NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
568101 | 2m6e | 19130 | 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 1.514 -0.555 -1.986 3 HA3 GLY 1 HA3 GLY 1 2.181 1.021 -1.587 4 H CYS 2 H CYS 2 2.719 -2.429 -1.533 5 HA CYS 2 HA CYS 2 5.341 -2.223 -0.360 6 HB2 CYS 2 HB2 CYS 2 5.499 -4.633 -0.842 7 HB3 CYS 2 HB3 CYS 2 4.001 -4.235 -0.007 8 H VAL 3 H VAL 3 7.290 -2.230 -1.371 9 HA VAL 3 HA VAL 3 7.596 -1.147 -3.889 10 HB VAL 3 HB VAL 3 9.560 -2.976 -2.501 11 HG11 VAL 3 HG11 VAL 3 9.712 -1.220 -4.886 12 HG12 VAL 3 HG12 VAL 3 11.106 -1.249 -3.804 13 HG13 VAL 3 HG13 VAL 3 10.533 -2.743 -4.545 14 HG21 VAL 3 HG21 VAL 3 8.567 -0.390 -1.784 15 HG22 VAL 3 HG22 VAL 3 9.752 -1.396 -0.951 16 HG23 VAL 3 HG23 VAL 3 10.276 -0.270 -2.203 17 H DLE 4 H DLE 4 6.603 -2.023 -5.712 18 HA DLE 4 HA DLE 4 6.916 -4.896 -6.101 19 HB2 DLE 4 HB2 DLE 4 7.739 -4.620 -8.346 20 HB3 DLE 4 HB3 DLE 4 8.839 -3.900 -7.187 21 HG DLE 4 HG DLE 4 6.888 -1.994 -8.291 22 HD11 DLE 4 HD11 DLE 4 8.895 -3.303 -10.147 23 HD12 DLE 4 HD12 DLE 4 7.978 -1.817 -10.495 24 HD13 DLE 4 HD13 DLE 4 7.121 -3.362 -10.280 25 HD21 DLE 4 HD21 DLE 4 8.572 -0.992 -7.078 26 HD22 DLE 4 HD22 DLE 4 9.177 -0.815 -8.742 27 HD23 DLE 4 HD23 DLE 4 9.826 -2.097 -7.692 28 H TYR 5 H TYR 5 4.753 -3.220 -5.272 29 HA TYR 5 HA TYR 5 2.617 -4.243 -6.589 30 HB2 TYR 5 HB2 TYR 5 2.223 -3.064 -4.569 31 HB3 TYR 5 HB3 TYR 5 2.911 -1.577 -5.212 32 HD1 TYR 5 HD1 TYR 5 1.645 -0.283 -6.933 33 HD2 TYR 5 HD2 TYR 5 -0.068 -3.599 -4.890 34 HE1 TYR 5 HE1 TYR 5 -0.598 0.469 -7.606 35 HE2 TYR 5 HE2 TYR 5 -2.316 -2.857 -5.559 36 HH TYR 5 HH TYR 5 -3.134 -0.019 -6.420 37 HA PRO 6 HA PRO 6 0.628 -4.063 -7.379 38 HB2 PRO 6 HB2 PRO 6 -0.175 -5.309 -9.653 39 HB3 PRO 6 HB3 PRO 6 -0.808 -3.740 -9.143 40 HG2 PRO 6 HG2 PRO 6 1.318 -4.361 -11.157 41 HG3 PRO 6 HG3 PRO 6 -0.007 -3.187 -11.255 42 HD2 PRO 6 HD2 PRO 6 2.531 -2.471 -10.641 43 HD3 PRO 6 HD3 PRO 6 1.115 -1.625 -9.985 44 H TRP 7 H TRP 7 3.248 -4.801 -9.574 45 HA TRP 7 HA TRP 7 3.205 -7.632 -9.043 46 HB2 TRP 7 HB2 TRP 7 5.456 -6.050 -10.288 47 HB3 TRP 7 HB3 TRP 7 5.119 -7.769 -10.468 48 HD1 TRP 7 HD1 TRP 7 5.055 -5.001 -12.589 49 HE1 TRP 7 HE1 TRP 7 3.175 -5.079 -14.346 50 HE3 TRP 7 HE3 TRP 7 2.060 -8.528 -10.415 51 HZ2 TRP 7 HZ2 TRP 7 0.744 -6.454 -14.755 52 HZ3 TRP 7 HZ3 TRP 7 -0.026 -9.167 -11.553 53 HH2 TRP 7 HH2 TRP 7 -0.669 -8.150 -13.678 54 H CYS 8 H CYS 8 3.256 -7.350 -6.672 55 HA CYS 8 HA CYS 8 5.698 -6.416 -5.464 56 HB2 CYS 8 HB2 CYS 8 3.099 -7.495 -4.499 57 HB3 CYS 8 HB3 CYS 8 4.488 -7.662 -3.430 Start of MODEL 2 1 H1 GLY 1 H GLY 1 2.298 1.634 0.024 2 HA2 GLY 1 HA2 GLY 1 1.354 -0.598 -0.536 3 HA3 GLY 1 HA3 GLY 1 1.704 -0.205 -2.213 4 H CYS 2 H CYS 2 2.700 -2.502 -1.499 5 HA CYS 2 HA CYS 2 5.317 -2.291 -0.315 6 HB2 CYS 2 HB2 CYS 2 5.491 -4.687 -0.770 7 HB3 CYS 2 HB3 CYS 2 3.946 -4.312 -0.012 8 H VAL 3 H VAL 3 7.271 -2.285 -1.319 9 HA VAL 3 HA VAL 3 7.582 -1.170 -3.822 10 HB VAL 3 HB VAL 3 9.543 -3.005 -2.437 11 HG11 VAL 3 HG11 VAL 3 10.791 -2.722 -4.256 12 HG12 VAL 3 HG12 VAL 3 9.639 -1.573 -4.940 13 HG13 VAL 3 HG13 VAL 3 10.898 -1.012 -3.838 14 HG21 VAL 3 HG21 VAL 3 9.301 -1.388 -0.853 15 HG22 VAL 3 HG22 VAL 3 10.477 -0.578 -1.888 16 HG23 VAL 3 HG23 VAL 3 8.765 -0.173 -2.013 17 H DLE 4 H DLE 4 6.596 -2.028 -5.658 18 HA DLE 4 HA DLE 4 6.919 -4.895 -6.080 19 HB2 DLE 4 HB2 DLE 4 7.703 -4.546 -8.359 20 HB3 DLE 4 HB3 DLE 4 8.838 -3.956 -7.162 21 HG DLE 4 HG DLE 4 7.263 -1.724 -7.802 22 HD11 DLE 4 HD11 DLE 4 6.310 -2.664 -9.742 23 HD12 DLE 4 HD12 DLE 4 7.852 -3.395 -10.248 24 HD13 DLE 4 HD13 DLE 4 7.640 -1.628 -10.315 25 HD21 DLE 4 HD21 DLE 4 9.461 -1.273 -7.355 26 HD22 DLE 4 HD22 DLE 4 9.470 -1.156 -9.131 27 HD23 DLE 4 HD23 DLE 4 10.061 -2.633 -8.333 28 H TYR 5 H TYR 5 4.750 -3.231 -5.240 29 HA TYR 5 HA TYR 5 2.620 -4.245 -6.575 30 HB2 TYR 5 HB2 TYR 5 2.216 -3.088 -4.544 31 HB3 TYR 5 HB3 TYR 5 2.904 -1.593 -5.169 32 HD1 TYR 5 HD1 TYR 5 1.642 -0.283 -6.880 33 HD2 TYR 5 HD2 TYR 5 -0.073 -3.624 -4.880 34 HE1 TYR 5 HE1 TYR 5 -0.600 0.472 -7.554 35 HE2 TYR 5 HE2 TYR 5 -2.319 -2.879 -5.549 36 HH TYR 5 HH TYR 5 -3.402 -1.503 -7.149 37 HA PRO 6 HA PRO 6 0.634 -4.061 -7.370 38 HB2 PRO 6 HB2 PRO 6 -0.159 -5.285 -9.660 39 HB3 PRO 6 HB3 PRO 6 -0.797 -3.722 -9.136 40 HG2 PRO 6 HG2 PRO 6 1.338 -4.318 -11.149 41 HG3 PRO 6 HG3 PRO 6 0.010 -3.146 -11.240 42 HD2 PRO 6 HD2 PRO 6 2.544 -2.431 -10.609 43 HD3 PRO 6 HD3 PRO 6 1.124 -1.595 -9.949 44 H TRP 7 H TRP 7 3.263 -4.771 -9.564 45 HA TRP 7 HA TRP 7 3.224 -7.607 -9.063 46 HB2 TRP 7 HB2 TRP 7 5.476 -6.007 -10.283 47 HB3 TRP 7 HB3 TRP 7 5.143 -7.725 -10.482 48 HD1 TRP 7 HD1 TRP 7 5.081 -4.936 -12.575 49 HE1 TRP 7 HE1 TRP 7 3.208 -4.999 -14.338 50 HE3 TRP 7 HE3 TRP 7 2.085 -8.491 -10.448 51 HZ2 TRP 7 HZ2 TRP 7 0.780 -6.374 -14.770 52 HZ3 TRP 7 HZ3 TRP 7 0.005 -9.123 -11.600 53 HH2 TRP 7 HH2 TRP 7 -0.632 -8.085 -13.716 54 H CYS 8 H CYS 8 3.266 -7.350 -6.689 55 HA CYS 8 HA CYS 8 5.702 -6.423 -5.463 56 HB2 CYS 8 HB2 CYS 8 3.102 -7.518 -4.517 57 HB3 CYS 8 HB3 CYS 8 4.487 -7.693 -3.445 Start of MODEL 3 1 H1 GLY 1 H GLY 1 2.743 1.698 -0.324 2 HA2 GLY 1 HA2 GLY 1 1.356 -0.632 -0.505 3 HA3 GLY 1 HA3 GLY 1 1.694 -0.236 -2.184 4 H CYS 2 H CYS 2 2.707 -2.528 -1.481 5 HA CYS 2 HA CYS 2 5.328 -2.305 -0.309 6 HB2 CYS 2 HB2 CYS 2 5.513 -4.701 -0.782 7 HB3 CYS 2 HB3 CYS 2 3.980 -4.335 0.002 8 H VAL 3 H VAL 3 7.277 -2.285 -1.323 9 HA VAL 3 HA VAL 3 7.569 -1.163 -3.825 10 HB VAL 3 HB VAL 3 9.541 -2.983 -2.436 11 HG11 VAL 3 HG11 VAL 3 10.280 -2.746 -4.657 12 HG12 VAL 3 HG12 VAL 3 9.823 -1.043 -4.714 13 HG13 VAL 3 HG13 VAL 3 11.197 -1.556 -3.734 14 HG21 VAL 3 HG21 VAL 3 10.516 -0.872 -1.595 15 HG22 VAL 3 HG22 VAL 3 9.151 0.005 -2.286 16 HG23 VAL 3 HG23 VAL 3 8.885 -1.162 -0.990 17 H DLE 4 H DLE 4 6.580 -2.022 -5.659 18 HA DLE 4 HA DLE 4 6.917 -4.887 -6.089 19 HB2 DLE 4 HB2 DLE 4 7.667 -4.507 -8.388 20 HB3 DLE 4 HB3 DLE 4 8.822 -3.966 -7.186 21 HG DLE 4 HG DLE 4 7.190 -1.726 -7.834 22 HD11 DLE 4 HD11 DLE 4 7.733 -3.501 -10.140 23 HD12 DLE 4 HD12 DLE 4 8.127 -1.780 -10.365 24 HD13 DLE 4 HD13 DLE 4 6.477 -2.261 -9.904 25 HD21 DLE 4 HD21 DLE 4 9.535 -1.131 -8.984 26 HD22 DLE 4 HD22 DLE 4 10.046 -2.527 -8.006 27 HD23 DLE 4 HD23 DLE 4 9.285 -1.121 -7.222 28 H TYR 5 H TYR 5 4.742 -3.237 -5.234 29 HA TYR 5 HA TYR 5 2.611 -4.260 -6.561 30 HB2 TYR 5 HB2 TYR 5 2.212 -3.110 -4.525 31 HB3 TYR 5 HB3 TYR 5 2.887 -1.610 -5.150 32 HD1 TYR 5 HD1 TYR 5 1.609 -0.303 -6.851 33 HD2 TYR 5 HD2 TYR 5 -0.076 -3.659 -4.850 34 HE1 TYR 5 HE1 TYR 5 -0.641 0.440 -7.512 35 HE2 TYR 5 HE2 TYR 5 -2.330 -2.925 -5.506 36 HH TYR 5 HH TYR 5 -3.107 -1.164 -7.769 37 HA PRO 6 HA PRO 6 0.620 -4.085 -7.345 38 HB2 PRO 6 HB2 PRO 6 -0.177 -5.308 -9.634 39 HB3 PRO 6 HB3 PRO 6 -0.821 -3.751 -9.103 40 HG2 PRO 6 HG2 PRO 6 1.306 -4.329 -11.128 41 HG3 PRO 6 HG3 PRO 6 -0.029 -3.165 -11.209 42 HD2 PRO 6 HD2 PRO 6 2.505 -2.437 -10.590 43 HD3 PRO 6 HD3 PRO 6 1.083 -1.610 -9.920 44 H TRP 7 H TRP 7 3.242 -4.775 -9.554 45 HA TRP 7 HA TRP 7 3.222 -7.612 -9.059 46 HB2 TRP 7 HB2 TRP 7 5.458 -5.997 -10.288 47 HB3 TRP 7 HB3 TRP 7 5.134 -7.717 -10.489 48 HD1 TRP 7 HD1 TRP 7 5.046 -4.923 -12.574 49 HE1 TRP 7 HE1 TRP 7 3.163 -4.992 -14.328 50 HE3 TRP 7 HE3 TRP 7 2.081 -8.499 -10.440 51 HZ2 TRP 7 HZ2 TRP 7 0.742 -6.380 -14.751 52 HZ3 TRP 7 HZ3 TRP 7 -0.002 -9.140 -11.583 53 HH2 TRP 7 HH2 TRP 7 -0.656 -8.101 -13.693 54 H CYS 8 H CYS 8 3.275 -7.361 -6.685 55 HA CYS 8 HA CYS 8 5.712 -6.423 -5.469 56 HB2 CYS 8 HB2 CYS 8 3.123 -7.535 -4.513 57 HB3 CYS 8 HB3 CYS 8 4.515 -7.704 -3.449 Start of MODEL 4 1 H1 GLY 1 H GLY 1 2.859 1.774 -0.596 2 HA2 GLY 1 HA2 GLY 1 1.367 -0.649 -0.545 3 HA3 GLY 1 HA3 GLY 1 1.732 -0.182 -2.199 4 H CYS 2 H CYS 2 2.719 -2.520 -1.481 5 HA CYS 2 HA CYS 2 5.345 -2.303 -0.317 6 HB2 CYS 2 HB2 CYS 2 5.520 -4.703 -0.802 7 HB3 CYS 2 HB3 CYS 2 4.006 -4.328 0.014 8 H VAL 3 H VAL 3 7.291 -2.291 -1.335 9 HA VAL 3 HA VAL 3 7.580 -1.178 -3.842 10 HB VAL 3 HB VAL 3 9.545 -2.995 -2.438 11 HG11 VAL 3 HG11 VAL 3 9.905 -1.020 -4.686 12 HG12 VAL 3 HG12 VAL 3 11.235 -1.725 -3.764 13 HG13 VAL 3 HG13 VAL 3 10.185 -2.760 -4.733 14 HG21 VAL 3 HG21 VAL 3 8.907 -1.144 -1.024 15 HG22 VAL 3 HG22 VAL 3 10.539 -0.876 -1.636 16 HG23 VAL 3 HG23 VAL 3 9.179 -0.002 -2.340 17 H DLE 4 H DLE 4 6.584 -2.038 -5.671 18 HA DLE 4 HA DLE 4 6.909 -4.905 -6.094 19 HB2 DLE 4 HB2 DLE 4 7.722 -4.600 -8.338 20 HB3 DLE 4 HB3 DLE 4 8.823 -3.886 -7.176 21 HG DLE 4 HG DLE 4 6.800 -2.077 -8.413 22 HD11 DLE 4 HD11 DLE 4 9.289 -2.687 -9.980 23 HD12 DLE 4 HD12 DLE 4 7.778 -1.903 -10.501 24 HD13 DLE 4 HD13 DLE 4 7.816 -3.659 -10.213 25 HD21 DLE 4 HD21 DLE 4 9.156 -0.777 -8.520 26 HD22 DLE 4 HD22 DLE 4 9.493 -1.906 -7.185 27 HD23 DLE 4 HD23 DLE 4 8.103 -0.798 -7.085 28 H TYR 5 H TYR 5 4.743 -3.246 -5.238 29 HA TYR 5 HA TYR 5 2.605 -4.265 -6.556 30 HB2 TYR 5 HB2 TYR 5 2.214 -3.108 -4.522 31 HB3 TYR 5 HB3 TYR 5 2.894 -1.612 -5.153 32 HD1 TYR 5 HD1 TYR 5 1.615 -0.305 -6.855 33 HD2 TYR 5 HD2 TYR 5 -0.076 -3.650 -4.840 34 HE1 TYR 5 HE1 TYR 5 -0.633 0.444 -7.511 35 HE2 TYR 5 HE2 TYR 5 -2.329 -2.910 -5.492 36 HH TYR 5 HH TYR 5 -2.905 -0.633 -7.855 37 HA PRO 6 HA PRO 6 0.612 -4.086 -7.335 38 HB2 PRO 6 HB2 PRO 6 -0.196 -5.312 -9.618 39 HB3 PRO 6 HB3 PRO 6 -0.833 -3.751 -9.090 40 HG2 PRO 6 HG2 PRO 6 1.287 -4.343 -11.119 41 HG3 PRO 6 HG3 PRO 6 -0.044 -3.173 -11.200 42 HD2 PRO 6 HD2 PRO 6 2.493 -2.452 -10.589 43 HD3 PRO 6 HD3 PRO 6 1.076 -1.620 -9.918 44 H TRP 7 H TRP 7 3.225 -4.790 -9.549 45 HA TRP 7 HA TRP 7 3.197 -7.626 -9.046 46 HB2 TRP 7 HB2 TRP 7 5.436 -6.022 -10.285 47 HB3 TRP 7 HB3 TRP 7 5.105 -7.741 -10.481 48 HD1 TRP 7 HD1 TRP 7 5.021 -4.952 -12.574 49 HE1 TRP 7 HE1 TRP 7 3.133 -5.021 -14.323 50 HE3 TRP 7 HE3 TRP 7 2.050 -8.513 -10.422 51 HZ2 TRP 7 HZ2 TRP 7 0.706 -6.401 -14.735 52 HZ3 TRP 7 HZ3 TRP 7 -0.038 -9.150 -11.558 53 HH2 TRP 7 HH2 TRP 7 -0.694 -8.115 -13.669 54 H CYS 8 H CYS 8 3.257 -7.368 -6.673 55 HA CYS 8 HA CYS 8 5.700 -6.436 -5.466 56 HB2 CYS 8 HB2 CYS 8 3.110 -7.536 -4.500 57 HB3 CYS 8 HB3 CYS 8 4.504 -7.707 -3.439 Start of MODEL 5 1 H1 GLY 1 H GLY 1 1.155 1.789 -0.782 2 HA2 GLY 1 HA2 GLY 1 1.331 -0.701 -0.630 3 HA3 GLY 1 HA3 GLY 1 1.764 -0.093 -2.221 4 H CYS 2 H CYS 2 2.704 -2.518 -1.479 5 HA CYS 2 HA CYS 2 5.322 -2.302 -0.299 6 HB2 CYS 2 HB2 CYS 2 5.497 -4.701 -0.762 7 HB3 CYS 2 HB3 CYS 2 3.963 -4.325 0.015 8 H VAL 3 H VAL 3 7.275 -2.297 -1.305 9 HA VAL 3 HA VAL 3 7.582 -1.185 -3.811 10 HB VAL 3 HB VAL 3 9.536 -3.008 -2.398 11 HG11 VAL 3 HG11 VAL 3 9.653 -1.564 -4.922 12 HG12 VAL 3 HG12 VAL 3 10.968 -1.136 -3.824 13 HG13 VAL 3 HG13 VAL 3 10.715 -2.820 -4.285 14 HG21 VAL 3 HG21 VAL 3 9.383 -1.357 -0.860 15 HG22 VAL 3 HG22 VAL 3 10.468 -0.525 -1.974 16 HG23 VAL 3 HG23 VAL 3 8.737 -0.191 -2.015 17 H DLE 4 H DLE 4 6.597 -2.044 -5.645 18 HA DLE 4 HA DLE 4 6.918 -4.912 -6.065 19 HB2 DLE 4 HB2 DLE 4 7.768 -4.628 -8.286 20 HB3 DLE 4 HB3 DLE 4 8.841 -3.863 -7.131 21 HG DLE 4 HG DLE 4 6.940 -1.924 -8.113 22 HD11 DLE 4 HD11 DLE 4 8.052 -3.790 -10.123 23 HD12 DLE 4 HD12 DLE 4 8.223 -2.056 -10.489 24 HD13 DLE 4 HD13 DLE 4 6.611 -2.747 -10.185 25 HD21 DLE 4 HD21 DLE 4 9.358 -1.767 -7.098 26 HD22 DLE 4 HD22 DLE 4 8.790 -0.574 -8.291 27 HD23 DLE 4 HD23 DLE 4 9.855 -1.906 -8.801 28 H TYR 5 H TYR 5 4.750 -3.248 -5.223 29 HA TYR 5 HA TYR 5 2.618 -4.264 -6.554 30 HB2 TYR 5 HB2 TYR 5 2.218 -3.104 -4.523 31 HB3 TYR 5 HB3 TYR 5 2.904 -1.610 -5.151 32 HD1 TYR 5 HD1 TYR 5 1.638 -0.302 -6.862 33 HD2 TYR 5 HD2 TYR 5 -0.072 -3.641 -4.855 34 HE1 TYR 5 HE1 TYR 5 -0.605 0.452 -7.532 35 HE2 TYR 5 HE2 TYR 5 -2.320 -2.898 -5.521 36 HH TYR 5 HH TYR 5 -2.925 0.191 -6.817 37 HA PRO 6 HA PRO 6 0.630 -4.081 -7.345 38 HB2 PRO 6 HB2 PRO 6 -0.166 -5.307 -9.633 39 HB3 PRO 6 HB3 PRO 6 -0.803 -3.744 -9.109 40 HG2 PRO 6 HG2 PRO 6 1.328 -4.342 -11.125 41 HG3 PRO 6 HG3 PRO 6 0.000 -3.170 -11.215 42 HD2 PRO 6 HD2 PRO 6 2.535 -2.454 -10.589 43 HD3 PRO 6 HD3 PRO 6 1.116 -1.617 -9.928 44 H TRP 7 H TRP 7 3.256 -4.792 -9.543 45 HA TRP 7 HA TRP 7 3.219 -7.628 -9.038 46 HB2 TRP 7 HB2 TRP 7 5.468 -6.029 -10.264 47 HB3 TRP 7 HB3 TRP 7 5.135 -7.748 -10.461 48 HD1 TRP 7 HD1 TRP 7 5.070 -4.960 -12.556 49 HE1 TRP 7 HE1 TRP 7 3.193 -5.026 -14.316 50 HE3 TRP 7 HE3 TRP 7 2.078 -8.514 -10.420 51 HZ2 TRP 7 HZ2 TRP 7 0.766 -6.402 -14.743 52 HZ3 TRP 7 HZ3 TRP 7 -0.004 -9.147 -11.568 53 HH2 TRP 7 HH2 TRP 7 -0.645 -8.112 -13.685 54 H CYS 8 H CYS 8 3.264 -7.368 -6.664 55 HA CYS 8 HA CYS 8 5.702 -6.440 -5.443 56 HB2 CYS 8 HB2 CYS 8 3.103 -7.533 -4.492 57 HB3 CYS 8 HB3 CYS 8 4.491 -7.707 -3.422 Start of MODEL 6 1 H1 GLY 1 H GLY 1 1.572 0.711 0.724 2 HA2 GLY 1 HA2 GLY 1 1.498 -0.594 -1.912 3 HA3 GLY 1 HA3 GLY 1 2.178 0.992 -1.578 4 H CYS 2 H CYS 2 2.716 -2.444 -1.496 5 HA CYS 2 HA CYS 2 5.335 -2.245 -0.315 6 HB2 CYS 2 HB2 CYS 2 5.492 -4.649 -0.786 7 HB3 CYS 2 HB3 CYS 2 3.974 -4.256 0.015 8 H VAL 3 H VAL 3 7.287 -2.251 -1.321 9 HA VAL 3 HA VAL 3 7.601 -1.157 -3.833 10 HB VAL 3 HB VAL 3 9.555 -2.989 -2.435 11 HG11 VAL 3 HG11 VAL 3 10.297 -2.735 -4.655 12 HG12 VAL 3 HG12 VAL 3 9.856 -1.026 -4.692 13 HG13 VAL 3 HG13 VAL 3 11.223 -1.565 -3.715 14 HG21 VAL 3 HG21 VAL 3 9.456 -1.382 -0.862 15 HG22 VAL 3 HG22 VAL 3 10.451 -0.470 -1.996 16 HG23 VAL 3 HG23 VAL 3 8.706 -0.216 -1.951 17 H DLE 4 H DLE 4 6.610 -2.023 -5.662 18 HA DLE 4 HA DLE 4 6.921 -4.895 -6.064 19 HB2 DLE 4 HB2 DLE 4 7.711 -4.573 -8.340 20 HB3 DLE 4 HB3 DLE 4 8.844 -3.961 -7.151 21 HG DLE 4 HG DLE 4 7.331 -1.720 -7.776 22 HD11 DLE 4 HD11 DLE 4 8.036 -2.371 -10.492 23 HD12 DLE 4 HD12 DLE 4 6.482 -1.819 -9.822 24 HD13 DLE 4 HD13 DLE 4 6.869 -3.556 -9.859 25 HD21 DLE 4 HD21 DLE 4 9.327 -0.834 -8.606 26 HD22 DLE 4 HD22 DLE 4 9.887 -2.410 -9.215 27 HD23 DLE 4 HD23 DLE 4 9.854 -2.094 -7.464 28 H TYR 5 H TYR 5 4.759 -3.219 -5.233 29 HA TYR 5 HA TYR 5 2.624 -4.233 -6.560 30 HB2 TYR 5 HB2 TYR 5 2.228 -3.061 -4.536 31 HB3 TYR 5 HB3 TYR 5 2.918 -1.572 -5.172 32 HD1 TYR 5 HD2 TYR 5 1.656 -0.273 -6.892 33 HD2 TYR 5 HD1 TYR 5 -0.063 -3.595 -4.865 34 HE1 TYR 5 HE2 TYR 5 -0.585 0.483 -7.567 35 HE2 TYR 5 HE1 TYR 5 -2.309 -2.849 -5.534 36 HH TYR 5 HH TYR 5 -2.938 -0.822 -7.917 37 HA PRO 6 HA PRO 6 0.638 -4.047 -7.355 38 HB2 PRO 6 HB2 PRO 6 -0.160 -5.283 -9.636 39 HB3 PRO 6 HB3 PRO 6 -0.792 -3.715 -9.122 40 HG2 PRO 6 HG2 PRO 6 1.338 -4.331 -11.132 41 HG3 PRO 6 HG3 PRO 6 0.015 -3.155 -11.230 42 HD2 PRO 6 HD2 PRO 6 2.552 -2.445 -10.605 43 HD3 PRO 6 HD3 PRO 6 1.135 -1.599 -9.949 44 H TRP 7 H TRP 7 3.263 -4.780 -9.546 45 HA TRP 7 HA TRP 7 3.215 -7.613 -9.026 46 HB2 TRP 7 HB2 TRP 7 5.471 -6.029 -10.259 47 HB3 TRP 7 HB3 TRP 7 5.132 -7.748 -10.447 48 HD1 TRP 7 HD1 TRP 7 5.078 -4.971 -12.557 49 HE1 TRP 7 HE1 TRP 7 3.202 -5.040 -14.319 50 HE3 TRP 7 HE3 TRP 7 2.072 -8.502 -10.405 51 HZ2 TRP 7 HZ2 TRP 7 0.770 -6.409 -14.740 52 HZ3 TRP 7 HZ3 TRP 7 -0.012 -9.134 -11.551 53 HH2 TRP 7 HH2 TRP 7 -0.648 -8.108 -13.673 54 H CYS 8 H CYS 8 3.260 -7.342 -6.654 55 HA CYS 8 HA CYS 8 5.700 -6.415 -5.436 56 HB2 CYS 8 HB2 CYS 8 3.097 -7.495 -4.482 57 HB3 CYS 8 HB3 CYS 8 4.483 -7.668 -3.410 Start of MODEL 7 1 H1 GLY 1 H GLY 1 2.758 1.774 -0.428 2 HA2 GLY 1 HA2 GLY 1 1.304 -0.709 -0.711 3 HA3 GLY 1 HA3 GLY 1 1.795 0.012 -2.237 4 H CYS 2 H CYS 2 2.686 -2.490 -1.480 5 HA CYS 2 HA CYS 2 5.298 -2.284 -0.284 6 HB2 CYS 2 HB2 CYS 2 5.467 -4.688 -0.770 7 HB3 CYS 2 HB3 CYS 2 3.952 -4.302 0.039 8 H VAL 3 H VAL 3 7.258 -2.294 -1.279 9 HA VAL 3 HA VAL 3 7.587 -1.184 -3.782 10 HB VAL 3 HB VAL 3 9.546 -3.047 -2.435 11 HG11 VAL 3 HG11 VAL 3 10.651 -0.800 -3.876 12 HG12 VAL 3 HG12 VAL 3 11.003 -2.522 -4.033 13 HG13 VAL 3 HG13 VAL 3 9.658 -1.811 -4.926 14 HG21 VAL 3 HG21 VAL 3 8.993 -1.407 -0.827 15 HG22 VAL 3 HG22 VAL 3 10.506 -0.870 -1.558 16 HG23 VAL 3 HG23 VAL 3 8.982 -0.119 -2.032 17 H DLE 4 H DLE 4 6.604 -2.037 -5.621 18 HA DLE 4 HA DLE 4 6.911 -4.907 -6.039 19 HB2 DLE 4 HB2 DLE 4 7.889 -4.709 -8.151 20 HB3 DLE 4 HB3 DLE 4 8.840 -3.700 -7.079 21 HG DLE 4 HG DLE 4 6.731 -2.162 -8.365 22 HD11 DLE 4 HD11 DLE 4 7.149 -2.413 -10.604 23 HD12 DLE 4 HD12 DLE 4 7.336 -4.094 -10.051 24 HD13 DLE 4 HD13 DLE 4 8.775 -3.088 -10.344 25 HD21 DLE 4 HD21 DLE 4 9.742 -1.897 -8.541 26 HD22 DLE 4 HD22 DLE 4 8.751 -1.281 -7.197 27 HD23 DLE 4 HD23 DLE 4 8.519 -0.638 -8.841 28 H TYR 5 H TYR 5 4.748 -3.226 -5.212 29 HA TYR 5 HA TYR 5 2.618 -4.228 -6.554 30 HB2 TYR 5 HB2 TYR 5 2.214 -3.063 -4.528 31 HB3 TYR 5 HB3 TYR 5 2.913 -1.574 -5.154 32 HD1 TYR 5 HD2 TYR 5 1.666 -0.263 -6.876 33 HD2 TYR 5 HD1 TYR 5 -0.077 -3.587 -4.872 34 HE1 TYR 5 HE2 TYR 5 -0.568 0.504 -7.560 35 HE2 TYR 5 HE1 TYR 5 -2.316 -2.830 -5.552 36 HH TYR 5 HH TYR 5 -3.363 -1.449 -7.226 37 HA PRO 6 HA PRO 6 0.637 -4.032 -7.359 38 HB2 PRO 6 HB2 PRO 6 -0.153 -5.257 -9.650 39 HB3 PRO 6 HB3 PRO 6 -0.783 -3.688 -9.133 40 HG2 PRO 6 HG2 PRO 6 1.357 -4.304 -11.134 41 HG3 PRO 6 HG3 PRO 6 0.038 -3.123 -11.234 42 HD2 PRO 6 HD2 PRO 6 2.574 -2.423 -10.593 43 HD3 PRO 6 HD3 PRO 6 1.156 -1.576 -9.941 44 H TRP 7 H TRP 7 3.271 -4.766 -9.539 45 HA TRP 7 HA TRP 7 3.211 -7.600 -9.031 46 HB2 TRP 7 HB2 TRP 7 5.479 -6.019 -10.245 47 HB3 TRP 7 HB3 TRP 7 5.135 -7.735 -10.441 48 HD1 TRP 7 HD1 TRP 7 5.102 -4.950 -12.541 49 HE1 TRP 7 HE1 TRP 7 3.236 -5.006 -14.313 50 HE3 TRP 7 HE3 TRP 7 2.072 -8.480 -10.419 51 HZ2 TRP 7 HZ2 TRP 7 0.801 -6.365 -14.752 52 HZ3 TRP 7 HZ3 TRP 7 -0.007 -9.100 -11.579 53 HH2 TRP 7 HH2 TRP 7 -0.628 -8.064 -13.700 54 H CYS 8 H CYS 8 3.244 -7.338 -6.657 55 HA CYS 8 HA CYS 8 5.681 -6.424 -5.422 56 HB2 CYS 8 HB2 CYS 8 3.069 -7.499 -4.486 57 HB3 CYS 8 HB3 CYS 8 4.449 -7.681 -3.408 Start of MODEL 8 1 H1 GLY 1 H GLY 1 0.482 -0.232 0.369 2 HA2 GLY 1 HA2 GLY 1 1.561 -0.780 -1.675 3 HA3 GLY 1 HA3 GLY 1 2.238 0.783 -1.241 4 H CYS 2 H CYS 2 2.803 -2.645 -1.425 5 HA CYS 2 HA CYS 2 5.455 -2.506 -0.309 6 HB2 CYS 2 HB2 CYS 2 5.614 -4.861 -0.880 7 HB3 CYS 2 HB3 CYS 2 4.055 -4.543 -0.125 8 H VAL 3 H VAL 3 7.376 -2.418 -1.368 9 HA VAL 3 HA VAL 3 7.607 -1.145 -3.803 10 HB VAL 3 HB VAL 3 9.625 -3.059 -2.623 11 HG11 VAL 3 HG11 VAL 3 10.236 -2.540 -4.864 12 HG12 VAL 3 HG12 VAL 3 9.865 -0.830 -4.635 13 HG13 VAL 3 HG13 VAL 3 11.246 -1.553 -3.809 14 HG21 VAL 3 HG21 VAL 3 10.595 -0.847 -1.746 15 HG22 VAL 3 HG22 VAL 3 8.986 -0.187 -2.037 16 HG23 VAL 3 HG23 VAL 3 9.199 -1.528 -0.912 17 H DLE 4 H DLE 4 6.572 -1.890 -5.660 18 HA DLE 4 HA DLE 4 6.897 -4.723 -6.274 19 HB2 DLE 4 HB2 DLE 4 7.598 -4.212 -8.556 20 HB3 DLE 4 HB3 DLE 4 8.776 -3.720 -7.355 21 HG DLE 4 HG DLE 4 6.954 -1.542 -8.028 22 HD11 DLE 4 HD11 DLE 4 6.967 -2.863 -10.190 23 HD12 DLE 4 HD12 DLE 4 8.705 -2.492 -10.300 24 HD13 DLE 4 HD13 DLE 4 7.511 -1.171 -10.294 25 HD21 DLE 4 HD21 DLE 4 9.301 -1.610 -6.875 26 HD22 DLE 4 HD22 DLE 4 8.859 -0.251 -7.936 27 HD23 DLE 4 HD23 DLE 4 9.908 -1.553 -8.547 28 H TYR 5 H TYR 5 4.745 -3.133 -5.265 29 HA TYR 5 HA TYR 5 2.578 -4.076 -6.584 30 HB2 TYR 5 HB2 TYR 5 2.239 -3.023 -4.484 31 HB3 TYR 5 HB3 TYR 5 2.898 -1.495 -5.058 32 HD1 TYR 5 HD1 TYR 5 1.572 -0.108 -6.654 33 HD2 TYR 5 HD2 TYR 5 -0.056 -3.561 -4.776 34 HE1 TYR 5 HE1 TYR 5 -0.695 0.663 -7.215 35 HE2 TYR 5 HE2 TYR 5 -2.328 -2.799 -5.333 36 HH TYR 5 HH TYR 5 -2.895 0.342 -6.839 37 HA PRO 6 HA PRO 6 0.570 -3.864 -7.308 38 HB2 PRO 6 HB2 PRO 6 -0.287 -4.976 -9.632 39 HB3 PRO 6 HB3 PRO 6 -0.916 -3.446 -9.010 40 HG2 PRO 6 HG2 PRO 6 1.158 -3.926 -11.115 41 HG3 PRO 6 HG3 PRO 6 -0.177 -2.759 -11.106 42 HD2 PRO 6 HD2 PRO 6 2.373 -2.061 -10.517 43 HD3 PRO 6 HD3 PRO 6 0.969 -1.268 -9.772 44 H TRP 7 H TRP 7 3.142 -4.441 -9.603 45 HA TRP 7 HA TRP 7 3.129 -7.301 -9.257 46 HB2 TRP 7 HB2 TRP 7 4.542 -5.354 -10.917 47 HB3 TRP 7 HB3 TRP 7 5.588 -6.649 -10.341 48 HD1 TRP 7 HD1 TRP 7 5.788 -8.388 -12.201 49 HE1 TRP 7 HE1 TRP 7 4.170 -9.537 -13.840 50 HE3 TRP 7 HE3 TRP 7 1.494 -5.892 -10.988 51 HZ2 TRP 7 HZ2 TRP 7 1.436 -9.403 -14.528 52 HZ3 TRP 7 HZ3 TRP 7 -0.579 -6.461 -12.184 53 HH2 TRP 7 HH2 TRP 7 -0.606 -8.181 -13.918 54 H CYS 8 H CYS 8 3.274 -7.360 -6.930 55 HA CYS 8 HA CYS 8 5.751 -6.452 -5.713 56 HB2 CYS 8 HB2 CYS 8 3.144 -7.496 -4.730 57 HB3 CYS 8 HB3 CYS 8 4.555 -7.760 -3.710 Start of MODEL 9 1 H1 GLY 1 H GLY 1 1.874 -0.579 1.112 2 HA2 GLY 1 HA2 GLY 1 1.538 -0.718 -1.704 3 HA3 GLY 1 HA3 GLY 1 2.224 0.835 -1.251 4 H CYS 2 H CYS 2 2.753 -2.604 -1.427 5 HA CYS 2 HA CYS 2 5.397 -2.488 -0.288 6 HB2 CYS 2 HB2 CYS 2 5.538 -4.852 -0.895 7 HB3 CYS 2 HB3 CYS 2 4.014 -4.513 -0.080 8 H VAL 3 H VAL 3 7.327 -2.424 -1.331 9 HA VAL 3 HA VAL 3 7.593 -1.165 -3.770 10 HB VAL 3 HB VAL 3 9.578 -3.093 -2.558 11 HG11 VAL 3 HG11 VAL 3 10.548 -2.699 -4.569 12 HG12 VAL 3 HG12 VAL 3 9.677 -1.184 -4.816 13 HG13 VAL 3 HG13 VAL 3 11.082 -1.231 -3.750 14 HG21 VAL 3 HG21 VAL 3 8.646 -0.480 -1.712 15 HG22 VAL 3 HG22 VAL 3 9.661 -1.646 -0.862 16 HG23 VAL 3 HG23 VAL 3 10.387 -0.506 -1.995 17 H DLE 4 H DLE 4 6.566 -1.908 -5.633 18 HA DLE 4 HA DLE 4 6.866 -4.747 -6.231 19 HB2 DLE 4 HB2 DLE 4 7.657 -4.318 -8.460 20 HB3 DLE 4 HB3 DLE 4 8.772 -3.668 -7.275 21 HG DLE 4 HG DLE 4 6.813 -1.687 -8.185 22 HD11 DLE 4 HD11 DLE 4 8.775 -2.722 -10.245 23 HD12 DLE 4 HD12 DLE 4 7.593 -1.405 -10.431 24 HD13 DLE 4 HD13 DLE 4 7.033 -3.084 -10.246 25 HD21 DLE 4 HD21 DLE 4 9.089 -1.493 -6.883 26 HD22 DLE 4 HD22 DLE 4 8.579 -0.231 -8.030 27 HD23 DLE 4 HD23 DLE 4 9.778 -1.450 -8.523 28 H TYR 5 H TYR 5 4.722 -3.130 -5.247 29 HA TYR 5 HA TYR 5 2.558 -4.056 -6.581 30 HB2 TYR 5 HB2 TYR 5 2.212 -2.991 -4.489 31 HB3 TYR 5 HB3 TYR 5 2.891 -1.472 -5.063 32 HD1 TYR 5 HD1 TYR 5 1.593 -0.079 -6.677 33 HD2 TYR 5 HD2 TYR 5 -0.087 -3.506 -4.797 34 HE1 TYR 5 HE1 TYR 5 -0.661 0.714 -7.260 35 HE2 TYR 5 HE2 TYR 5 -2.346 -2.724 -5.377 36 HH TYR 5 HH TYR 5 -2.870 -0.039 -7.510 37 HA PRO 6 HA PRO 6 0.557 -3.828 -7.323 38 HB2 PRO 6 HB2 PRO 6 -0.291 -4.940 -9.650 39 HB3 PRO 6 HB3 PRO 6 -0.909 -3.401 -9.040 40 HG2 PRO 6 HG2 PRO 6 1.178 -3.912 -11.124 41 HG3 PRO 6 HG3 PRO 6 -0.145 -2.731 -11.131 42 HD2 PRO 6 HD2 PRO 6 2.406 -2.057 -10.524 43 HD3 PRO 6 HD3 PRO 6 1.005 -1.246 -9.795 44 H TRP 7 H TRP 7 3.142 -4.441 -9.594 45 HA TRP 7 HA TRP 7 3.097 -7.299 -9.235 46 HB2 TRP 7 HB2 TRP 7 4.544 -5.375 -10.893 47 HB3 TRP 7 HB3 TRP 7 5.571 -6.678 -10.303 48 HD1 TRP 7 HD1 TRP 7 5.768 -8.428 -12.152 49 HE1 TRP 7 HE1 TRP 7 4.151 -9.568 -13.799 50 HE3 TRP 7 HE3 TRP 7 1.491 -5.880 -10.986 51 HZ2 TRP 7 HZ2 TRP 7 1.424 -9.408 -14.510 52 HZ3 TRP 7 HZ3 TRP 7 -0.579 -6.434 -12.196 53 HH2 TRP 7 HH2 TRP 7 -0.609 -8.161 -13.922 54 H CYS 8 H CYS 8 3.223 -7.347 -6.907 55 HA CYS 8 HA CYS 8 5.699 -6.459 -5.674 56 HB2 CYS 8 HB2 CYS 8 3.074 -7.475 -4.707 57 HB3 CYS 8 HB3 CYS 8 4.474 -7.747 -3.674 Start of MODEL 10 1 H1 GLY 1 H GLY 1 1.338 0.499 0.878 2 HA2 GLY 1 HA2 GLY 1 1.538 -0.697 -1.737 3 HA3 GLY 1 HA3 GLY 1 2.214 0.847 -1.239 4 H CYS 2 H CYS 2 2.746 -2.598 -1.434 5 HA CYS 2 HA CYS 2 5.384 -2.478 -0.284 6 HB2 CYS 2 HB2 CYS 2 5.531 -4.849 -0.944 7 HB3 CYS 2 HB3 CYS 2 4.051 -4.510 -0.053 8 H VAL 3 H VAL 3 7.320 -2.414 -1.318 9 HA VAL 3 HA VAL 3 7.595 -1.156 -3.757 10 HB VAL 3 HB VAL 3 9.574 -3.078 -2.524 11 HG11 VAL 3 HG11 VAL 3 10.828 -0.919 -3.847 12 HG12 VAL 3 HG12 VAL 3 10.871 -2.632 -4.270 13 HG13 VAL 3 HG13 VAL 3 9.627 -1.584 -4.953 14 HG21 VAL 3 HG21 VAL 3 8.896 -0.223 -1.964 15 HG22 VAL 3 HG22 VAL 3 9.233 -1.537 -0.837 16 HG23 VAL 3 HG23 VAL 3 10.551 -0.791 -1.742 17 H DLE 4 H DLE 4 6.577 -1.902 -5.624 18 HA DLE 4 HA DLE 4 6.883 -4.741 -6.218 19 HB2 DLE 4 HB2 DLE 4 7.602 -4.230 -8.506 20 HB3 DLE 4 HB3 DLE 4 8.782 -3.788 -7.288 21 HG DLE 4 HG DLE 4 7.356 -1.437 -7.634 22 HD11 DLE 4 HD11 DLE 4 6.413 -1.316 -9.636 23 HD12 DLE 4 HD12 DLE 4 6.788 -3.036 -9.899 24 HD13 DLE 4 HD13 DLE 4 7.941 -1.784 -10.420 25 HD21 DLE 4 HD21 DLE 4 10.013 -2.499 -8.313 26 HD22 DLE 4 HD22 DLE 4 9.545 -0.981 -7.511 27 HD23 DLE 4 HD23 DLE 4 9.507 -1.097 -9.286 28 H TYR 5 H TYR 5 4.733 -3.124 -5.246 29 HA TYR 5 HA TYR 5 2.575 -4.053 -6.589 30 HB2 TYR 5 HB2 TYR 5 2.219 -2.987 -4.499 31 HB3 TYR 5 HB3 TYR 5 2.899 -1.468 -5.071 32 HD1 TYR 5 HD1 TYR 5 1.607 -0.077 -6.691 33 HD2 TYR 5 HD2 TYR 5 -0.078 -3.505 -4.818 34 HE1 TYR 5 HE1 TYR 5 -0.645 0.713 -7.286 35 HE2 TYR 5 HE2 TYR 5 -2.335 -2.725 -5.408 36 HH TYR 5 HH TYR 5 -3.534 -1.180 -6.454 37 HA PRO 6 HA PRO 6 0.578 -3.826 -7.341 38 HB2 PRO 6 HB2 PRO 6 -0.258 -4.941 -9.671 39 HB3 PRO 6 HB3 PRO 6 -0.880 -3.402 -9.065 40 HG2 PRO 6 HG2 PRO 6 1.217 -3.912 -11.139 41 HG3 PRO 6 HG3 PRO 6 -0.107 -2.732 -11.153 42 HD2 PRO 6 HD2 PRO 6 2.441 -2.056 -10.534 43 HD3 PRO 6 HD3 PRO 6 1.035 -1.246 -9.812 44 H TRP 7 H TRP 7 3.174 -4.439 -9.600 45 HA TRP 7 HA TRP 7 3.130 -7.297 -9.239 46 HB2 TRP 7 HB2 TRP 7 4.581 -5.373 -10.892 47 HB3 TRP 7 HB3 TRP 7 5.608 -6.675 -10.297 48 HD1 TRP 7 HD1 TRP 7 5.813 -8.426 -12.144 49 HE1 TRP 7 HE1 TRP 7 4.204 -9.568 -13.797 50 HE3 TRP 7 HE3 TRP 7 1.530 -5.880 -10.998 51 HZ2 TRP 7 HZ2 TRP 7 1.480 -9.410 -14.520 52 HZ3 TRP 7 HZ3 TRP 7 -0.534 -6.436 -12.217 53 HH2 TRP 7 HH2 TRP 7 -0.557 -8.164 -13.941 54 H CYS 8 H CYS 8 3.245 -7.342 -6.909 55 HA CYS 8 HA CYS 8 5.714 -6.450 -5.666 56 HB2 CYS 8 HB2 CYS 8 3.087 -7.470 -4.711 57 HB3 CYS 8 HB3 CYS 8 4.483 -7.740 -3.672
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