NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
568077 | 2m6c | 19128 | 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 2HA GLY 1 3.116 -0.165 -1.032 3 HA3 GLY 1 3HA GLY 1 1.710 -0.805 -1.869 4 H CYS 2 H CYS 2 2.120 2.352 -0.313 5 HA CYS 2 HA CYS 2 1.099 3.676 -2.656 6 HB2 CYS 2 2HB CYS 2 0.437 4.540 -0.511 7 HB3 CYS 2 3HB CYS 2 2.115 4.716 -0.007 8 H VAL 3 H VAL 3 2.591 3.392 -4.295 9 HA VAL 3 HA VAL 3 5.337 3.621 -4.182 10 HB VAL 3 HB VAL 3 3.578 4.523 -6.468 11 HG11 VAL 3 1HG1 VAL 3 5.591 5.245 -7.207 12 HG12 VAL 3 2HG1 VAL 3 6.493 4.165 -6.143 13 HG13 VAL 3 3HG1 VAL 3 5.785 3.546 -7.635 14 HG21 VAL 3 3HG2 VAL 3 2.965 2.387 -6.617 15 HG22 VAL 3 1HG2 VAL 3 4.639 2.007 -7.020 16 HG23 VAL 3 2HG2 VAL 3 4.091 1.911 -5.346 17 H DLE 4 H DLE 4 6.368 5.281 -3.060 18 HA DLE 4 HA DLE 4 5.370 7.969 -3.403 19 HB2 DLE 4 2HB DLE 4 7.412 6.981 -5.089 20 HB3 DLE 4 3HB DLE 4 8.193 8.034 -3.927 21 HG DLE 4 HG DLE 4 6.073 9.587 -4.637 22 HD11 DLE 4 1HD1 DLE 4 6.395 9.299 -7.316 23 HD12 DLE 4 2HD1 DLE 4 5.043 8.614 -6.383 24 HD13 DLE 4 3HD1 DLE 4 6.448 7.600 -6.789 25 HD21 DLE 4 3HD2 DLE 4 7.865 10.457 -6.436 26 HD22 DLE 4 1HD2 DLE 4 8.915 9.391 -5.473 27 HD23 DLE 4 2HD2 DLE 4 8.031 10.719 -4.684 28 H TYR 5 H TYR 5 5.730 5.872 -1.360 29 HA TYR 5 HA TYR 5 6.381 7.405 0.832 30 HB2 TYR 5 2HB TYR 5 5.944 4.567 0.305 31 HB3 TYR 5 3HB TYR 5 7.059 4.844 1.638 32 HD1 TYR 5 HD2 TYR 5 4.110 6.872 0.617 33 HD2 TYR 5 HD1 TYR 5 5.813 4.285 3.533 34 HE1 TYR 5 HE2 TYR 5 2.207 7.313 2.111 35 HE2 TYR 5 HE1 TYR 5 3.914 4.717 5.035 36 HH TYR 5 HH TYR 5 1.170 5.673 4.301 37 HA PRO 6 HA PRO 6 7.254 6.564 2.999 38 HB2 PRO 6 2HB PRO 6 8.633 8.290 4.577 39 HB3 PRO 6 3HB PRO 6 9.020 6.569 4.470 40 HG2 PRO 6 2HG PRO 6 10.323 8.891 3.102 41 HG3 PRO 6 3HG PRO 6 11.074 7.483 3.875 42 HD2 PRO 6 2HD PRO 6 10.760 7.678 1.193 43 HD3 PRO 6 3HD PRO 6 10.700 6.124 2.051 44 H TRP 7 H TRP 7 8.383 9.076 0.966 45 HA TRP 7 HA TRP 7 6.446 10.994 2.049 46 HB2 TRP 7 2HB TRP 7 9.032 11.237 0.807 47 HB3 TRP 7 3HB TRP 7 7.840 12.151 -0.113 48 HD1 TRP 7 HD1 TRP 7 8.103 14.594 0.606 49 HE1 TRP 7 HE1 TRP 7 8.252 15.848 2.849 50 HE3 TRP 7 HE3 TRP 7 8.211 10.582 3.773 51 HZ2 TRP 7 HZ2 TRP 7 8.396 15.220 5.597 52 HZ3 TRP 7 HZ3 TRP 7 8.356 10.995 6.195 53 HH2 TRP 7 HH2 TRP 7 8.447 13.266 7.086 54 H CYS 8 H CYS 8 4.538 10.085 1.261 55 HA CYS 8 HA CYS 8 4.246 9.608 -1.584 56 HB2 CYS 8 2HB CYS 8 3.008 8.604 0.707 57 HB3 CYS 8 3HB CYS 8 1.770 9.589 -0.066 Start of MODEL 2 1 H1 GLY 1 H GLY 1 -0.445 -0.101 0.421 2 HA2 GLY 1 2HA GLY 1 2.445 0.163 -0.124 3 HA3 GLY 1 3HA GLY 1 1.372 -0.627 -1.269 4 H CYS 2 H CYS 2 3.076 1.963 -1.157 5 HA CYS 2 HA CYS 2 1.261 3.505 -2.775 6 HB2 CYS 2 2HB CYS 2 0.563 4.349 -0.633 7 HB3 CYS 2 3HB CYS 2 2.233 4.571 -0.120 8 H VAL 3 H VAL 3 2.769 3.265 -4.406 9 HA VAL 3 HA VAL 3 5.507 3.571 -4.278 10 HB VAL 3 HB VAL 3 3.733 4.422 -6.571 11 HG11 VAL 3 1HG1 VAL 3 6.661 3.717 -6.448 12 HG12 VAL 3 2HG1 VAL 3 5.741 3.895 -7.944 13 HG13 VAL 3 3HG1 VAL 3 5.955 5.277 -6.869 14 HG21 VAL 3 3HG2 VAL 3 3.217 2.159 -6.008 15 HG22 VAL 3 1HG2 VAL 3 4.249 2.131 -7.438 16 HG23 VAL 3 2HG2 VAL 3 4.925 1.748 -5.854 17 H DLE 4 H DLE 4 6.484 5.257 -3.147 18 HA DLE 4 HA DLE 4 5.414 7.917 -3.494 19 HB2 DLE 4 2HB DLE 4 7.249 7.123 -5.328 20 HB3 DLE 4 3HB DLE 4 8.304 7.758 -4.081 21 HG DLE 4 HG DLE 4 6.668 9.834 -4.182 22 HD11 DLE 4 1HD1 DLE 4 5.125 9.806 -5.771 23 HD12 DLE 4 2HD1 DLE 4 5.693 8.214 -6.329 24 HD13 DLE 4 3HD1 DLE 4 6.406 9.699 -7.003 25 HD21 DLE 4 3HD2 DLE 4 9.190 9.471 -4.876 26 HD22 DLE 4 1HD2 DLE 4 8.307 10.952 -5.319 27 HD23 DLE 4 2HD2 DLE 4 8.525 9.654 -6.517 28 H TYR 5 H TYR 5 5.820 5.828 -1.451 29 HA TYR 5 HA TYR 5 6.416 7.376 0.747 30 HB2 TYR 5 2HB TYR 5 6.060 4.528 0.214 31 HB3 TYR 5 3HB TYR 5 7.160 4.834 1.554 32 HD1 TYR 5 HD2 TYR 5 4.163 6.783 0.519 33 HD2 TYR 5 HD1 TYR 5 5.918 4.236 3.440 34 HE1 TYR 5 HE2 TYR 5 2.240 7.170 2.003 35 HE2 TYR 5 HE1 TYR 5 3.999 4.614 4.932 36 HH TYR 5 HH TYR 5 1.826 5.378 4.978 37 HA PRO 6 HA PRO 6 7.300 6.558 2.918 38 HB2 PRO 6 2HB PRO 6 8.621 8.320 4.505 39 HB3 PRO 6 3HB PRO 6 9.056 6.610 4.399 40 HG2 PRO 6 2HG PRO 6 10.302 8.969 3.041 41 HG3 PRO 6 3HG PRO 6 11.087 7.581 3.817 42 HD2 PRO 6 2HD PRO 6 10.784 7.770 1.133 43 HD3 PRO 6 3HD PRO 6 10.762 6.215 1.989 44 H TRP 7 H TRP 7 8.370 9.103 0.894 45 HA TRP 7 HA TRP 7 6.375 10.965 1.967 46 HB2 TRP 7 2HB TRP 7 8.961 11.281 0.741 47 HB3 TRP 7 3HB TRP 7 7.749 12.162 -0.186 48 HD1 TRP 7 HD1 TRP 7 7.939 14.611 0.537 49 HE1 TRP 7 HE1 TRP 7 8.040 15.866 2.782 50 HE3 TRP 7 HE3 TRP 7 8.140 10.600 3.701 51 HZ2 TRP 7 HZ2 TRP 7 8.186 15.239 5.530 52 HZ3 TRP 7 HZ3 TRP 7 8.259 11.014 6.124 53 HH2 TRP 7 HH2 TRP 7 8.282 13.286 7.017 54 H CYS 8 H CYS 8 4.497 10.004 1.167 55 HA CYS 8 HA CYS 8 4.236 9.523 -1.680 56 HB2 CYS 8 2HB CYS 8 3.012 8.482 0.602 57 HB3 CYS 8 3HB CYS 8 1.752 9.432 -0.178 Start of MODEL 3 1 H1 GLY 1 H GLY 1 0.167 -0.826 -2.032 2 HA2 GLY 1 2HA GLY 1 1.828 0.158 -0.028 3 HA3 GLY 1 3HA GLY 1 2.878 -0.465 -1.292 4 H CYS 2 H CYS 2 2.254 2.308 -0.268 5 HA CYS 2 HA CYS 2 1.068 3.581 -2.598 6 HB2 CYS 2 2HB CYS 2 0.427 4.490 -0.465 7 HB3 CYS 2 3HB CYS 2 2.110 4.679 0.018 8 H VAL 3 H VAL 3 2.544 3.263 -4.245 9 HA VAL 3 HA VAL 3 5.291 3.497 -4.165 10 HB VAL 3 HB VAL 3 3.499 4.339 -6.449 11 HG11 VAL 3 1HG1 VAL 3 5.608 3.493 -7.728 12 HG12 VAL 3 2HG1 VAL 3 5.578 5.128 -7.065 13 HG13 VAL 3 3HG1 VAL 3 6.435 3.844 -6.211 14 HG21 VAL 3 3HG2 VAL 3 3.962 1.780 -5.263 15 HG22 VAL 3 1HG2 VAL 3 2.949 2.197 -6.645 16 HG23 VAL 3 2HG2 VAL 3 4.650 1.800 -6.886 17 H DLE 4 H DLE 4 6.331 5.181 -3.089 18 HA DLE 4 HA DLE 4 5.327 7.861 -3.480 19 HB2 DLE 4 2HB DLE 4 7.254 6.883 -5.233 20 HB3 DLE 4 3HB DLE 4 8.176 7.795 -4.055 21 HG DLE 4 HG DLE 4 5.785 8.919 -5.535 22 HD11 DLE 4 1HD1 DLE 4 7.610 8.248 -7.088 23 HD12 DLE 4 2HD1 DLE 4 8.710 9.333 -6.204 24 HD13 DLE 4 3HD1 DLE 4 7.297 10.000 -7.058 25 HD21 DLE 4 3HD2 DLE 4 5.976 10.386 -3.827 26 HD22 DLE 4 1HD2 DLE 4 7.272 11.055 -4.848 27 HD23 DLE 4 2HD2 DLE 4 7.674 9.964 -3.501 28 H TYR 5 H TYR 5 5.710 5.808 -1.396 29 HA TYR 5 HA TYR 5 6.382 7.388 0.756 30 HB2 TYR 5 2HB TYR 5 5.941 4.540 0.294 31 HB3 TYR 5 3HB TYR 5 7.070 4.845 1.609 32 HD1 TYR 5 HD2 TYR 5 4.111 6.852 0.578 33 HD2 TYR 5 HD1 TYR 5 5.844 4.324 3.528 34 HE1 TYR 5 HE2 TYR 5 2.224 7.324 2.082 35 HE2 TYR 5 HE1 TYR 5 3.961 4.788 5.041 36 HH TYR 5 HH TYR 5 2.159 6.093 5.392 37 HA PRO 6 HA PRO 6 7.278 6.595 2.932 38 HB2 PRO 6 2HB PRO 6 8.672 8.356 4.458 39 HB3 PRO 6 3HB PRO 6 9.058 6.633 4.384 40 HG2 PRO 6 2HG PRO 6 10.346 8.925 2.953 41 HG3 PRO 6 3HG PRO 6 11.105 7.534 3.748 42 HD2 PRO 6 2HD PRO 6 10.765 7.671 1.066 43 HD3 PRO 6 3HD PRO 6 10.715 6.137 1.958 44 H TRP 7 H TRP 7 8.384 9.063 0.833 45 HA TRP 7 HA TRP 7 6.456 11.003 1.894 46 HB2 TRP 7 2HB TRP 7 9.030 11.221 0.622 47 HB3 TRP 7 3HB TRP 7 7.829 12.113 -0.307 48 HD1 TRP 7 HD1 TRP 7 8.095 14.571 0.356 49 HE1 TRP 7 HE1 TRP 7 8.263 15.875 2.569 50 HE3 TRP 7 HE3 TRP 7 8.238 10.630 3.609 51 HZ2 TRP 7 HZ2 TRP 7 8.435 15.307 5.329 52 HZ3 TRP 7 HZ3 TRP 7 8.405 11.096 6.020 53 HH2 TRP 7 HH2 TRP 7 8.502 13.387 6.859 54 H CYS 8 H CYS 8 4.541 10.076 1.144 55 HA CYS 8 HA CYS 8 4.222 9.540 -1.687 56 HB2 CYS 8 2HB CYS 8 3.008 8.582 0.637 57 HB3 CYS 8 3HB CYS 8 1.761 9.547 -0.147 Start of MODEL 4 1 H1 GLY 1 H GLY 1 1.159 0.241 0.484 2 HA2 GLY 1 2HA GLY 1 3.540 0.675 0.723 3 HA3 GLY 1 3HA GLY 1 3.736 0.186 -0.954 4 H CYS 2 H CYS 2 1.357 1.680 -1.821 5 HA CYS 2 HA CYS 2 0.889 3.709 -2.735 6 HB2 CYS 2 2HB CYS 2 0.349 4.375 -0.488 7 HB3 CYS 2 3HB CYS 2 2.049 4.610 -0.095 8 H VAL 3 H VAL 3 2.263 3.634 -4.496 9 HA VAL 3 HA VAL 3 4.993 4.015 -4.566 10 HB VAL 3 HB VAL 3 3.035 4.997 -6.647 11 HG11 VAL 3 1HG1 VAL 3 5.982 4.428 -6.690 12 HG12 VAL 3 2HG1 VAL 3 5.010 4.414 -8.163 13 HG13 VAL 3 3HG1 VAL 3 5.131 5.886 -7.198 14 HG21 VAL 3 3HG2 VAL 3 4.064 2.283 -5.968 15 HG22 VAL 3 1HG2 VAL 3 2.455 2.782 -6.492 16 HG23 VAL 3 2HG2 VAL 3 3.773 2.688 -7.660 17 H DLE 4 H DLE 4 6.018 5.645 -3.396 18 HA DLE 4 HA DLE 4 4.856 8.288 -3.458 19 HB2 DLE 4 2HB DLE 4 6.888 9.340 -4.330 20 HB3 DLE 4 3HB DLE 4 6.057 8.351 -5.514 21 HG DLE 4 HG DLE 4 7.857 6.547 -4.551 22 HD11 DLE 4 1HD1 DLE 4 8.758 9.018 -3.517 23 HD12 DLE 4 2HD1 DLE 4 9.857 8.586 -4.849 24 HD13 DLE 4 3HD1 DLE 4 9.593 7.446 -3.507 25 HD21 DLE 4 3HD2 DLE 4 8.050 6.502 -6.766 26 HD22 DLE 4 1HD2 DLE 4 9.249 7.808 -6.607 27 HD23 DLE 4 2HD2 DLE 4 7.541 8.201 -6.920 28 H TYR 5 H TYR 5 5.483 6.072 -1.614 29 HA TYR 5 HA TYR 5 6.218 7.476 0.637 30 HB2 TYR 5 2HB TYR 5 5.892 4.663 -0.075 31 HB3 TYR 5 3HB TYR 5 7.090 4.907 1.191 32 HD1 TYR 5 HD1 TYR 5 3.968 6.827 0.546 33 HD2 TYR 5 HD2 TYR 5 6.027 4.142 3.125 34 HE1 TYR 5 HE1 TYR 5 2.164 7.046 2.203 35 HE2 TYR 5 HE2 TYR 5 4.229 4.352 4.789 36 HH TYR 5 HH TYR 5 2.438 5.689 5.406 37 HA PRO 6 HA PRO 6 7.299 6.531 2.664 38 HB2 PRO 6 2HB PRO 6 8.702 8.215 4.265 39 HB3 PRO 6 3HB PRO 6 9.169 6.532 3.998 40 HG2 PRO 6 2HG PRO 6 10.239 9.020 2.723 41 HG3 PRO 6 3HG PRO 6 11.120 7.605 3.328 42 HD2 PRO 6 2HD PRO 6 10.592 7.977 0.698 43 HD3 PRO 6 3HD PRO 6 10.680 6.364 1.436 44 H TRP 7 H TRP 7 8.134 9.247 0.754 45 HA TRP 7 HA TRP 7 6.187 10.964 2.120 46 HB2 TRP 7 2HB TRP 7 8.654 11.448 0.715 47 HB3 TRP 7 3HB TRP 7 7.348 12.355 -0.043 48 HD1 TRP 7 HD1 TRP 7 7.535 14.750 0.842 49 HE1 TRP 7 HE1 TRP 7 7.790 15.844 3.158 50 HE3 TRP 7 HE3 TRP 7 8.098 10.531 3.674 51 HZ2 TRP 7 HZ2 TRP 7 8.178 15.026 5.832 52 HZ3 TRP 7 HZ3 TRP 7 8.407 10.774 6.103 53 HH2 TRP 7 HH2 TRP 7 8.446 12.975 7.158 54 H CYS 8 H CYS 8 4.275 10.004 1.405 55 HA CYS 8 HA CYS 8 3.791 9.721 -1.440 56 HB2 CYS 8 2HB CYS 8 2.787 8.481 0.850 57 HB3 CYS 8 3HB CYS 8 1.443 9.447 0.249 Start of MODEL 5 1 H1 GLY 1 H GLY 1 0.809 0.032 0.972 2 HA2 GLY 1 2HA GLY 1 2.578 -0.430 -1.298 3 HA3 GLY 1 3HA GLY 1 0.848 -0.734 -1.246 4 H CYS 2 H CYS 2 2.750 2.201 -0.591 5 HA CYS 2 HA CYS 2 1.185 3.552 -2.693 6 HB2 CYS 2 2HB CYS 2 0.510 4.414 -0.552 7 HB3 CYS 2 3HB CYS 2 2.185 4.621 -0.050 8 H VAL 3 H VAL 3 2.680 3.288 -4.332 9 HA VAL 3 HA VAL 3 5.422 3.565 -4.224 10 HB VAL 3 HB VAL 3 3.619 4.396 -6.503 11 HG11 VAL 3 1HG1 VAL 3 5.833 3.581 -7.725 12 HG12 VAL 3 2HG1 VAL 3 5.608 5.252 -7.206 13 HG13 VAL 3 3HG1 VAL 3 6.561 4.142 -6.221 14 HG21 VAL 3 3HG2 VAL 3 4.966 1.756 -5.936 15 HG22 VAL 3 1HG2 VAL 3 3.241 2.089 -5.790 16 HG23 VAL 3 2HG2 VAL 3 4.019 2.147 -7.371 17 H DLE 4 H DLE 4 6.424 5.247 -3.109 18 HA DLE 4 HA DLE 4 5.379 7.916 -3.463 19 HB2 DLE 4 2HB DLE 4 7.202 7.087 -5.300 20 HB3 DLE 4 3HB DLE 4 8.262 7.734 -4.064 21 HG DLE 4 HG DLE 4 6.517 9.780 -4.224 22 HD11 DLE 4 1HD1 DLE 4 5.988 10.182 -6.619 23 HD12 DLE 4 2HD1 DLE 4 5.098 8.814 -5.909 24 HD13 DLE 4 3HD1 DLE 4 6.491 8.512 -6.975 25 HD21 DLE 4 3HD2 DLE 4 9.132 9.152 -5.387 26 HD22 DLE 4 1HD2 DLE 4 8.576 10.597 -4.510 27 HD23 DLE 4 2HD2 DLE 4 8.254 10.436 -6.253 28 H TYR 5 H TYR 5 5.778 5.834 -1.411 29 HA TYR 5 HA TYR 5 6.403 7.388 0.774 30 HB2 TYR 5 2HB TYR 5 6.015 4.541 0.259 31 HB3 TYR 5 3HB TYR 5 7.126 4.843 1.590 32 HD1 TYR 5 HD1 TYR 5 4.140 6.812 0.561 33 HD2 TYR 5 HD2 TYR 5 5.895 4.275 3.491 34 HE1 TYR 5 HE1 TYR 5 2.231 7.226 2.055 35 HE2 TYR 5 HE2 TYR 5 3.990 4.681 4.992 36 HH TYR 5 HH TYR 5 1.255 5.540 4.303 37 HA PRO 6 HA PRO 6 7.293 6.572 2.944 38 HB2 PRO 6 2HB PRO 6 8.643 8.328 4.513 39 HB3 PRO 6 3HB PRO 6 9.059 6.613 4.413 40 HG2 PRO 6 2HG PRO 6 10.320 8.952 3.034 41 HG3 PRO 6 3HG PRO 6 11.096 7.561 3.813 42 HD2 PRO 6 2HD PRO 6 10.777 7.739 1.130 43 HD3 PRO 6 3HD PRO 6 10.745 6.188 1.994 44 H TRP 7 H TRP 7 8.376 9.095 0.899 45 HA TRP 7 HA TRP 7 6.407 10.983 1.975 46 HB2 TRP 7 2HB TRP 7 8.987 11.266 0.730 47 HB3 TRP 7 3HB TRP 7 7.779 12.155 -0.193 48 HD1 TRP 7 HD1 TRP 7 7.999 14.605 0.516 49 HE1 TRP 7 HE1 TRP 7 8.128 15.871 2.754 50 HE3 TRP 7 HE3 TRP 7 8.180 10.609 3.700 51 HZ2 TRP 7 HZ2 TRP 7 8.286 15.256 5.504 52 HZ3 TRP 7 HZ3 TRP 7 8.320 11.034 6.119 53 HH2 TRP 7 HH2 TRP 7 8.372 13.310 7.001 54 H CYS 8 H CYS 8 4.514 10.036 1.193 55 HA CYS 8 HA CYS 8 4.229 9.542 -1.649 56 HB2 CYS 8 2HB CYS 8 3.010 8.527 0.646 57 HB3 CYS 8 3HB CYS 8 1.755 9.488 -0.129 Start of MODEL 6 1 H1 GLY 1 H GLY 1 3.594 -1.309 -1.578 2 HA2 GLY 1 2HA GLY 1 1.350 -0.793 -1.592 3 HA3 GLY 1 3HA GLY 1 1.613 0.133 -0.121 4 H CYS 2 H CYS 2 2.049 2.336 -0.248 5 HA CYS 2 HA CYS 2 1.020 3.618 -2.612 6 HB2 CYS 2 2HB CYS 2 0.378 4.533 -0.482 7 HB3 CYS 2 3HB CYS 2 2.061 4.705 0.008 8 H VAL 3 H VAL 3 2.500 3.286 -4.253 9 HA VAL 3 HA VAL 3 5.249 3.495 -4.160 10 HB VAL 3 HB VAL 3 3.495 4.373 -6.459 11 HG11 VAL 3 1HG1 VAL 3 5.403 3.871 -7.862 12 HG12 VAL 3 2HG1 VAL 3 5.857 5.059 -6.639 13 HG13 VAL 3 3HG1 VAL 3 6.341 3.373 -6.455 14 HG21 VAL 3 3HG2 VAL 3 3.835 1.808 -5.259 15 HG22 VAL 3 1HG2 VAL 3 2.875 2.252 -6.670 16 HG23 VAL 3 2HG2 VAL 3 4.566 1.789 -6.864 17 H DLE 4 H DLE 4 6.299 5.169 -3.079 18 HA DLE 4 HA DLE 4 5.323 7.858 -3.474 19 HB2 DLE 4 2HB DLE 4 7.298 6.837 -5.184 20 HB3 DLE 4 3HB DLE 4 8.159 7.828 -4.023 21 HG DLE 4 HG DLE 4 5.849 8.726 -5.767 22 HD11 DLE 4 1HD1 DLE 4 7.461 8.867 -7.314 23 HD12 DLE 4 2HD1 DLE 4 8.768 8.720 -6.114 24 HD13 DLE 4 3HD1 DLE 4 7.997 10.299 -6.401 25 HD21 DLE 4 3HD2 DLE 4 5.583 10.050 -3.894 26 HD22 DLE 4 1HD2 DLE 4 6.685 11.034 -4.888 27 HD23 DLE 4 2HD2 DLE 4 7.326 10.078 -3.530 28 H TYR 5 H TYR 5 5.676 5.802 -1.388 29 HA TYR 5 HA TYR 5 6.352 7.376 0.767 30 HB2 TYR 5 2HB TYR 5 5.887 4.531 0.303 31 HB3 TYR 5 3HB TYR 5 7.013 4.827 1.623 32 HD1 TYR 5 HD1 TYR 5 4.076 6.860 0.575 33 HD2 TYR 5 HD2 TYR 5 5.773 4.320 3.538 34 HE1 TYR 5 HE1 TYR 5 2.185 7.349 2.070 35 HE2 TYR 5 HE2 TYR 5 3.886 4.802 5.040 36 HH TYR 5 HH TYR 5 1.586 7.287 4.362 37 HA PRO 6 HA PRO 6 7.230 6.574 2.947 38 HB2 PRO 6 2HB PRO 6 8.633 8.321 4.480 39 HB3 PRO 6 3HB PRO 6 9.004 6.594 4.407 40 HG2 PRO 6 2HG PRO 6 10.319 8.875 2.983 41 HG3 PRO 6 3HG PRO 6 11.062 7.477 3.782 42 HD2 PRO 6 2HD PRO 6 10.736 7.617 1.098 43 HD3 PRO 6 3HD PRO 6 10.667 6.084 1.989 44 H TRP 7 H TRP 7 8.370 9.032 0.854 45 HA TRP 7 HA TRP 7 6.455 10.989 1.906 46 HB2 TRP 7 2HB TRP 7 9.037 11.184 0.647 47 HB3 TRP 7 3HB TRP 7 7.848 12.088 -0.287 48 HD1 TRP 7 HD1 TRP 7 8.134 14.543 0.379 49 HE1 TRP 7 HE1 TRP 7 8.305 15.843 2.594 50 HE3 TRP 7 HE3 TRP 7 8.225 10.599 3.630 51 HZ2 TRP 7 HZ2 TRP 7 8.458 15.272 5.354 52 HZ3 TRP 7 HZ3 TRP 7 8.386 11.062 6.041 53 HH2 TRP 7 HH2 TRP 7 8.500 13.351 6.883 54 H CYS 8 H CYS 8 4.536 10.076 1.147 55 HA CYS 8 HA CYS 8 4.226 9.542 -1.685 56 HB2 CYS 8 2HB CYS 8 2.989 8.601 0.632 57 HB3 CYS 8 3HB CYS 8 1.757 9.580 -0.156 Start of MODEL 7 1 H1 GLY 1 H GLY 1 3.733 -1.071 -1.751 2 HA2 GLY 1 2HA GLY 1 1.028 -0.630 -1.081 3 HA3 GLY 1 3HA GLY 1 2.412 0.125 -0.304 4 H CYS 2 H CYS 2 2.635 2.252 -0.528 5 HA CYS 2 HA CYS 2 0.983 3.598 -2.551 6 HB2 CYS 2 2HB CYS 2 0.448 4.304 -0.315 7 HB3 CYS 2 3HB CYS 2 2.147 4.580 0.059 8 H VAL 3 H VAL 3 2.346 3.507 -4.319 9 HA VAL 3 HA VAL 3 5.068 3.936 -4.420 10 HB VAL 3 HB VAL 3 3.094 4.855 -6.514 11 HG11 VAL 3 1HG1 VAL 3 5.126 5.700 -7.204 12 HG12 VAL 3 2HG1 VAL 3 6.042 4.370 -6.491 13 HG13 VAL 3 3HG1 VAL 3 5.122 4.114 -7.974 14 HG21 VAL 3 3HG2 VAL 3 4.080 2.155 -5.744 15 HG22 VAL 3 1HG2 VAL 3 2.492 2.656 -6.325 16 HG23 VAL 3 2HG2 VAL 3 3.837 2.504 -7.455 17 H DLE 4 H DLE 4 6.071 5.612 -3.296 18 HA DLE 4 HA DLE 4 4.859 8.231 -3.408 19 HB2 DLE 4 2HB DLE 4 6.771 9.328 -4.377 20 HB3 DLE 4 3HB DLE 4 6.084 8.168 -5.497 21 HG DLE 4 HG DLE 4 8.013 6.638 -4.325 22 HD11 DLE 4 1HD1 DLE 4 9.515 7.839 -3.223 23 HD12 DLE 4 2HD1 DLE 4 8.658 9.348 -3.621 24 HD13 DLE 4 3HD1 DLE 4 9.893 8.706 -4.731 25 HD21 DLE 4 3HD2 DLE 4 7.424 7.258 -6.798 26 HD22 DLE 4 1HD2 DLE 4 9.044 6.649 -6.384 27 HD23 DLE 4 2HD2 DLE 4 8.785 8.392 -6.631 28 H TYR 5 H TYR 5 5.542 6.070 -1.520 29 HA TYR 5 HA TYR 5 6.268 7.539 0.692 30 HB2 TYR 5 2HB TYR 5 5.989 4.705 0.048 31 HB3 TYR 5 3HB TYR 5 7.193 5.000 1.298 32 HD1 TYR 5 HD1 TYR 5 4.031 6.849 0.635 33 HD2 TYR 5 HD2 TYR 5 6.158 4.259 3.256 34 HE1 TYR 5 HE1 TYR 5 2.236 7.072 2.302 35 HE2 TYR 5 HE2 TYR 5 4.369 4.473 4.930 36 HH TYR 5 HH TYR 5 2.304 6.732 5.134 37 HA PRO 6 HA PRO 6 7.382 6.662 2.731 38 HB2 PRO 6 2HB PRO 6 8.766 8.408 4.282 39 HB3 PRO 6 3HB PRO 6 9.262 6.728 4.050 40 HG2 PRO 6 2HG PRO 6 10.275 9.205 2.709 41 HG3 PRO 6 3HG PRO 6 11.187 7.822 3.339 42 HD2 PRO 6 2HD PRO 6 10.632 8.123 0.706 43 HD3 PRO 6 3HD PRO 6 10.756 6.530 1.480 44 H TRP 7 H TRP 7 8.151 9.348 0.753 45 HA TRP 7 HA TRP 7 6.183 11.059 2.095 46 HB2 TRP 7 2HB TRP 7 8.629 11.557 0.661 47 HB3 TRP 7 3HB TRP 7 7.301 12.422 -0.108 48 HD1 TRP 7 HD1 TRP 7 7.449 14.840 0.721 49 HE1 TRP 7 HE1 TRP 7 7.699 15.991 3.009 50 HE3 TRP 7 HE3 TRP 7 8.113 10.698 3.644 51 HZ2 TRP 7 HZ2 TRP 7 8.123 15.242 5.698 52 HZ3 TRP 7 HZ3 TRP 7 8.434 11.003 6.064 53 HH2 TRP 7 HH2 TRP 7 8.439 13.228 7.068 54 H CYS 8 H CYS 8 4.283 10.049 1.417 55 HA CYS 8 HA CYS 8 3.783 9.692 -1.417 56 HB2 CYS 8 2HB CYS 8 2.821 8.485 0.908 57 HB3 CYS 8 3HB CYS 8 1.454 9.410 0.295 Start of MODEL 8 1 H1 GLY 1 H GLY 1 0.420 -1.191 -1.123 2 HA2 GLY 1 2HA GLY 1 3.089 -0.013 -0.863 3 HA3 GLY 1 3HA GLY 1 2.455 -0.836 -2.280 4 H CYS 2 H CYS 2 2.751 2.172 -0.602 5 HA CYS 2 HA CYS 2 1.190 3.554 -2.667 6 HB2 CYS 2 2HB CYS 2 0.556 4.170 -0.430 7 HB3 CYS 2 3HB CYS 2 2.233 4.468 0.018 8 H VAL 3 H VAL 3 2.647 3.508 -4.375 9 HA VAL 3 HA VAL 3 5.355 4.027 -4.338 10 HB VAL 3 HB VAL 3 5.009 4.930 -6.697 11 HG11 VAL 3 1HG1 VAL 3 4.519 2.737 -7.596 12 HG12 VAL 3 2HG1 VAL 3 5.539 2.579 -6.164 13 HG13 VAL 3 3HG1 VAL 3 3.812 2.235 -6.060 14 HG21 VAL 3 3HG2 VAL 3 2.967 5.355 -7.494 15 HG22 VAL 3 1HG2 VAL 3 2.315 3.850 -6.846 16 HG23 VAL 3 2HG2 VAL 3 2.414 5.283 -5.821 17 H DLE 4 H DLE 4 6.359 5.730 -3.298 18 HA DLE 4 HA DLE 4 5.026 8.302 -3.344 19 HB2 DLE 4 2HB DLE 4 7.142 9.399 -4.145 20 HB3 DLE 4 3HB DLE 4 6.176 8.569 -5.348 21 HG DLE 4 HG DLE 4 8.354 6.973 -4.109 22 HD11 DLE 4 1HD1 DLE 4 10.163 8.034 -5.045 23 HD12 DLE 4 2HD1 DLE 4 9.171 9.429 -4.556 24 HD13 DLE 4 3HD1 DLE 4 9.179 8.894 -6.254 25 HD21 DLE 4 3HD2 DLE 4 7.605 5.701 -5.784 26 HD22 DLE 4 1HD2 DLE 4 8.538 6.781 -6.848 27 HD23 DLE 4 2HD2 DLE 4 6.801 7.069 -6.591 28 H TYR 5 H TYR 5 5.781 6.129 -1.487 29 HA TYR 5 HA TYR 5 6.420 7.586 0.760 30 HB2 TYR 5 2HB TYR 5 6.276 4.755 0.059 31 HB3 TYR 5 3HB TYR 5 7.452 5.080 1.327 32 HD1 TYR 5 HD1 TYR 5 4.214 6.791 0.663 33 HD2 TYR 5 HD2 TYR 5 6.436 4.260 3.263 34 HE1 TYR 5 HE1 TYR 5 2.395 6.901 2.314 35 HE2 TYR 5 HE2 TYR 5 4.622 4.362 4.921 36 HH TYR 5 HH TYR 5 1.774 6.401 4.406 37 HA PRO 6 HA PRO 6 7.552 6.720 2.793 38 HB2 PRO 6 2HB PRO 6 8.841 8.495 4.392 39 HB3 PRO 6 3HB PRO 6 9.415 6.844 4.132 40 HG2 PRO 6 2HG PRO 6 10.328 9.390 2.850 41 HG3 PRO 6 3HG PRO 6 11.296 8.037 3.463 42 HD2 PRO 6 2HD PRO 6 10.753 8.364 0.831 43 HD3 PRO 6 3HD PRO 6 10.941 6.763 1.575 44 H TRP 7 H TRP 7 8.219 9.476 0.875 45 HA TRP 7 HA TRP 7 6.161 11.069 2.228 46 HB2 TRP 7 2HB TRP 7 8.599 11.707 0.837 47 HB3 TRP 7 3HB TRP 7 7.243 12.526 0.067 48 HD1 TRP 7 HD1 TRP 7 7.268 14.931 0.945 49 HE1 TRP 7 HE1 TRP 7 7.436 16.045 3.259 50 HE3 TRP 7 HE3 TRP 7 8.086 10.766 3.795 51 HZ2 TRP 7 HZ2 TRP 7 7.860 15.263 5.937 52 HZ3 TRP 7 HZ3 TRP 7 8.363 11.036 6.225 53 HH2 TRP 7 HH2 TRP 7 8.253 13.238 7.272 54 H CYS 8 H CYS 8 4.317 9.988 1.505 55 HA CYS 8 HA CYS 8 3.868 9.670 -1.342 56 HB2 CYS 8 2HB CYS 8 2.935 8.369 0.944 57 HB3 CYS 8 3HB CYS 8 1.534 9.242 0.332 Start of MODEL 9 1 H1 GLY 1 H GLY 1 1.485 0.874 1.326 2 HA2 GLY 1 2HA GLY 1 2.263 -0.279 -1.261 3 HA3 GLY 1 3HA GLY 1 0.589 -0.417 -0.746 4 H CYS 2 H CYS 2 3.147 1.909 -1.489 5 HA CYS 2 HA CYS 2 1.383 3.571 -2.964 6 HB2 CYS 2 2HB CYS 2 0.581 4.311 -0.821 7 HB3 CYS 2 3HB CYS 2 2.223 4.524 -0.222 8 H VAL 3 H VAL 3 2.991 3.368 -4.520 9 HA VAL 3 HA VAL 3 5.710 3.724 -4.236 10 HB VAL 3 HB VAL 3 5.648 4.553 -6.647 11 HG11 VAL 3 1HG1 VAL 3 4.893 2.327 -7.499 12 HG12 VAL 3 2HG1 VAL 3 6.062 2.246 -6.179 13 HG13 VAL 3 3HG1 VAL 3 4.352 1.948 -5.864 14 HG21 VAL 3 3HG2 VAL 3 2.922 3.634 -7.034 15 HG22 VAL 3 1HG2 VAL 3 3.005 5.086 -6.036 16 HG23 VAL 3 2HG2 VAL 3 3.724 5.080 -7.647 17 H DLE 4 H DLE 4 6.717 5.404 -3.162 18 HA DLE 4 HA DLE 4 5.561 8.048 -3.424 19 HB2 DLE 4 2HB DLE 4 8.033 7.171 -4.780 20 HB3 DLE 4 3HB DLE 4 8.161 8.671 -3.883 21 HG DLE 4 HG DLE 4 5.790 8.968 -5.316 22 HD11 DLE 4 1HD1 DLE 4 6.064 8.257 -7.506 23 HD12 DLE 4 2HD1 DLE 4 6.653 6.866 -6.565 24 HD13 DLE 4 3HD1 DLE 4 7.813 7.989 -7.314 25 HD21 DLE 4 3HD2 DLE 4 6.881 10.756 -6.373 26 HD22 DLE 4 1HD2 DLE 4 8.470 9.957 -6.288 27 HD23 DLE 4 2HD2 DLE 4 7.707 10.581 -4.806 28 H TYR 5 H TYR 5 5.997 5.908 -1.430 29 HA TYR 5 HA TYR 5 6.510 7.411 0.819 30 HB2 TYR 5 2HB TYR 5 6.254 4.569 0.201 31 HB3 TYR 5 3HB TYR 5 7.322 4.872 1.567 32 HD1 TYR 5 HD1 TYR 5 4.277 6.747 0.534 33 HD2 TYR 5 HD2 TYR 5 6.077 4.192 3.421 34 HE1 TYR 5 HE1 TYR 5 2.320 7.030 1.996 35 HE2 TYR 5 HE2 TYR 5 4.124 4.467 4.890 36 HH TYR 5 HH TYR 5 1.800 5.083 4.769 37 HA PRO 6 HA PRO 6 7.387 6.559 2.980 38 HB2 PRO 6 2HB PRO 6 8.628 8.316 4.637 39 HB3 PRO 6 3HB PRO 6 9.118 6.624 4.490 40 HG2 PRO 6 2HG PRO 6 10.309 9.058 3.218 41 HG3 PRO 6 3HG PRO 6 11.126 7.674 3.967 42 HD2 PRO 6 2HD PRO 6 10.857 7.930 1.285 43 HD3 PRO 6 3HD PRO 6 10.872 6.351 2.097 44 H TRP 7 H TRP 7 8.406 9.193 1.045 45 HA TRP 7 HA TRP 7 6.335 10.959 2.138 46 HB2 TRP 7 2HB TRP 7 8.929 11.393 0.968 47 HB3 TRP 7 3HB TRP 7 7.707 12.261 0.044 48 HD1 TRP 7 HD1 TRP 7 7.803 14.693 0.839 49 HE1 TRP 7 HE1 TRP 7 7.823 15.886 3.120 50 HE3 TRP 7 HE3 TRP 7 8.081 10.602 3.893 51 HZ2 TRP 7 HZ2 TRP 7 7.942 15.185 5.852 52 HZ3 TRP 7 HZ3 TRP 7 8.144 10.950 6.328 53 HH2 TRP 7 HH2 TRP 7 8.076 13.195 7.285 54 H CYS 8 H CYS 8 4.502 9.965 1.277 55 HA CYS 8 HA CYS 8 4.305 9.562 -1.588 56 HB2 CYS 8 2HB CYS 8 3.081 8.409 0.639 57 HB3 CYS 8 3HB CYS 8 1.802 9.340 -0.133 Start of MODEL 10 1 H1 GLY 1 H GLY 1 3.423 -1.422 -1.406 2 HA2 GLY 1 2HA GLY 1 1.080 -0.837 -1.536 3 HA3 GLY 1 3HA GLY 1 1.745 -0.021 -0.128 4 H CYS 2 H CYS 2 2.958 2.132 -0.904 5 HA CYS 2 HA CYS 2 1.133 3.547 -2.731 6 HB2 CYS 2 2HB CYS 2 0.493 4.194 -0.504 7 HB3 CYS 2 3HB CYS 2 2.170 4.481 -0.050 8 H VAL 3 H VAL 3 2.600 3.468 -4.430 9 HA VAL 3 HA VAL 3 5.312 3.962 -4.383 10 HB VAL 3 HB VAL 3 4.988 4.843 -6.754 11 HG11 VAL 3 1HG1 VAL 3 5.581 2.610 -6.630 12 HG12 VAL 3 2HG1 VAL 3 4.099 2.156 -5.785 13 HG13 VAL 3 3HG1 VAL 3 4.052 2.541 -7.506 14 HG21 VAL 3 3HG2 VAL 3 2.955 5.287 -7.563 15 HG22 VAL 3 1HG2 VAL 3 2.286 3.789 -6.913 16 HG23 VAL 3 2HG2 VAL 3 2.388 5.225 -5.894 17 H DLE 4 H DLE 4 6.329 5.667 -3.360 18 HA DLE 4 HA DLE 4 5.020 8.251 -3.440 19 HB2 DLE 4 2HB DLE 4 6.957 9.393 -4.348 20 HB3 DLE 4 3HB DLE 4 6.260 8.272 -5.501 21 HG DLE 4 HG DLE 4 8.150 6.662 -4.470 22 HD11 DLE 4 1HD1 DLE 4 9.294 7.916 -2.946 23 HD12 DLE 4 2HD1 DLE 4 9.004 9.445 -3.809 24 HD13 DLE 4 3HD1 DLE 4 10.230 8.303 -4.409 25 HD21 DLE 4 3HD2 DLE 4 8.999 6.744 -6.540 26 HD22 DLE 4 1HD2 DLE 4 9.300 8.496 -6.459 27 HD23 DLE 4 2HD2 DLE 4 7.678 7.890 -6.870 28 H TYR 5 H TYR 5 5.743 6.092 -1.554 29 HA TYR 5 HA TYR 5 6.382 7.566 0.680 30 HB2 TYR 5 2HB TYR 5 6.215 4.730 0.009 31 HB3 TYR 5 3HB TYR 5 7.387 5.057 1.280 32 HD1 TYR 5 HD1 TYR 5 4.170 6.794 0.580 33 HD2 TYR 5 HD2 TYR 5 6.351 4.267 3.218 34 HE1 TYR 5 HE1 TYR 5 2.343 6.938 2.219 35 HE2 TYR 5 HE2 TYR 5 4.529 4.403 4.864 36 HH TYR 5 HH TYR 5 2.406 5.059 5.211 37 HA PRO 6 HA PRO 6 7.495 6.712 2.729 38 HB2 PRO 6 2HB PRO 6 8.791 8.493 4.316 39 HB3 PRO 6 3HB PRO 6 9.351 6.833 4.078 40 HG2 PRO 6 2HG PRO 6 10.296 9.357 2.774 41 HG3 PRO 6 3HG PRO 6 11.247 8.001 3.407 42 HD2 PRO 6 2HD PRO 6 10.722 8.305 0.768 43 HD3 PRO 6 3HD PRO 6 10.891 6.710 1.531 44 H TRP 7 H TRP 7 8.198 9.441 0.785 45 HA TRP 7 HA TRP 7 6.148 11.068 2.109 46 HB2 TRP 7 2HB TRP 7 8.600 11.667 0.724 47 HB3 TRP 7 3HB TRP 7 7.256 12.491 -0.062 48 HD1 TRP 7 HD1 TRP 7 7.300 14.905 0.790 49 HE1 TRP 7 HE1 TRP 7 7.467 16.043 3.093 50 HE3 TRP 7 HE3 TRP 7 8.062 10.764 3.690 51 HZ2 TRP 7 HZ2 TRP 7 7.869 15.286 5.782 52 HZ3 TRP 7 HZ3 TRP 7 8.329 11.057 6.118 53 HH2 TRP 7 HH2 TRP 7 8.235 13.272 7.140 54 H CYS 8 H CYS 8 4.298 9.997 1.388 55 HA CYS 8 HA CYS 8 3.862 9.652 -1.458 56 HB2 CYS 8 2HB CYS 8 2.904 8.385 0.838 57 HB3 CYS 8 3HB CYS 8 1.515 9.265 0.208
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