 19 19 LEU H H 19 6.878 6.878 7.711 -0.833 25653 1008 1 10 . 1 1 20 20 ILE HA H 20 4.015 4.015 4.224 -0.209 25653 1009 1 10 . 1 1 20 20 ILE CA C 20 57.950 57.950 60.155 -2.205 25653 1010 1 10 . 1 1 20 20 ILE CB C 20 40.182 40.182 41.059 -0.877 25653 1011 1 10 . 1 1 20 20 ILE H H 20 8.102 8.102 8.440 -0.338 25653 1012 1 10 . 1 1 21 21 CYS HA H 21 4.735 4.735 4.935 -0.200 25653 1013 1 10 . 1 1 21 21 CYS CA C 21 53.258 53.258 58.779 -5.521 25653 1014 1 10 . 1 1 21 21 CYS CB C 21 38.612 38.612 25.404 13.208 25653 1015 1 10 . 1 1 21 21 CYS H H 21 8.516 8.516 8.685 -0.169 25653 1016 1 10 . 1 1 22 22 TYR HA H 22 4.404 4.404 4.641 -0.237 25653 1017 1 10 . 1 1 22 22 TYR CA C 22 56.386 56.386 56.539 -0.153 25653 1018 1 10 . 1 1 22 22 TYR CB C 22 39.225 39.225 39.111 0.114 25653 1019 1 10 . 1 1 22 22 TYR H H 22 8.859 8.859 9.409 -0.550 25653 1020 1 10 . 1 1 23 23 PRO HA H 23 4.510 4.510 4.433 0.077 25653 1021 1 10 . 1 1 23 23 PRO CA C 23 61.466 61.466 62.995 -1.530 25653 1022 1 10 . 1 1 23 23 PRO CB C 23 27.705 27.705 29.538 -1.833 25653 1023 1 10 . 1 1 24 24 THR HA H 24 4.994 4.994 4.556 0.438 25653 1024 1 10 . 1 1 24 24 THR CA C 24 60.198 60.198 60.933 -0.735 25653 1025 1 10 . 1 1 24 24 THR CB C 24 68.850 68.850 70.881 -2.031 25653 1026 1 10 . 1 1 24 24 THR H H 24 7.959 7.959 8.070 -0.111 25653 1027 1 10 . 1 1 25 25 PHE HA H 25 4.594 4.594 4.918 -0.324 25653 1028 1 10 . 1 1 25 25 PHE CA C 25 53.270 53.270 54.986 -1.716 25653 1029 1 10 . 1 1 25 25 PHE CB C 25 41.647 41.647 40.166 1.482 25653 1030 1 10 . 1 1 25 25 PHE H H 25 8.297 8.297 8.589 -0.292 25653 1031 1 10 . 1 1 26 26 PRO HA H 26 3.626 3.626 4.367 -0.741 25653 1032 1 10 . 1 1 26 26 PRO CA C 26 62.856 62.856 64.251 -1.395 25653 1033 1 10 . 1 1 26 26 PRO CB C 26 33.648 33.648 31.826 1.822 25653 1034 1 10 . 1 1 27 27 GLU HA H 27 4.744 4.744 4.391 0.353 25653 1035 1 10 . 1 1 27 27 GLU CA C 27 51.119 51.119 52.996 -1.877 25653 1036 1 10 . 1 1 27 27 GLU CB C 27 28.919 28.919 30.095 -1.176 25653 1037 1 10 . 1 1 27 27 GLU H H 27 7.227 7.227 8.041 -0.814 25653 1038 1 10 . 1 1 28 28 PRO HA H 28 4.897 4.897 4.691 0.206 25653 1039 1 10 . 1 1 28 28 PRO CA C 28 62.335 62.335 62.620 -0.285 25653 1040 1 10 . 1 1 28 28 PRO CB C 28 32.209 32.209 32.574 -0.365 25653 1041 1 10 . 1 1 29 29 ILE HA H 29 4.901 4.901 4.855 0.046 25653 1042 1 10 . 1 1 29 29 ILE CA C 29 57.862 57.862 57.921 -0.059 25653 1043 1 10 . 1 1 29 29 ILE CB C 29 42.462 42.462 41.177 1.285 25653 1044 1 10 . 1 1 29 29 ILE H H 29 7.717 7.717 7.905 -0.188 25653 1045 1 10 . 1 1 30 30 CYS HA H 30 5.485 5.485 5.176 0.309 25653 1046 1 10 . 1 1 30 30 CYS CA C 30 54.566 54.566 58.553 -3.987 25653 1047 1 10 . 1 1 30 30 CYS CB C 30 40.404 40.404 26.508 13.896 25653 1048 1 10 . 1 1 30 30 CYS H H 30 8.439 8.439 8.437 0.002 25653 1049 1 10 . 1 1 31 31 GLY CA C 31 44.788 44.788 45.038 -0.250 25653 1050 1 10 . 1 1 31 31 GLY H H 31 9.902 9.902 9.288 0.614 25653 1051 1 11 . 1 1 3 3 CYS HA H 3 4.989 4.989 4.806 0.183 25653 1052 1 11 . 1 1 3 3 CYS CA C 3 52.524 52.524 56.761 -4.237 25653 1053 1 11 . 1 1 3 3 CYS CB C 3 43.609 43.609 31.689 11.920 25653 1054 1 11 . 1 1 3 3 CYS H H 3 7.762 7.762 7.661 0.101 25653 1055 1 11 . 1 1 4 4 ALA HA H 4 4.326 4.326 4.675 -0.349 25653 1056 1 11 . 1 1 4 4 ALA CA C 4 50.194 50.194 51.348 -1.154 25653 1057 1 11 . 1 1 4 4 ALA CB C 4 20.591 20.591 19.768 0.823 25653 1058 1 11 . 1 1 4 4 ALA H H 4 9.027 9.027 8.626 0.401 25653 1059 1 11 . 1 1 5 5 GLU HA H 5 4.026 4.026 4.375 -0.349 25653 1060 1 11 . 1 1 5 5 GLU CA C 5 53.176 53.176 55.017 -1.841 25653 1061 1 11 . 1 1 5 5 GLU CB C 5 29.310 29.310 30.607 -1.297 25653 1062 1 11 . 1 1 5 5 GLU H H 5 7.583 7.583 8.682 -1.099 25653 1063 1 11 . 1 1 6 6 GLU HA H 6 3.540 3.540 4.462 -0.922 25653 1064 1 11 . 1 1 6 6 GLU CA C 6 56.986 56.986 56.318 0.668 25653 1065 1 11 . 1 1 6 6 GLU CB C 6 28.177 28.177 28.995 -0.818 25653 1066 1 11 . 1 1 6 6 GLU H H 6 8.031 8.031 8.511 -0.480 25653 1067 1 11 . 1 1 7 7 GLY CA C 7 44.986 44.986 45.013 -0.027 25653 1068 1 11 . 1 1 7 7 GLY H H 7 8.854 8.854 8.581 0.273 25653 1069 1 11 . 1 1 8 8 GLU HA H 8 4.465 4.465 4.755 -0.290 25653 1070 1 11 . 1 1 8 8 GLU CA C 8 52.956 52.956 54.076 -1.120 25653 1071 1 11 . 1 1 8 8 GLU CB C 8 29.773 29.773 32.352 -2.579 25653 1072 1 11 . 1 1 8 8 GLU H H 8 7.819 7.819 7.729 0.090 25653 1073 1 11 . 1 1 9 9 SER HA H 9 5.080 5.080 5.135 -0.055 25653 1074 1 11 . 1 1 9 9 SER CA C 9 56.778 56.778 57.702 -0.924 25653 1075 1 11 . 1 1 9 9 SER CB C 9 64.205 64.205 63.395 0.810 25653 1076 1 11 . 1 1 9 9 SER H H 9 8.284 8.284 8.568 -0.284 25653 1077 1 11 . 1 1 10 10 CYS HA H 10 5.468 5.468 5.367 0.101 25653 1078 1 11 . 1 1 10 10 CYS CA C 10 53.695 53.695 56.667 -2.972 25653 1079 1 11 . 1 1 10 10 CYS CB C 10 45.676 45.676 26.282 19.393 25653 1080 1 11 . 1 1 10 10 CYS H H 10 7.377 7.377 8.257 -0.880 25653 1081 1 11 . 1 1 11 11 GLU HA H 11 3.903 3.903 4.178 -0.275 25653 1082 1 11 . 1 1 11 11 GLU CA C 11 57.575 57.575 58.384 -0.809 25653 1083 1 11 . 1 1 11 11 GLU CB C 11 28.668 28.668 29.043 -0.375 25653 1084 1 11 . 1 1 11 11 GLU H H 11 7.544 7.544 8.501 -0.957 25653 1085 1 11 . 1 1 12 12 VAL HA H 12 3.893 3.893 4.139 -0.246 25653 1086 1 11 . 1 1 12 12 VAL CA C 12 61.433 61.433 62.938 -1.505 25653 1087 1 11 . 1 1 12 12 VAL CB C 12 32.771 32.771 33.780 -1.009 25653 1088 1 11 . 1 1 12 12 VAL H H 12 7.536 7.536 7.682 -0.146 25653 1089 1 11 . 1 1 13 13 TYR HA H 13 4.603 4.603 4.963 -0.360 25653 1090 1 11 . 1 1 13 13 TYR CA C 13 55.557 55.557 55.634 -0.077 25653 1091 1 11 . 1 1 13 13 TYR CB C 13 38.917 38.917 40.505 -1.588 25653 1092 1 11 . 1 1 13 13 TYR H H 13 7.213 7.213 7.976 -0.763 25653 1093 1 11 . 1 1 14 14 PRO HA H 14 4.541 4.541 4.554 -0.013 25653 1094 1 11 . 1 1 14 14 PRO CA C 14 60.415 60.415 62.645 -2.230 25653 1095 1 11 . 1 1 14 14 PRO CB C 14 31.595 31.595 33.199 -1.604 25653 1096 1 11 . 1 1 15 15 CYS HA H 15 4.925 4.925 5.609 -0.684 25653 1097 1 11 . 1 1 15 15 CYS CA C 15 54.229 54.229 58.922 -4.693 25653 1098 1 11 . 1 1 15 15 CYS CB C 15 39.173 39.173 28.653 10.520 25653 1099 1 11 . 1 1 15 15 CYS H H 15 8.986 8.986 8.577 0.409 25653 1100 1 11 . 1 1 16 16 CYS HA H 16 4.423 4.423 4.573 -0.150 25653 1101 1 11 . 1 1 16 16 CYS CA C 16 52.994 52.994 60.178 -7.184 25653 1102 1 11 . 1 1 16 16 CYS CB C 16 40.662 40.662 28.390 12.272 25653 1103 1 11 . 1 1 16 16 CYS H H 16 9.018 9.018 8.987 0.031 25653 1104 1 11 . 1 1 17 17 ASP HA H 17 4.218 4.218 4.618 -0.400 25653 1105 1 11 . 1 1 17 17 ASP CA C 17 51.378 51.378 55.304 -3.926 25653 1106 1 11 . 1 1 17 17 ASP CB C 17 37.397 37.397 40.426 -3.030 25653 1107 1 11 . 1 1 17 17 ASP H H 17 9.414 9.414 8.305 1.109 25653 1108 1 11 . 1 1 18 18 GLY CA C 18 43.836 43.836 45.174 -1.338 25653 1109 1 11 . 1 1 19 19 LEU HA H 19 4.130 4.130 4.539 -0.409 25653 1110 1 11 . 1 1 19 19 LEU CA C 19 53.875 53.875 54.382 -0.507 25653 1111 1 11 . 1 1 19 19 LEU CB C 19 41.530 41.530 43.124 -1.594 25653 1112 1 11 . 1 1 19 19 LEU H H 19 6.878 6.878 7.711 -0.833 25653 1113 1 11 . 1 1 20 20 ILE HA H 20 4.015 4.015 4.218 -0.203 25653 1114 1 11 . 1 1 20 20 ILE CA C 20 57.950 57.950 60.214 -2.264 25653 1115 1 11 . 1 1 20 20 ILE CB C 20 40.182 40.182 40.938 -0.756 25653 1116 1 11 . 1 1 20 20 ILE H H 20 8.102 8.102 8.408 -0.306 25653 1117 1 11 . 1 1 21 21 CYS HA H 21 4.735 4.735 4.950 -0.215 25653 1118 1 11 . 1 1 21 21 CYS CA C 21 53.258 53.258 58.775 -5.517 25653 1119 1 11 . 1 1 21 21 CYS CB C 21 38.612 38.612 25.439 13.172 25653 1120 1 11 . 1 1 21 21 CYS H H 21 8.516 8.516 8.679 -0.163 25653 1121 1 11 . 1 1 22 22 TYR HA H 22 4.404 4.404 4.644 -0.240 25653 1122 1 11 . 1 1 22 22 TYR CA C 22 56.386 56.386 56.533 -0.147 25653 1123 1 11 . 1 1 22 22 TYR CB C 22 39.225 39.225 39.145 0.080 25653 1124 1 11 . 1 1 22 22 TYR H H 22 8.859 8.859 9.412 -0.553 25653 1125 1 11 . 1 1 23 23 PRO HA H 23 4.510 4.510 4.433 0.077 25653 1126 1 11 . 1 1 23 23 PRO CA C 23 61.466 61.466 62.994 -1.528 25653 1127 1 11 . 1 1 23 23 PRO CB C 23 27.705 27.705 29.555 -1.851 25653 1128 1 11 . 1 1 24 24 THR HA H 24 4.994 4.994 4.562 0.432 25653 1129 1 11 . 1 1 24 24 THR CA C 24 60.198 60.198 60.900 -0.702 25653 1130 1 11 . 1 1 24 24 THR CB C 24 68.850 68.850 70.910 -2.060 25653 1131 1 11 . 1 1 24 24 THR H H 24 7.959 7.959 8.070 -0.111 25653 1132 1 11 . 1 1 25 25 PHE HA H 25 4.594 4.594 4.914 -0.320 25653 1133 1 11 . 1 1 25 25 PHE CA C 25 53.270 53.270 55.031 -1.761 25653 1134 1 11 . 1 1 25 25 PHE CB C 25 41.647 41.647 40.122 1.525 25653 1135 1 11 . 1 1 25 25 PHE H H 25 8.297 8.297 8.593 -0.296 25653 1136 1 11 . 1 1 26 26 PRO HA H 26 3.626 3.626 4.376 -0.750 25653 1137 1 11 . 1 1 26 26 PRO CA C 26 62.856 62.856 64.042 -1.186 25653 1138 1 11 . 1 1 26 26 PRO CB C 26 33.648 33.648 31.878 1.770 25653 1139 1 11 . 1 1 27 27 GLU HA H 27 4.744 4.744 4.493 0.251 25653 1140 1 11 . 1 1 27 27 GLU CA C 27 51.119 51.119 52.730 -1.611 25653 1141 1 11 . 1 1 27 27 GLU CB C 27 28.919 28.919 30.398 -1.480 25653 1142 1 11 . 1 1 27 27 GLU H H 27 7.227 7.227 8.033 -0.806 25653 1143 1 11 . 1 1 28 28 PRO HA H 28 4.897 4.897 4.750 0.147 25653 1144 1 11 . 1 1 28 28 PRO CA C 28 62.335 62.335 62.770 -0.435 25653 1145 1 11 . 1 1 28 28 PRO CB C 28 32.209 32.209 32.464 -0.255 25653 1146 1 11 . 1 1 29 29 ILE HA H 29 4.901 4.901 4.846 0.055 25653 1147 1 11 . 1 1 29 29 ILE CA C 29 57.862 57.862 57.910 -0.048 25653 1148 1 11 . 1 1 29 29 ILE CB C 29 42.462 42.462 41.129 1.333 25653 1149 1 11 . 1 1 29 29 ILE H H 29 7.717 7.717 7.909 -0.192 25653 1150 1 11 . 1 1 30 30 CYS HA H 30 5.485 5.485 5.177 0.308 25653 1151 1 11 . 1 1 30 30 CYS CA C 30 54.566 54.566 58.515 -3.949 25653 1152 1 11 . 1 1 30 30 CYS CB C 30 40.404 40.404 26.580 13.824 25653 1153 1 11 . 1 1 30 30 CYS H H 30 8.439 8.439 8.447 -0.008 25653 1154 1 11 . 1 1 31 31 GLY CA C 31 44.788 44.788 45.256 -0.468 25653 1155 1 11 . 1 1 31 31 GLY H H 31 9.902 9.902 9.323 0.579 25653 1156 1 12 . 1 1 3 3 CYS HA H 3 4.989 4.989 4.806 0.183 25653 1157 1 12 . 1 1 3 3 CYS CA C 3 52.524 52.524 56.757 -4.233 25653 1158 1 12 . 1 1 3 3 CYS CB C 3 43.609 43.609 31.692 11.917 25653 1159 1 12 . 1 1 3 3 CYS H H 3 7.762 7.762 7.662 0.100 25653 1160 1 12 . 1 1 4 4 ALA HA H 4 4.326 4.326 4.676 -0.350 25653 1161 1 12 . 1 1 4 4 ALA CA C 4 50.194 50.194 51.344 -1.150 25653 1162 1 12 . 1 1 4 4 ALA CB C 4 20.591 20.591 19.764 0.827 25653 1163 1 12 . 1 1 4 4 ALA H H 4 9.027 9.027 8.624 0.403 25653 1164 1 12 . 1 1 5 5 GLU HA H 5 4.026 4.026 4.374 -0.348 25653 1165 1 12 . 1 1 5 5 GLU CA C 5 53.176 53.176 55.019 -1.843 25653 1166 1 12 . 1 1 5 5 GLU CB C 5 29.310 29.310 30.606 -1.296 25653 1167 1 12 . 1 1 5 5 GLU H H 5 7.583 7.583 8.678 -1.095 25653 1168 1 12 . 1 1 6 6 GLU HA H 6 3.540 3.540 4.464 -0.924 25653 1169 1 12 . 1 1 6 6 GLU CA C 6 56.986 56.986 56.317 0.669 25653 1170 1 12 . 1 1 6 6 GLU CB C 6 28.177 28.177 28.992 -0.815 25653 1171 1 12 . 1 1 6 6 GLU H H 6 8.031 8.031 8.510 -0.479 25653 1172 1 12 . 1 1 7 7 GLY CA C 7 44.986 44.986 44.881 0.105 25653 1173 1 12 . 1 1 7 7 GLY H H 7 8.854 8.854 8.596 0.258 25653 1174 1 12 . 1 1 8 8 GLU HA H 8 4.465 4.465 4.770 -0.305 25653 1175 1 12 . 1 1 8 8 GLU CA C 8 52.956 52.956 54.700 -1.744 25653 1176 1 12 . 1 1 8 8 GLU CB C 8 29.773 29.773 32.447 -2.674 25653 1177 1 12 . 1 1 8 8 GLU H H 8 7.819 7.819 7.650 0.169 25653 1178 1 12 . 1 1 9 9 SER HA H 9 5.080 5.080 5.149 -0.069 25653 1179 1 12 . 1 1 9 9 SER CA C 9 56.778 56.778 58.394 -1.616 25653 1180 1 12 . 1 1 9 9 SER CB C 9 64.205 64.205 63.827 0.378 25653 1181 1 12 . 1 1 9 9 SER H H 9 8.284 8.284 8.609 -0.325 25653 1182 1 12 . 1 1 10 10 CYS HA H 10 5.468 5.468 5.423 0.045 25653 1183 1 12 . 1 1 10 10 CYS CA C 10 53.695 53.695 56.570 -2.875 25653 1184 1 12 . 1 1 10 10 CYS CB C 10 45.676 45.676 26.244 19.432 25653 1185 1 12 . 1 1 10 10 CYS H H 10 7.377 7.377 8.354 -0.977 25653 1186 1 12 . 1 1 11 11 GLU HA H 11 3.903 3.903 4.203 -0.300 25653 1187 1 12 . 1 1 11 11 GLU CA C 11 57.575 57.575 58.318 -0.743 25653 1188 1 12 . 1 1 11 11 GLU CB C 11 28.668 28.668 29.182 -0.514 25653 1189 1 12 . 1 1 11 11 GLU H H 11 7.544 7.544 8.429 -0.885 25653 1190 1 12 . 1 1 12 12 VAL HA H 12 3.893 3.893 4.138 -0.245 25653 1191 1 12 . 1 1 12 12 VAL CA C 12 61.433 61.433 63.018 -1.585 25653 1192 1 12 . 1 1 12 12 VAL CB C 12 32.771 32.771 33.648 -0.877 25653 1193 1 12 . 1 1 12 12 VAL H H 12 7.536 7.536 7.720 -0.184 25653 1194 1 12 . 1 1 13 13 TYR HA H 13 4.603 4.603 4.967 -0.364 25653 1195 1 12 . 1 1 13 13 TYR CA C 13 55.557 55.557 55.766 -0.209 25653 1196 1 12 . 1 1 13 13 TYR CB C 13 38.917 38.917 40.593 -1.676 25653 1197 1 12 . 1 1 13 13 TYR H H 13 7.213 7.213 8.033 -0.820 25653 1198 1 12 . 1 1 14 14 PRO HA H 14 4.541 4.541 4.554 -0.013 25653 1199 1 12 . 1 1 14 14 PRO CA C 14 60.415 60.415 62.647 -2.232 25653 1200 1 12 . 1 1 14 14 PRO CB C 14 31.595 31.595 33.195 -1.600 25653 1201 1 12 . 1 1 15 15 CYS HA H 15 4.925 4.925 5.608 -0.683 25653 1202 1 12 . 1 1 15 15 CYS CA C 15 54.229 54.229 58.927 -4.698 25653 1203 1 12 . 1 1 15 15 CYS CB C 15 39.173 39.173 28.643 10.530 25653 1204 1 12 . 1 1 15 15 CYS H H 15 8.986 8.986 8.577 0.409 25653 1205 1 12 . 1 1 16 16 CYS HA H 16 4.423 4.423 4.573 -0.150 25653 1206 1 12 . 1 1 16 16 CYS CA C 16 52.994 52.994 60.181 -7.187 25653 1207 1 12 . 1 1 16 16 CYS CB C 16 40.662 40.662 28.394 12.268 25653 1208 1 12 . 1 1 16 16 CYS H H 16 9.018 9.018 8.988 0.030 25653 1209 1 12 . 1 1 17 17 ASP HA H 17 4.218 4.218 4.619 -0.401 25653 1210 1 12 . 1 1 17 17 ASP CA C 17 51.378 51.378 55.296 -3.918 25653 1211 1 12 . 1 1 17 17 ASP CB C 17 37.397 37.397 40.428 -3.031 25653 1212 1 12 . 1 1 17 17 ASP H H 17 9.414 9.414 8.304 1.110 25653 1213 1 12 . 1 1 18 18 GLY CA C 18 43.836 43.836 45.173 -1.337 25653 1214 1 12 . 1 1 19 19 LEU HA H 19 4.130 4.130 4.539 -0.409 25653 1215 1 12 . 1 1 19 19 LEU CA C 19 53.875 53.875 54.374 -0.499 25653 1216 1 12 . 1 1 19 19 LEU CB C 19 41.530 41.530 43.126 -1.596 25653 1217 1 12 . 1 1 19 19 LEU H H 19 6.878 6.878 7.712 -0.834 25653 1218 1 12 . 1 1 20 20 ILE HA H 20 4.015 4.015 4.218 -0.203 25653 1219 1 12 . 1 1 20 20 ILE CA C 20 57.950 57.950 60.219 -2.269 25653 1220 1 12 . 1 1 20 20 ILE CB C 20 40.182 40.182 40.933 -0.751 25653 1221 1 12 . 1 1 20 20 ILE H H 20 8.102 8.102 8.403 -0.301 25653 1222 1 12 . 1 1 21 21 CYS HA H 21 4.735 4.735 4.952 -0.217 25653 1223 1 12 . 1 1 21 21 CYS CA C 21 53.258 53.258 58.767 -5.509 25653 1224 1 12 . 1 1 21 21 CYS CB C 21 38.612 38.612 25.437 13.175 25653 1225 1 12 . 1 1 21 21 CYS H H 21 8.516 8.516 8.679 -0.163 25653 1226 1 12 . 1 1 22 22 TYR HA H 22 4.404 4.404 4.641 -0.237 25653 1227 1 12 . 1 1 22 22 TYR CA C 22 56.386 56.386 56.543 -0.157 25653 1228 1 12 . 1 1 22 22 TYR CB C 22 39.225 39.225 39.139 0.085 25653 1229 1 12 . 1 1 22 22 TYR H H 22 8.859 8.859 9.414 -0.555 25653 1230 1 12 . 1 1 23 23 PRO HA H 23 4.510 4.510 4.439 0.071 25653 1231 1 12 . 1 1 23 23 PRO CA C 23 61.466 61.466 62.801 -1.335 25653 1232 1 12 . 1 1 23 23 PRO CB C 23 27.705 27.705 29.962 -2.257 25653 1233 1 12 . 1 1 24 24 THR HA H 24 4.994 4.994 4.528 0.466 25653 1234 1 12 . 1 1 24 24 THR CA C 24 60.198 60.198 61.061 -0.863 25653 1235 1 12 . 1 1 24 24 THR CB C 24 68.850 68.850 70.877 -2.027 25653 1236 1 12 . 1 1 24 24 THR H H 24 7.959 7.959 8.174 -0.215 25653 1237 1 12 . 1 1 25 25 PHE HA H 25 4.594 4.594 4.916 -0.322 25653 1238 1 12 . 1 1 25 25 PHE CA C 25 53.270 53.270 55.075 -1.805 25653 1239 1 12 . 1 1 25 25 PHE CB C 25 41.647 41.647 40.167 1.480 25653 1240 1 12 . 1 1 25 25 PHE H H 25 8.297 8.297 8.510 -0.213 25653 1241 1 12 . 1 1 26 26 PRO HA H 26 3.626 3.626 4.377 -0.751 25653 1242 1 12 . 1 1 26 26 PRO CA C 26 62.856 62.856 64.037 -1.181 25653 1243 1 12 . 1 1 26 26 PRO CB C 26 33.648 33.648 31.879 1.769 25653 1244 1 12 . 1 1 27 27 GLU HA H 27 4.744 4.744 4.403 0.341 25653 1245 1 12 . 1 1 27 27 GLU CA C 27 51.119 51.119 52.925 -1.806 25653 1246 1 12 . 1 1 27 27 GLU CB C 27 28.919 28.919 30.416 -1.497 25653 1247 1 12 . 1 1 27 27 GLU H H 27 7.227 7.227 7.946 -0.719 25653 1248 1 12 . 1 1 28 28 PRO HA H 28 4.897 4.897 4.674 0.223 25653 1249 1 12 . 1 1 28 28 PRO CA C 28 62.335 62.335 62.632 -0.297 25653 1250 1 12 . 1 1 28 28 PRO CB C 28 32.209 32.209 32.473 -0.264 25653 1251 1 12 . 1 1 29 29 ILE HA H 29 4.901 4.901 4.845 0.056 25653 1252 1 12 . 1 1 29 29 ILE CA C 29 57.862 57.862 57.905 -0.043 25653 1253 1 12 . 1 1 29 29 ILE CB C 29 42.462 42.462 41.120 1.343 25653 1254 1 12 . 1 1 29 29 ILE H H 29 7.717 7.717 7.909 -0.192 25653 1255 1 12 . 1 1 30 30 CYS HA H 30 5.485 5.485 5.175 0.310 25653 1256 1 12 . 1 1 30 30 CYS CA C 30 54.566 54.566 58.519 -3.953 25653 1257 1 12 . 1 1 30 30 CYS CB C 30 40.404 40.404 26.571 13.833 25653 1258 1 12 . 1 1 30 30 CYS H H 30 8.439 8.439 8.451 -0.012 25653 1259 1 12 . 1 1 31 31 GLY CA C 31 44.788 44.788 45.319 -0.531 25653 1260 1 12 . 1 1 31 31 GLY H H 31 9.902 9.902 9.249 0.653 25653 1261 1 13 . 1 1 3 3 CYS HA H 3 4.989 4.989 4.809 0.180 25653 1262 1 13 . 1 1 3 3 CYS CA C 3 52.524 52.524 56.778 -4.254 25653 1263 1 13 . 1 1 3 3 CYS CB C 3 43.609 43.609 31.680 11.929 25653 1264 1 13 . 1 1 3 3 CYS H H 3 7.762 7.762 7.699 0.063 25653 1265 1 13 . 1 1 4 4 ALA HA H 4 4.326 4.326 4.677 -0.351 25653 1266 1 13 . 1 1 4 4 ALA CA C 4 50.194 50.194 51.343 -1.149 25653 1267 1 13 . 1 1 4 4 ALA CB C 4 20.591 20.591 19.779 0.812 25653 1268 1 13 . 1 1 4 4 ALA H H 4 9.027 9.027 8.625 0.402 25653 1269 1 13 . 1 1 5 5 GLU HA H 5 4.026 4.026 4.376 -0.350 25653 1270 1 13 . 1 1 5 5 GLU CA C 5 53.176 53.176 55.014 -1.838 25653 1271 1 13 . 1 1 5 5 GLU CB C 5 29.310 29.310 30.612 -1.302 25653 1272 1 13 . 1 1 5 5 GLU H H 5 7.583 7.583 8.686 -1.103 25653 1273 1 13 . 1 1 6 6 GLU HA H 6 3.540 3.540 4.463 -0.923 25653 1274 1 13 . 1 1 6 6 GLU CA C 6 56.986 56.986 56.307 0.679 25653 1275 1 13 . 1 1 6 6 GLU CB C 6 28.177 28.177 29.008 -0.831 25653 1276 1 13 . 1 1 6 6 GLU H H 6 8.031 8.031 8.509 -0.478 25653 1277 1 13 . 1 1 7 7 GLY CA C 7 44.986 44.986 45.014 -0.028 25653 1278 1 13 . 1 1 7 7 GLY H H 7 8.854 8.854 8.584 0.270 25653 1279 1 13 . 1 1 8 8 GLU HA H 8 4.465 4.465 4.742 -0.277 25653 1280 1 13 . 1 1 8 8 GLU CA C 8 52.956 52.956 54.082 -1.126 25653 1281 1 13 . 1 1 8 8 GLU CB C 8 29.773 29.773 32.213 -2.440 25653 1282 1 13 . 1 1 8 8 GLU H H 8 7.819 7.819 7.729 0.090 25653 1283 1 13 . 1 1 9 9 SER HA H 9 5.080 5.080 5.157 -0.077 25653 1284 1 13 . 1 1 9 9 SER CA C 9 56.778 56.778 58.136 -1.358 25653 1285 1 13 . 1 1 9 9 SER CB C 9 64.205 64.205 63.635 0.570 25653 1286 1 13 . 1 1 9 9 SER H H 9 8.284 8.284 8.580 -0.296 25653 1287 1 13 . 1 1 10 10 CYS HA H 10 5.468 5.468 5.395 0.073 25653 1288 1 13 . 1 1 10 10 CYS CA C 10 53.695 53.695 56.629 -2.933 25653 1289 1 13 . 1 1 10 10 CYS CB C 10 45.676 45.676 26.343 19.333 25653 1290 1 13 . 1 1 10 10 CYS H H 10 7.377 7.377 8.263 -0.886 25653 1291 1 13 . 1 1 11 11 GLU HA H 11 3.903 3.903 4.178 -0.275 25653 1292 1 13 . 1 1 11 11 GLU CA C 11 57.575 57.575 58.382 -0.807 25653 1293 1 13 . 1 1 11 11 GLU CB C 11 28.668 28.668 29.040 -0.372 25653 1294 1 13 . 1 1 11 11 GLU H H 11 7.544 7.544 8.502 -0.958 25653 1295 1 13 . 1 1 12 12 VAL HA H 12 3.893 3.893 4.139 -0.246 25653 1296 1 13 . 1 1 12 12 VAL CA C 12 61.433 61.433 62.936 -1.503 25653 1297 1 13 . 1 1 12 12 VAL CB C 12 32.771 32.771 33.782 -1.011 25653 1298 1 13 . 1 1 12 12 VAL H H 12 7.536 7.536 7.682 -0.146 25653 1299 1 13 . 1 1 13 13 TYR HA H 13 4.603 4.603 4.962 -0.359 25653 1300 1 13 . 1 1 13 13 TYR CA C 13 55.557 55.557 55.632 -0.075 25653 1301 1 13 . 1 1 13 13 TYR CB C 13 38.917 38.917 40.510 -1.593 25653 1302 1 13 . 1 1 13 13 TYR H H 13 7.213 7.213 7.975 -0.762 25653 1303 1 13 . 1 1 14 14 PRO HA H 14 4.541 4.541 4.554 -0.013 25653 1304 1 13 . 1 1 14 14 PRO CA C 14 60.415 60.415 62.644 -2.229 25653 1305 1 13 . 1 1 14 14 PRO CB C 14 31.595 31.595 33.196 -1.601 25653 1306 1 13 . 1 1 15 15 CYS HA H 15 4.925 4.925 5.607 -0.682 25653 1307 1 13 . 1 1 15 15 CYS CA C 15 54.229 54.229 58.926 -4.697 25653 1308 1 13 . 1 1 15 15 CYS CB C 15 39.173 39.173 28.654 10.519 25653 1309 1 13 . 1 1 15 15 CYS H H 15 8.986 8.986 8.576 0.410 25653 1310 1 13 . 1 1 16 16 CYS HA H 16 4.423 4.423 4.590 -0.167 25653 1311 1 13 . 1 1 16 16 CYS CA C 16 52.994 52.994 60.435 -7.441 25653 1312 1 13 . 1 1 16 16 CYS CB C 16 40.662 40.662 28.320 12.342 25653 1313 1 13 . 1 1 16 16 CYS H H 16 9.018 9.018 9.082 -0.064 25653 1314 1 13 . 1 1 17 17 ASP HA H 17 4.218 4.218 4.624 -0.406 25653 1315 1 13 . 1 1 17 17 ASP CA C 17 51.378 51.378 54.946 -3.568 25653 1316 1 13 . 1 1 17 17 ASP CB C 17 37.397 37.397 40.474 -3.077 25653 1317 1 13 . 1 1 17 17 ASP H H 17 9.414 9.414 8.314 1.100 25653 1318 1 13 . 1 1 18 18 GLY CA C 18 43.836 43.836 45.174 -1.338 25653 1319 1 13 . 1 1 19 19 LEU HA H 19 4.130 4.130 4.538 -0.408 25653 1320 1 13 . 1 1 19 19 LEU CA C 19 53.875 53.875 54.387 -0.512 25653 1321 1 13 . 1 1 19 19 LEU CB C 19 41.530 41.530 43.123 -1.593 25653 1322 1 13 . 1 1 19 19 LEU H H 19 6.878 6.878 7.713 -0.835 25653 1323 1 13 . 1 1 20 20 ILE HA H 20 4.015 4.015 4.218 -0.203 25653 1324 1 13 . 1 1 20 20 ILE CA C 20 57.950 57.950 60.215 -2.265 25653 1325 1 13 . 1 1 20 20 ILE CB C 20 40.182 40.182 40.941 -0.760 25653 1326 1 13 . 1 1 20 20 ILE H H 20 8.102 8.102 8.406 -0.304 25653 1327 1 13 . 1 1 21 21 CYS HA H 21 4.735 4.735 4.954 -0.219 25653 1328 1 13 . 1 1 21 21 CYS CA C 21 53.258 53.258 58.767 -5.509 25653 1329 1 13 . 1 1 21 21 CYS CB C 21 38.612 38.612 25.444 13.168 25653 1330 1 13 . 1 1 21 21 CYS H H 21 8.516 8.516 8.677 -0.161 25653 1331 1 13 . 1 1 22 22 TYR HA H 22 4.404 4.404 4.644 -0.240 25653 1332 1 13 . 1 1 22 22 TYR CA C 22 56.386 56.386 56.530 -0.144 25653 1333 1 13 . 1 1 22 22 TYR CB C 22 39.225 39.225 39.144 0.081 25653 1334 1 13 . 1 1 22 22 TYR H H 22 8.859 8.859 9.413 -0.554 25653 1335 1 13 . 1 1 23 23 PRO HA H 23 4.510 4.510 4.440 0.070 25653 1336 1 13 . 1 1 23 23 PRO CA C 23 61.466 61.466 62.800 -1.334 25653 1337 1 13 . 1 1 23 23 PRO CB C 23 27.705 27.705 29.962 -2.257 25653 1338 1 13 . 1 1 24 24 THR HA H 24 4.994 4.994 4.527 0.467 25653 1339 1 13 . 1 1 24 24 THR CA C 24 60.198 60.198 61.068 -0.869 25653 1340 1 13 . 1 1 24 24 THR CB C 24 68.850 68.850 70.873 -2.023 25653 1341 1 13 . 1 1 24 24 THR H H 24 7.959 7.959 8.174 -0.215 25653 1342 1 13 . 1 1 25 25 PHE HA H 25 4.594 4.594 4.916 -0.322 25653 1343 1 13 . 1 1 25 25 PHE CA C 25 53.270 53.270 55.076 -1.806 25653 1344 1 13 . 1 1 25 25 PHE CB C 25 41.647 41.647 40.157 1.490 25653 1345 1 13 . 1 1 25 25 PHE H H 25 8.297 8.297 8.511 -0.214 25653 1346 1 13 . 1 1 26 26 PRO HA H 26 3.626 3.626 4.378 -0.752 25653 1347 1 13 . 1 1 26 26 PRO CA C 26 62.856 62.856 64.036 -1.180 25653 1348 1 13 . 1 1 26 26 PRO CB C 26 33.648 33.648 31.880 1.768 25653 1349 1 13 . 1 1 27 27 GLU HA H 27 4.744 4.744 4.402 0.342 25653 1350 1 13 . 1 1 27 27 GLU CA C 27 51.119 51.119 52.923 -1.804 25653 1351 1 13 . 1 1 27 27 GLU CB C 27 28.919 28.919 30.419 -1.500 25653 1352 1 13 . 1 1 27 27 GLU H H 27 7.227 7.227 7.944 -0.717 25653 1353 1 13 . 1 1 28 28 PRO HA H 28 4.897 4.897 4.674 0.223 25653 1354 1 13 . 1 1 28 28 PRO CA C 28 62.335 62.335 62.635 -0.299 25653 1355 1 13 . 1 1 28 28 PRO CB C 28 32.209 32.209 32.473 -0.264 25653 1356 1 13 . 1 1 29 29 ILE HA H 29 4.901 4.901 4.844 0.057 25653 1357 1 13 . 1 1 29 29 ILE CA C 29 57.862 57.862 57.911 -0.049 25653 1358 1 13 . 1 1 29 29 ILE CB C 29 42.462 42.462 41.133 1.329 25653 1359 1 13 . 1 1 29 29 ILE H H 29 7.717 7.717 7.909 -0.192 25653 1360 1 13 . 1 1 30 30 CYS HA H 30 5.485 5.485 5.179 0.306 25653 1361 1 13 . 1 1 30 30 CYS CA C 30 54.566 54.566 58.516 -3.950 25653 1362 1 13 . 1 1 30 30 CYS CB C 30 40.404 40.404 26.572 13.832 25653 1363 1 13 . 1 1 30 30 CYS H H 30 8.439 8.439 8.447 -0.008 25653 1364 1 13 . 1 1 31 31 GLY CA C 31 44.788 44.788 45.313 -0.525 25653 1365 1 13 . 1 1 31 31 GLY H H 31 9.902 9.902 9.251 0.651 25653 1366 1 14 . 1 1 3 3 CYS HA H 3 4.989 4.989 4.806 0.183 25653 1367 1 14 . 1 1 3 3 CYS CA C 3 52.524 52.524 56.756 -4.232 25653 1368 1 14 . 1 1 3 3 CYS CB C 3 43.609 43.609 31.692 11.917 25653 1369 1 14 . 1 1 3 3 CYS H H 3 7.762 7.762 7.661 0.101 25653 1370 1 14 . 1 1 4 4 ALA HA H 4 4.326 4.326 4.672 -0.346 25653 1371 1 14 . 1 1 4 4 ALA CA C 4 50.194 50.194 51.353 -1.159 25653 1372 1 14 . 1 1 4 4 ALA CB C 4 20.591 20.591 19.738 0.853 25653 1373 1 14 . 1 1 4 4 ALA H H 4 9.027 9.027 8.624 0.403 25653 1374 1 14 . 1 1 5 5 GLU HA H 5 4.026 4.026 4.366 -0.340 25653 1375 1 14 . 1 1 5 5 GLU CA C 5 53.176 53.176 55.050 -1.874 25653 1376 1 14 . 1 1 5 5 GLU CB C 5 29.310 29.310 30.572 -1.262 25653 1377 1 14 . 1 1 5 5 GLU H H 5 7.583 7.583 8.673 -1.090 25653 1378 1 14 . 1 1 6 6 GLU HA H 6 3.540 3.540 4.472 -0.932 25653 1379 1 14 . 1 1 6 6 GLU CA C 6 56.986 56.986 56.309 0.677 25653 1380 1 14 . 1 1 6 6 GLU CB C 6 28.177 28.177 28.998 -0.821 25653 1381 1 14 . 1 1 6 6 GLU H H 6 8.031 8.031 8.511 -0.480 25653 1382 1 14 . 1 1 7 7 GLY CA C 7 44.986 44.986 45.006 -0.020 25653 1383 1 14 . 1 1 7 7 GLY H H 7 8.854 8.854 8.580 0.274 25653 1384 1 14 . 1 1 8 8 GLU HA H 8 4.465 4.465 4.704 -0.239 25653 1385 1 14 . 1 1 8 8 GLU CA C 8 52.956 52.956 54.275 -1.319 25653 1386 1 14 . 1 1 8 8 GLU CB C 8 29.773 29.773 32.385 -2.612 25653 1387 1 14 . 1 1 8 8 GLU H H 8 7.819 7.819 7.739 0.080 25653 1388 1 14 . 1 1 9 9 SER HA H 9 5.080 5.080 5.169 -0.089 25653 1389 1 14 . 1 1 9 9 SER CA C 9 56.778 56.778 58.358 -1.579 25653 1390 1 14 . 1 1 9 9 SER CB C 9 64.205 64.205 63.832 0.373 25653 1391 1 14 . 1 1 9 9 SER H H 9 8.284 8.284 8.604 -0.320 25653 1392 1 14 . 1 1 10 10 CYS HA H 10 5.468 5.468 5.416 0.052 25653 1393 1 14 . 1 1 10 10 CYS CA C 10 53.695 53.695 56.576 -2.881 25653 1394 1 14 . 1 1 10 10 CYS CB C 10 45.676 45.676 26.231 19.445 25653 1395 1 14 . 1 1 10 10 CYS H H 10 7.377 7.377 8.366 -0.989 25653 1396 1 14 . 1 1 11 11 GLU HA H 11 3.903 3.903 4.205 -0.302 25653 1397 1 14 . 1 1 11 11 GLU CA C 11 57.575 57.575 58.309 -0.734 25653 1398 1 14 . 1 1 11 11 GLU CB C 11 28.668 28.668 29.184 -0.516 25653 1399 1 14 . 1 1 11 11 GLU H H 11 7.544 7.544 8.424 -0.880 25653 1400 1 14 . 1 1 12 12 VAL HA H 12 3.893 3.893 4.136 -0.243 25653 1401 1 14 . 1 1 12 12 VAL CA C 12 61.433 61.433 63.015 -1.582 25653 1402 1 14 . 1 1 12 12 VAL CB C 12 32.771 32.771 33.630 -0.859 25653 1403 1 14 . 1 1 12 12 VAL H H 12 7.536 7.536 7.728 -0.192 25653 1404 1 14 . 1 1 13 13 TYR HA H 13 4.603 4.603 4.966 -0.363 25653 1405 1 14 . 1 1 13 13 TYR CA C 13 55.557 55.557 55.766 -0.209 25653 1406 1 14 . 1 1 13 13 TYR CB C 13 38.917 38.917 40.603 -1.686 25653 1407 1 14 . 1 1 13 13 TYR H H 13 7.213 7.213 8.031 -0.818 25653 1408 1 14 . 1 1 14 14 PRO HA H 14 4.541 4.541 4.555 -0.014 25653 1409 1 14 . 1 1 14 14 PRO CA C 14 60.415 60.415 62.641 -2.226 25653 1410 1 14 . 1 1 14 14 PRO CB C 14 31.595 31.595 33.199 -1.604 25653 1411 1 14 . 1 1 15 15 CYS HA H 15 4.925 4.925 5.604 -0.679 25653 1412 1 14 . 1 1 15 15 CYS CA C 15 54.229 54.229 58.915 -4.686 25653 1413 1 14 . 1 1 15 15 CYS CB C 15 39.173 39.173 28.642 10.531 25653 1414 1 14 . 1 1 15 15 CYS H H 15 8.986 8.986 8.575 0.411 25653 1415 1 14 . 1 1 16 16 CYS HA H 16 4.423 4.423 4.573 -0.150 25653 1416 1 14 . 1 1 16 16 CYS CA C 16 52.994 52.994 60.188 -7.194 25653 1417 1 14 . 1 1 16 16 CYS CB C 16 40.662 40.662 28.392 12.270 25653 1418 1 14 . 1 1 16 16 CYS H H 16 9.018 9.018 8.984 0.034 25653 1419 1 14 . 1 1 17 17 ASP HA H 17 4.218 4.218 4.619 -0.401 25653 1420 1 14 . 1 1 17 17 ASP CA C 17 51.378 51.378 55.293 -3.915 25653 1421 1 14 . 1 1 17 17 ASP CB C 17 37.397 37.397 40.429 -3.032 25653 1422 1 14 . 1 1 17 17 ASP H H 17 9.414 9.414 8.301 1.113 25653 1423 1 14 . 1 1 18 18 GLY CA C 18 43.836 43.836 45.172 -1.336 25653 1424 1 14 . 1 1 19 19 LEU HA H 19 4.130 4.130 4.540 -0.410 25653 1425 1 14 . 1 1 19 19 LEU CA C 19 53.875 53.875 54.383 -0.507 25653 1426 1 14 . 1 1 19 19 LEU CB C 19 41.530 41.530 43.125 -1.595 25653 1427 1 14 . 1 1 19 19 LEU H H 19 6.878 6.878 7.710 -0.832 25653 1428 1 14 . 1 1 20 20 ILE HA H 20 4.015 4.015 4.216 -0.201 25653 1429 1 14 . 1 1 20 20 ILE CA C 20 57.950 57.950 60.214 -2.264 25653 1430 1 14 . 1 1 20 20 ILE CB C 20 40.182 40.182 40.929 -0.747 25653 1431 1 14 . 1 1 20 20 ILE H H 20 8.102 8.102 8.413 -0.311 25653 1432 1 14 . 1 1 21 21 CYS HA H 21 4.735 4.735 4.935 -0.200 25653 1433 1 14 . 1 1 21 21 CYS CA C 21 53.258 53.258 58.774 -5.516 25653 1434 1 14 . 1 1 21 21 CYS CB C 21 38.612 38.612 25.437 13.175 25653 1435 1 14 . 1 1 21 21 CYS H H 21 8.516 8.516 8.677 -0.161 25653 1436 1 14 . 1 1 22 22 TYR HA H 22 4.404 4.404 4.648 -0.244 25653 1437 1 14 . 1 1 22 22 TYR CA C 22 56.386 56.386 56.511 -0.125 25653 1438 1 14 . 1 1 22 22 TYR CB C 22 39.225 39.225 39.146 0.079 25653 1439 1 14 . 1 1 22 22 TYR H H 22 8.859 8.859 9.406 -0.547 25653 1440 1 14 . 1 1 23 23 PRO HA H 23 4.510 4.510 4.435 0.075 25653 1441 1 14 . 1 1 23 23 PRO CA C 23 61.466 61.466 62.997 -1.531 25653 1442 1 14 . 1 1 23 23 PRO CB C 23 27.705 27.705 29.551 -1.846 25653 1443 1 14 . 1 1 24 24 THR HA H 24 4.994 4.994 4.559 0.435 25653 1444 1 14 . 1 1 24 24 THR CA C 24 60.198 60.198 60.907 -0.709 25653 1445 1 14 . 1 1 24 24 THR CB C 24 68.850 68.850 70.902 -2.052 25653 1446 1 14 . 1 1 24 24 THR H H 24 7.959 7.959 8.072 -0.113 25653 1447 1 14 . 1 1 25 25 PHE HA H 25 4.594 4.594 4.920 -0.326 25653 1448 1 14 . 1 1 25 25 PHE CA C 25 53.270 53.270 54.963 -1.693 25653 1449 1 14 . 1 1 25 25 PHE CB C 25 41.647 41.647 40.199 1.448 25653 1450 1 14 . 1 1 25 25 PHE H H 25 8.297 8.297 8.584 -0.287 25653 1451 1 14 . 1 1 26 26 PRO HA H 26 3.626 3.626 4.365 -0.739 25653 1452 1 14 . 1 1 26 26 PRO CA C 26 62.856 62.856 64.278 -1.422 25653 1453 1 14 . 1 1 26 26 PRO CB C 26 33.648 33.648 31.819 1.829 25653 1454 1 14 . 1 1 27 27 GLU HA H 27 4.744 4.744 4.466 0.278 25653 1455 1 14 . 1 1 27 27 GLU CA C 27 51.119 51.119 52.708 -1.589 25653 1456 1 14 . 1 1 27 27 GLU CB C 27 28.919 28.919 30.163 -1.244 25653 1457 1 14 . 1 1 27 27 GLU H H 27 7.227 7.227 8.126 -0.899 25653 1458 1 14 . 1 1 28 28 PRO HA H 28 4.897 4.897 4.728 0.169 25653 1459 1 14 . 1 1 28 28 PRO CA C 28 62.335 62.335 62.801 -0.466 25653 1460 1 14 . 1 1 28 28 PRO CB C 28 32.209 32.209 32.612 -0.403 25653 1461 1 14 . 1 1 29 29 ILE HA H 29 4.901 4.901 4.872 0.029 25653 1462 1 14 . 1 1 29 29 ILE CA C 29 57.862 57.862 57.850 0.012 25653 1463 1 14 . 1 1 29 29 ILE CB C 29 42.462 42.462 41.123 1.339 25653 1464 1 14 . 1 1 29 29 ILE H H 29 7.717 7.717 7.887 -0.170 25653 1465 1 14 . 1 1 30 30 CYS HA H 30 5.485 5.485 5.175 0.310 25653 1466 1 14 . 1 1 30 30 CYS CA C 30 54.566 54.566 58.542 -3.977 25653 1467 1 14 . 1 1 30 30 CYS CB C 30 40.404 40.404 26.547 13.857 25653 1468 1 14 . 1 1 30 30 CYS H H 30 8.439 8.439 8.441 -0.002 25653 1469 1 14 . 1 1 31 31 GLY CA C 31 44.788 44.788 45.250 -0.462 25653 1470 1 14 . 1 1 31 31 GLY H H 31 9.902 9.902 9.328 0.574 25653 1471 1 15 . 1 1 3 3 CYS HA H 3 4.989 4.989 4.804 0.185 25653 1472 1 15 . 1 1 3 3 CYS CA C 3 52.524 52.524 56.752 -4.228 25653 1473 1 15 . 1 1 3 3 CYS CB C 3 43.609 43.609 31.680 11.929 25653 1474 1 15 . 1 1 3 3 CYS H H 3 7.762 7.762 7.665 0.097 25653 1475 1 15 . 1 1 4 4 ALA HA H 4 4.326 4.326 4.669 -0.343 25653 1476 1 15 . 1 1 4 4 ALA CA C 4 50.194 50.194 51.361 -1.167 25653 1477 1 15 . 1 1 4 4 ALA CB C 4 20.591 20.591 19.796 0.795 25653 1478 1 15 . 1 1 4 4 ALA H H 4 9.027 9.027 8.584 0.443 25653 1479 1 15 . 1 1 5 5 GLU HA H 5 4.026 4.026 4.381 -0.355 25653 1480 1 15 . 1 1 5 5 GLU CA C 5 53.176 53.176 55.005 -1.829 25653 1481 1 15 . 1 1 5 5 GLU CB C 5 29.310 29.310 30.627 -1.317 25653 1482 1 15 . 1 1 5 5 GLU H H 5 7.583 7.583 8.697 -1.114 25653 1483 1 15 . 1 1 6 6 GLU HA H 6 3.540 3.540 4.465 -0.925 25653 1484 1 15 . 1 1 6 6 GLU CA C 6 56.986 56.986 56.301 0.685 25653 1485 1 15 . 1 1 6 6 GLU CB C 6 28.177 28.177 29.015 -0.838 25653 1486 1 15 . 1 1 6 6 GLU H H 6 8.031 8.031 8.514 -0.483 25653 1487 1 15 . 1 1 7 7 GLY CA C 7 44.986 44.986 45.016 -0.030 25653 1488 1 15 . 1 1 7 7 GLY H H 7 8.854 8.854 8.595 0.259 25653 1489 1 15 . 1 1 8 8 GLU HA H 8 4.465 4.465 4.704 -0.239 25653 1490 1 15 . 1 1 8 8 GLU CA C 8 52.956 52.956 54.365 -1.409 25653 1491 1 15 . 1 1 8 8 GLU CB C 8 29.773 29.773 32.661 -2.888 25653 1492 1 15 . 1 1 8 8 GLU H H 8 7.819 7.819 7.738 0.081 25653 1493 1 15 . 1 1 9 9 SER HA H 9 5.080 5.080 5.134 -0.054 25653 1494 1 15 . 1 1 9 9 SER CA C 9 56.778 56.778 58.054 -1.276 25653 1495 1 15 . 1 1 9 9 SER CB C 9 64.205 64.205 63.902 0.303 25653 1496 1 15 . 1 1 9 9 SER H H 9 8.284 8.284 8.587 -0.303 25653 1497 1 15 . 1 1 10 10 CYS HA H 10 5.468 5.468 5.356 0.112 25653 1498 1 15 . 1 1 10 10 CYS CA C 10 53.695 53.695 56.493 -2.798 25653 1499 1 15 . 1 1 10 10 CYS CB C 10 45.676 45.676 26.456 19.220 25653 1500 1 15 . 1 1 10 10 CYS H H 10 7.377 7.377 8.348 -0.971 25653 1501 1 15 . 1 1 11 11 GLU HA H 11 3.903 3.903 4.200 -0.297 25653 1502 1 15 . 1 1 11 11 GLU CA C 11 57.575 57.575 58.317 -0.742 25653 1503 1 15 . 1 1 11 11 GLU CB C 11 28.668 28.668 29.403 -0.735 25653 1504 1 15 . 1 1 11 11 GLU H H 11 7.544 7.544 8.419 -0.875 25653 1505 1 15 . 1 1 12 12 VAL HA H 12 3.893 3.893 4.105 -0.212 25653 1506 1 15 . 1 1 12 12 VAL CA C 12 61.433 61.433 63.015 -1.582 25653 1507 1 15 . 1 1 12 12 VAL CB C 12 32.771 32.771 33.351 -0.580 25653 1508 1 15 . 1 1 12 12 VAL H H 12 7.536 7.536 7.737 -0.201 25653 1509 1 15 . 1 1 13 13 TYR HA H 13 4.603 4.603 4.962 -0.359 25653 1510 1 15 . 1 1 13 13 TYR CA C 13 55.557 55.557 55.727 -0.170 25653 1511 1 15 . 1 1 13 13 TYR CB C 13 38.917 38.917 40.454 -1.537 25653 1512 1 15 . 1 1 13 13 TYR H H 13 7.213 7.213 8.034 -0.821 25653 1513 1 15 . 1 1 14 14 PRO HA H 14 4.541 4.541 4.603 -0.062 25653 1514 1 15 . 1 1 14 14 PRO CA C 14 60.415 60.415 62.494 -2.079 25653 1515 1 15 . 1 1 14 14 PRO CB C 14 31.595 31.595 33.169 -1.574 25653 1516 1 15 . 1 1 15 15 CYS HA H 15 4.925 4.925 5.627 -0.702 25653 1517 1 15 . 1 1 15 15 CYS CA C 15 54.229 54.229 58.794 -4.565 25653 1518 1 15 . 1 1 15 15 CYS CB C 15 39.173 39.173 28.816 10.357 25653 1519 1 15 . 1 1 15 15 CYS H H 15 8.986 8.986 8.554 0.432 25653 1520 1 15 . 1 1 16 16 CYS HA H 16 4.423 4.423 4.539 -0.116 25653 1521 1 15 . 1 1 16 16 CYS CA C 16 52.994 52.994 59.929 -6.935 25653 1522 1 15 . 1 1 16 16 CYS CB C 16 40.662 40.662 28.192 12.470 25653 1523 1 15 . 1 1 16 16 CYS H H 16 9.018 9.018 8.950 0.068 25653 1524 1 15 . 1 1 17 17 ASP HA H 17 4.218 4.218 4.616 -0.398 25653 1525 1 15 . 1 1 17 17 ASP CA C 17 51.378 51.378 55.314 -3.936 25653 1526 1 15 . 1 1 17 17 ASP CB C 17 37.397 37.397 40.423 -3.026 25653 1527 1 15 . 1 1 17 17 ASP H H 17 9.414 9.414 8.306 1.108 25653 1528 1 15 . 1 1 18 18 GLY CA C 18 43.836 43.836 45.173 -1.337 25653 1529 1 15 . 1 1 19 19 LEU HA H 19 4.130 4.130 4.546 -0.416 25653 1530 1 15 . 1 1 19 19 LEU CA C 19 53.875 53.875 54.383 -0.508 25653 1531 1 15 . 1 1 19 19 LEU CB C 19 41.530 41.530 43.132 -1.602 25653 1532 1 15 . 1 1 19 19 LEU H H 19 6.878 6.878 7.707 -0.829 25653 1533 1 15 . 1 1 20 20 ILE HA H 20 4.015 4.015 4.221 -0.206 25653 1534 1 15 . 1 1 20 20 ILE CA C 20 57.950 57.950 60.173 -2.224 25653 1535 1 15 . 1 1 20 20 ILE CB C 20 40.182 40.182 41.004 -0.822 25653 1536 1 15 . 1 1 20 20 ILE H H 20 8.102 8.102 8.437 -0.335 25653 1537 1 15 . 1 1 21 21 CYS HA H 21 4.735 4.735 4.932 -0.197 25653 1538 1 15 . 1 1 21 21 CYS CA C 21 53.258 53.258 58.794 -5.536 25653 1539 1 15 . 1 1 21 21 CYS CB C 21 38.612 38.612 25.412 13.200 25653 1540 1 15 . 1 1 21 21 CYS H H 21 8.516 8.516 8.684 -0.168 25653 1541 1 15 . 1 1 22 22 TYR HA H 22 4.404 4.404 4.645 -0.241 25653 1542 1 15 . 1 1 22 22 TYR CA C 22 56.386 56.386 56.517 -0.131 25653 1543 1 15 . 1 1 22 22 TYR CB C 22 39.225 39.225 39.134 0.091 25653 1544 1 15 . 1 1 22 22 TYR H H 22 8.859 8.859 9.402 -0.543 25653 1545 1 15 . 1 1 23 23 PRO HA H 23 4.510 4.510 4.441 0.069 25653 1546 1 15 . 1 1 23 23 PRO CA C 23 61.466 61.466 62.790 -1.324 25653 1547 1 15 . 1 1 23 23 PRO CB C 23 27.705 27.705 29.952 -2.247 25653 1548 1 15 . 1 1 24 24 THR HA H 24 4.994 4.994 4.524 0.470 25653 1549 1 15 . 1 1 24 24 THR CA C 24 60.198 60.198 61.102 -0.904 25653 1550 1 15 . 1 1 24 24 THR CB C 24 68.850 68.850 70.838 -1.988 25653 1551 1 15 . 1 1 24 24 THR H H 24 7.959 7.959 8.170 -0.211 25653 1552 1 15 . 1 1 25 25 PHE HA H 25 4.594 4.594 4.916 -0.322 25653 1553 1 15 . 1 1 25 25 PHE CA C 25 53.270 53.270 55.087 -1.817 25653 1554 1 15 . 1 1 25 25 PHE CB C 25 41.647 41.647 40.120 1.527 25653 1555 1 15 . 1 1 25 25 PHE H H 25 8.297 8.297 8.512 -0.215 25653 1556 1 15 . 1 1 26 26 PRO HA H 26 3.626 3.626 4.378 -0.752 25653 1557 1 15 . 1 1 26 26 PRO CA C 26 62.856 62.856 64.029 -1.173 25653 1558 1 15 . 1 1 26 26 PRO CB C 26 33.648 33.648 31.878 1.770 25653 1559 1 15 . 1 1 27 27 GLU HA H 27 4.744 4.744 4.468 0.276 25653 1560 1 15 . 1 1 27 27 GLU CA C 27 51.119 51.119 52.739 -1.620 25653 1561 1 15 . 1 1 27 27 GLU CB C 27 28.919 28.919 30.565 -1.646 25653 1562 1 15 . 1 1 27 27 GLU H H 27 7.227 7.227 8.027 -0.800 25653 1563 1 15 . 1 1 28 28 PRO HA H 28 4.897 4.897 4.734 0.163 25653 1564 1 15 . 1 1 28 28 PRO CA C 28 62.335 62.335 62.764 -0.429 25653 1565 1 15 . 1 1 28 28 PRO CB C 28 32.209 32.209 32.588 -0.379 25653 1566 1 15 . 1 1 29 29 ILE HA H 29 4.901 4.901 4.868 0.033 25653 1567 1 15 . 1 1 29 29 ILE CA C 29 57.862 57.862 57.880 -0.018 25653 1568 1 15 . 1 1 29 29 ILE CB C 29 42.462 42.462 41.256 1.206 25653 1569 1 15 . 1 1 29 29 ILE H H 29 7.717 7.717 7.885 -0.168 25653 1570 1 15 . 1 1 30 30 CYS HA H 30 5.485 5.485 5.160 0.325 25653 1571 1 15 . 1 1 30 30 CYS CA C 30 54.566 54.566 58.568 -4.002 25653 1572 1 15 . 1 1 30 30 CYS CB C 30 40.404 40.404 26.508 13.896 25653 1573 1 15 . 1 1 30 30 CYS H H 30 8.439 8.439 8.436 0.003 25653 1574 1 15 . 1 1 31 31 GLY CA C 31 44.788 44.788 45.285 -0.497 25653 1575 1 15 . 1 1 31 31 GLY H H 31 9.902 9.902 9.251 0.651 25653 1576 1 16 . 1 1 3 3 CYS HA H 3 4.989 4.989 4.806 0.183 25653 1577 1 16 . 1 1 3 3 CYS CA C 3 52.524 52.524 56.742 -4.218 25653 1578 1 16 . 1 1 3 3 CYS CB C 3 43.609 43.609 31.693 11.916 25653 1579 1 16 . 1 1 3 3 CYS H H 3 7.762 7.762 7.664 0.098 25653 1580 1 16 . 1 1 4 4 ALA HA H 4 4.326 4.326 4.661 -0.335 25653 1581 1 16 . 1 1 4 4 ALA CA C 4 50.194 50.194 51.392 -1.198 25653 1582 1 16 . 1 1 4 4 ALA CB C 4 20.591 20.591 19.756 0.835 25653 1583 1 16 . 1 1 4 4 ALA H H 4 9.027 9.027 8.598 0.429 25653 1584 1 16 . 1 1 5 5 GLU HA H 5 4.026 4.026 4.349 -0.323 25653 1585 1 16 . 1 1 5 5 GLU CA C 5 53.176 53.176 55.068 -1.892 25653 1586 1 16 . 1 1 5 5 GLU CB C 5 29.310 29.310 30.585 -1.275 25653 1587 1 16 . 1 1 5 5 GLU H H 5 7.583 7.583 8.706 -1.123 25653 1588 1 16 . 1 1 6 6 GLU HA H 6 3.540 3.540 4.445 -0.905 25653 1589 1 16 . 1 1 6 6 GLU CA C 6 56.986 56.986 56.132 0.854 25653 1590 1 16 . 1 1 6 6 GLU CB C 6 28.177 28.177 28.462 -0.285 25653 1591 1 16 . 1 1 6 6 GLU H H 6 8.031 8.031 8.472 -0.441 25653 1592 1 16 . 1 1 7 7 GLY CA C 7 44.986 44.986 45.017 -0.031 25653 1593 1 16 . 1 1 7 7 GLY H H 7 8.854 8.854 8.458 0.396 25653 1594 1 16 . 1 1 8 8 GLU HA H 8 4.465 4.465 4.750 -0.285 25653 1595 1 16 . 1 1 8 8 GLU CA C 8 52.956 52.956 54.058 -1.102 25653 1596 1 16 . 1 1 8 8 GLU CB C 8 29.773 29.773 32.182 -2.409 25653 1597 1 16 . 1 1 8 8 GLU H H 8 7.819 7.819 7.727 0.092 25653 1598 1 16 . 1 1 9 9 SER HA H 9 5.080 5.080 5.158 -0.078 25653 1599 1 16 . 1 1 9 9 SER CA C 9 56.778 56.778 57.840 -1.062 25653 1600 1 16 . 1 1 9 9 SER CB C 9 64.205 64.205 63.491 0.714 25653 1601 1 16 . 1 1 9 9 SER H H 9 8.284 8.284 8.571 -0.287 25653 1602 1 16 . 1 1 10 10 CYS HA H 10 5.468 5.468 5.376 0.092 25653 1603 1 16 . 1 1 10 10 CYS CA C 10 53.695 53.695 56.642 -2.947 25653 1604 1 16 . 1 1 10 10 CYS CB C 10 45.676 45.676 26.379 19.297 25653 1605 1 16 . 1 1 10 10 CYS H H 10 7.377 7.377 8.228 -0.851 25653 1606 1 16 . 1 1 11 11 GLU HA H 11 3.903 3.903 4.194 -0.291 25653 1607 1 16 . 1 1 11 11 GLU CA C 11 57.575 57.575 58.332 -0.757 25653 1608 1 16 . 1 1 11 11 GLU CB C 11 28.668 28.668 29.156 -0.488 25653 1609 1 16 . 1 1 11 11 GLU H H 11 7.544 7.544 8.423 -0.879 25653 1610 1 16 . 1 1 12 12 VAL HA H 12 3.893 3.893 4.134 -0.241 25653 1611 1 16 . 1 1 12 12 VAL CA C 12 61.433 61.433 62.997 -1.564 25653 1612 1 16 . 1 1 12 12 VAL CB C 12 32.771 32.771 33.620 -0.849 25653 1613 1 16 . 1 1 12 12 VAL H H 12 7.536 7.536 7.717 -0.181 25653 1614 1 16 . 1 1 13 13 TYR HA H 13 4.603 4.603 4.965 -0.362 25653 1615 1 16 . 1 1 13 13 TYR CA C 13 55.557 55.557 55.767 -0.210 25653 1616 1 16 . 1 1 13 13 TYR CB C 13 38.917 38.917 40.632 -1.715 25653 1617 1 16 . 1 1 13 13 TYR H H 13 7.213 7.213 8.020 -0.807 25653 1618 1 16 . 1 1 14 14 PRO HA H 14 4.541 4.541 4.556 -0.015 25653 1619 1 16 . 1 1 14 14 PRO CA C 14 60.415 60.415 62.631 -2.216 25653 1620 1 16 . 1 1 14 14 PRO CB C 14 31.595 31.595 33.214 -1.619 25653 1621 1 16 . 1 1 15 15 CYS HA H 15 4.925 4.925 5.577 -0.652 25653 1622 1 16 . 1 1 15 15 CYS CA C 15 54.229 54.229 58.891 -4.662 25653 1623 1 16 . 1 1 15 15 CYS CB C 15 39.173 39.173 28.655 10.518 25653 1624 1 16 . 1 1 15 15 CYS H H 15 8.986 8.986 8.570 0.416 25653 1625 1 16 . 1 1 16 16 CYS HA H 16 4.423 4.423 4.592 -0.169 25653 1626 1 16 . 1 1 16 16 CYS CA C 16 52.994 52.994 60.377 -7.383 25653 1627 1 16 . 1 1 16 16 CYS CB C 16 40.662 40.662 28.342 12.320 25653 1628 1 16 . 1 1 16 16 CYS H H 16 9.018 9.018 9.040 -0.022 25653 1629 1 16 . 1 1 17 17 ASP HA H 17 4.218 4.218 4.624 -0.406 25653 1630 1 16 . 1 1 17 17 ASP CA C 17 51.378 51.378 54.952 -3.574 25653 1631 1 16 . 1 1 17 17 ASP CB C 17 37.397 37.397 40.458 -3.061 25653 1632 1 16 . 1 1 17 17 ASP H H 17 9.414 9.414 8.311 1.103 25653 1633 1 16 . 1 1 18 18 GLY CA C 18 43.836 43.836 45.178 -1.342 25653 1634 1 16 . 1 1 19 19 LEU HA H 19 4.130 4.130 4.585 -0.455 25653 1635 1 16 . 1 1 19 19 LEU CA C 19 53.875 53.875 54.346 -0.471 25653 1636 1 16 . 1 1 19 19 LEU CB C 19 41.530 41.530 43.265 -1.735 25653 1637 1 16 . 1 1 19 19 LEU H H 19 6.878 6.878 7.707 -0.829 25653 1638 1 16 . 1 1 20 20 ILE HA H 20 4.015 4.015 4.225 -0.210 25653 1639 1 16 . 1 1 20 20 ILE CA C 20 57.950 57.950 59.971 -2.021 25653 1640 1 16 . 1 1 20 20 ILE CB C 20 40.182 40.182 41.041 -0.859 25653 1641 1 16 . 1 1 20 20 ILE H H 20 8.102 8.102 8.433 -0.331 25653 1642 1 16 . 1 1 21 21 CYS HA H 21 4.735 4.735 4.902 -0.167 25653 1643 1 16 . 1 1 21 21 CYS CA C 21 53.258 53.258 58.971 -5.713 25653 1644 1 16 . 1 1 21 21 CYS CB C 21 38.612 38.612 25.334 13.278 25653 1645 1 16 . 1 1 21 21 CYS H H 21 8.516 8.516 8.690 -0.174 25653 1646 1 16 . 1 1 22 22 TYR HA H 22 4.404 4.404 4.643 -0.239 25653 1647 1 16 . 1 1 22 22 TYR CA C 22 56.386 56.386 56.530 -0.144 25653 1648 1 16 . 1 1 22 22 TYR CB C 22 39.225 39.225 39.127 0.098 25653 1649 1 16 . 1 1 22 22 TYR H H 22 8.859 8.859 9.429 -0.570 25653 1650 1 16 . 1 1 23 23 PRO HA H 23 4.510 4.510 4.420 0.090 25653 1651 1 16 . 1 1 23 23 PRO CA C 23 61.466 61.466 62.834 -1.368 25653 1652 1 16 . 1 1 23 23 PRO CB C 23 27.705 27.705 29.851 -2.146 25653 1653 1 16 . 1 1 24 24 THR HA H 24 4.994 4.994 4.587 0.407 25653 1654 1 16 . 1 1 24 24 THR CA C 24 60.198 60.198 61.196 -0.998 25653 1655 1 16 . 1 1 24 24 THR CB C 24 68.850 68.850 70.950 -2.100 25653 1656 1 16 . 1 1 24 24 THR H H 24 7.959 7.959 8.078 -0.119 25653 1657 1 16 . 1 1 25 25 PHE HA H 25 4.594 4.594 4.874 -0.280 25653 1658 1 16 . 1 1 25 25 PHE CA C 25 53.270 53.270 55.057 -1.787 25653 1659 1 16 . 1 1 25 25 PHE CB C 25 41.647 41.647 40.194 1.453 25653 1660 1 16 . 1 1 25 25 PHE H H 25 8.297 8.297 8.492 -0.195 25653 1661 1 16 . 1 1 26 26 PRO HA H 26 3.626 3.626 4.366 -0.740 25653 1662 1 16 . 1 1 26 26 PRO CA C 26 62.856 62.856 64.276 -1.420 25653 1663 1 16 . 1 1 26 26 PRO CB C 26 33.648 33.648 31.818 1.830 25653 1664 1 16 . 1 1 27 27 GLU HA H 27 4.744 4.744 4.488 0.256 25653 1665 1 16 . 1 1 27 27 GLU CA C 27 51.119 51.119 52.719 -1.600 25653 1666 1 16 . 1 1 27 27 GLU CB C 27 28.919 28.919 30.177 -1.258 25653 1667 1 16 . 1 1 27 27 GLU H H 27 7.227 7.227 8.109 -0.882 25653 1668 1 16 . 1 1 28 28 PRO HA H 28 4.897 4.897 4.761 0.136 25653 1669 1 16 . 1 1 28 28 PRO CA C 28 62.335 62.335 62.791 -0.456 25653 1670 1 16 . 1 1 28 28 PRO CB C 28 32.209 32.209 32.516 -0.307 25653 1671 1 16 . 1 1 29 29 ILE HA H 29 4.901 4.901 4.842 0.059 25653 1672 1 16 . 1 1 29 29 ILE CA C 29 57.862 57.862 57.902 -0.040 25653 1673 1 16 . 1 1 29 29 ILE CB C 29 42.462 42.462 41.095 1.367 25653 1674 1 16 . 1 1 29 29 ILE H H 29 7.717 7.717 7.908 -0.191 25653 1675 1 16 . 1 1 30 30 CYS HA H 30 5.485 5.485 5.066 0.419 25653 1676 1 16 . 1 1 30 30 CYS CA C 30 54.566 54.566 58.610 -4.044 25653 1677 1 16 . 1 1 30 30 CYS CB C 30 40.404 40.404 26.451 13.953 25653 1678 1 16 . 1 1 30 30 CYS H H 30 8.439 8.439 8.429 0.010 25653 1679 1 16 . 1 1 31 31 GLY CA C 31 44.788 44.788 45.256 -0.468 25653 1680 1 16 . 1 1 31 31 GLY H H 31 9.902 9.902 9.213 0.689 25653 1681 1 17 . 1 1 3 3 CYS HA H 3 4.989 4.989 4.805 0.184 25653 1682 1 17 . 1 1 3 3 CYS CA C 3 52.524 52.524 56.733 -4.210 25653 1683 1 17 . 1 1 3 3 CYS CB C 3 43.609 43.609 31.694 11.915 25653 1684 1 17 . 1 1 3 3 CYS H H 3 7.762 7.762 7.683 0.079 25653 1685 1 17 . 1 1 4 4 ALA HA H 4 4.326 4.326 4.663 -0.337 25653 1686 1 17 . 1 1 4 4 ALA CA C 4 50.194 50.194 51.385 -1.191 25653 1687 1 17 . 1 1 4 4 ALA CB C 4 20.591 20.591 19.782 0.809 25653 1688 1 17 . 1 1 4 4 ALA H H 4 9.027 9.027 8.604 0.423 25653 1689 1 17 . 1 1 5 5 GLU HA H 5 4.026 4.026 4.406 -0.380 25653 1690 1 17 . 1 1 5 5 GLU CA C 5 53.176 53.176 55.060 -1.884 25653 1691 1 17 . 1 1 5 5 GLU CB C 5 29.310 29.310 30.591 -1.282 25653 1692 1 17 . 1 1 5 5 GLU H H 5 7.583 7.583 8.677 -1.094 25653 1693 1 17 . 1 1 6 6 GLU HA H 6 3.540 3.540 4.505 -0.965 25653 1694 1 17 . 1 1 6 6 GLU CA C 6 56.986 56.986 56.704 0.282 25653 1695 1 17 . 1 1 6 6 GLU CB C 6 28.177 28.177 29.319 -1.142 25653 1696 1 17 . 1 1 6 6 GLU H H 6 8.031 8.031 8.479 -0.448 25653 1697 1 17 . 1 1 7 7 GLY CA C 7 44.986 44.986 45.062 -0.076 25653 1698 1 17 . 1 1 7 7 GLY H H 7 8.854 8.854 8.563 0.291 25653 1699 1 17 . 1 1 8 8 GLU HA H 8 4.465 4.465 4.754 -0.289 25653 1700 1 17 . 1 1 8 8 GLU CA C 8 52.956 52.956 54.026 -1.070 25653 1701 1 17 . 1 1 8 8 GLU CB C 8 29.773 29.773 32.144 -2.370 25653 1702 1 17 . 1 1 8 8 GLU H H 8 7.819 7.819 7.722 0.097 25653 1703 1 17 . 1 1 9 9 SER HA H 9 5.080 5.080 5.168 -0.088 25653 1704 1 17 . 1 1 9 9 SER CA C 9 56.778 56.778 57.645 -0.867 25653 1705 1 17 . 1 1 9 9 SER CB C 9 64.205 64.205 63.404 0.801 25653 1706 1 17 . 1 1 9 9 SER H H 9 8.284 8.284 8.567 -0.283 25653 1707 1 17 . 1 1 10 10 CYS HA H 10 5.468 5.468 5.394 0.074 25653 1708 1 17 . 1 1 10 10 CYS CA C 10 53.695 53.695 56.638 -2.943 25653 1709 1 17 . 1 1 10 10 CYS CB C 10 45.676 45.676 26.349 19.327 25653 1710 1 17 . 1 1 10 10 CYS H H 10 7.377 7.377 8.243 -0.866 25653 1711 1 17 . 1 1 11 11 GLU HA H 11 3.903 3.903 4.201 -0.298 25653 1712 1 17 . 1 1 11 11 GLU CA C 11 57.575 57.575 58.355 -0.780 25653 1713 1 17 . 1 1 11 11 GLU CB C 11 28.668 28.668 29.190 -0.522 25653 1714 1 17 . 1 1 11 11 GLU H H 11 7.544 7.544 8.433 -0.889 25653 1715 1 17 . 1 1 12 12 VAL HA H 12 3.893 3.893 4.130 -0.237 25653 1716 1 17 . 1 1 12 12 VAL CA C 12 61.433 61.433 63.007 -1.574 25653 1717 1 17 . 1 1 12 12 VAL CB C 12 32.771 32.771 33.584 -0.813 25653 1718 1 17 . 1 1 12 12 VAL H H 12 7.536 7.536 7.728 -0.192 25653 1719 1 17 . 1 1 13 13 TYR HA H 13 4.603 4.603 4.966 -0.363 25653 1720 1 17 . 1 1 13 13 TYR CA C 13 55.557 55.557 55.755 -0.198 25653 1721 1 17 . 1 1 13 13 TYR CB C 13 38.917 38.917 40.603 -1.686 25653 1722 1 17 . 1 1 13 13 TYR H H 13 7.213 7.213 8.030 -0.817 25653 1723 1 17 . 1 1 14 14 PRO HA H 14 4.541 4.541 4.559 -0.018 25653 1724 1 17 . 1 1 14 14 PRO CA C 14 60.415 60.415 62.634 -2.219 25653 1725 1 17 . 1 1 14 14 PRO CB C 14 31.595 31.595 33.211 -1.616 25653 1726 1 17 . 1 1 15 15 CYS HA H 15 4.925 4.925 5.529 -0.604 25653 1727 1 17 . 1 1 15 15 CYS CA C 15 54.229 54.229 58.969 -4.740 25653 1728 1 17 . 1 1 15 15 CYS CB C 15 39.173 39.173 28.652 10.521 25653 1729 1 17 . 1 1 15 15 CYS H H 15 8.986 8.986 8.575 0.411 25653 1730 1 17 . 1 1 16 16 CYS HA H 16 4.423 4.423 4.575 -0.152 25653 1731 1 17 . 1 1 16 16 CYS CA C 16 52.994 52.994 60.116 -7.122 25653 1732 1 17 . 1 1 16 16 CYS CB C 16 40.662 40.662 28.418 12.244 25653 1733 1 17 . 1 1 16 16 CYS H H 16 9.018 9.018 8.954 0.064 25653 1734 1 17 . 1 1 17 17 ASP HA H 17 4.218 4.218 4.613 -0.395 25653 1735 1 17 . 1 1 17 17 ASP CA C 17 51.378 51.378 55.342 -3.964 25653 1736 1 17 . 1 1 17 17 ASP CB C 17 37.397 37.397 40.433 -3.036 25653 1737 1 17 . 1 1 17 17 ASP H H 17 9.414 9.414 8.320 1.094 25653 1738 1 17 . 1 1 18 18 GLY CA C 18 43.836 43.836 45.145 -1.310 25653 1739 1 17 . 1 1 19 19 LEU HA H 19 4.130 4.130 4.350 -0.220 25653 1740 1 17 . 1 1 19 19 LEU CA C 19 53.875 53.875 54.634 -0.759 25653 1741 1 17 . 1 1 19 19 LEU CB C 19 41.530 41.530 42.805 -1.275 25653 1742 1 17 . 1 1 19 19 LEU H H 19 6.878 6.878 7.737 -0.859 25653 1743 1 17 . 1 1 20 20 ILE HA H 20 4.015 4.015 4.218 -0.203 25653 1744 1 17 . 1 1 20 20 ILE CA C 20 57.950 57.950 60.197 -2.247 25653 1745 1 17 . 1 1 20 20 ILE CB C 20 40.182 40.182 40.945 -0.763 25653 1746 1 17 . 1 1 20 20 ILE H H 20 8.102 8.102 8.416 -0.314 25653 1747 1 17 . 1 1 21 21 CYS HA H 21 4.735 4.735 4.919 -0.184 25653 1748 1 17 . 1 1 21 21 CYS CA C 21 53.258 53.258 58.801 -5.543 25653 1749 1 17 . 1 1 21 21 CYS CB C 21 38.612 38.612 25.406 13.206 25653 1750 1 17 . 1 1 21 21 CYS H H 21 8.516 8.516 8.689 -0.173 25653 1751 1 17 . 1 1 22 22 TYR HA H 22 4.404 4.404 4.642 -0.238 25653 1752 1 17 . 1 1 22 22 TYR CA C 22 56.386 56.386 56.536 -0.150 25653 1753 1 17 . 1 1 22 22 TYR CB C 22 39.225 39.225 39.130 0.094 25653 1754 1 17 . 1 1 22 22 TYR H H 22 8.859 8.859 9.412 -0.553 25653 1755 1 17 . 1 1 23 23 PRO HA H 23 4.510 4.510 4.432 0.078 25653 1756 1 17 . 1 1 23 23 PRO CA C 23 61.466 61.466 62.995 -1.529 25653 1757 1 17 . 1 1 23 23 PRO CB C 23 27.705 27.705 29.549 -1.844 25653 1758 1 17 . 1 1 24 24 THR HA H 24 4.994 4.994 4.562 0.432 25653 1759 1 17 . 1 1 24 24 THR CA C 24 60.198 60.198 60.900 -0.702 25653 1760 1 17 . 1 1 24 24 THR CB C 24 68.850 68.850 70.911 -2.061 25653 1761 1 17 . 1 1 24 24 THR H H 24 7.959 7.959 8.072 -0.113 25653 1762 1 17 . 1 1 25 25 PHE HA H 25 4.594 4.594 4.914 -0.320 25653 1763 1 17 . 1 1 25 25 PHE CA C 25 53.270 53.270 55.039 -1.769 25653 1764 1 17 . 1 1 25 25 PHE CB C 25 41.647 41.647 40.108 1.539 25653 1765 1 17 . 1 1 25 25 PHE H H 25 8.297 8.297 8.599 -0.302 25653 1766 1 17 . 1 1 26 26 PRO HA H 26 3.626 3.626 4.379 -0.753 25653 1767 1 17 . 1 1 26 26 PRO CA C 26 62.856 62.856 64.035 -1.179 25653 1768 1 17 . 1 1 26 26 PRO CB C 26 33.648 33.648 31.878 1.770 25653 1769 1 17 . 1 1 27 27 GLU HA H 27 4.744 4.744 4.492 0.252 25653 1770 1 17 . 1 1 27 27 GLU CA C 27 51.119 51.119 52.750 -1.631 25653 1771 1 17 . 1 1 27 27 GLU CB C 27 28.919 28.919 30.357 -1.438 25653 1772 1 17 . 1 1 27 27 GLU H H 27 7.227 7.227 8.040 -0.813 25653 1773 1 17 . 1 1 28 28 PRO HA H 28 4.897 4.897 4.763 0.134 25653 1774 1 17 . 1 1 28 28 PRO CA C 28 62.335 62.335 62.798 -0.463 25653 1775 1 17 . 1 1 28 28 PRO CB C 28 32.209 32.209 32.509 -0.300 25653 1776 1 17 . 1 1 29 29 ILE HA H 29 4.901 4.901 4.862 0.039 25653 1777 1 17 . 1 1 29 29 ILE CA C 29 57.862 57.862 57.861 0.001 25653 1778 1 17 . 1 1 29 29 ILE CB C 29 42.462 42.462 41.119 1.343 25653 1779 1 17 . 1 1 29 29 ILE H H 29 7.717 7.717 7.893 -0.176 25653 1780 1 17 . 1 1 30 30 CYS HA H 30 5.485 5.485 5.134 0.351 25653 1781 1 17 . 1 1 30 30 CYS CA C 30 54.566 54.566 58.571 -4.005 25653 1782 1 17 . 1 1 30 30 CYS CB C 30 40.404 40.404 26.480 13.924 25653 1783 1 17 . 1 1 30 30 CYS H H 30 8.439 8.439 8.510 -0.071 25653 1784 1 17 . 1 1 31 31 GLY CA C 31 44.788 44.788 44.984 -0.196 25653 1785 1 17 . 1 1 31 31 GLY H H 31 9.902 9.902 9.365 0.537 25653 1786 1 18 . 1 1 3 3 CYS HA H 3 4.989 4.989 4.806 0.183 25653 1787 1 18 . 1 1 3 3 CYS CA C 3 52.524 52.524 56.763 -4.239 25653 1788 1 18 . 1 1 3 3 CYS CB C 3 43.609 43.609 31.689 11.920 25653 1789 1 18 . 1 1 3 3 CYS H H 3 7.762 7.762 7.659 0.103 25653 1790 1 18 . 1 1 4 4 ALA HA H 4 4.326 4.326 4.673 -0.347 25653 1791 1 18 . 1 1 4 4 ALA CA C 4 50.194 50.194 51.346 -1.152 25653 1792 1 18 . 1 1 4 4 ALA CB C 4 20.591 20.591 19.741 0.850 25653 1793 1 18 . 1 1 4 4 ALA H H 4 9.027 9.027 8.625 0.402 25653 1794 1 18 . 1 1 5 5 GLU HA H 5 4.026 4.026 4.344 -0.318 25653 1795 1 18 . 1 1 5 5 GLU CA C 5 53.176 53.176 55.095 -1.919 25653 1796 1 18 . 1 1 5 5 GLU CB C 5 29.310 29.310 30.557 -1.247 25653 1797 1 18 . 1 1 5 5 GLU H H 5 7.583 7.583 8.693 -1.110 25653 1798 1 18 . 1 1 6 6 GLU HA H 6 3.540 3.540 4.459 -0.919 25653 1799 1 18 . 1 1 6 6 GLU CA C 6 56.986 56.986 56.141 0.845 25653 1800 1 18 . 1 1 6 6 GLU CB C 6 28.177 28.177 28.451 -0.274 25653 1801 1 18 . 1 1 6 6 GLU H H 6 8.031 8.031 8.476 -0.445 25653 1802 1 18 . 1 1 7 7 GLY CA C 7 44.986 44.986 44.908 0.078 25653 1803 1 18 . 1 1 7 7 GLY H H 7 8.854 8.854 8.595 0.259 25653 1804 1 18 . 1 1 8 8 GLU HA H 8 4.465 4.465 4.774 -0.309 25653 1805 1 18 . 1 1 8 8 GLU CA C 8 52.956 52.956 54.705 -1.749 25653 1806 1 18 . 1 1 8 8 GLU CB C 8 29.773 29.773 32.357 -2.584 25653 1807 1 18 . 1 1 8 8 GLU H H 8 7.819 7.819 7.644 0.175 25653 1808 1 18 . 1 1 9 9 SER HA H 9 5.080 5.080 5.167 -0.087 25653 1809 1 18 . 1 1 9 9 SER CA C 9 56.778 56.778 58.459 -1.681 25653 1810 1 18 . 1 1 9 9 SER CB C 9 64.205 64.205 63.814 0.391 25653 1811 1 18 . 1 1 9 9 SER H H 9 8.284 8.284 8.596 -0.312 25653 1812 1 18 . 1 1 10 10 CYS HA H 10 5.468 5.468 5.409 0.059 25653 1813 1 18 . 1 1 10 10 CYS CA C 10 53.695 53.695 56.608 -2.913 25653 1814 1 18 . 1 1 10 10 CYS CB C 10 45.676 45.676 26.275 19.401 25653 1815 1 18 . 1 1 10 10 CYS H H 10 7.377 7.377 8.324 -0.947 25653 1816 1 18 . 1 1 11 11 GLU HA H 11 3.903 3.903 4.205 -0.302 25653 1817 1 18 . 1 1 11 11 GLU CA C 11 57.575 57.575 58.312 -0.737 25653 1818 1 18 . 1 1 11 11 GLU CB C 11 28.668 28.668 29.183 -0.515 25653 1819 1 18 . 1 1 11 11 GLU H H 11 7.544 7.544 8.425 -0.881 25653 1820 1 18 . 1 1 12 12 VAL HA H 12 3.893 3.893 4.136 -0.243 25653 1821 1 18 . 1 1 12 12 VAL CA C 12 61.433 61.433 63.010 -1.577 25653 1822 1 18 . 1 1 12 12 VAL CB C 12 32.771 32.771 33.626 -0.855 25653 1823 1 18 . 1 1 12 12 VAL H H 12 7.536 7.536 7.728 -0.192 25653 1824 1 18 . 1 1 13 13 TYR HA H 13 4.603 4.603 4.966 -0.363 25653 1825 1 18 . 1 1 13 13 TYR CA C 13 55.557 55.557 55.764 -0.207 25653 1826 1 18 . 1 1 13 13 TYR CB C 13 38.917 38.917 40.604 -1.687 25653 1827 1 18 . 1 1 13 13 TYR H H 13 7.213 7.213 8.029 -0.816 25653 1828 1 18 . 1 1 14 14 PRO HA H 14 4.541 4.541 4.553 -0.012 25653 1829 1 18 . 1 1 14 14 PRO CA C 14 60.415 60.415 62.645 -2.231 25653 1830 1 18 . 1 1 14 14 PRO CB C 14 31.595 31.595 33.193 -1.597 25653 1831 1 18 . 1 1 15 15 CYS HA H 15 4.925 4.925 5.607 -0.682 25653 1832 1 18 . 1 1 15 15 CYS CA C 15 54.229 54.229 58.912 -4.683 25653 1833 1 18 . 1 1 15 15 CYS CB C 15 39.173 39.173 28.649 10.524 25653 1834 1 18 . 1 1 15 15 CYS H H 15 8.986 8.986 8.575 0.411 25653 1835 1 18 . 1 1 16 16 CYS HA H 16 4.423 4.423 4.590 -0.167 25653 1836 1 18 . 1 1 16 16 CYS CA C 16 52.994 52.994 60.453 -7.459 25653 1837 1 18 . 1 1 16 16 CYS CB C 16 40.662 40.662 28.332 12.330 25653 1838 1 18 . 1 1 16 16 CYS H H 16 9.018 9.018 9.076 -0.058 25653 1839 1 18 . 1 1 17 17 ASP HA H 17 4.218 4.218 4.626 -0.408 25653 1840 1 18 . 1 1 17 17 ASP CA C 17 51.378 51.378 54.935 -3.557 25653 1841 1 18 . 1 1 17 17 ASP CB C 17 37.397 37.397 40.479 -3.082 25653 1842 1 18 . 1 1 17 17 ASP H H 17 9.414 9.414 8.305 1.109 25653 1843 1 18 . 1 1 18 18 GLY CA C 18 43.836 43.836 45.176 -1.340 25653 1844 1 18 . 1 1 19 19 LEU HA H 19 4.130 4.130 4.540 -0.410 25653 1845 1 18 . 1 1 19 19 LEU CA C 19 53.875 53.875 54.382 -0.507 25653 1846 1 18 . 1 1 19 19 LEU CB C 19 41.530 41.530 43.128 -1.598 25653 1847 1 18 . 1 1 19 19 LEU H H 19 6.878 6.878 7.710 -0.832 25653 1848 1 18 . 1 1 20 20 ILE HA H 20 4.015 4.015 4.216 -0.201 25653 1849 1 18 . 1 1 20 20 ILE CA C 20 57.950 57.950 60.213 -2.263 25653 1850 1 18 . 1 1 20 20 ILE CB C 20 40.182 40.182 40.931 -0.749 25653 1851 1 18 . 1 1 20 20 ILE H H 20 8.102 8.102 8.416 -0.314 25653 1852 1 18 . 1 1 21 21 CYS HA H 21 4.735 4.735 4.933 -0.198 25653 1853 1 18 . 1 1 21 21 CYS CA C 21 53.258 53.258 58.780 -5.522 25653 1854 1 18 . 1 1 21 21 CYS CB C 21 38.612 38.612 25.432 13.180 25653 1855 1 18 . 1 1 21 21 CYS H H 21 8.516 8.516 8.677 -0.161 25653 1856 1 18 . 1 1 22 22 TYR HA H 22 4.404 4.404 4.649 -0.245 25653 1857 1 18 . 1 1 22 22 TYR CA C 22 56.386 56.386 56.502 -0.116 25653 1858 1 18 . 1 1 22 22 TYR CB C 22 39.225 39.225 39.149 0.076 25653 1859 1 18 . 1 1 22 22 TYR H H 22 8.859 8.859 9.409 -0.550 25653 1860 1 18 . 1 1 23 23 PRO HA H 23 4.510 4.510 4.442 0.068 25653 1861 1 18 . 1 1 23 23 PRO CA C 23 61.466 61.466 62.804 -1.338 25653 1862 1 18 . 1 1 23 23 PRO CB C 23 27.705 27.705 29.957 -2.252 25653 1863 1 18 . 1 1 24 24 THR HA H 24 4.994 4.994 4.526 0.468 25653 1864 1 18 . 1 1 24 24 THR CA C 24 60.198 60.198 61.063 -0.865 25653 1865 1 18 . 1 1 24 24 THR CB C 24 68.850 68.850 70.873 -2.023 25653 1866 1 18 . 1 1 24 24 THR H H 24 7.959 7.959 8.176 -0.217 25653 1867 1 18 . 1 1 25 25 PHE HA H 25 4.594 4.594 4.920 -0.326 25653 1868 1 18 . 1 1 25 25 PHE CA C 25 53.270 53.270 55.000 -1.730 25653 1869 1 18 . 1 1 25 25 PHE CB C 25 41.647 41.647 40.252 1.395 25653 1870 1 18 . 1 1 25 25 PHE H H 25 8.297 8.297 8.499 -0.202 25653 1871 1 18 . 1 1 26 26 PRO HA H 26 3.626 3.626 4.365 -0.739 25653 1872 1 18 . 1 1 26 26 PRO CA C 26 62.856 62.856 64.280 -1.424 25653 1873 1 18 . 1 1 26 26 PRO CB C 26 33.648 33.648 31.818 1.830 25653 1874 1 18 . 1 1 27 27 GLU HA H 27 4.744 4.744 4.481 0.263 25653 1875 1 18 . 1 1 27 27 GLU CA C 27 51.119 51.119 52.751 -1.632 25653 1876 1 18 . 1 1 27 27 GLU CB C 27 28.919 28.919 30.035 -1.116 25653 1877 1 18 . 1 1 27 27 GLU H H 27 7.227 7.227 8.142 -0.915 25653 1878 1 18 . 1 1 28 28 PRO HA H 28 4.897 4.897 4.774 0.123 25653 1879 1 18 . 1 1 28 28 PRO CA C 28 62.335 62.335 62.820 -0.485 25653 1880 1 18 . 1 1 28 28 PRO CB C 28 32.209 32.209 32.542 -0.333 25653 1881 1 18 . 1 1 29 29 ILE HA H 29 4.901 4.901 4.873 0.028 25653 1882 1 18 . 1 1 29 29 ILE CA C 29 57.862 57.862 57.845 0.017 25653 1883 1 18 . 1 1 29 29 ILE CB C 29 42.462 42.462 41.100 1.362 25653 1884 1 18 . 1 1 29 29 ILE H H 29 7.717 7.717 7.888 -0.171 25653 1885 1 18 . 1 1 30 30 CYS HA H 30 5.485 5.485 5.175 0.310 25653 1886 1 18 . 1 1 30 30 CYS CA C 30 54.566 54.566 58.545 -3.979 25653 1887 1 18 . 1 1 30 30 CYS CB C 30 40.404 40.404 26.542 13.862 25653 1888 1 18 . 1 1 30 30 CYS H H 30 8.439 8.439 8.441 -0.002 25653 1889 1 18 . 1 1 31 31 GLY CA C 31 44.788 44.788 45.308 -0.520 25653 1890 1 18 . 1 1 31 31 GLY H H 31 9.902 9.902 9.255 0.647 25653 1891 1 19 . 1 1 3 3 CYS HA H 3 4.989 4.989 4.807 0.182 25653 1892 1 19 . 1 1 3 3 CYS CA C 3 52.524 52.524 56.761 -4.237 25653 1893 1 19 . 1 1 3 3 CYS CB C 3 43.609 43.609 31.689 11.920 25653 1894 1 19 . 1 1 3 3 CYS H H 3 7.762 7.762 7.660 0.102 25653 1895 1 19 . 1 1 4 4 ALA HA H 4 4.326 4.326 4.676 -0.350 25653 1896 1 19 . 1 1 4 4 ALA CA C 4 50.194 50.194 51.348 -1.154 25653 1897 1 19 . 1 1 4 4 ALA CB C 4 20.591 20.591 19.780 0.811 25653 1898 1 19 . 1 1 4 4 ALA H H 4 9.027 9.027 8.623 0.405 25653 1899 1 19 . 1 1 5 5 GLU HA H 5 4.026 4.026 4.353 -0.327 25653 1900 1 19 . 1 1 5 5 GLU CA C 5 53.176 53.176 55.062 -1.885 25653 1901 1 19 . 1 1 5 5 GLU CB C 5 29.310 29.310 30.568 -1.258 25653 1902 1 19 . 1 1 5 5 GLU H H 5 7.583 7.583 8.784 -1.201 25653 1903 1 19 . 1 1 6 6 GLU HA H 6 3.540 3.540 4.464 -0.924 25653 1904 1 19 . 1 1 6 6 GLU CA C 6 56.986 56.986 56.173 0.813 25653 1905 1 19 . 1 1 6 6 GLU CB C 6 28.177 28.177 29.054 -0.877 25653 1906 1 19 . 1 1 6 6 GLU H H 6 8.031 8.031 8.523 -0.492 25653 1907 1 19 . 1 1 7 7 GLY CA C 7 44.986 44.986 45.012 -0.026 25653 1908 1 19 . 1 1 7 7 GLY H H 7 8.854 8.854 8.583 0.271 25653 1909 1 19 . 1 1 8 8 GLU HA H 8 4.465 4.465 4.706 -0.241 25653 1910 1 19 . 1 1 8 8 GLU CA C 8 52.956 52.956 54.269 -1.313 25653 1911 1 19 . 1 1 8 8 GLU CB C 8 29.773 29.773 32.466 -2.693 25653 1912 1 19 . 1 1 8 8 GLU H H 8 7.819 7.819 7.741 0.078 25653 1913 1 19 . 1 1 9 9 SER HA H 9 5.080 5.080 5.148 -0.068 25653 1914 1 19 . 1 1 9 9 SER CA C 9 56.778 56.778 58.358 -1.580 25653 1915 1 19 . 1 1 9 9 SER CB C 9 64.205 64.205 63.830 0.375 25653 1916 1 19 . 1 1 9 9 SER H H 9 8.284 8.284 8.608 -0.324 25653 1917 1 19 . 1 1 10 10 CYS HA H 10 5.468 5.468 5.421 0.047 25653 1918 1 19 . 1 1 10 10 CYS CA C 10 53.695 53.695 56.563 -2.868 25653 1919 1 19 . 1 1 10 10 CYS CB C 10 45.676 45.676 26.256 19.420 25653 1920 1 19 . 1 1 10 10 CYS H H 10 7.377 7.377 8.362 -0.985 25653 1921 1 19 . 1 1 11 11 GLU HA H 11 3.903 3.903 4.168 -0.265 25653 1922 1 19 . 1 1 11 11 GLU CA C 11 57.575 57.575 58.493 -0.918 25653 1923 1 19 . 1 1 11 11 GLU CB C 11 28.668 28.668 29.164 -0.496 25653 1924 1 19 . 1 1 11 11 GLU H H 11 7.544 7.544 8.437 -0.893 25653 1925 1 19 . 1 1 12 12 VAL HA H 12 3.893 3.893 4.159 -0.266 25653 1926 1 19 . 1 1 12 12 VAL CA C 12 61.433 61.433 62.557 -1.124 25653 1927 1 19 . 1 1 12 12 VAL CB C 12 32.771 32.771 34.065 -1.294 25653 1928 1 19 . 1 1 12 12 VAL H H 12 7.536 7.536 7.693 -0.157 25653 1929 1 19 . 1 1 13 13 TYR HA H 13 4.603 4.603 4.923 -0.320 25653 1930 1 19 . 1 1 13 13 TYR CA C 13 55.557 55.557 55.663 -0.106 25653 1931 1 19 . 1 1 13 13 TYR CB C 13 38.917 38.917 40.556 -1.639 25653 1932 1 19 . 1 1 13 13 TYR H H 13 7.213 7.213 7.999 -0.786 25653 1933 1 19 . 1 1 14 14 PRO HA H 14 4.541 4.541 4.555 -0.014 25653 1934 1 19 . 1 1 14 14 PRO CA C 14 60.415 60.415 62.642 -2.227 25653 1935 1 19 . 1 1 14 14 PRO CB C 14 31.595 31.595 33.199 -1.604 25653 1936 1 19 . 1 1 15 15 CYS HA H 15 4.925 4.925 5.608 -0.683 25653 1937 1 19 . 1 1 15 15 CYS CA C 15 54.229 54.229 58.921 -4.692 25653 1938 1 19 . 1 1 15 15 CYS CB C 15 39.173 39.173 28.649 10.524 25653 1939 1 19 . 1 1 15 15 CYS H H 15 8.986 8.986 8.577 0.409 25653 1940 1 19 . 1 1 16 16 CYS HA H 16 4.423 4.423 4.553 -0.130 25653 1941 1 19 . 1 1 16 16 CYS CA C 16 52.994 52.994 60.583 -7.589 25653 1942 1 19 . 1 1 16 16 CYS CB C 16 40.662 40.662 28.222 12.440 25653 1943 1 19 . 1 1 16 16 CYS H H 16 9.018 9.018 8.998 0.020 25653 1944 1 19 . 1 1 17 17 ASP HA H 17 4.218 4.218 4.608 -0.390 25653 1945 1 19 . 1 1 17 17 ASP CA C 17 51.378 51.378 54.499 -3.121 25653 1946 1 19 . 1 1 17 17 ASP CB C 17 37.397 37.397 40.669 -3.272 25653 1947 1 19 . 1 1 17 17 ASP H H 17 9.414 9.414 8.174 1.240 25653 1948 1 19 . 1 1 18 18 GLY CA C 18 43.836 43.836 45.254 -1.418 25653 1949 1 19 . 1 1 19 19 LEU HA H 19 4.130 4.130 4.349 -0.219 25653 1950 1 19 . 1 1 19 19 LEU CA C 19 53.875 53.875 54.642 -0.767 25653 1951 1 19 . 1 1 19 19 LEU CB C 19 41.530 41.530 42.778 -1.248 25653 1952 1 19 . 1 1 19 19 LEU H H 19 6.878 6.878 7.738 -0.860 25653 1953 1 19 . 1 1 20 20 ILE HA H 20 4.015 4.015 4.217 -0.202 25653 1954 1 19 . 1 1 20 20 ILE CA C 20 57.950 57.950 60.217 -2.267 25653 1955 1 19 . 1 1 20 20 ILE CB C 20 40.182 40.182 40.929 -0.747 25653 1956 1 19 . 1 1 20 20 ILE H H 20 8.102 8.102 8.406 -0.304 25653 1957 1 19 . 1 1 21 21 CYS HA H 21 4.735 4.735 4.953 -0.218 25653 1958 1 19 . 1 1 21 21 CYS CA C 21 53.258 53.258 58.772 -5.514 25653 1959 1 19 . 1 1 21 21 CYS CB C 21 38.612 38.612 25.443 13.169 25653 1960 1 19 . 1 1 21 21 CYS H H 21 8.516 8.516 8.677 -0.161 25653 1961 1 19 . 1 1 22 22 TYR HA H 22 4.404 4.404 4.644 -0.240 25653 1962 1 19 . 1 1 22 22 TYR CA C 22 56.386 56.386 56.531 -0.145 25653 1963 1 19 . 1 1 22 22 TYR CB C 22 39.225 39.225 39.145 0.079 25653 1964 1 19 . 1 1 22 22 TYR H H 22 8.859 8.859 9.411 -0.552 25653 1965 1 19 . 1 1 23 23 PRO HA H 23 4.510 4.510 4.433 0.077 25653 1966 1 19 . 1 1 23 23 PRO CA C 23 61.466 61.466 62.995 -1.529 25653 1967 1 19 . 1 1 23 23 PRO CB C 23 27.705 27.705 29.553 -1.848 25653 1968 1 19 . 1 1 24 24 THR HA H 24 4.994 4.994 4.561 0.433 25653 1969 1 19 . 1 1 24 24 THR CA C 24 60.198 60.198 60.906 -0.708 25653 1970 1 19 . 1 1 24 24 THR CB C 24 68.850 68.850 70.904 -2.054 25653 1971 1 19 . 1 1 24 24 THR H H 24 7.959 7.959 8.069 -0.110 25653 1972 1 19 . 1 1 25 25 PHE HA H 25 4.594 4.594 4.914 -0.320 25653 1973 1 19 . 1 1 25 25 PHE CA C 25 53.270 53.270 55.034 -1.764 25653 1974 1 19 . 1 1 25 25 PHE CB C 25 41.647 41.647 40.118 1.529 25653 1975 1 19 . 1 1 25 25 PHE H H 25 8.297 8.297 8.595 -0.298 25653 1976 1 19 . 1 1 26 26 PRO HA H 26 3.626 3.626 4.377 -0.751 25653 1977 1 19 . 1 1 26 26 PRO CA C 26 62.856 62.856 64.039 -1.183 25653 1978 1 19 . 1 1 26 26 PRO CB C 26 33.648 33.648 31.877 1.771 25653 1979 1 19 . 1 1 27 27 GLU HA H 27 4.744 4.744 4.488 0.256 25653 1980 1 19 . 1 1 27 27 GLU CA C 27 51.119 51.119 52.691 -1.572 25653 1981 1 19 . 1 1 27 27 GLU CB C 27 28.919 28.919 30.579 -1.661 25653 1982 1 19 . 1 1 27 27 GLU H H 27 7.227 7.227 8.001 -0.774 25653 1983 1 19 . 1 1 28 28 PRO HA H 28 4.897 4.897 4.705 0.192 25653 1984 1 19 . 1 1 28 28 PRO CA C 28 62.335 62.335 62.773 -0.438 25653 1985 1 19 . 1 1 28 28 PRO CB C 28 32.209 32.209 32.521 -0.312 25653 1986 1 19 . 1 1 29 29 ILE HA H 29 4.901 4.901 4.847 0.054 25653 1987 1 19 . 1 1 29 29 ILE CA C 29 57.862 57.862 57.910 -0.048 25653 1988 1 19 . 1 1 29 29 ILE CB C 29 42.462 42.462 41.137 1.325 25653 1989 1 19 . 1 1 29 29 ILE H H 29 7.717 7.717 7.909 -0.192 25653 1990 1 19 . 1 1 30 30 CYS HA H 30 5.485 5.485 5.179 0.306 25653 1991 1 19 . 1 1 30 30 CYS CA C 30 54.566 54.566 58.515 -3.949 25653 1992 1 19 . 1 1 30 30 CYS CB C 30 40.404 40.404 26.578 13.825 25653 1993 1 19 . 1 1 30 30 CYS H H 30 8.439 8.439 8.449 -0.010 25653 1994 1 19 . 1 1 31 31 GLY CA C 31 44.788 44.788 45.257 -0.469 25653 1995 1 19 . 1 1 31 31 GLY H H 31 9.902 9.902 9.327 0.575 25653 1996 1 20 . 1 1 3 3 CYS HA H 3 4.989 4.989 4.798 0.191 25653 1997 1 20 . 1 1 3 3 CYS CA C 3 52.524 52.524 56.715 -4.191 25653 1998 1 20 . 1 1 3 3 CYS CB C 3 43.609 43.609 31.688 11.921 25653 1999 1 20 . 1 1 3 3 CYS H H 3 7.762 7.762 7.645 0.117 25653 2000 1 20 . 1 1 4 4 ALA HA H 4 4.326 4.326 4.664 -0.338 25653 2001 1 20 . 1 1 4 4 ALA CA C 4 50.194 50.194 51.379 -1.185 25653 2002 1 20 . 1 1 4 4 ALA CB C 4 20.591 20.591 19.813 0.778 25653 2003 1 20 . 1 1 4 4 ALA H H 4 9.027 9.027 8.589 0.438 25653 2004 1 20 . 1 1 5 5 GLU HA H 5 4.026 4.026 4.408 -0.382 25653 2005 1 20 . 1 1 5 5 GLU CA C 5 53.176 53.176 55.062 -1.886 25653 2006 1 20 . 1 1 5 5 GLU CB C 5 29.310 29.310 30.597 -1.287 25653 2007 1 20 . 1 1 5 5 GLU H H 5 7.583 7.583 8.683 -1.100 25653 2008 1 20 . 1 1 6 6 GLU HA H 6 3.540 3.540 4.515 -0.975 25653 2009 1 20 . 1 1 6 6 GLU CA C 6 56.986 56.986 56.682 0.304 25653 2010 1 20 . 1 1 6 6 GLU CB C 6 28.177 28.177 29.350 -1.173 25653 2011 1 20 . 1 1 6 6 GLU H H 6 8.031 8.031 8.477 -0.446 25653 2012 1 20 . 1 1 7 7 GLY CA C 7 44.986 44.986 45.068 -0.082 25653 2013 1 20 . 1 1 7 7 GLY H H 7 8.854 8.854 8.572 0.282 25653 2014 1 20 . 1 1 8 8 GLU HA H 8 4.465 4.465 4.732 -0.267 25653 2015 1 20 . 1 1 8 8 GLU CA C 8 52.956 52.956 54.297 -1.341 25653 2016 1 20 . 1 1 8 8 GLU CB C 8 29.773 29.773 32.584 -2.811 25653 2017 1 20 . 1 1 8 8 GLU H H 8 7.819 7.819 7.726 0.093 25653 2018 1 20 . 1 1 9 9 SER HA H 9 5.080 5.080 5.116 -0.036 25653 2019 1 20 . 1 1 9 9 SER CA C 9 56.778 56.778 58.097 -1.319 25653 2020 1 20 . 1 1 9 9 SER CB C 9 64.205 64.205 63.789 0.416 25653 2021 1 20 . 1 1 9 9 SER H H 9 8.284 8.284 8.555 -0.271 25653 2022 1 20 . 1 1 10 10 CYS HA H 10 5.468 5.468 5.324 0.144 25653 2023 1 20 . 1 1 10 10 CYS CA C 10 53.695 53.695 56.555 -2.860 25653 2024 1 20 . 1 1 10 10 CYS CB C 10 45.676 45.676 26.450 19.226 25653 2025 1 20 . 1 1 10 10 CYS H H 10 7.377 7.377 8.302 -0.925 25653 2026 1 20 . 1 1 11 11 GLU HA H 11 3.903 3.903 4.198 -0.295 25653 2027 1 20 . 1 1 11 11 GLU CA C 11 57.575 57.575 58.337 -0.762 25653 2028 1 20 . 1 1 11 11 GLU CB C 11 28.668 28.668 29.405 -0.738 25653 2029 1 20 . 1 1 11 11 GLU H H 11 7.544 7.544 8.426 -0.882 25653 2030 1 20 . 1 1 12 12 VAL HA H 12 3.893 3.893 4.100 -0.207 25653 2031 1 20 . 1 1 12 12 VAL CA C 12 61.433 61.433 63.008 -1.575 25653 2032 1 20 . 1 1 12 12 VAL CB C 12 32.771 32.771 33.318 -0.547 25653 2033 1 20 . 1 1 12 12 VAL H H 12 7.536 7.536 7.734 -0.198 25653 2034 1 20 . 1 1 13 13 TYR HA H 13 4.603 4.603 4.961 -0.358 25653 2035 1 20 . 1 1 13 13 TYR CA C 13 55.557 55.557 55.715 -0.158 25653 2036 1 20 . 1 1 13 13 TYR CB C 13 38.917 38.917 40.488 -1.571 25653 2037 1 20 . 1 1 13 13 TYR H H 13 7.213 7.213 8.028 -0.815 25653 2038 1 20 . 1 1 14 14 PRO HA H 14 4.541 4.541 4.612 -0.071 25653 2039 1 20 . 1 1 14 14 PRO CA C 14 60.415 60.415 62.485 -2.070 25653 2040 1 20 . 1 1 14 14 PRO CB C 14 31.595 31.595 33.185 -1.590 25653 2041 1 20 . 1 1 15 15 CYS HA H 15 4.925 4.925 5.541 -0.616 25653 2042 1 20 . 1 1 15 15 CYS CA C 15 54.229 54.229 58.892 -4.663 25653 2043 1 20 . 1 1 15 15 CYS CB C 15 39.173 39.173 28.755 10.418 25653 2044 1 20 . 1 1 15 15 CYS H H 15 8.986 8.986 8.562 0.424 25653 2045 1 20 . 1 1 16 16 CYS HA H 16 4.423 4.423 4.574 -0.151 25653 2046 1 20 . 1 1 16 16 CYS CA C 16 52.994 52.994 60.113 -7.119 25653 2047 1 20 . 1 1 16 16 CYS CB C 16 40.662 40.662 28.422 12.239 25653 2048 1 20 . 1 1 16 16 CYS H H 16 9.018 9.018 8.946 0.072 25653 2049 1 20 . 1 1 17 17 ASP HA H 17 4.218 4.218 4.612 -0.394 25653 2050 1 20 . 1 1 17 17 ASP CA C 17 51.378 51.378 55.349 -3.971 25653 2051 1 20 . 1 1 17 17 ASP CB C 17 37.397 37.397 40.431 -3.034 25653 2052 1 20 . 1 1 17 17 ASP H H 17 9.414 9.414 8.322 1.092 25653 2053 1 20 . 1 1 18 18 GLY CA C 18 43.836 43.836 45.145 -1.309 25653 2054 1 20 . 1 1 19 19 LEU HA H 19 4.130 4.130 4.348 -0.218 25653 2055 1 20 . 1 1 19 19 LEU CA C 19 53.875 53.875 54.653 -0.778 25653 2056 1 20 . 1 1 19 19 LEU CB C 19 41.530 41.530 42.805 -1.275 25653 2057 1 20 . 1 1 19 19 LEU H H 19 6.878 6.878 7.733 -0.855 25653 2058 1 20 . 1 1 20 20 ILE HA H 20 4.015 4.015 4.221 -0.206 25653 2059 1 20 . 1 1 20 20 ILE CA C 20 57.950 57.950 60.165 -2.215 25653 2060 1 20 . 1 1 20 20 ILE CB C 20 40.182 40.182 40.996 -0.814 25653 2061 1 20 . 1 1 20 20 ILE H H 20 8.102 8.102 8.444 -0.342 25653 2062 1 20 . 1 1 21 21 CYS HA H 21 4.735 4.735 4.907 -0.172 25653 2063 1 20 . 1 1 21 21 CYS CA C 21 53.258 53.258 58.820 -5.562 25653 2064 1 20 . 1 1 21 21 CYS CB C 21 38.612 38.612 25.382 13.230 25653 2065 1 20 . 1 1 21 21 CYS H H 21 8.516 8.516 8.693 -0.177 25653 2066 1 20 . 1 1 22 22 TYR HA H 22 4.404 4.404 4.641 -0.237 25653 2067 1 20 . 1 1 22 22 TYR CA C 22 56.386 56.386 56.535 -0.149 25653 2068 1 20 . 1 1 22 22 TYR CB C 22 39.225 39.225 39.118 0.107 25653 2069 1 20 . 1 1 22 22 TYR H H 22 8.859 8.859 9.404 -0.545 25653 2070 1 20 . 1 1 23 23 PRO HA H 23 4.510 4.510 4.424 0.086 25653 2071 1 20 . 1 1 23 23 PRO CA C 23 61.466 61.466 62.808 -1.342 25653 2072 1 20 . 1 1 23 23 PRO CB C 23 27.705 27.705 29.853 -2.148 25653 2073 1 20 . 1 1 24 24 THR HA H 24 4.994 4.994 4.586 0.408 25653 2074 1 20 . 1 1 24 24 THR CA C 24 60.198 60.198 61.227 -1.029 25653 2075 1 20 . 1 1 24 24 THR CB C 24 68.850 68.850 70.933 -2.083 25653 2076 1 20 . 1 1 24 24 THR H H 24 7.959 7.959 8.064 -0.105 25653 2077 1 20 . 1 1 25 25 PHE HA H 25 4.594 4.594 4.869 -0.275 25653 2078 1 20 . 1 1 25 25 PHE CA C 25 53.270 53.270 55.135 -1.865 25653 2079 1 20 . 1 1 25 25 PHE CB C 25 41.647 41.647 40.085 1.562 25653 2080 1 20 . 1 1 25 25 PHE H H 25 8.297 8.297 8.506 -0.209 25653 2081 1 20 . 1 1 26 26 PRO HA H 26 3.626 3.626 4.377 -0.751 25653 2082 1 20 . 1 1 26 26 PRO CA C 26 62.856 62.856 64.029 -1.173 25653 2083 1 20 . 1 1 26 26 PRO CB C 26 33.648 33.648 31.877 1.771 25653 2084 1 20 . 1 1 27 27 GLU HA H 27 4.744 4.744 4.400 0.344 25653 2085 1 20 . 1 1 27 27 GLU CA C 27 51.119 51.119 52.926 -1.807 25653 2086 1 20 . 1 1 27 27 GLU CB C 27 28.919 28.919 30.453 -1.534 25653 2087 1 20 . 1 1 27 27 GLU H H 27 7.227 7.227 7.937 -0.710 25653 2088 1 20 . 1 1 28 28 PRO HA H 28 4.897 4.897 4.683 0.214 25653 2089 1 20 . 1 1 28 28 PRO CA C 28 62.335 62.335 62.657 -0.322 25653 2090 1 20 . 1 1 28 28 PRO CB C 28 32.209 32.209 32.528 -0.319 25653 2091 1 20 . 1 1 29 29 ILE HA H 29 4.901 4.901 4.877 0.024 25653 2092 1 20 . 1 1 29 29 ILE CA C 29 57.862 57.862 57.879 -0.017 25653 2093 1 20 . 1 1 29 29 ILE CB C 29 42.462 42.462 41.222 1.240 25653 2094 1 20 . 1 1 29 29 ILE H H 29 7.717 7.717 7.892 -0.175 25653 2095 1 20 . 1 1 30 30 CYS HA H 30 5.485 5.485 5.121 0.364 25653 2096 1 20 . 1 1 30 30 CYS CA C 30 54.566 54.566 58.604 -4.038 25653 2097 1 20 . 1 1 30 30 CYS CB C 30 40.404 40.404 26.449 13.955 25653 2098 1 20 . 1 1 30 30 CYS H H 30 8.439 8.439 8.486 -0.047 25653 2099 1 20 . 1 1 31 31 GLY CA C 31 44.788 44.788 44.960 -0.172 25653 2100 1 20 . 1 1 31 31 GLY H H 31 9.902 9.902 9.363 0.539 25653 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 0 0.000 0.000 0.000 25653 2 1 1 "Average Difference" HA 32 0.385 0.123 0.371 25653 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25653 4 1 1 "Average Difference" CA 29 2.606 1.822 1.896 25653 5 1 1 "Average Difference" CB 26 6.967 -2.615 6.586 25653 6 1 1 "Average Difference" HN 24 0.573 0.218 0.542 25653 7 1 2 "Average Difference" N 0 0.000 0.000 0.000 25653 8 1 2 "Average Difference" HA 32 0.384 0.124 0.369 25653 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25653 10 1 2 "Average Difference" CA 29 2.613 1.853 1.874 25653 11 1 2 "Average Difference" CB 26 6.958 -2.631 6.569 25653 12 1 2 "Average Difference" HN 24 0.573 0.212 0.544 25653 13 1 3 "Average Difference" N 0 0.000 0.000 0.000 25653 14 1 3 "Average Difference" HA 32 0.385 0.120 0.371 25653 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25653 16 1 3 "Average Difference" CA 29 2.629 1.864 1.886 25653 17 1 3 "Average Difference" CB 26 6.978 -2.669 6.575 25653 18 1 3 "Average Difference" HN 24 0.563 0.209 0.534 25653 19 1 4 "Average Difference" N 0 0.000 0.000 0.000 25653 20 1 4 "Average Difference" HA 32 0.377 0.131 0.359 25653 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25653 22 1 4 "Average Difference" CA 29 2.601 1.836 1.875 25653 23 1 4 "Average Difference" CB 26 6.991 -2.606 6.616 25653 24 1 4 "Average Difference" HN 24 0.567 0.205 0.540 25653 25 1 5 "Average Difference" N 0 0.000 0.000 0.000 25653 26 1 5 "Average Difference" HA 32 0.392 0.142 0.372 25653 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25653 28 1 5 "Average Difference" CA 29 2.611 1.831 1.894 25653 29 1 5 "Average Difference" CB 26 6.983 -2.618 6.602 25653 30 1 5 "Average Difference" HN 24 0.613 0.236 0.578 25653 31 1 6 "Average Difference" N 0 0.000 0.000 0.000 25653 32 1 6 "Average Difference" HA 32 0.375 0.124 0.360 25653 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25653 34 1 6 "Average Difference" CA 29 2.626 1.856 1.891 25653 35 1 6 "Average Difference" CB 26 6.991 -2.666 6.591 25653 36 1 6 "Average Difference" HN 24 0.569 0.220 0.536 25653 37 1 7 "Average Difference" N 0 0.000 0.000 0.000 25653 38 1 7 "Average Difference" HA 32 0.393 0.139 0.374 25653 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25653 40 1 7 "Average Difference" CA 29 2.604 1.784 1.931 25653 41 1 7 "Average Difference" CB 26 6.973 -2.631 6.586 25653 42 1 7 "Average Difference" HN 24 0.611 0.231 0.578 25653 43 1 8 "Average Difference" N 0 0.000 0.000 0.000 25653 44 1 8 "Average Difference" HA 32 0.373 0.115 0.361 25653 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25653 46 1 8 "Average Difference" CA 29 2.603 1.825 1.889 25653 47 1 8 "Average Difference" CB 26 6.963 -2.670 6.558 25653 48 1 8 "Average Difference" HN 24 0.567 0.196 0.543 25653 49 1 9 "Average Difference" N 0 0.000 0.000 0.000 25653 50 1 9 "Average Difference" HA 32 0.370 0.115 0.357 25653 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25653 52 1 9 "Average Difference" CA 29 2.617 1.836 1.898 25653 53 1 9 "Average Difference" CB 26 6.988 -2.663 6.588 25653 54 1 9 "Average Difference" HN 24 0.581 0.204 0.556 25653 55 1 10 "Average Difference" N 0 0.000 0.000 0.000 25653 56 1 10 "Average Difference" HA 32 0.385 0.125 0.370 25653 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25653 58 1 10 "Average Difference" CA 29 2.602 1.844 1.868 25653 59 1 10 "Average Difference" CB 26 6.947 -2.653 6.548 25653 60 1 10 "Average Difference" HN 24 0.570 0.213 0.541 25653 61 1 11 "Average Difference" N 0 0.000 0.000 0.000 25653 62 1 11 "Average Difference" HA 32 0.369 0.125 0.353 25653 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 25653 64 1 11 "Average Difference" CA 29 2.590 1.845 1.851 25653 65 1 11 "Average Difference" CB 26 6.766 -2.583 6.377 25653 66 1 11 "Average Difference" HN 24 0.567 0.203 0.540 25653 67 1 12 "Average Difference" N 0 0.000 0.000 0.000 25653 68 1 12 "Average Difference" HA 32 0.376 0.128 0.359 25653 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 25653 70 1 12 "Average Difference" CA 29 2.614 1.891 1.837 25653 71 1 12 "Average Difference" CB 26 6.775 -2.545 6.404 25653 72 1 12 "Average Difference" HN 24 0.571 0.202 0.546 25653 73 1 13 "Average Difference" N 0 0.000 0.000 0.000 25653 74 1 13 "Average Difference" HA 32 0.376 0.125 0.361 25653 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 25653 76 1 13 "Average Difference" CA 29 2.606 1.859 1.859 25653 77 1 13 "Average Difference" CB 26 6.767 -2.560 6.388 25653 78 1 13 "Average Difference" HN 24 0.565 0.204 0.538 25653 79 1 14 "Average Difference" N 0 0.000 0.000 0.000 25653 80 1 14 "Average Difference" HA 32 0.369 0.126 0.352 25653 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 25653 82 1 14 "Average Difference" CA 29 2.606 1.880 1.837 25653 83 1 14 "Average Difference" CB 26 6.772 -2.571 6.389 25653 84 1 14 "Average Difference" HN 24 0.578 0.212 0.549 25653 85 1 15 "Average Difference" N 0 0.000 0.000 0.000 25653 86 1 15 "Average Difference" HA 32 0.374 0.126 0.357 25653 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 25653 88 1 15 "Average Difference" CA 29 2.562 1.848 1.806 25653 89 1 15 "Average Difference" CB 26 6.766 -2.523 6.402 25653 90 1 15 "Average Difference" HN 24 0.577 0.204 0.551 25653 91 1 16 "Average Difference" N 0 0.000 0.000 0.000 25653 92 1 16 "Average Difference" HA 32 0.370 0.126 0.354 25653 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 25653 94 1 16 "Average Difference" CA 29 2.611 1.856 1.869 25653 95 1 16 "Average Difference" CB 26 6.777 -2.595 6.384 25653 96 1 16 "Average Difference" HN 24 0.576 0.194 0.554 25653 97 1 17 "Average Difference" N 0 0.000 0.000 0.000 25653 98 1 17 "Average Difference" HA 32 0.365 0.120 0.351 25653 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 25653 100 1 17 "Average Difference" CA 29 2.591 1.863 1.832 25653 101 1 17 "Average Difference" CB 26 6.763 -2.590 6.371 25653 102 1 17 "Average Difference" HN 24 0.564 0.207 0.536 25653 103 1 18 "Average Difference" N 0 0.000 0.000 0.000 25653 104 1 18 "Average Difference" HA 32 0.372 0.134 0.352 25653 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 25653 106 1 18 "Average Difference" CA 29 2.630 1.893 1.858 25653 107 1 18 "Average Difference" CB 26 6.774 -2.585 6.385 25653 108 1 18 "Average Difference" HN 24 0.580 0.209 0.552 25653 109 1 19 "Average Difference" N 0 0.000 0.000 0.000 25653 110 1 19 "Average Difference" HA 32 0.362 0.116 0.348 25653 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 25653 112 1 19 "Average Difference" CA 29 2.602 1.855 1.857 25653 113 1 19 "Average Difference" CB 26 6.786 -2.546 6.415 25653 114 1 19 "Average Difference" HN 24 0.591 0.208 0.565 25653 115 1 20 "Average Difference" N 0 0.000 0.000 0.000 25653 116 1 20 "Average Difference" HA 32 0.368 0.110 0.357 25653 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 25653 118 1 20 "Average Difference" CA 29 2.597 1.885 1.818 25653 119 1 20 "Average Difference" CB 26 6.758 -2.536 6.388 25653 120 1 20 "Average Difference" HN 24 0.561 0.198 0.536 25653 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 25653 _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 3 3 CYS HA H 3 4.989 4.989 4.730 0.259 25653 2 1 . 1 1 3 3 CYS CA C 3 52.524 52.524 56.930 -4.406 25653 3 1 . 1 1 3 3 CYS CB C 3 43.609 43.609 30.379 13.230 25653 4 1 . 1 1 3 3 CYS H H 3 7.762 7.762 7.659 0.103 25653 5 1 . 1 1 4 4 ALA HA H 4 4.326 4.326 4.629 -0.303 25653 6 1 . 1 1 4 4 ALA CA C 4 50.194 50.194 51.416 -1.222 25653 7 1 . 1 1 4 4 ALA CB C 4 20.591 20.591 19.658 0.933 25653 8 1 . 1 1 4 4 ALA H H 4 9.027 9.027 8.696 0.331 25653 9 1 . 1 1 5 5 GLU HA H 5 4.026 4.026 4.386 -0.360 25653 10 1 . 1 1 5 5 GLU CA C 5 53.176 53.176 55.022 -1.846 25653 11 1 . 1 1 5 5 GLU CB C 5 29.310 29.310 30.627 -1.317 25653 12 1 . 1 1 5 5 GLU H H 5 7.583 7.583 8.748 -1.165 25653 13 1 . 1 1 6 6 GLU HA H 6 3.540 3.540 4.462 -0.922 25653 14 1 . 1 1 6 6 GLU CA C 6 56.986 56.986 56.328 0.658 25653 15 1 . 1 1 6 6 GLU CB C 6 28.177 28.177 28.942 -0.765 25653 16 1 . 1 1 6 6 GLU H H 6 8.031 8.031 8.510 -0.479 25653 17 1 . 1 1 7 7 GLY CA C 7 44.986 44.986 44.978 0.008 25653 18 1 . 1 1 7 7 GLY H H 7 8.854 8.854 8.575 0.279 25653 19 1 . 1 1 8 8 GLU HA H 8 4.465 4.465 4.742 -0.277 25653 20 1 . 1 1 8 8 GLU CA C 8 52.956 52.956 54.328 -1.372 25653 21 1 . 1 1 8 8 GLU CB C 8 29.773 29.773 32.644 -2.871 25653 22 1 . 1 1 8 8 GLU H H 8 7.819 7.819 7.709 0.110 25653 23 1 . 1 1 9 9 SER HA H 9 5.080 5.080 5.139 -0.059 25653 24 1 . 1 1 9 9 SER CA C 9 56.778 56.778 57.920 -1.142 25653 25 1 . 1 1 9 9 SER CB C 9 64.205 64.205 63.693 0.512 25653 26 1 . 1 1 9 9 SER H H 9 8.284 8.284 8.582 -0.298 25653 27 1 . 1 1 10 10 CYS HA H 10 5.468 5.468 5.373 0.095 25653 28 1 . 1 1 10 10 CYS CA C 10 53.695 53.695 56.610 -2.915 25653 29 1 . 1 1 10 10 CYS CB C 10 45.676 45.676 26.284 19.392 25653 30 1 . 1 1 10 10 CYS H H 10 7.377 7.377 8.313 -0.936 25653 31 1 . 1 1 11 11 GLU HA H 11 3.903 3.903 4.200 -0.297 25653 32 1 . 1 1 11 11 GLU CA C 11 57.575 57.575 58.296 -0.721 25653 33 1 . 1 1 11 11 GLU CB C 11 28.668 28.668 29.217 -0.549 25653 34 1 . 1 1 11 11 GLU H H 11 7.544 7.544 8.439 -0.895 25653 35 1 . 1 1 12 12 VAL HA H 12 3.893 3.893 4.137 -0.244 25653 36 1 . 1 1 12 12 VAL CA C 12 61.433 61.433 62.914 -1.481 25653 37 1 . 1 1 12 12 VAL CB C 12 32.771 32.771 33.730 -0.959 25653 38 1 . 1 1 12 12 VAL H H 12 7.536 7.536 7.719 -0.183 25653 39 1 . 1 1 13 13 TYR HA H 13 4.603 4.603 5.000 -0.397 25653 40 1 . 1 1 13 13 TYR CA C 13 55.557 55.557 55.416 0.141 25653 41 1 . 1 1 13 13 TYR CB C 13 38.917 38.917 40.498 -1.581 25653 42 1 . 1 1 13 13 TYR H H 13 7.213 7.213 7.987 -0.774 25653 43 1 . 1 1 14 14 PRO HA H 14 4.541 4.541 4.573 -0.032 25653 44 1 . 1 1 14 14 PRO CA C 14 60.415 60.415 62.598 -2.183 25653 45 1 . 1 1 14 14 PRO CB C 14 31.595 31.595 33.166 -1.571 25653 46 1 . 1 1 15 15 CYS HA H 15 4.925 4.925 5.628 -0.703 25653 47 1 . 1 1 15 15 CYS CA C 15 54.229 54.229 58.846 -4.617 25653 48 1 . 1 1 15 15 CYS CB C 15 39.173 39.173 28.755 10.418 25653 49 1 . 1 1 15 15 CYS H H 15 8.986 8.986 8.565 0.421 25653 50 1 . 1 1 16 16 CYS HA H 16 4.423 4.423 4.580 -0.157 25653 51 1 . 1 1 16 16 CYS CA C 16 52.994 52.994 60.263 -7.269 25653 52 1 . 1 1 16 16 CYS CB C 16 40.662 40.662 28.358 12.304 25653 53 1 . 1 1 16 16 CYS H H 16 9.018 9.018 9.011 0.007 25653 54 1 . 1 1 17 17 ASP HA H 17 4.218 4.218 4.618 -0.400 25653 55 1 . 1 1 17 17 ASP CA C 17 51.378 51.378 55.106 -3.728 25653 56 1 . 1 1 17 17 ASP CB C 17 37.397 37.397 40.454 -3.057 25653 57 1 . 1 1 17 17 ASP H H 17 9.414 9.414 8.300 1.114 25653 58 1 . 1 1 18 18 GLY CA C 18 43.836 43.836 45.169 -1.333 25653 59 1 . 1 1 19 19 LEU HA H 19 4.130 4.130 4.504 -0.374 25653 60 1 . 1 1 19 19 LEU CA C 19 53.875 53.875 54.456 -0.581 25653 61 1 . 1 1 19 19 LEU CB C 19 41.530 41.530 43.081 -1.551 25653 62 1 . 1 1 19 19 LEU H H 19 6.878 6.878 7.719 -0.841 25653 63 1 . 1 1 20 20 ILE HA H 20 4.015 4.015 4.221 -0.206 25653 64 1 . 1 1 20 20 ILE CA C 20 57.950 57.950 60.149 -2.199 25653 65 1 . 1 1 20 20 ILE CB C 20 40.182 40.182 40.989 -0.807 25653 66 1 . 1 1 20 20 ILE H H 20 8.102 8.102 8.415 -0.313 25653 67 1 . 1 1 21 21 CYS HA H 21 4.735 4.735 4.934 -0.199 25653 68 1 . 1 1 21 21 CYS CA C 21 53.258 53.258 58.815 -5.557 25653 69 1 . 1 1 21 21 CYS CB C 21 38.612 38.612 25.408 13.204 25653 70 1 . 1 1 21 21 CYS H H 21 8.516 8.516 8.683 -0.167 25653 71 1 . 1 1 22 22 TYR HA H 22 4.404 4.404 4.643 -0.240 25653 72 1 . 1 1 22 22 TYR CA C 22 56.386 56.386 56.529 -0.143 25653 73 1 . 1 1 22 22 TYR CB C 22 39.225 39.225 39.133 0.092 25653 74 1 . 1 1 22 22 TYR H H 22 8.859 8.859 9.415 -0.556 25653 75 1 . 1 1 23 23 PRO HA H 23 4.510 4.510 4.438 0.072 25653 76 1 . 1 1 23 23 PRO CA C 23 61.466 61.466 62.889 -1.423 25653 77 1 . 1 1 23 23 PRO CB C 23 27.705 27.705 29.799 -2.094 25653 78 1 . 1 1 24 24 THR HA H 24 4.994 4.994 4.554 0.440 25653 79 1 . 1 1 24 24 THR CA C 24 60.198 60.198 61.048 -0.850 25653 80 1 . 1 1 24 24 THR CB C 24 68.850 68.850 70.894 -2.044 25653 81 1 . 1 1 24 24 THR H H 24 7.959 7.959 8.107 -0.148 25653 82 1 . 1 1 25 25 PHE HA H 25 4.594 4.594 4.905 -0.311 25653 83 1 . 1 1 25 25 PHE CA C 25 53.270 53.270 55.049 -1.779 25653 84 1 . 1 1 25 25 PHE CB C 25 41.647 41.647 40.150 1.497 25653 85 1 . 1 1 25 25 PHE H H 25 8.297 8.297 8.540 -0.243 25653 86 1 . 1 1 26 26 PRO HA H 26 3.626 3.626 4.373 -0.747 25653 87 1 . 1 1 26 26 PRO CA C 26 62.856 62.856 64.130 -1.274 25653 88 1 . 1 1 26 26 PRO CB C 26 33.648 33.648 31.854 1.794 25653 89 1 . 1 1 27 27 GLU HA H 27 4.744 4.744 4.452 0.292 25653 90 1 . 1 1 27 27 GLU CA C 27 51.119 51.119 52.801 -1.682 25653 91 1 . 1 1 27 27 GLU CB C 27 28.919 28.919 30.324 -1.405 25653 92 1 . 1 1 27 27 GLU H H 27 7.227 7.227 8.035 -0.808 25653 93 1 . 1 1 28 28 PRO HA H 28 4.897 4.897 4.722 0.175 25653 94 1 . 1 1 28 28 PRO CA C 28 62.335 62.335 62.732 -0.397 25653 95 1 . 1 1 28 28 PRO CB C 28 32.209 32.209 32.537 -0.328 25653 96 1 . 1 1 29 29 ILE HA H 29 4.901 4.901 4.856 0.045 25653 97 1 . 1 1 29 29 ILE CA C 29 57.862 57.862 57.886 -0.024 25653 98 1 . 1 1 29 29 ILE CB C 29 42.462 42.462 41.148 1.314 25653 99 1 . 1 1 29 29 ILE H H 29 7.717 7.717 7.897 -0.180 25653 100 1 . 1 1 30 30 CYS HA H 30 5.485 5.485 5.153 0.332 25653 101 1 . 1 1 30 30 CYS CA C 30 54.566 54.566 58.544 -3.978 25653 102 1 . 1 1 30 30 CYS CB C 30 40.404 40.404 26.528 13.876 25653 103 1 . 1 1 30 30 CYS H H 30 8.439 8.439 8.452 -0.013 25653 104 1 . 1 1 31 31 GLY CA C 31 44.788 44.788 45.157 -0.369 25653 105 1 . 1 1 31 31 GLY H H 31 9.902 9.902 9.289 0.613 25653 stop_ save_