NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
568137 | 2m6h | 19133 | 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 H GLY 1 1.811 -0.001 0.854 2 HA2 GLY 1 HA2 GLY 1 1.901 0.939 -1.754 3 HA3 GLY 1 HA3 GLY 1 3.125 -0.091 -1.026 4 H CYS 2 H CYS 2 3.520 -1.251 -2.902 5 HA CYS 2 HA CYS 2 1.290 -2.921 -3.862 6 HB2 CYS 2 HB2 CYS 2 3.839 -2.344 -5.371 7 HB3 CYS 2 HB3 CYS 2 2.344 -3.033 -5.996 8 HA PRO 3 HA PRO 3 3.318 -6.562 -2.487 9 HB2 PRO 3 HB2 PRO 3 2.601 -8.332 -4.417 10 HB3 PRO 3 HB3 PRO 3 1.469 -7.722 -3.204 11 HG2 PRO 3 HG2 PRO 3 1.859 -6.849 -6.041 12 HG3 PRO 3 HG3 PRO 3 0.349 -7.111 -5.149 13 HD2 PRO 3 HD2 PRO 3 1.392 -4.645 -5.555 14 HD3 PRO 3 HD3 PRO 3 0.468 -5.063 -4.098 15 H DTR 4 H DTR 4 5.576 -6.505 -2.542 16 HA DTR 4 HA DTR 4 6.750 -7.302 -5.104 17 HB2 DTR 4 HB2 DTR 4 7.412 -7.783 -2.250 18 HB3 DTR 4 HB3 DTR 4 8.763 -7.580 -3.349 19 HD1 DTR 4 HD1 DTR 4 5.426 -9.570 -3.872 20 HE1 DTR 4 HE1 DTR 4 5.943 -12.044 -4.631 21 HZ2 DTR 4 HZ2 DTR 4 8.356 -13.510 -5.041 22 HH2 DTR 4 HH2 DTR 4 10.864 -13.270 -4.919 23 HZ3 DTR 4 HZ3 DTR 4 11.851 -11.141 -4.238 24 HE3 DTR 4 HE3 DTR 4 10.487 -9.141 -3.642 25 H ASP 5 H ASP 5 5.772 -4.624 -4.330 26 HA ASP 5 HA ASP 5 8.293 -3.106 -4.286 27 HB2 ASP 5 HB2 ASP 5 7.191 -3.362 -6.600 28 HB3 ASP 5 HB3 ASP 5 5.948 -2.277 -5.982 29 HA PRO 6 HA PRO 6 5.423 -1.537 -1.023 30 HB2 PRO 6 HB2 PRO 6 7.372 -1.197 0.836 31 HB3 PRO 6 HB3 PRO 6 6.540 -2.736 0.587 32 HG2 PRO 6 HG2 PRO 6 9.215 -1.845 -0.419 33 HG3 PRO 6 HG3 PRO 6 8.743 -3.410 0.268 34 HD2 PRO 6 HD2 PRO 6 8.994 -3.005 -2.397 35 HD3 PRO 6 HD3 PRO 6 7.814 -4.140 -1.711 36 H TRP 7 H TRP 7 8.055 -0.359 -2.800 37 HA TRP 7 HA TRP 7 7.699 2.352 -1.706 38 HB2 TRP 7 HB2 TRP 7 10.034 0.966 -2.970 39 HB3 TRP 7 HB3 TRP 7 9.904 2.718 -3.086 40 HD1 TRP 7 HD1 TRP 7 11.557 0.290 -1.043 41 HE1 TRP 7 HE1 TRP 7 12.071 1.182 1.316 42 HE3 TRP 7 HE3 TRP 7 8.455 4.354 -1.018 43 HZ2 TRP 7 HZ2 TRP 7 11.268 3.324 2.969 44 HZ3 TRP 7 HZ3 TRP 7 8.387 5.773 0.991 45 HH2 TRP 7 HH2 TRP 7 9.764 5.266 2.943 46 H CYS 8 H CYS 8 6.234 0.706 -3.882 47 HA CYS 8 HA CYS 8 6.697 1.965 -6.363 48 HB2 CYS 8 HB2 CYS 8 4.653 0.959 -7.089 49 HB3 CYS 8 HB3 CYS 8 5.430 -0.181 -5.994 Start of MODEL 2 1 H1 GLY 1 H GLY 1 1.291 0.373 0.825 2 HA2 GLY 1 HA2 GLY 1 1.881 0.784 -1.524 3 HA3 GLY 1 HA3 GLY 1 3.023 -0.347 -0.812 4 H CYS 2 H CYS 2 3.506 -1.366 -2.747 5 HA CYS 2 HA CYS 2 1.294 -2.862 -3.991 6 HB2 CYS 2 HB2 CYS 2 3.959 -2.261 -5.272 7 HB3 CYS 2 HB3 CYS 2 2.490 -2.837 -6.053 8 HA PRO 3 HA PRO 3 3.100 -6.680 -2.801 9 HB2 PRO 3 HB2 PRO 3 2.459 -8.255 -4.918 10 HB3 PRO 3 HB3 PRO 3 1.267 -7.704 -3.735 11 HG2 PRO 3 HG2 PRO 3 1.881 -6.614 -6.455 12 HG3 PRO 3 HG3 PRO 3 0.306 -6.890 -5.690 13 HD2 PRO 3 HD2 PRO 3 1.456 -4.442 -5.815 14 HD3 PRO 3 HD3 PRO 3 0.419 -4.942 -4.463 15 H DTR 4 H DTR 4 5.357 -6.707 -2.701 16 HA DTR 4 HA DTR 4 6.678 -7.335 -5.238 17 HB2 DTR 4 HB2 DTR 4 7.054 -8.144 -2.428 18 HB3 DTR 4 HB3 DTR 4 8.534 -7.785 -3.296 19 HD1 DTR 4 HD1 DTR 4 5.438 -9.550 -4.869 20 HE1 DTR 4 HE1 DTR 4 6.081 -11.954 -5.746 21 HZ2 DTR 4 HZ2 DTR 4 8.456 -13.531 -5.596 22 HH2 DTR 4 HH2 DTR 4 10.812 -13.481 -4.699 23 HZ3 DTR 4 HZ3 DTR 4 11.612 -11.513 -3.490 24 HE3 DTR 4 HE3 DTR 4 10.198 -9.501 -3.082 25 H ASP 5 H ASP 5 5.738 -4.694 -4.306 26 HA ASP 5 HA ASP 5 8.299 -3.284 -3.966 27 HB2 ASP 5 HB2 ASP 5 6.100 -2.668 -5.942 28 HB3 ASP 5 HB3 ASP 5 7.372 -1.523 -5.527 29 HA PRO 6 HA PRO 6 5.265 -1.880 -0.777 30 HB2 PRO 6 HB2 PRO 6 7.092 -1.772 1.228 31 HB3 PRO 6 HB3 PRO 6 6.228 -3.251 0.795 32 HG2 PRO 6 HG2 PRO 6 8.994 -2.385 0.047 33 HG3 PRO 6 HG3 PRO 6 8.424 -3.982 0.565 34 HD2 PRO 6 HD2 PRO 6 8.872 -3.368 -2.033 35 HD3 PRO 6 HD3 PRO 6 7.610 -4.509 -1.526 36 H TRP 7 H TRP 7 8.052 -0.662 -2.270 37 HA TRP 7 HA TRP 7 7.712 1.961 -0.975 38 HB2 TRP 7 HB2 TRP 7 9.987 0.793 -0.899 39 HB3 TRP 7 HB3 TRP 7 10.090 1.121 -2.627 40 HD1 TRP 7 HD1 TRP 7 11.144 3.368 -3.265 41 HE1 TRP 7 HE1 TRP 7 11.701 5.556 -2.028 42 HE3 TRP 7 HE3 TRP 7 8.973 2.325 1.244 43 HZ2 TRP 7 HZ2 TRP 7 11.276 6.689 0.522 44 HZ3 TRP 7 HZ3 TRP 7 9.094 4.014 3.030 45 HH2 TRP 7 HH2 TRP 7 10.222 6.150 2.674 46 H CYS 8 H CYS 8 6.345 0.560 -3.374 47 HA CYS 8 HA CYS 8 7.021 2.001 -5.702 48 HB2 CYS 8 HB2 CYS 8 4.999 1.139 -6.645 49 HB3 CYS 8 HB3 CYS 8 5.660 -0.117 -5.603 Start of MODEL 3 1 H1 GLY 1 H GLY 1 2.333 -1.663 0.218 2 HA2 GLY 1 HA2 GLY 1 1.298 0.447 -1.452 3 HA3 GLY 1 HA3 GLY 1 3.019 0.169 -1.667 4 H CYS 2 H CYS 2 3.684 -1.469 -2.938 5 HA CYS 2 HA CYS 2 1.592 -3.233 -4.030 6 HB2 CYS 2 HB2 CYS 2 4.194 -2.534 -5.388 7 HB3 CYS 2 HB3 CYS 2 2.771 -3.287 -6.100 8 HA PRO 3 HA PRO 3 3.701 -6.784 -2.546 9 HB2 PRO 3 HB2 PRO 3 3.178 -8.576 -4.517 10 HB3 PRO 3 HB3 PRO 3 1.951 -8.023 -3.371 11 HG2 PRO 3 HG2 PRO 3 2.464 -7.121 -6.179 12 HG3 PRO 3 HG3 PRO 3 0.919 -7.455 -5.376 13 HD2 PRO 3 HD2 PRO 3 1.870 -4.943 -5.717 14 HD3 PRO 3 HD3 PRO 3 0.883 -5.408 -4.317 15 H DTR 4 H DTR 4 5.954 -6.622 -2.470 16 HA DTR 4 HA DTR 4 7.309 -7.355 -4.961 17 HB2 DTR 4 HB2 DTR 4 8.120 -7.555 -2.061 18 HB3 DTR 4 HB3 DTR 4 9.237 -7.805 -3.388 19 HD1 DTR 4 HD1 DTR 4 7.117 -9.799 -1.198 20 HE1 DTR 4 HE1 DTR 4 6.556 -12.208 -2.116 21 HZ2 DTR 4 HZ2 DTR 4 6.768 -13.430 -4.687 22 HH2 DTR 4 HH2 DTR 4 7.483 -12.946 -7.056 23 HZ3 DTR 4 HZ3 DTR 4 8.336 -10.732 -7.641 24 HE3 DTR 4 HE3 DTR 4 8.545 -8.876 -5.990 25 H ASP 5 H ASP 5 6.166 -4.728 -4.243 26 HA ASP 5 HA ASP 5 8.608 -3.096 -4.053 27 HB2 ASP 5 HB2 ASP 5 7.743 -3.354 -6.424 28 HB3 ASP 5 HB3 ASP 5 6.313 -2.463 -5.910 29 HA PRO 6 HA PRO 6 5.490 -1.673 -0.954 30 HB2 PRO 6 HB2 PRO 6 7.313 -1.253 1.012 31 HB3 PRO 6 HB3 PRO 6 6.568 -2.828 0.714 32 HG2 PRO 6 HG2 PRO 6 9.252 -1.812 -0.137 33 HG3 PRO 6 HG3 PRO 6 8.813 -3.399 0.519 34 HD2 PRO 6 HD2 PRO 6 9.196 -2.972 -2.127 35 HD3 PRO 6 HD3 PRO 6 8.032 -4.163 -1.510 36 H TRP 7 H TRP 7 8.162 -0.369 -2.577 37 HA TRP 7 HA TRP 7 7.621 2.318 -1.501 38 HB2 TRP 7 HB2 TRP 7 10.084 0.970 -2.434 39 HB3 TRP 7 HB3 TRP 7 9.906 2.655 -2.912 40 HD1 TRP 7 HD1 TRP 7 11.540 0.819 -0.347 41 HE1 TRP 7 HE1 TRP 7 11.806 2.169 1.829 42 HE3 TRP 7 HE3 TRP 7 8.145 4.528 -1.272 43 HZ2 TRP 7 HZ2 TRP 7 10.720 4.496 2.998 44 HZ3 TRP 7 HZ3 TRP 7 7.818 6.278 0.427 45 HH2 TRP 7 HH2 TRP 7 9.079 6.260 2.517 46 H CYS 8 H CYS 8 6.357 0.617 -3.758 47 HA CYS 8 HA CYS 8 6.904 1.907 -6.206 48 HB2 CYS 8 HB2 CYS 8 4.954 0.811 -7.051 49 HB3 CYS 8 HB3 CYS 8 5.718 -0.296 -5.915 Start of MODEL 4 1 H1 GLY 1 H GLY 1 0.481 -0.397 -0.127 2 HA2 GLY 1 HA2 GLY 1 1.984 1.061 -1.901 3 HA3 GLY 1 HA3 GLY 1 3.140 -0.002 -1.112 4 H CYS 2 H CYS 2 3.603 -1.202 -2.938 5 HA CYS 2 HA CYS 2 1.374 -2.789 -4.031 6 HB2 CYS 2 HB2 CYS 2 4.033 -2.319 -5.379 7 HB3 CYS 2 HB3 CYS 2 2.555 -2.955 -6.095 8 HA PRO 3 HA PRO 3 3.171 -6.497 -2.518 9 HB2 PRO 3 HB2 PRO 3 2.508 -8.250 -4.482 10 HB3 PRO 3 HB3 PRO 3 1.327 -7.589 -3.345 11 HG2 PRO 3 HG2 PRO 3 1.927 -6.750 -6.155 12 HG3 PRO 3 HG3 PRO 3 0.355 -6.948 -5.358 13 HD2 PRO 3 HD2 PRO 3 1.516 -4.527 -5.709 14 HD3 PRO 3 HD3 PRO 3 0.487 -4.899 -4.311 15 H DTR 4 H DTR 4 5.428 -6.527 -2.431 16 HA DTR 4 HA DTR 4 6.728 -7.384 -4.912 17 HB2 DTR 4 HB2 DTR 4 7.165 -7.898 -2.028 18 HB3 DTR 4 HB3 DTR 4 8.609 -7.706 -3.002 19 HD1 DTR 4 HD1 DTR 4 5.388 -9.914 -3.015 20 HE1 DTR 4 HE1 DTR 4 5.892 -12.281 -4.065 21 HZ2 DTR 4 HZ2 DTR 4 8.194 -13.438 -5.292 22 HH2 DTR 4 HH2 DTR 4 10.578 -12.908 -5.923 23 HZ3 DTR 4 HZ3 DTR 4 11.506 -10.701 -5.429 24 HE3 DTR 4 HE3 DTR 4 10.199 -8.898 -4.309 25 H ASP 5 H ASP 5 5.808 -4.666 -4.211 26 HA ASP 5 HA ASP 5 8.378 -3.246 -4.016 27 HB2 ASP 5 HB2 ASP 5 6.144 -2.516 -5.919 28 HB3 ASP 5 HB3 ASP 5 7.717 -1.734 -5.787 29 HA PRO 6 HA PRO 6 5.377 -1.548 -0.942 30 HB2 PRO 6 HB2 PRO 6 7.220 -1.271 1.032 31 HB3 PRO 6 HB3 PRO 6 6.346 -2.779 0.738 32 HG2 PRO 6 HG2 PRO 6 9.110 -1.997 -0.105 33 HG3 PRO 6 HG3 PRO 6 8.537 -3.538 0.558 34 HD2 PRO 6 HD2 PRO 6 8.966 -3.160 -2.089 35 HD3 PRO 6 HD3 PRO 6 7.704 -4.245 -1.472 36 H TRP 7 H TRP 7 8.156 -0.482 -2.558 37 HA TRP 7 HA TRP 7 7.836 2.248 -1.500 38 HB2 TRP 7 HB2 TRP 7 10.143 0.746 -1.750 39 HB3 TRP 7 HB3 TRP 7 10.187 1.780 -3.175 40 HD1 TRP 7 HD1 TRP 7 11.627 3.828 -2.698 41 HE1 TRP 7 HE1 TRP 7 11.996 5.412 -0.703 42 HE3 TRP 7 HE3 TRP 7 8.529 1.590 0.698 43 HZ2 TRP 7 HZ2 TRP 7 11.093 5.677 1.959 44 HZ3 TRP 7 HZ3 TRP 7 8.339 2.571 2.946 45 HH2 TRP 7 HH2 TRP 7 9.595 4.572 3.562 46 H CYS 8 H CYS 8 6.448 0.644 -3.756 47 HA CYS 8 HA CYS 8 7.114 1.867 -6.208 48 HB2 CYS 8 HB2 CYS 8 5.081 0.936 -7.056 49 HB3 CYS 8 HB3 CYS 8 5.742 -0.225 -5.910 Start of MODEL 5 1 H1 GLY 1 H GLY 1 0.539 -1.223 0.349 2 HA2 GLY 1 HA2 GLY 1 2.440 0.185 -1.140 3 HA3 GLY 1 HA3 GLY 1 3.286 -1.098 -0.287 4 H CYS 2 H CYS 2 3.707 -1.646 -2.637 5 HA CYS 2 HA CYS 2 1.500 -3.275 -3.712 6 HB2 CYS 2 HB2 CYS 2 3.884 -2.282 -5.273 7 HB3 CYS 2 HB3 CYS 2 2.384 -2.954 -5.902 8 HA PRO 3 HA PRO 3 3.825 -6.952 -3.136 9 HB2 PRO 3 HB2 PRO 3 3.051 -8.415 -5.288 10 HB3 PRO 3 HB3 PRO 3 1.989 -8.095 -3.911 11 HG2 PRO 3 HG2 PRO 3 2.102 -6.731 -6.574 12 HG3 PRO 3 HG3 PRO 3 0.685 -7.240 -5.637 13 HD2 PRO 3 HD2 PRO 3 1.558 -4.678 -5.682 14 HD3 PRO 3 HD3 PRO 3 0.778 -5.396 -4.258 15 H DTR 4 H DTR 4 6.065 -6.737 -3.338 16 HA DTR 4 HA DTR 4 7.069 -7.010 -6.076 17 HB2 DTR 4 HB2 DTR 4 8.424 -7.548 -3.426 18 HB3 DTR 4 HB3 DTR 4 9.144 -7.772 -5.008 19 HD1 DTR 4 HD1 DTR 4 6.394 -9.186 -6.277 20 HE1 DTR 4 HE1 DTR 4 5.850 -11.709 -5.728 21 HZ2 DTR 4 HZ2 DTR 4 6.668 -13.491 -3.654 22 HH2 DTR 4 HH2 DTR 4 8.106 -13.592 -1.585 23 HZ3 DTR 4 HZ3 DTR 4 9.349 -11.614 -0.868 24 HE3 DTR 4 HE3 DTR 4 9.277 -9.446 -2.096 25 H ASP 5 H ASP 5 6.015 -4.572 -4.782 26 HA ASP 5 HA ASP 5 8.446 -2.919 -4.653 27 HB2 ASP 5 HB2 ASP 5 7.294 -2.799 -6.898 28 HB3 ASP 5 HB3 ASP 5 5.911 -2.087 -6.070 29 HA PRO 6 HA PRO 6 5.768 -2.117 -0.974 30 HB2 PRO 6 HB2 PRO 6 7.839 -1.967 0.774 31 HB3 PRO 6 HB3 PRO 6 7.073 -3.494 0.321 32 HG2 PRO 6 HG2 PRO 6 9.607 -2.270 -0.700 33 HG3 PRO 6 HG3 PRO 6 9.276 -3.957 -0.263 34 HD2 PRO 6 HD2 PRO 6 9.290 -3.092 -2.829 35 HD3 PRO 6 HD3 PRO 6 8.232 -4.402 -2.269 36 H TRP 7 H TRP 7 8.182 -0.484 -2.700 37 HA TRP 7 HA TRP 7 7.771 1.974 -1.130 38 HB2 TRP 7 HB2 TRP 7 10.146 0.912 -1.674 39 HB3 TRP 7 HB3 TRP 7 9.925 1.789 -3.185 40 HD1 TRP 7 HD1 TRP 7 10.894 4.148 -3.142 41 HE1 TRP 7 HE1 TRP 7 11.405 5.908 -1.335 42 HE3 TRP 7 HE3 TRP 7 9.107 1.654 0.948 43 HZ2 TRP 7 HZ2 TRP 7 11.092 6.201 1.455 44 HZ3 TRP 7 HZ3 TRP 7 9.251 2.744 3.150 45 HH2 TRP 7 HH2 TRP 7 10.224 4.970 3.396 46 H CYS 8 H CYS 8 6.224 0.625 -3.450 47 HA CYS 8 HA CYS 8 6.417 2.314 -5.700 48 HB2 CYS 8 HB2 CYS 8 4.378 1.310 -6.445 49 HB3 CYS 8 HB3 CYS 8 5.301 0.056 -5.621 Start of MODEL 6 1 H1 GLY 1 H GLY 1 0.613 0.266 0.117 2 HA2 GLY 1 HA2 GLY 1 2.384 0.580 -1.481 3 HA3 GLY 1 HA3 GLY 1 3.247 -0.750 -0.723 4 H CYS 2 H CYS 2 3.467 -1.543 -2.932 5 HA CYS 2 HA CYS 2 1.016 -2.853 -3.909 6 HB2 CYS 2 HB2 CYS 2 3.503 -2.323 -5.535 7 HB3 CYS 2 HB3 CYS 2 1.907 -2.781 -6.119 8 HA PRO 3 HA PRO 3 2.743 -6.819 -3.169 9 HB2 PRO 3 HB2 PRO 3 1.717 -8.243 -5.241 10 HB3 PRO 3 HB3 PRO 3 0.739 -7.694 -3.874 11 HG2 PRO 3 HG2 PRO 3 1.024 -6.494 -6.601 12 HG3 PRO 3 HG3 PRO 3 -0.440 -6.728 -5.630 13 HD2 PRO 3 HD2 PRO 3 0.823 -4.340 -5.808 14 HD3 PRO 3 HD3 PRO 3 -0.038 -4.857 -4.345 15 H DTR 4 H DTR 4 4.986 -6.969 -3.399 16 HA DTR 4 HA DTR 4 5.894 -7.527 -6.127 17 HB2 DTR 4 HB2 DTR 4 7.650 -8.765 -5.202 18 HB3 DTR 4 HB3 DTR 4 6.216 -9.226 -4.308 19 HD1 DTR 4 HD1 DTR 4 6.025 -8.102 -1.730 20 HE1 DTR 4 HE1 DTR 4 7.863 -7.478 0.058 21 HZ2 DTR 4 HZ2 DTR 4 10.673 -7.005 -0.094 22 HH2 DTR 4 HH2 DTR 4 12.584 -6.941 -1.740 23 HZ3 DTR 4 HZ3 DTR 4 12.171 -7.410 -4.103 24 HE3 DTR 4 HE3 DTR 4 9.913 -7.961 -5.004 25 H ASP 5 H ASP 5 5.255 -4.895 -4.948 26 HA ASP 5 HA ASP 5 7.917 -3.641 -4.917 27 HB2 ASP 5 HB2 ASP 5 6.642 -3.483 -7.149 28 HB3 ASP 5 HB3 ASP 5 5.562 -2.378 -6.303 29 HA PRO 6 HA PRO 6 5.453 -2.253 -1.264 30 HB2 PRO 6 HB2 PRO 6 7.549 -2.347 0.460 31 HB3 PRO 6 HB3 PRO 6 6.546 -3.755 0.089 32 HG2 PRO 6 HG2 PRO 6 9.225 -2.994 -1.010 33 HG3 PRO 6 HG3 PRO 6 8.641 -4.585 -0.488 34 HD2 PRO 6 HD2 PRO 6 8.752 -3.857 -3.094 35 HD3 PRO 6 HD3 PRO 6 7.509 -4.957 -2.462 36 H TRP 7 H TRP 7 8.067 -1.104 -3.086 37 HA TRP 7 HA TRP 7 8.069 1.460 -1.637 38 HB2 TRP 7 HB2 TRP 7 10.157 0.035 -3.241 39 HB3 TRP 7 HB3 TRP 7 10.201 1.793 -3.140 40 HD1 TRP 7 HD1 TRP 7 11.778 -0.982 -1.558 41 HE1 TRP 7 HE1 TRP 7 12.522 -0.457 0.849 42 HE3 TRP 7 HE3 TRP 7 9.006 3.238 -0.753 43 HZ2 TRP 7 HZ2 TRP 7 12.002 1.487 2.828 44 HZ3 TRP 7 HZ3 TRP 7 9.187 4.370 1.424 45 HH2 TRP 7 HH2 TRP 7 10.654 3.511 3.176 46 H CYS 8 H CYS 8 6.296 0.263 -3.875 47 HA CYS 8 HA CYS 8 6.719 1.789 -6.208 48 HB2 CYS 8 HB2 CYS 8 4.536 1.085 -6.887 49 HB3 CYS 8 HB3 CYS 8 5.263 -0.257 -6.010 Start of MODEL 7 1 H1 GLY 1 H GLY 1 1.362 -1.839 1.018 2 HA2 GLY 1 HA2 GLY 1 2.220 0.070 -1.068 3 HA3 GLY 1 HA3 GLY 1 3.275 -1.146 -0.363 4 H CYS 2 H CYS 2 3.653 -1.705 -2.639 5 HA CYS 2 HA CYS 2 1.491 -3.376 -3.741 6 HB2 CYS 2 HB2 CYS 2 3.830 -2.269 -5.293 7 HB3 CYS 2 HB3 CYS 2 2.348 -2.975 -5.929 8 HA PRO 3 HA PRO 3 3.938 -6.988 -3.267 9 HB2 PRO 3 HB2 PRO 3 3.195 -8.424 -5.448 10 HB3 PRO 3 HB3 PRO 3 2.134 -8.171 -4.057 11 HG2 PRO 3 HG2 PRO 3 2.183 -6.743 -6.688 12 HG3 PRO 3 HG3 PRO 3 0.790 -7.319 -5.753 13 HD2 PRO 3 HD2 PRO 3 1.580 -4.729 -5.744 14 HD3 PRO 3 HD3 PRO 3 0.833 -5.505 -4.332 15 H DTR 4 H DTR 4 6.168 -6.693 -3.479 16 HA DTR 4 HA DTR 4 7.161 -6.870 -6.228 17 HB2 DTR 4 HB2 DTR 4 8.656 -7.352 -3.649 18 HB3 DTR 4 HB3 DTR 4 9.215 -7.681 -5.277 19 HD1 DTR 4 HD1 DTR 4 6.800 -9.325 -6.476 20 HE1 DTR 4 HE1 DTR 4 6.110 -11.725 -5.623 21 HZ2 DTR 4 HZ2 DTR 4 6.539 -13.142 -3.183 22 HH2 DTR 4 HH2 DTR 4 7.623 -12.903 -0.919 23 HZ3 DTR 4 HZ3 DTR 4 8.787 -10.833 -0.339 24 HE3 DTR 4 HE3 DTR 4 8.969 -8.895 -1.897 25 H ASP 5 H ASP 5 6.037 -4.499 -4.872 26 HA ASP 5 HA ASP 5 8.413 -2.770 -4.721 27 HB2 ASP 5 HB2 ASP 5 5.922 -2.393 -6.367 28 HB3 ASP 5 HB3 ASP 5 6.910 -1.019 -5.879 29 HA PRO 6 HA PRO 6 5.744 -2.144 -1.003 30 HB2 PRO 6 HB2 PRO 6 7.825 -1.966 0.731 31 HB3 PRO 6 HB3 PRO 6 7.106 -3.507 0.248 32 HG2 PRO 6 HG2 PRO 6 9.589 -2.175 -0.764 33 HG3 PRO 6 HG3 PRO 6 9.318 -3.881 -0.365 34 HD2 PRO 6 HD2 PRO 6 9.280 -2.957 -2.910 35 HD3 PRO 6 HD3 PRO 6 8.271 -4.315 -2.372 36 H TRP 7 H TRP 7 8.087 -0.391 -2.709 37 HA TRP 7 HA TRP 7 7.607 2.015 -1.080 38 HB2 TRP 7 HB2 TRP 7 10.014 1.026 -1.700 39 HB3 TRP 7 HB3 TRP 7 9.745 1.991 -3.149 40 HD1 TRP 7 HD1 TRP 7 10.061 4.571 -2.952 41 HE1 TRP 7 HE1 TRP 7 10.770 6.148 -1.046 42 HE3 TRP 7 HE3 TRP 7 9.797 1.288 0.959 43 HZ2 TRP 7 HZ2 TRP 7 11.166 6.018 1.746 44 HZ3 TRP 7 HZ3 TRP 7 10.358 2.095 3.215 45 HH2 TRP 7 HH2 TRP 7 11.028 4.411 3.598 46 H CYS 8 H CYS 8 6.089 0.670 -3.419 47 HA CYS 8 HA CYS 8 6.211 2.413 -5.632 48 HB2 CYS 8 HB2 CYS 8 4.199 1.362 -6.384 49 HB3 CYS 8 HB3 CYS 8 5.168 0.120 -5.598 Start of MODEL 8 1 H1 GLY 1 H GLY 1 0.394 -0.036 0.097 2 HA2 GLY 1 HA2 GLY 1 2.612 0.447 -1.748 3 HA3 GLY 1 HA3 GLY 1 2.615 -0.671 -0.392 4 H CYS 2 H CYS 2 3.588 -1.384 -2.892 5 HA CYS 2 HA CYS 2 1.514 -3.220 -3.897 6 HB2 CYS 2 HB2 CYS 2 4.006 -2.391 -5.384 7 HB3 CYS 2 HB3 CYS 2 2.578 -3.193 -6.029 8 HA PRO 3 HA PRO 3 3.850 -6.698 -2.591 9 HB2 PRO 3 HB2 PRO 3 3.294 -8.483 -4.560 10 HB3 PRO 3 HB3 PRO 3 2.111 -8.000 -3.339 11 HG2 PRO 3 HG2 PRO 3 2.429 -7.036 -6.156 12 HG3 PRO 3 HG3 PRO 3 0.946 -7.447 -5.275 13 HD2 PRO 3 HD2 PRO 3 1.770 -4.892 -5.626 14 HD3 PRO 3 HD3 PRO 3 0.883 -5.419 -4.181 15 H DTR 4 H DTR 4 6.095 -6.444 -2.636 16 HA DTR 4 HA DTR 4 7.339 -7.080 -5.210 17 HB2 DTR 4 HB2 DTR 4 8.477 -7.179 -2.410 18 HB3 DTR 4 HB3 DTR 4 9.323 -7.623 -3.879 19 HD1 DTR 4 HD1 DTR 4 6.406 -8.881 -1.658 20 HE1 DTR 4 HE1 DTR 4 5.965 -11.454 -2.048 21 HZ2 DTR 4 HZ2 DTR 4 7.004 -13.369 -3.891 22 HH2 DTR 4 HH2 DTR 4 8.624 -13.593 -5.810 23 HZ3 DTR 4 HZ3 DTR 4 9.887 -11.643 -6.571 24 HE3 DTR 4 HE3 DTR 4 9.660 -9.388 -5.533 25 H ASP 5 H ASP 5 6.130 -4.515 -4.383 26 HA ASP 5 HA ASP 5 8.508 -2.785 -4.295 27 HB2 ASP 5 HB2 ASP 5 6.155 -2.608 -6.176 28 HB3 ASP 5 HB3 ASP 5 7.251 -1.258 -5.893 29 HA PRO 6 HA PRO 6 5.502 -1.541 -1.014 30 HB2 PRO 6 HB2 PRO 6 7.408 -1.073 0.861 31 HB3 PRO 6 HB3 PRO 6 6.714 -2.674 0.576 32 HG2 PRO 6 HG2 PRO 6 9.304 -1.531 -0.397 33 HG3 PRO 6 HG3 PRO 6 8.968 -3.146 0.254 34 HD2 PRO 6 HD2 PRO 6 9.192 -2.664 -2.401 35 HD3 PRO 6 HD3 PRO 6 8.113 -3.912 -1.745 36 H TRP 7 H TRP 7 8.027 -0.101 -2.752 37 HA TRP 7 HA TRP 7 7.434 2.545 -1.603 38 HB2 TRP 7 HB2 TRP 7 9.870 1.473 -3.016 39 HB3 TRP 7 HB3 TRP 7 9.590 3.202 -2.832 40 HD1 TRP 7 HD1 TRP 7 11.356 0.499 -1.189 41 HE1 TRP 7 HE1 TRP 7 11.895 1.069 1.263 42 HE3 TRP 7 HE3 TRP 7 8.233 4.501 -0.581 43 HZ2 TRP 7 HZ2 TRP 7 11.101 2.964 3.198 44 HZ3 TRP 7 HZ3 TRP 7 8.182 5.636 1.601 45 HH2 TRP 7 HH2 TRP 7 9.587 4.882 3.450 46 H CYS 8 H CYS 8 6.122 0.825 -3.819 47 HA CYS 8 HA CYS 8 6.479 2.174 -6.270 48 HB2 CYS 8 HB2 CYS 8 4.534 1.008 -7.027 49 HB3 CYS 8 HB3 CYS 8 5.404 -0.083 -5.953 Start of MODEL 9 1 H1 GLY 1 H GLY 1 0.241 0.021 -0.080 2 HA2 GLY 1 HA2 GLY 1 1.834 0.777 -1.724 3 HA3 GLY 1 HA3 GLY 1 3.028 -0.280 -0.986 4 H CYS 2 H CYS 2 3.540 -1.347 -2.885 5 HA CYS 2 HA CYS 2 1.382 -2.971 -4.062 6 HB2 CYS 2 HB2 CYS 2 4.014 -2.311 -5.382 7 HB3 CYS 2 HB3 CYS 2 2.564 -2.970 -6.132 8 HA PRO 3 HA PRO 3 3.344 -6.673 -2.755 9 HB2 PRO 3 HB2 PRO 3 2.755 -8.343 -4.813 10 HB3 PRO 3 HB3 PRO 3 1.548 -7.799 -3.642 11 HG2 PRO 3 HG2 PRO 3 2.104 -6.780 -6.401 12 HG3 PRO 3 HG3 PRO 3 0.545 -7.091 -5.616 13 HD2 PRO 3 HD2 PRO 3 1.596 -4.606 -5.832 14 HD3 PRO 3 HD3 PRO 3 0.588 -5.100 -4.457 15 H DTR 4 H DTR 4 5.601 -6.607 -2.670 16 HA DTR 4 HA DTR 4 6.932 -7.268 -5.193 17 HB2 DTR 4 HB2 DTR 4 7.583 -7.750 -2.302 18 HB3 DTR 4 HB3 DTR 4 8.852 -7.756 -3.511 19 HD1 DTR 4 HD1 DTR 4 5.303 -9.431 -3.504 20 HE1 DTR 4 HE1 DTR 4 5.489 -11.969 -4.201 21 HZ2 DTR 4 HZ2 DTR 4 7.680 -13.665 -4.883 22 HH2 DTR 4 HH2 DTR 4 10.188 -13.651 -5.143 23 HZ3 DTR 4 HZ3 DTR 4 11.443 -11.595 -4.727 24 HE3 DTR 4 HE3 DTR 4 10.359 -9.457 -4.043 25 H ASP 5 H ASP 5 5.894 -4.636 -4.345 26 HA ASP 5 HA ASP 5 8.398 -3.116 -4.071 27 HB2 ASP 5 HB2 ASP 5 6.134 -2.479 -5.975 28 HB3 ASP 5 HB3 ASP 5 7.577 -1.500 -5.730 29 HA PRO 6 HA PRO 6 5.327 -1.723 -0.913 30 HB2 PRO 6 HB2 PRO 6 7.158 -1.474 1.076 31 HB3 PRO 6 HB3 PRO 6 6.351 -3.001 0.699 32 HG2 PRO 6 HG2 PRO 6 9.077 -2.052 -0.095 33 HG3 PRO 6 HG3 PRO 6 8.573 -3.652 0.481 34 HD2 PRO 6 HD2 PRO 6 8.983 -3.110 -2.140 35 HD3 PRO 6 HD3 PRO 6 7.770 -4.282 -1.586 36 H TRP 7 H TRP 7 8.056 -0.449 -2.464 37 HA TRP 7 HA TRP 7 7.619 2.202 -1.257 38 HB2 TRP 7 HB2 TRP 7 9.967 0.933 -1.368 39 HB3 TRP 7 HB3 TRP 7 10.003 1.681 -2.962 40 HD1 TRP 7 HD1 TRP 7 10.598 4.210 -3.085 41 HE1 TRP 7 HE1 TRP 7 11.194 6.003 -1.337 42 HE3 TRP 7 HE3 TRP 7 9.373 1.641 1.162 43 HZ2 TRP 7 HZ2 TRP 7 11.151 6.290 1.471 44 HZ3 TRP 7 HZ3 TRP 7 9.681 2.747 3.339 45 HH2 TRP 7 HH2 TRP 7 10.552 5.023 3.488 46 H CYS 8 H CYS 8 6.298 0.665 -3.599 47 HA CYS 8 HA CYS 8 6.904 2.050 -5.979 48 HB2 CYS 8 HB2 CYS 8 4.910 1.080 -6.878 49 HB3 CYS 8 HB3 CYS 8 5.627 -0.113 -5.801 Start of MODEL 10 1 H1 GLY 1 H GLY 1 1.671 -0.915 0.888 2 HA2 GLY 1 HA2 GLY 1 1.003 0.062 -1.097 3 HA3 GLY 1 HA3 GLY 1 2.726 -0.002 -1.439 4 H CYS 2 H CYS 2 3.527 -1.532 -2.849 5 HA CYS 2 HA CYS 2 1.484 -3.063 -4.319 6 HB2 CYS 2 HB2 CYS 2 4.080 -1.854 -5.287 7 HB3 CYS 2 HB3 CYS 2 3.078 -2.933 -6.252 8 HA PRO 3 HA PRO 3 3.511 -6.833 -3.356 9 HB2 PRO 3 HB2 PRO 3 3.097 -8.262 -5.627 10 HB3 PRO 3 HB3 PRO 3 1.810 -7.900 -4.472 11 HG2 PRO 3 HG2 PRO 3 2.475 -6.540 -7.055 12 HG3 PRO 3 HG3 PRO 3 0.888 -6.991 -6.404 13 HD2 PRO 3 HD2 PRO 3 1.856 -4.466 -6.263 14 HD3 PRO 3 HD3 PRO 3 0.794 -5.153 -5.017 15 H DTR 4 H DTR 4 5.759 -6.654 -3.131 16 HA DTR 4 HA DTR 4 7.250 -7.023 -5.624 17 HB2 DTR 4 HB2 DTR 4 7.897 -7.623 -2.740 18 HB3 DTR 4 HB3 DTR 4 9.103 -7.656 -4.011 19 HD1 DTR 4 HD1 DTR 4 5.906 -8.962 -5.402 20 HE1 DTR 4 HE1 DTR 4 5.835 -11.595 -5.549 21 HZ2 DTR 4 HZ2 DTR 4 7.454 -13.671 -4.447 22 HH2 DTR 4 HH2 DTR 4 9.478 -14.039 -2.988 23 HZ3 DTR 4 HZ3 DTR 4 10.669 -12.120 -2.053 24 HE3 DTR 4 HE3 DTR 4 9.981 -9.760 -2.467 25 H ASP 5 H ASP 5 6.035 -4.526 -4.607 26 HA ASP 5 HA ASP 5 8.464 -2.919 -4.163 27 HB2 ASP 5 HB2 ASP 5 6.110 -1.963 -5.785 28 HB3 ASP 5 HB3 ASP 5 7.728 -1.271 -5.697 29 HA PRO 6 HA PRO 6 5.488 -2.044 -0.754 30 HB2 PRO 6 HB2 PRO 6 7.408 -1.821 1.152 31 HB3 PRO 6 HB3 PRO 6 6.704 -3.371 0.674 32 HG2 PRO 6 HG2 PRO 6 9.294 -2.127 -0.166 33 HG3 PRO 6 HG3 PRO 6 8.954 -3.809 0.280 34 HD2 PRO 6 HD2 PRO 6 9.164 -2.999 -2.295 35 HD3 PRO 6 HD3 PRO 6 8.083 -4.315 -1.793 36 H TRP 7 H TRP 7 7.997 -0.406 -2.327 37 HA TRP 7 HA TRP 7 7.803 2.006 -0.716 38 HB2 TRP 7 HB2 TRP 7 9.659 0.935 -2.675 39 HB3 TRP 7 HB3 TRP 7 9.242 2.609 -3.032 40 HD1 TRP 7 HD1 TRP 7 11.474 0.565 -0.892 41 HE1 TRP 7 HE1 TRP 7 12.681 2.055 0.825 42 HE3 TRP 7 HE3 TRP 7 8.717 4.835 -1.444 43 HZ2 TRP 7 HZ2 TRP 7 12.489 4.692 1.815 44 HZ3 TRP 7 HZ3 TRP 7 9.294 6.796 -0.074 45 HH2 TRP 7 HH2 TRP 7 11.140 6.724 1.522 46 H CYS 8 H CYS 8 5.843 0.649 -2.898 47 HA CYS 8 HA CYS 8 5.298 2.485 -4.879 48 HB2 CYS 8 HB2 CYS 8 4.012 0.217 -3.759 49 HB3 CYS 8 HB3 CYS 8 2.810 1.499 -3.861
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