NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
568089 | 2m6d | 19129 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H1 GLY 1 1.811 -0.001 0.854 2 HA2 GLY 1 HA2 GLY 1 2.809 0.789 -1.214 3 HA3 GLY 1 HA3 GLY 1 2.578 -0.947 -1.352 4 H CYS 2 H CYS 2 2.612 -0.452 -3.678 5 HA CYS 2 HA CYS 2 -0.046 0.416 -4.612 6 HB2 CYS 2 HB2 CYS 2 2.499 0.639 -6.219 7 HB3 CYS 2 HB3 CYS 2 0.934 1.368 -6.565 8 H VAL 3 H VAL 3 -1.191 -1.135 -5.541 9 HA VAL 3 HA VAL 3 -0.337 -3.749 -5.915 10 HB VAL 3 HB VAL 3 -2.349 -3.953 -7.461 11 HG11 VAL 3 HG11 VAL 3 -3.290 -2.676 -4.961 12 HG12 VAL 3 HG12 VAL 3 -3.696 -4.246 -5.657 13 HG13 VAL 3 HG13 VAL 3 -2.170 -4.028 -4.798 14 HG21 VAL 3 HG21 VAL 3 -3.472 -1.430 -6.570 15 HG22 VAL 3 HG22 VAL 3 -2.076 -1.204 -7.624 16 HG23 VAL 3 HG23 VAL 3 -3.455 -2.153 -8.178 17 H DLE 4 H DLE 4 1.096 -4.648 -7.349 18 HA DLE 4 HA DLE 4 1.078 -3.543 -10.055 19 HB2 DLE 4 HB2 DLE 4 0.906 -6.118 -9.146 20 HB3 DLE 4 HB3 DLE 4 2.616 -5.986 -9.505 21 HG DLE 4 HG DLE 4 1.970 -5.150 -11.810 22 HD11 DLE 4 HD11 DLE 4 -0.706 -5.512 -10.643 23 HD12 DLE 4 HD12 DLE 4 -0.497 -6.239 -12.254 24 HD13 DLE 4 HD13 DLE 4 -0.167 -4.507 -12.009 25 HD21 DLE 4 HD21 DLE 4 1.859 -7.853 -10.716 26 HD22 DLE 4 HD22 DLE 4 2.647 -7.239 -12.190 27 HD23 DLE 4 HD23 DLE 4 0.923 -7.681 -12.221 28 H TYR 5 H TYR 5 2.210 -1.972 -8.108 29 HA TYR 5 HA TYR 5 5.086 -2.184 -8.718 30 HB2 TYR 5 HB2 TYR 5 3.639 0.395 -8.139 31 HB3 TYR 5 HB3 TYR 5 5.224 0.176 -8.872 32 HD1 TYR 5 HD1 TYR 5 4.553 -1.940 -10.877 33 HD2 TYR 5 HD2 TYR 5 2.493 1.618 -9.782 34 HE1 TYR 5 HE1 TYR 5 3.534 -1.848 -13.114 35 HE2 TYR 5 HE2 TYR 5 1.468 1.720 -12.015 36 HH TYR 5 HH TYR 5 2.150 0.797 -14.397 37 HA PRO 6 HA PRO 6 4.592 -2.473 -4.115 38 HB2 PRO 6 HB2 PRO 6 6.416 -4.461 -3.817 39 HB3 PRO 6 HB3 PRO 6 4.714 -4.766 -4.184 40 HG2 PRO 6 HG2 PRO 6 7.070 -4.717 -6.030 41 HG3 PRO 6 HG3 PRO 6 5.717 -5.861 -5.973 42 HD2 PRO 6 HD2 PRO 6 5.841 -3.840 -7.771 43 HD3 PRO 6 HD3 PRO 6 4.305 -4.443 -7.117 44 H TRP 7 H TRP 7 7.034 -1.710 -6.341 45 HA TRP 7 HA TRP 7 9.047 -1.128 -4.322 46 HB2 TRP 7 HB2 TRP 7 10.531 -0.670 -6.125 47 HB3 TRP 7 HB3 TRP 7 9.599 -2.087 -6.602 48 HD1 TRP 7 HD1 TRP 7 9.926 1.666 -7.377 49 HE1 TRP 7 HE1 TRP 7 8.906 2.106 -9.698 50 HE3 TRP 7 HE3 TRP 7 7.974 -2.968 -8.297 51 HZ2 TRP 7 HZ2 TRP 7 7.464 0.678 -11.660 52 HZ3 TRP 7 HZ3 TRP 7 6.789 -3.348 -10.420 53 HH2 TRP 7 HH2 TRP 7 6.540 -1.561 -12.065 54 H CYS 8 H CYS 8 6.418 0.417 -5.762 55 HA CYS 8 HA CYS 8 7.205 3.037 -6.116 56 HB2 CYS 8 HB2 CYS 8 4.916 3.655 -5.838 57 HB3 CYS 8 HB3 CYS 8 4.925 2.054 -6.571 Start of MODEL 2 1 H1 GLY 1 H1 GLY 1 2.176 -1.896 -0.051 2 HA2 GLY 1 HA2 GLY 1 1.482 0.332 -0.575 3 HA3 GLY 1 HA3 GLY 1 2.876 0.027 -1.600 4 H CYS 2 H CYS 2 2.599 -0.285 -3.802 5 HA CYS 2 HA CYS 2 -0.069 0.443 -4.808 6 HB2 CYS 2 HB2 CYS 2 2.533 0.704 -6.313 7 HB3 CYS 2 HB3 CYS 2 0.984 1.448 -6.695 8 H VAL 3 H VAL 3 -1.182 -1.079 -5.822 9 HA VAL 3 HA VAL 3 -0.321 -3.683 -6.239 10 HB VAL 3 HB VAL 3 -2.274 -3.836 -7.865 11 HG11 VAL 3 HG11 VAL 3 -2.203 -4.017 -5.215 12 HG12 VAL 3 HG12 VAL 3 -3.280 -2.626 -5.350 13 HG13 VAL 3 HG13 VAL 3 -3.707 -4.151 -6.126 14 HG21 VAL 3 HG21 VAL 3 -1.988 -1.087 -7.942 15 HG22 VAL 3 HG22 VAL 3 -3.352 -2.013 -8.569 16 HG23 VAL 3 HG23 VAL 3 -3.421 -1.333 -6.944 17 H DLE 4 H DLE 4 1.164 -4.545 -7.643 18 HA DLE 4 HA DLE 4 1.250 -3.364 -10.315 19 HB2 DLE 4 HB2 DLE 4 2.385 -5.984 -9.332 20 HB3 DLE 4 HB3 DLE 4 2.314 -5.428 -10.992 21 HG DLE 4 HG DLE 4 -0.346 -5.343 -10.019 22 HD11 DLE 4 HD11 DLE 4 0.973 -7.993 -9.372 23 HD12 DLE 4 HD12 DLE 4 -0.760 -7.604 -9.258 24 HD13 DLE 4 HD13 DLE 4 0.405 -6.803 -8.176 25 HD21 DLE 4 HD21 DLE 4 1.135 -7.133 -11.950 26 HD22 DLE 4 HD22 DLE 4 0.095 -5.733 -12.305 27 HD23 DLE 4 HD23 DLE 4 -0.622 -7.240 -11.685 28 H TYR 5 H TYR 5 2.310 -1.850 -8.287 29 HA TYR 5 HA TYR 5 5.206 -2.053 -8.793 30 HB2 TYR 5 HB2 TYR 5 3.743 0.512 -8.194 31 HB3 TYR 5 HB3 TYR 5 5.354 0.310 -8.874 32 HD1 TYR 5 HD1 TYR 5 4.755 -1.746 -10.963 33 HD2 TYR 5 HD2 TYR 5 2.663 1.786 -9.844 34 HE1 TYR 5 HE1 TYR 5 3.820 -1.588 -13.233 35 HE2 TYR 5 HE2 TYR 5 1.722 1.954 -12.109 36 HH TYR 5 HH TYR 5 1.639 -0.482 -14.252 37 HA PRO 6 HA PRO 6 4.542 -2.473 -4.222 38 HB2 PRO 6 HB2 PRO 6 6.349 -4.475 -3.914 39 HB3 PRO 6 HB3 PRO 6 4.661 -4.764 -4.352 40 HG2 PRO 6 HG2 PRO 6 7.084 -4.668 -6.108 41 HG3 PRO 6 HG3 PRO 6 5.728 -5.810 -6.135 42 HD2 PRO 6 HD2 PRO 6 5.923 -3.739 -7.868 43 HD3 PRO 6 HD3 PRO 6 4.362 -4.355 -7.288 44 H TRP 7 H TRP 7 7.065 -1.654 -6.334 45 HA TRP 7 HA TRP 7 9.003 -1.136 -4.225 46 HB2 TRP 7 HB2 TRP 7 10.554 -0.632 -5.958 47 HB3 TRP 7 HB3 TRP 7 9.637 -2.031 -6.510 48 HD1 TRP 7 HD1 TRP 7 10.001 1.742 -7.163 49 HE1 TRP 7 HE1 TRP 7 9.069 2.252 -9.507 50 HE3 TRP 7 HE3 TRP 7 8.075 -2.858 -8.289 51 HZ2 TRP 7 HZ2 TRP 7 7.698 0.885 -11.562 52 HZ3 TRP 7 HZ3 TRP 7 6.969 -3.173 -10.464 53 HH2 TRP 7 HH2 TRP 7 6.785 -1.339 -12.065 54 H CYS 8 H CYS 8 6.433 0.457 -5.717 55 HA CYS 8 HA CYS 8 7.237 3.084 -5.966 56 HB2 CYS 8 HB2 CYS 8 4.940 3.700 -5.756 57 HB3 CYS 8 HB3 CYS 8 4.974 2.121 -6.533 Start of MODEL 3 1 H1 GLY 1 H1 GLY 1 1.441 -1.833 -1.156 2 HA2 GLY 1 HA2 GLY 1 1.694 0.694 -0.480 3 HA3 GLY 1 HA3 GLY 1 3.112 0.546 -1.507 4 H CYS 2 H CYS 2 2.476 -0.692 -3.675 5 HA CYS 2 HA CYS 2 -0.066 0.373 -4.678 6 HB2 CYS 2 HB2 CYS 2 2.504 0.644 -6.235 7 HB3 CYS 2 HB3 CYS 2 0.939 1.364 -6.598 8 H VAL 3 H VAL 3 -1.179 -1.177 -5.649 9 HA VAL 3 HA VAL 3 -0.294 -3.776 -6.046 10 HB VAL 3 HB VAL 3 -2.275 -3.975 -7.632 11 HG11 VAL 3 HG11 VAL 3 -2.627 -2.911 -4.836 12 HG12 VAL 3 HG12 VAL 3 -3.927 -3.636 -5.784 13 HG13 VAL 3 HG13 VAL 3 -2.516 -4.597 -5.340 14 HG21 VAL 3 HG21 VAL 3 -3.388 -2.176 -8.340 15 HG22 VAL 3 HG22 VAL 3 -3.437 -1.474 -6.723 16 HG23 VAL 3 HG23 VAL 3 -2.026 -1.223 -7.751 17 H DLE 4 H DLE 4 1.174 -4.640 -7.468 18 HA DLE 4 HA DLE 4 1.195 -3.495 -10.156 19 HB2 DLE 4 HB2 DLE 4 1.560 -6.161 -9.004 20 HB3 DLE 4 HB3 DLE 4 2.782 -5.745 -10.189 21 HG DLE 4 HG DLE 4 0.918 -5.164 -11.790 22 HD11 DLE 4 HD11 DLE 4 -1.085 -6.808 -10.493 23 HD12 DLE 4 HD12 DLE 4 -1.222 -5.178 -11.195 24 HD13 DLE 4 HD13 DLE 4 -0.683 -5.379 -9.510 25 HD21 DLE 4 HD21 DLE 4 1.693 -7.142 -12.496 26 HD22 DLE 4 HD22 DLE 4 0.215 -7.811 -11.765 27 HD23 DLE 4 HD23 DLE 4 1.743 -7.823 -10.852 28 H TYR 5 H TYR 5 2.275 -1.941 -8.169 29 HA TYR 5 HA TYR 5 5.163 -2.116 -8.728 30 HB2 TYR 5 HB2 TYR 5 3.680 0.440 -8.137 31 HB3 TYR 5 HB3 TYR 5 5.280 0.248 -8.845 32 HD1 TYR 5 HD1 TYR 5 4.667 -1.845 -10.893 33 HD2 TYR 5 HD2 TYR 5 2.554 1.677 -9.783 34 HE1 TYR 5 HE1 TYR 5 3.688 -1.729 -13.146 35 HE2 TYR 5 HE2 TYR 5 1.568 1.802 -12.033 36 HH TYR 5 HH TYR 5 2.463 -0.514 -14.562 37 HA PRO 6 HA PRO 6 4.590 -2.479 -4.140 38 HB2 PRO 6 HB2 PRO 6 6.428 -4.454 -3.839 39 HB3 PRO 6 HB3 PRO 6 4.736 -4.770 -4.240 40 HG2 PRO 6 HG2 PRO 6 7.123 -4.670 -6.043 41 HG3 PRO 6 HG3 PRO 6 5.781 -5.828 -6.028 42 HD2 PRO 6 HD2 PRO 6 5.918 -3.779 -7.793 43 HD3 PRO 6 HD3 PRO 6 4.376 -4.406 -7.175 44 H TRP 7 H TRP 7 7.063 -1.659 -6.310 45 HA TRP 7 HA TRP 7 9.034 -1.089 -4.246 46 HB2 TRP 7 HB2 TRP 7 10.546 -0.590 -6.015 47 HB3 TRP 7 HB3 TRP 7 9.636 -2.008 -6.530 48 HD1 TRP 7 HD1 TRP 7 9.942 1.759 -7.242 49 HE1 TRP 7 HE1 TRP 7 8.959 2.225 -9.575 50 HE3 TRP 7 HE3 TRP 7 8.051 -2.879 -8.268 51 HZ2 TRP 7 HZ2 TRP 7 7.567 0.813 -11.584 52 HZ3 TRP 7 HZ3 TRP 7 6.908 -3.237 -10.417 53 HH2 TRP 7 HH2 TRP 7 6.671 -1.428 -12.039 54 H CYS 8 H CYS 8 6.417 0.452 -5.711 55 HA CYS 8 HA CYS 8 7.184 3.085 -6.011 56 HB2 CYS 8 HB2 CYS 8 4.884 3.676 -5.766 57 HB3 CYS 8 HB3 CYS 8 4.923 2.087 -6.522 Start of MODEL 4 1 H1 GLY 1 H1 GLY 1 0.408 1.387 0.263 2 HA2 GLY 1 HA2 GLY 1 1.582 0.163 -1.429 3 HA3 GLY 1 HA3 GLY 1 0.066 -0.694 -1.194 4 H CYS 2 H CYS 2 1.929 -0.205 -3.560 5 HA CYS 2 HA CYS 2 -0.074 0.897 -5.416 6 HB2 CYS 2 HB2 CYS 2 2.870 0.525 -5.972 7 HB3 CYS 2 HB3 CYS 2 1.708 1.462 -6.906 8 H VAL 3 H VAL 3 -1.278 -0.834 -6.005 9 HA VAL 3 HA VAL 3 -0.415 -3.463 -6.315 10 HB VAL 3 HB VAL 3 -2.426 -3.703 -7.850 11 HG11 VAL 3 HG11 VAL 3 -2.470 -2.762 -5.030 12 HG12 VAL 3 HG12 VAL 3 -4.008 -2.944 -5.876 13 HG13 VAL 3 HG13 VAL 3 -2.925 -4.325 -5.708 14 HG21 VAL 3 HG21 VAL 3 -2.158 -0.959 -8.079 15 HG22 VAL 3 HG22 VAL 3 -3.533 -1.924 -8.617 16 HG23 VAL 3 HG23 VAL 3 -3.558 -1.162 -7.027 17 H DLE 4 H DLE 4 1.020 -4.378 -7.737 18 HA DLE 4 HA DLE 4 1.019 -3.282 -10.450 19 HB2 DLE 4 HB2 DLE 4 2.109 -5.406 -11.054 20 HB3 DLE 4 HB3 DLE 4 0.498 -5.593 -10.390 21 HG DLE 4 HG DLE 4 2.719 -5.822 -8.436 22 HD11 DLE 4 HD11 DLE 4 3.486 -7.954 -9.088 23 HD12 DLE 4 HD12 DLE 4 3.555 -6.949 -10.555 24 HD13 DLE 4 HD13 DLE 4 2.229 -8.117 -10.338 25 HD21 DLE 4 HD21 DLE 4 1.066 -8.021 -8.215 26 HD22 DLE 4 HD22 DLE 4 -0.032 -6.748 -8.799 27 HD23 DLE 4 HD23 DLE 4 0.913 -6.495 -7.312 28 H TYR 5 H TYR 5 2.226 -1.927 -8.241 29 HA TYR 5 HA TYR 5 5.048 -2.020 -9.081 30 HB2 TYR 5 HB2 TYR 5 3.679 0.384 -7.887 31 HB3 TYR 5 HB3 TYR 5 5.190 0.325 -8.788 32 HD1 TYR 5 HD1 TYR 5 4.328 -1.361 -11.101 33 HD2 TYR 5 HD2 TYR 5 2.397 1.889 -9.149 34 HE1 TYR 5 HE1 TYR 5 3.115 -0.842 -13.177 35 HE2 TYR 5 HE2 TYR 5 1.177 2.416 -11.219 36 HH TYR 5 HH TYR 5 0.670 0.486 -13.595 37 HA PRO 6 HA PRO 6 4.966 -3.220 -4.609 38 HB2 PRO 6 HB2 PRO 6 6.845 -5.163 -4.867 39 HB3 PRO 6 HB3 PRO 6 5.124 -5.448 -5.151 40 HG2 PRO 6 HG2 PRO 6 7.313 -4.946 -7.130 41 HG3 PRO 6 HG3 PRO 6 5.990 -6.125 -7.199 42 HD2 PRO 6 HD2 PRO 6 5.925 -3.782 -8.554 43 HD3 PRO 6 HD3 PRO 6 4.461 -4.556 -7.915 44 H TRP 7 H TRP 7 7.196 -1.942 -6.821 45 HA TRP 7 HA TRP 7 9.363 -1.709 -4.894 46 HB2 TRP 7 HB2 TRP 7 10.672 -0.825 -6.682 47 HB3 TRP 7 HB3 TRP 7 9.747 -2.167 -7.350 48 HD1 TRP 7 HD1 TRP 7 9.874 1.678 -7.391 49 HE1 TRP 7 HE1 TRP 7 8.642 2.506 -9.493 50 HE3 TRP 7 HE3 TRP 7 8.022 -2.786 -9.057 51 HZ2 TRP 7 HZ2 TRP 7 7.089 1.412 -11.582 52 HZ3 TRP 7 HZ3 TRP 7 6.672 -2.808 -11.115 53 HH2 TRP 7 HH2 TRP 7 6.216 -0.752 -12.349 54 H CYS 8 H CYS 8 6.541 -0.148 -5.336 55 HA CYS 8 HA CYS 8 7.060 2.558 -5.467 56 HB2 CYS 8 HB2 CYS 8 4.870 0.893 -4.689 57 HB3 CYS 8 HB3 CYS 8 5.033 2.189 -3.508 Start of MODEL 5 1 H1 GLY 1 H1 GLY 1 -0.412 2.207 -0.505 2 HA2 GLY 1 HA2 GLY 1 1.561 0.224 -1.394 3 HA3 GLY 1 HA3 GLY 1 -0.122 -0.101 -1.006 4 H CYS 2 H CYS 2 2.010 0.045 -3.477 5 HA CYS 2 HA CYS 2 -0.013 0.910 -5.432 6 HB2 CYS 2 HB2 CYS 2 2.942 0.557 -5.940 7 HB3 CYS 2 HB3 CYS 2 1.765 1.379 -6.960 8 H VAL 3 H VAL 3 -1.175 -0.893 -5.867 9 HA VAL 3 HA VAL 3 -0.252 -3.520 -5.937 10 HB VAL 3 HB VAL 3 -2.250 -3.943 -7.448 11 HG11 VAL 3 HG11 VAL 3 -2.671 -4.364 -5.220 12 HG12 VAL 3 HG12 VAL 3 -2.386 -2.690 -4.740 13 HG13 VAL 3 HG13 VAL 3 -3.874 -3.126 -5.580 14 HG21 VAL 3 HG21 VAL 3 -2.043 -1.225 -7.922 15 HG22 VAL 3 HG22 VAL 3 -3.393 -2.265 -8.374 16 HG23 VAL 3 HG23 VAL 3 -3.443 -1.365 -6.859 17 H DLE 4 H DLE 4 1.210 -4.525 -7.268 18 HA DLE 4 HA DLE 4 1.196 -3.676 -10.068 19 HB2 DLE 4 HB2 DLE 4 1.337 -6.207 -8.719 20 HB3 DLE 4 HB3 DLE 4 2.783 -5.984 -9.683 21 HG DLE 4 HG DLE 4 0.707 -5.201 -11.384 22 HD11 DLE 4 HD11 DLE 4 -0.138 -7.875 -10.340 23 HD12 DLE 4 HD12 DLE 4 -1.064 -6.649 -11.239 24 HD13 DLE 4 HD13 DLE 4 -0.704 -6.404 -9.513 25 HD21 DLE 4 HD21 DLE 4 1.518 -6.844 -12.772 26 HD22 DLE 4 HD22 DLE 4 1.780 -7.999 -11.443 27 HD23 DLE 4 HD23 DLE 4 2.891 -6.625 -11.661 28 H TYR 5 H TYR 5 2.363 -2.102 -7.985 29 HA TYR 5 HA TYR 5 5.190 -2.205 -8.808 30 HB2 TYR 5 HB2 TYR 5 3.762 0.264 -7.836 31 HB3 TYR 5 HB3 TYR 5 5.277 0.159 -8.726 32 HD1 TYR 5 HD1 TYR 5 4.463 -1.743 -10.882 33 HD2 TYR 5 HD2 TYR 5 2.449 1.620 -9.227 34 HE1 TYR 5 HE1 TYR 5 3.245 -1.440 -12.997 35 HE2 TYR 5 HE2 TYR 5 1.224 1.932 -11.338 36 HH TYR 5 HH TYR 5 1.170 1.344 -13.539 37 HA PRO 6 HA PRO 6 5.117 -3.004 -4.247 38 HB2 PRO 6 HB2 PRO 6 7.041 -4.918 -4.327 39 HB3 PRO 6 HB3 PRO 6 5.328 -5.266 -4.588 40 HG2 PRO 6 HG2 PRO 6 7.513 -4.892 -6.600 41 HG3 PRO 6 HG3 PRO 6 6.218 -6.103 -6.567 42 HD2 PRO 6 HD2 PRO 6 6.104 -3.892 -8.125 43 HD3 PRO 6 HD3 PRO 6 4.656 -4.640 -7.422 44 H TRP 7 H TRP 7 7.326 -1.876 -6.560 45 HA TRP 7 HA TRP 7 9.479 -1.422 -4.656 46 HB2 TRP 7 HB2 TRP 7 10.775 -0.671 -6.513 47 HB3 TRP 7 HB3 TRP 7 9.883 -2.087 -7.062 48 HD1 TRP 7 HD1 TRP 7 9.923 1.741 -7.443 49 HE1 TRP 7 HE1 TRP 7 8.681 2.351 -9.613 50 HE3 TRP 7 HE3 TRP 7 8.179 -2.895 -8.711 51 HZ2 TRP 7 HZ2 TRP 7 7.162 1.041 -11.599 52 HZ3 TRP 7 HZ3 TRP 7 6.839 -3.130 -10.761 53 HH2 TRP 7 HH2 TRP 7 6.342 -1.202 -12.174 54 H CYS 8 H CYS 8 6.624 0.027 -5.243 55 HA CYS 8 HA CYS 8 7.081 2.722 -5.612 56 HB2 CYS 8 HB2 CYS 8 4.924 1.085 -4.715 57 HB3 CYS 8 HB3 CYS 8 5.055 2.463 -3.626 Start of MODEL 6 1 H1 GLY 1 H1 GLY 1 1.751 2.242 -1.280 2 HA2 GLY 1 HA2 GLY 1 1.209 -0.124 -1.388 3 HA3 GLY 1 HA3 GLY 1 -0.450 0.297 -0.989 4 H CYS 2 H CYS 2 1.952 0.137 -3.500 5 HA CYS 2 HA CYS 2 -0.061 0.919 -5.496 6 HB2 CYS 2 HB2 CYS 2 2.903 0.573 -5.955 7 HB3 CYS 2 HB3 CYS 2 1.739 1.376 -7.004 8 H VAL 3 H VAL 3 -1.208 -0.902 -5.909 9 HA VAL 3 HA VAL 3 -0.262 -3.521 -5.937 10 HB VAL 3 HB VAL 3 -2.246 -3.981 -7.457 11 HG11 VAL 3 HG11 VAL 3 -2.260 -2.883 -4.726 12 HG12 VAL 3 HG12 VAL 3 -3.828 -2.928 -5.536 13 HG13 VAL 3 HG13 VAL 3 -2.892 -4.411 -5.341 14 HG21 VAL 3 HG21 VAL 3 -3.465 -1.406 -6.910 15 HG22 VAL 3 HG22 VAL 3 -2.058 -1.266 -7.965 16 HG23 VAL 3 HG23 VAL 3 -3.395 -2.325 -8.414 17 H DLE 4 H DLE 4 1.217 -4.533 -7.245 18 HA DLE 4 HA DLE 4 1.217 -3.720 -10.055 19 HB2 DLE 4 HB2 DLE 4 1.695 -6.242 -8.588 20 HB3 DLE 4 HB3 DLE 4 2.751 -5.947 -9.956 21 HG DLE 4 HG DLE 4 -0.261 -5.794 -10.173 22 HD11 DLE 4 HD11 DLE 4 0.443 -8.160 -11.382 23 HD12 DLE 4 HD12 DLE 4 -0.308 -7.993 -9.777 24 HD13 DLE 4 HD13 DLE 4 1.459 -8.155 -9.921 25 HD21 DLE 4 HD21 DLE 4 1.037 -6.627 -12.568 26 HD22 DLE 4 HD22 DLE 4 1.884 -5.188 -11.950 27 HD23 DLE 4 HD23 DLE 4 0.130 -5.128 -12.249 28 H TYR 5 H TYR 5 2.357 -2.113 -7.981 29 HA TYR 5 HA TYR 5 5.190 -2.202 -8.785 30 HB2 TYR 5 HB2 TYR 5 3.735 0.264 -7.849 31 HB3 TYR 5 HB3 TYR 5 5.258 0.163 -8.726 32 HD1 TYR 5 HD1 TYR 5 4.474 -1.770 -10.867 33 HD2 TYR 5 HD2 TYR 5 2.424 1.597 -9.266 34 HE1 TYR 5 HE1 TYR 5 3.270 -1.499 -12.994 35 HE2 TYR 5 HE2 TYR 5 1.214 1.877 -11.389 36 HH TYR 5 HH TYR 5 1.602 1.260 -13.824 37 HA PRO 6 HA PRO 6 5.095 -2.954 -4.217 38 HB2 PRO 6 HB2 PRO 6 7.034 -4.853 -4.264 39 HB3 PRO 6 HB3 PRO 6 5.326 -5.218 -4.532 40 HG2 PRO 6 HG2 PRO 6 7.520 -4.847 -6.534 41 HG3 PRO 6 HG3 PRO 6 6.235 -6.068 -6.496 42 HD2 PRO 6 HD2 PRO 6 6.113 -3.874 -8.078 43 HD3 PRO 6 HD3 PRO 6 4.667 -4.627 -7.377 44 H TRP 7 H TRP 7 7.310 -1.834 -6.528 45 HA TRP 7 HA TRP 7 9.447 -1.341 -4.615 46 HB2 TRP 7 HB2 TRP 7 10.749 -0.601 -6.472 47 HB3 TRP 7 HB3 TRP 7 9.872 -2.031 -7.010 48 HD1 TRP 7 HD1 TRP 7 9.885 1.793 -7.435 49 HE1 TRP 7 HE1 TRP 7 8.652 2.369 -9.620 50 HE3 TRP 7 HE3 TRP 7 8.185 -2.870 -8.661 51 HZ2 TRP 7 HZ2 TRP 7 7.157 1.024 -11.601 52 HZ3 TRP 7 HZ3 TRP 7 6.860 -3.140 -10.717 53 HH2 TRP 7 HH2 TRP 7 6.358 -1.232 -12.155 54 H CYS 8 H CYS 8 6.584 0.079 -5.238 55 HA CYS 8 HA CYS 8 7.023 2.773 -5.634 56 HB2 CYS 8 HB2 CYS 8 4.870 1.132 -4.755 57 HB3 CYS 8 HB3 CYS 8 4.985 2.500 -3.653 Start of MODEL 7 1 H1 GLY 1 H1 GLY 1 0.626 -1.031 -0.137 2 HA2 GLY 1 HA2 GLY 1 0.035 1.385 -1.058 3 HA3 GLY 1 HA3 GLY 1 1.580 0.647 -1.454 4 H CYS 2 H CYS 2 2.069 0.495 -3.537 5 HA CYS 2 HA CYS 2 0.001 1.059 -5.507 6 HB2 CYS 2 HB2 CYS 2 2.951 0.654 -6.010 7 HB3 CYS 2 HB3 CYS 2 1.782 1.460 -7.052 8 H VAL 3 H VAL 3 -1.183 -0.739 -5.894 9 HA VAL 3 HA VAL 3 -0.298 -3.379 -5.882 10 HB VAL 3 HB VAL 3 -2.297 -3.819 -7.387 11 HG11 VAL 3 HG11 VAL 3 -3.861 -2.734 -5.492 12 HG12 VAL 3 HG12 VAL 3 -2.908 -4.198 -5.243 13 HG13 VAL 3 HG13 VAL 3 -2.298 -2.640 -4.681 14 HG21 VAL 3 HG21 VAL 3 -3.414 -2.155 -8.365 15 HG22 VAL 3 HG22 VAL 3 -3.455 -1.206 -6.879 16 HG23 VAL 3 HG23 VAL 3 -2.051 -1.119 -7.943 17 H DLE 4 H DLE 4 1.154 -4.445 -7.177 18 HA DLE 4 HA DLE 4 1.160 -3.682 -10.002 19 HB2 DLE 4 HB2 DLE 4 1.383 -6.180 -8.531 20 HB3 DLE 4 HB3 DLE 4 2.701 -5.975 -9.667 21 HG DLE 4 HG DLE 4 -0.160 -5.581 -10.531 22 HD11 DLE 4 HD11 DLE 4 0.994 -8.209 -11.142 23 HD12 DLE 4 HD12 DLE 4 -0.642 -7.764 -10.601 24 HD13 DLE 4 HD13 DLE 4 0.669 -7.946 -9.412 25 HD21 DLE 4 HD21 DLE 4 1.166 -4.822 -12.241 26 HD22 DLE 4 HD22 DLE 4 1.007 -6.538 -12.687 27 HD23 DLE 4 HD23 DLE 4 2.485 -5.961 -11.879 28 H TYR 5 H TYR 5 2.342 -2.060 -7.967 29 HA TYR 5 HA TYR 5 5.170 -2.228 -8.775 30 HB2 TYR 5 HB2 TYR 5 3.773 0.290 -7.888 31 HB3 TYR 5 HB3 TYR 5 5.290 0.136 -8.767 32 HD1 TYR 5 HD1 TYR 5 4.457 -1.823 -10.864 33 HD2 TYR 5 HD2 TYR 5 2.487 1.621 -9.329 34 HE1 TYR 5 HE1 TYR 5 3.251 -1.571 -12.993 35 HE2 TYR 5 HE2 TYR 5 1.275 1.882 -11.453 36 HH TYR 5 HH TYR 5 0.798 0.944 -13.428 37 HA PRO 6 HA PRO 6 5.070 -2.880 -4.191 38 HB2 PRO 6 HB2 PRO 6 6.967 -4.823 -4.203 39 HB3 PRO 6 HB3 PRO 6 5.250 -5.155 -4.459 40 HG2 PRO 6 HG2 PRO 6 7.447 -4.876 -6.474 41 HG3 PRO 6 HG3 PRO 6 6.135 -6.067 -6.407 42 HD2 PRO 6 HD2 PRO 6 6.058 -3.905 -8.035 43 HD3 PRO 6 HD3 PRO 6 4.597 -4.610 -7.314 44 H TRP 7 H TRP 7 7.303 -1.857 -6.530 45 HA TRP 7 HA TRP 7 9.456 -1.373 -4.634 46 HB2 TRP 7 HB2 TRP 7 10.769 -0.700 -6.509 47 HB3 TRP 7 HB3 TRP 7 9.859 -2.121 -7.015 48 HD1 TRP 7 HD1 TRP 7 9.953 1.692 -7.519 49 HE1 TRP 7 HE1 TRP 7 8.727 2.249 -9.712 50 HE3 TRP 7 HE3 TRP 7 8.150 -2.957 -8.644 51 HZ2 TRP 7 HZ2 TRP 7 7.198 0.897 -11.661 52 HZ3 TRP 7 HZ3 TRP 7 6.814 -3.240 -10.691 53 HH2 TRP 7 HH2 TRP 7 6.348 -1.351 -12.167 54 H CYS 8 H CYS 8 6.623 0.096 -5.276 55 HA CYS 8 HA CYS 8 7.119 2.771 -5.730 56 HB2 CYS 8 HB2 CYS 8 4.940 1.192 -4.763 57 HB3 CYS 8 HB3 CYS 8 5.084 2.626 -3.752 Start of MODEL 8 1 H1 GLY 1 H1 GLY 1 1.272 -0.275 -0.880 2 HA2 GLY 1 HA2 GLY 1 -0.812 0.670 -1.309 3 HA3 GLY 1 HA3 GLY 1 -0.085 2.265 -1.193 4 H CYS 2 H CYS 2 1.313 -0.154 -3.258 5 HA CYS 2 HA CYS 2 0.085 1.101 -5.613 6 HB2 CYS 2 HB2 CYS 2 3.040 0.532 -5.287 7 HB3 CYS 2 HB3 CYS 2 2.266 1.139 -6.748 8 H VAL 3 H VAL 3 -1.215 -0.775 -5.776 9 HA VAL 3 HA VAL 3 -0.310 -3.410 -5.805 10 HB VAL 3 HB VAL 3 -2.341 -3.852 -7.265 11 HG11 VAL 3 HG11 VAL 3 -3.879 -2.822 -5.335 12 HG12 VAL 3 HG12 VAL 3 -2.869 -4.249 -5.096 13 HG13 VAL 3 HG13 VAL 3 -2.306 -2.667 -4.554 14 HG21 VAL 3 HG21 VAL 3 -3.508 -1.256 -6.710 15 HG22 VAL 3 HG22 VAL 3 -2.126 -1.143 -7.800 16 HG23 VAL 3 HG23 VAL 3 -3.488 -2.187 -8.207 17 H DLE 4 H DLE 4 1.109 -4.461 -7.147 18 HA DLE 4 HA DLE 4 1.052 -3.659 -9.961 19 HB2 DLE 4 HB2 DLE 4 0.910 -6.137 -8.735 20 HB3 DLE 4 HB3 DLE 4 2.580 -6.045 -9.259 21 HG DLE 4 HG DLE 4 0.385 -5.365 -11.195 22 HD11 DLE 4 HD11 DLE 4 0.386 -7.791 -9.847 23 HD12 DLE 4 HD12 DLE 4 1.234 -8.146 -11.371 24 HD13 DLE 4 HD13 DLE 4 -0.399 -7.438 -11.405 25 HD21 DLE 4 HD21 DLE 4 2.306 -6.760 -12.542 26 HD22 DLE 4 HD22 DLE 4 3.269 -5.950 -11.283 27 HD23 DLE 4 HD23 DLE 4 2.250 -4.988 -12.381 28 H TYR 5 H TYR 5 2.286 -2.083 -7.908 29 HA TYR 5 HA TYR 5 5.090 -2.229 -8.798 30 HB2 TYR 5 HB2 TYR 5 3.723 0.263 -7.801 31 HB3 TYR 5 HB3 TYR 5 5.212 0.133 -8.729 32 HD1 TYR 5 HD1 TYR 5 4.317 -1.764 -10.856 33 HD2 TYR 5 HD2 TYR 5 2.392 1.631 -9.162 34 HE1 TYR 5 HE1 TYR 5 3.049 -1.451 -12.940 35 HE2 TYR 5 HE2 TYR 5 1.118 1.953 -11.241 36 HH TYR 5 HH TYR 5 1.509 -0.258 -13.996 37 HA PRO 6 HA PRO 6 5.123 -3.013 -4.235 38 HB2 PRO 6 HB2 PRO 6 7.026 -4.945 -4.357 39 HB3 PRO 6 HB3 PRO 6 5.304 -5.278 -4.576 40 HG2 PRO 6 HG2 PRO 6 7.443 -4.929 -6.641 41 HG3 PRO 6 HG3 PRO 6 6.138 -6.128 -6.573 42 HD2 PRO 6 HD2 PRO 6 6.007 -3.919 -8.133 43 HD3 PRO 6 HD3 PRO 6 4.569 -4.652 -7.394 44 H TRP 7 H TRP 7 7.286 -1.911 -6.604 45 HA TRP 7 HA TRP 7 9.489 -1.473 -4.755 46 HB2 TRP 7 HB2 TRP 7 10.746 -0.737 -6.645 47 HB3 TRP 7 HB3 TRP 7 9.830 -2.149 -7.166 48 HD1 TRP 7 HD1 TRP 7 9.890 1.678 -7.562 49 HE1 TRP 7 HE1 TRP 7 8.600 2.290 -9.704 50 HE3 TRP 7 HE3 TRP 7 8.080 -2.948 -8.770 51 HZ2 TRP 7 HZ2 TRP 7 7.023 0.985 -11.647 52 HZ3 TRP 7 HZ3 TRP 7 6.689 -3.181 -10.786 53 HH2 TRP 7 HH2 TRP 7 6.172 -1.254 -12.193 54 H CYS 8 H CYS 8 6.634 0.000 -5.269 55 HA CYS 8 HA CYS 8 7.105 2.690 -5.659 56 HB2 CYS 8 HB2 CYS 8 4.957 1.078 -4.714 57 HB3 CYS 8 HB3 CYS 8 5.133 2.438 -3.610 Start of MODEL 9 1 H1 GLY 1 H1 GLY 1 -1.409 0.707 0.004 2 HA2 GLY 1 HA2 GLY 1 0.648 1.470 -1.020 3 HA3 GLY 1 HA3 GLY 1 0.506 -0.252 -1.342 4 H CYS 2 H CYS 2 1.314 -0.546 -3.321 5 HA CYS 2 HA CYS 2 0.117 0.996 -5.517 6 HB2 CYS 2 HB2 CYS 2 3.056 0.317 -5.278 7 HB3 CYS 2 HB3 CYS 2 2.293 1.125 -6.643 8 H VAL 3 H VAL 3 -1.228 -0.828 -5.868 9 HA VAL 3 HA VAL 3 -0.375 -3.459 -6.209 10 HB VAL 3 HB VAL 3 -2.429 -3.694 -7.685 11 HG11 VAL 3 HG11 VAL 3 -3.795 -3.858 -5.849 12 HG12 VAL 3 HG12 VAL 3 -2.213 -3.808 -5.070 13 HG13 VAL 3 HG13 VAL 3 -3.209 -2.354 -5.141 14 HG21 VAL 3 HG21 VAL 3 -3.555 -1.168 -6.829 15 HG22 VAL 3 HG22 VAL 3 -2.167 -0.937 -7.892 16 HG23 VAL 3 HG23 VAL 3 -3.537 -1.908 -8.430 17 H DLE 4 H DLE 4 1.010 -4.376 -7.679 18 HA DLE 4 HA DLE 4 0.941 -3.256 -10.382 19 HB2 DLE 4 HB2 DLE 4 1.919 -5.369 -11.078 20 HB3 DLE 4 HB3 DLE 4 0.392 -5.589 -10.246 21 HG DLE 4 HG DLE 4 2.405 -5.807 -8.265 22 HD11 DLE 4 HD11 DLE 4 3.589 -7.864 -9.314 23 HD12 DLE 4 HD12 DLE 4 4.176 -6.228 -9.699 24 HD13 DLE 4 HD13 DLE 4 3.161 -7.108 -10.867 25 HD21 DLE 4 HD21 DLE 4 1.623 -8.328 -8.531 26 HD22 DLE 4 HD22 DLE 4 0.379 -7.576 -9.558 27 HD23 DLE 4 HD23 DLE 4 0.554 -7.074 -7.859 28 H TYR 5 H TYR 5 2.228 -1.953 -8.172 29 HA TYR 5 HA TYR 5 5.019 -2.046 -9.110 30 HB2 TYR 5 HB2 TYR 5 3.712 0.337 -7.810 31 HB3 TYR 5 HB3 TYR 5 5.189 0.289 -8.766 32 HD1 TYR 5 HD1 TYR 5 4.234 -1.329 -11.089 33 HD2 TYR 5 HD2 TYR 5 2.396 1.881 -8.985 34 HE1 TYR 5 HE1 TYR 5 2.950 -0.750 -13.105 35 HE2 TYR 5 HE2 TYR 5 1.106 2.468 -10.996 36 HH TYR 5 HH TYR 5 0.465 0.645 -13.367 37 HA PRO 6 HA PRO 6 5.084 -3.360 -4.671 38 HB2 PRO 6 HB2 PRO 6 6.945 -5.302 -5.042 39 HB3 PRO 6 HB3 PRO 6 5.214 -5.573 -5.276 40 HG2 PRO 6 HG2 PRO 6 7.337 -5.027 -7.314 41 HG3 PRO 6 HG3 PRO 6 6.008 -6.199 -7.369 42 HD2 PRO 6 HD2 PRO 6 5.907 -3.820 -8.659 43 HD3 PRO 6 HD3 PRO 6 4.462 -4.607 -7.992 44 H TRP 7 H TRP 7 7.243 -2.031 -6.922 45 HA TRP 7 HA TRP 7 9.475 -1.856 -5.064 46 HB2 TRP 7 HB2 TRP 7 10.726 -0.928 -6.872 47 HB3 TRP 7 HB3 TRP 7 9.775 -2.250 -7.542 48 HD1 TRP 7 HD1 TRP 7 9.912 1.594 -7.488 49 HE1 TRP 7 HE1 TRP 7 8.613 2.480 -9.526 50 HE3 TRP 7 HE3 TRP 7 7.991 -2.821 -9.206 51 HZ2 TRP 7 HZ2 TRP 7 6.988 1.444 -11.588 52 HZ3 TRP 7 HZ3 TRP 7 6.574 -2.787 -11.217 53 HH2 TRP 7 HH2 TRP 7 6.083 -0.698 -12.382 54 H CYS 8 H CYS 8 6.646 -0.276 -5.366 55 HA CYS 8 HA CYS 8 7.169 2.431 -5.445 56 HB2 CYS 8 HB2 CYS 8 4.996 0.764 -4.677 57 HB3 CYS 8 HB3 CYS 8 5.213 1.970 -3.413 Start of MODEL 10 1 H1 GLY 1 H1 GLY 1 -1.919 0.286 -1.390 2 HA2 GLY 1 HA2 GLY 1 0.610 1.498 -1.225 3 HA3 GLY 1 HA3 GLY 1 0.841 -0.235 -1.402 4 H CYS 2 H CYS 2 1.799 -0.017 -3.434 5 HA CYS 2 HA CYS 2 0.015 0.925 -5.579 6 HB2 CYS 2 HB2 CYS 2 3.005 0.552 -5.773 7 HB3 CYS 2 HB3 CYS 2 1.951 1.398 -6.902 8 H VAL 3 H VAL 3 -1.124 -1.003 -5.838 9 HA VAL 3 HA VAL 3 -0.097 -3.570 -5.997 10 HB VAL 3 HB VAL 3 -2.086 -4.100 -7.426 11 HG11 VAL 3 HG11 VAL 3 -3.397 -4.184 -5.595 12 HG12 VAL 3 HG12 VAL 3 -1.950 -3.594 -4.776 13 HG13 VAL 3 HG13 VAL 3 -3.215 -2.463 -5.256 14 HG21 VAL 3 HG21 VAL 3 -3.767 -2.214 -7.622 15 HG22 VAL 3 HG22 VAL 3 -2.433 -1.116 -7.269 16 HG23 VAL 3 HG23 VAL 3 -2.378 -2.136 -8.706 17 H DLE 4 H DLE 4 1.336 -4.551 -7.380 18 HA DLE 4 HA DLE 4 1.305 -3.612 -10.150 19 HB2 DLE 4 HB2 DLE 4 1.920 -6.192 -8.797 20 HB3 DLE 4 HB3 DLE 4 2.800 -5.812 -10.264 21 HG DLE 4 HG DLE 4 0.702 -5.590 -11.507 22 HD11 DLE 4 HD11 DLE 4 -0.782 -4.747 -9.823 23 HD12 DLE 4 HD12 DLE 4 -0.619 -6.235 -8.859 24 HD13 DLE 4 HD13 DLE 4 -1.442 -6.282 -10.437 25 HD21 DLE 4 HD21 DLE 4 1.415 -7.726 -11.808 26 HD22 DLE 4 HD22 DLE 4 -0.120 -8.070 -10.976 27 HD23 DLE 4 HD23 DLE 4 1.410 -8.099 -10.068 28 H TYR 5 H TYR 5 2.457 -2.067 -8.058 29 HA TYR 5 HA TYR 5 5.287 -2.132 -8.874 30 HB2 TYR 5 HB2 TYR 5 3.837 0.308 -7.865 31 HB3 TYR 5 HB3 TYR 5 5.352 0.230 -8.758 32 HD1 TYR 5 HD1 TYR 5 4.556 -1.643 -10.943 33 HD2 TYR 5 HD2 TYR 5 2.506 1.670 -9.232 34 HE1 TYR 5 HE1 TYR 5 3.333 -1.317 -13.052 35 HE2 TYR 5 HE2 TYR 5 1.277 2.004 -11.336 36 HH TYR 5 HH TYR 5 1.746 -0.172 -14.102 37 HA PRO 6 HA PRO 6 5.225 -3.008 -4.330 38 HB2 PRO 6 HB2 PRO 6 7.187 -4.881 -4.440 39 HB3 PRO 6 HB3 PRO 6 5.483 -5.259 -4.713 40 HG2 PRO 6 HG2 PRO 6 7.664 -4.803 -6.711 41 HG3 PRO 6 HG3 PRO 6 6.395 -6.040 -6.704 42 HD2 PRO 6 HD2 PRO 6 6.240 -3.802 -8.220 43 HD3 PRO 6 HD3 PRO 6 4.805 -4.593 -7.536 44 H TRP 7 H TRP 7 7.415 -1.791 -6.614 45 HA TRP 7 HA TRP 7 9.555 -1.330 -4.697 46 HB2 TRP 7 HB2 TRP 7 10.837 -0.512 -6.537 47 HB3 TRP 7 HB3 TRP 7 9.982 -1.941 -7.111 48 HD1 TRP 7 HD1 TRP 7 9.925 1.893 -7.428 49 HE1 TRP 7 HE1 TRP 7 8.673 2.508 -9.591 50 HE3 TRP 7 HE3 TRP 7 8.305 -2.763 -8.779 51 HZ2 TRP 7 HZ2 TRP 7 7.194 1.193 -11.603 52 HZ3 TRP 7 HZ3 TRP 7 6.976 -2.999 -10.837 53 HH2 TRP 7 HH2 TRP 7 6.433 -1.060 -12.218 54 H CYS 8 H CYS 8 6.672 0.066 -5.241 55 HA CYS 8 HA CYS 8 7.064 2.776 -5.568 56 HB2 CYS 8 HB2 CYS 8 4.946 1.085 -4.730 57 HB3 CYS 8 HB3 CYS 8 5.065 2.388 -3.553
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