NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
607772 | 5lff | 34016 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H2 ARG 1 2H ARG 1 1.869 -10.460 -1.054 2 H ARG 1 1H ARG 1 0.892 -10.525 0.313 3 HA ARG 1 HA ARG 1 0.330 -8.909 -1.545 4 HB2 ARG 1 1HB ARG 1 -0.731 -9.107 0.766 5 HB3 ARG 1 2HB ARG 1 0.448 -7.965 1.393 6 HG2 ARG 1 1HG ARG 1 -0.433 -6.232 -0.299 7 HG3 ARG 1 2HG ARG 1 -1.653 -7.380 -0.815 8 HD2 ARG 1 1HD ARG 1 -1.341 -6.248 2.051 9 HD3 ARG 1 2HD ARG 1 -2.448 -5.620 0.824 10 HE ARG 1 HE ARG 1 -3.060 -8.448 1.131 11 HH11 ARG 1 1HH1 ARG 1 -5.403 -8.144 3.598 12 HH12 ARG 1 2HH1 ARG 1 -4.644 -9.164 2.280 13 HH21 ARG 1 1HH2 ARG 1 -4.694 -6.187 4.011 14 HH22 ARG 1 2HH2 ARG 1 -3.302 -5.485 3.046 15 H ALA 2 H ALA 2 1.130 -7.279 -2.705 16 HA ALA 2 HA ALA 2 3.689 -5.818 -1.904 17 HB1 ALA 2 1HB ALA 2 2.103 -5.773 -4.549 18 HB2 ALA 2 2HB ALA 2 3.656 -4.966 -4.238 19 HB3 ALA 2 3HB ALA 2 3.563 -6.739 -4.208 20 H CYS 3 H CYS 3 2.478 -4.876 -0.078 21 HA CYS 3 HA CYS 3 1.596 -3.049 1.049 22 HB2 CYS 3 1HB CYS 3 3.301 -1.863 -0.449 23 HB3 CYS 3 2HB CYS 3 1.975 -1.413 -1.530 24 H ARG 4 H ARG 4 -0.119 -1.379 1.183 25 HA ARG 4 HA ARG 4 -2.760 -1.974 -0.167 26 HB2 ARG 4 1HB ARG 4 -1.779 0.086 1.876 27 HB3 ARG 4 2HB ARG 4 -3.125 0.544 0.870 28 HG2 ARG 4 1HG ARG 4 -4.573 -1.186 1.646 29 HG3 ARG 4 2HG ARG 4 -3.266 -2.112 2.363 30 HD2 ARG 4 1HD ARG 4 -4.633 -1.000 4.098 31 HD3 ARG 4 2HD ARG 4 -2.940 -0.507 4.169 32 HE ARG 4 HE ARG 4 -4.315 1.503 2.588 33 HH11 ARG 4 1HH1 ARG 4 -4.836 3.664 5.182 34 HH12 ARG 4 2HH1 ARG 4 -4.684 3.401 3.375 35 HH21 ARG 4 1HH2 ARG 4 -4.637 2.055 6.547 36 HH22 ARG 4 2HH2 ARG 4 -4.303 0.360 5.936 37 H PHE 5 H PHE 5 -0.515 0.819 -0.203 38 HA PHE 5 HA PHE 5 -0.358 0.940 -3.118 39 HB2 PHE 5 1HB PHE 5 -1.365 3.218 -3.530 40 HB3 PHE 5 2HB PHE 5 -2.453 1.884 -3.373 41 HD1 PHE 5 1HD PHE 5 -4.073 1.727 -1.502 42 HD2 PHE 5 2HD PHE 5 -1.360 5.057 -1.752 43 HE1 PHE 5 1HE PHE 5 -5.394 2.938 0.179 44 HE2 PHE 5 2HE PHE 5 -2.688 6.252 -0.060 45 HZ PHE 5 HZ PHE 5 -4.703 5.197 0.911 46 H PHE 6 H PHE 6 -0.137 3.240 -0.362 47 HA PHE 6 HA PHE 6 2.764 3.835 -1.169 48 HB2 PHE 6 1HB PHE 6 1.228 5.775 -1.165 49 HB3 PHE 6 2HB PHE 6 0.734 5.460 0.478 50 HD1 PHE 6 1HD PHE 6 3.762 6.355 -1.618 51 HD2 PHE 6 2HD PHE 6 1.999 6.415 2.308 52 HE1 PHE 6 1HE PHE 6 5.587 7.795 -0.807 53 HE2 PHE 6 2HE PHE 6 3.828 7.858 3.098 54 HZ PHE 6 HZ PHE 6 5.624 8.550 1.547 55 H CYS 7 H CYS 7 4.124 2.611 -0.079 56 HA CYS 7 HA CYS 7 3.847 2.270 2.968 57 HB2 CYS 7 1HB CYS 7 4.999 0.203 0.977 58 HB3 CYS 7 2HB CYS 7 5.268 0.166 2.724 Start of MODEL 2 1 H2 ARG 1 2H ARG 1 2.188 -10.388 -0.812 2 H ARG 1 1H ARG 1 0.669 -10.860 -0.321 3 HA ARG 1 HA ARG 1 0.249 -8.948 -1.632 4 HB2 ARG 1 1HB ARG 1 -0.879 -9.285 0.614 5 HB3 ARG 1 2HB ARG 1 0.310 -8.226 1.356 6 HG2 ARG 1 1HG ARG 1 -0.539 -6.228 0.109 7 HG3 ARG 1 2HG ARG 1 -1.625 -7.238 -0.864 8 HD2 ARG 1 1HD ARG 1 -1.766 -6.860 2.223 9 HD3 ARG 1 2HD ARG 1 -2.763 -5.985 1.059 10 HE ARG 1 HE ARG 1 -3.244 -8.778 0.454 11 HH11 ARG 1 1HH1 ARG 1 -5.721 -9.472 2.609 12 HH12 ARG 1 2HH1 ARG 1 -4.838 -9.921 1.104 13 HH21 ARG 1 1HH2 ARG 1 -5.216 -7.660 3.704 14 HH22 ARG 1 2HH2 ARG 1 -3.822 -6.638 3.107 15 H ALA 2 H ALA 2 1.406 -7.485 -2.782 16 HA ALA 2 HA ALA 2 3.762 -6.033 -1.620 17 HB1 ALA 2 1HB ALA 2 2.500 -6.003 -4.464 18 HB2 ALA 2 2HB ALA 2 3.987 -5.179 -3.968 19 HB3 ALA 2 3HB ALA 2 3.921 -6.945 -3.949 20 H CYS 3 H CYS 3 2.550 -4.927 0.011 21 HA CYS 3 HA CYS 3 1.675 -2.992 1.017 22 HB2 CYS 3 1HB CYS 3 3.501 -1.985 -0.597 23 HB3 CYS 3 2HB CYS 3 2.177 -1.623 -1.734 24 H ARG 4 H ARG 4 -0.059 -1.199 0.862 25 HA ARG 4 HA ARG 4 -2.545 -2.200 -0.620 26 HB2 ARG 4 1HB ARG 4 -2.477 -0.068 1.591 27 HB3 ARG 4 2HB ARG 4 -3.879 -0.425 0.519 28 HG2 ARG 4 1HG ARG 4 -3.926 -2.845 1.315 29 HG3 ARG 4 2HG ARG 4 -2.627 -2.506 2.472 30 HD2 ARG 4 1HD ARG 4 -4.652 -2.333 3.757 31 HD3 ARG 4 2HD ARG 4 -4.113 -0.678 3.548 32 HE ARG 4 HE ARG 4 -6.312 -1.968 1.766 33 HH11 ARG 4 1HH1 ARG 4 -8.121 0.919 1.652 34 HH12 ARG 4 2HH1 ARG 4 -7.913 -0.801 1.135 35 HH21 ARG 4 1HH2 ARG 4 -6.687 1.834 2.906 36 HH22 ARG 4 2HH2 ARG 4 -5.294 0.886 3.619 37 H PHE 5 H PHE 5 -0.721 0.908 -0.135 38 HA PHE 5 HA PHE 5 -0.800 1.302 -3.034 39 HB2 PHE 5 1HB PHE 5 -1.887 3.400 -3.268 40 HB3 PHE 5 2HB PHE 5 -3.009 2.284 -2.528 41 HD1 PHE 5 1HD PHE 5 -3.500 2.539 0.105 42 HD2 PHE 5 2HD PHE 5 -1.554 5.570 -2.291 43 HE1 PHE 5 1HE PHE 5 -3.887 4.269 1.876 44 HE2 PHE 5 2HE PHE 5 -1.979 7.222 -0.498 45 HZ PHE 5 HZ PHE 5 -3.075 6.560 1.566 46 H PHE 6 H PHE 6 -0.143 3.432 -0.215 47 HA PHE 6 HA PHE 6 2.771 3.665 -1.228 48 HB2 PHE 6 1HB PHE 6 1.324 5.748 -1.316 49 HB3 PHE 6 2HB PHE 6 1.168 5.720 0.378 50 HD1 PHE 6 1HD PHE 6 3.602 6.122 -2.427 51 HD2 PHE 6 2HD PHE 6 3.071 6.466 1.837 52 HE1 PHE 6 1HE PHE 6 5.786 7.243 -2.235 53 HE2 PHE 6 2HE PHE 6 5.129 7.750 1.967 54 HZ PHE 6 HZ PHE 6 6.576 8.064 -0.014 55 H CYS 7 H CYS 7 4.010 2.360 -0.107 56 HA CYS 7 HA CYS 7 3.945 2.382 2.991 57 HB2 CYS 7 1HB CYS 7 5.079 0.184 1.094 58 HB3 CYS 7 2HB CYS 7 5.124 0.228 2.839 Start of MODEL 3 1 H2 ARG 1 2H ARG 1 1.986 -10.098 -1.878 2 H ARG 1 1H ARG 1 0.654 -10.829 -1.329 3 HA ARG 1 HA ARG 1 -0.036 -8.613 -1.492 4 HB2 ARG 1 1HB ARG 1 -0.558 -9.839 0.648 5 HB3 ARG 1 2HB ARG 1 0.900 -9.181 1.365 6 HG2 ARG 1 1HG ARG 1 -0.111 -6.848 1.282 7 HG3 ARG 1 2HG ARG 1 -1.508 -7.442 0.347 8 HD2 ARG 1 1HD ARG 1 -0.733 -8.128 3.266 9 HD3 ARG 1 2HD ARG 1 -1.934 -6.919 2.847 10 HE ARG 1 HE ARG 1 -2.647 -9.523 1.619 11 HH11 ARG 1 1HH1 ARG 1 -4.591 -10.730 4.115 12 HH12 ARG 1 2HH1 ARG 1 -4.029 -10.858 2.398 13 HH21 ARG 1 1HH2 ARG 1 -3.770 -9.239 5.424 14 HH22 ARG 1 2HH2 ARG 1 -2.624 -8.009 4.744 15 H ALA 2 H ALA 2 1.347 -7.330 -2.769 16 HA ALA 2 HA ALA 2 3.721 -5.927 -1.628 17 HB1 ALA 2 1HB ALA 2 2.249 -5.470 -4.270 18 HB2 ALA 2 2HB ALA 2 3.816 -4.791 -3.794 19 HB3 ALA 2 3HB ALA 2 3.647 -6.535 -4.041 20 H CYS 3 H CYS 3 2.528 -5.193 0.246 21 HA CYS 3 HA CYS 3 1.761 -3.333 1.501 22 HB2 CYS 3 1HB CYS 3 3.611 -2.213 0.330 23 HB3 CYS 3 2HB CYS 3 2.506 -1.678 -0.956 24 H ARG 4 H ARG 4 0.328 -1.019 0.199 25 HA ARG 4 HA ARG 4 -2.335 -2.257 -0.711 26 HB2 ARG 4 1HB ARG 4 -2.132 -0.237 1.602 27 HB3 ARG 4 2HB ARG 4 -3.601 -0.428 0.660 28 HG2 ARG 4 1HG ARG 4 -3.654 -2.918 1.261 29 HG3 ARG 4 2HG ARG 4 -2.213 -2.665 2.299 30 HD2 ARG 4 1HD ARG 4 -4.100 -2.556 3.791 31 HD3 ARG 4 2HD ARG 4 -3.462 -0.908 3.653 32 HE ARG 4 HE ARG 4 -5.648 -1.357 1.622 33 HH11 ARG 4 1HH1 ARG 4 -8.074 0.144 3.413 34 HH12 ARG 4 2HH1 ARG 4 -7.506 -0.665 1.873 35 HH21 ARG 4 1HH2 ARG 4 -6.851 0.066 5.110 36 HH22 ARG 4 2HH2 ARG 4 -5.162 -0.660 5.013 37 H PHE 5 H PHE 5 -1.086 1.038 -0.054 38 HA PHE 5 HA PHE 5 -1.208 1.592 -3.060 39 HB2 PHE 5 1HB PHE 5 -1.985 3.999 -2.648 40 HB3 PHE 5 2HB PHE 5 -3.122 2.691 -2.560 41 HD1 PHE 5 1HD PHE 5 -4.160 2.034 -0.313 42 HD2 PHE 5 2HD PHE 5 -1.403 5.305 -0.573 43 HE1 PHE 5 1HE PHE 5 -4.970 2.946 1.861 44 HE2 PHE 5 2HE PHE 5 -2.262 6.191 1.568 45 HZ PHE 5 HZ PHE 5 -4.071 5.031 2.768 46 H PHE 6 H PHE 6 0.117 3.262 -0.152 47 HA PHE 6 HA PHE 6 2.873 3.027 -1.471 48 HB2 PHE 6 1HB PHE 6 1.925 5.250 -2.094 49 HB3 PHE 6 2HB PHE 6 1.674 5.655 -0.414 50 HD1 PHE 6 1HD PHE 6 4.470 4.543 -2.756 51 HD2 PHE 6 2HD PHE 6 3.398 6.882 0.692 52 HE1 PHE 6 1HE PHE 6 6.802 5.317 -2.506 53 HE2 PHE 6 2HE PHE 6 5.677 7.716 0.850 54 HZ PHE 6 HZ PHE 6 7.413 6.933 -0.759 55 H CYS 7 H CYS 7 3.967 1.856 -0.024 56 HA CYS 7 HA CYS 7 3.743 2.338 2.949 57 HB2 CYS 7 1HB CYS 7 5.373 0.384 1.216 58 HB3 CYS 7 2HB CYS 7 5.680 0.565 2.926 Start of MODEL 4 1 H2 ARG 1 2H ARG 1 2.228 -10.284 -1.214 2 H ARG 1 1H ARG 1 0.880 -10.773 -0.395 3 HA ARG 1 HA ARG 1 0.351 -8.830 -1.676 4 HB2 ARG 1 1HB ARG 1 -0.724 -9.450 0.497 5 HB3 ARG 1 2HB ARG 1 0.395 -8.380 1.397 6 HG2 ARG 1 1HG ARG 1 -0.487 -6.434 -0.003 7 HG3 ARG 1 2HG ARG 1 -1.746 -7.446 -0.628 8 HD2 ARG 1 1HD ARG 1 -1.335 -6.679 2.326 9 HD3 ARG 1 2HD ARG 1 -2.613 -6.106 1.243 10 HE ARG 1 HE ARG 1 -2.789 -9.046 1.422 11 HH11 ARG 1 1HH1 ARG 1 -5.011 -9.144 3.996 12 HH12 ARG 1 2HH1 ARG 1 -4.150 -10.026 2.657 13 HH21 ARG 1 1HH2 ARG 1 -4.698 -7.098 4.365 14 HH22 ARG 1 2HH2 ARG 1 -3.491 -6.193 3.291 15 H ALA 2 H ALA 2 1.354 -7.275 -2.839 16 HA ALA 2 HA ALA 2 3.781 -5.747 -1.736 17 HB1 ALA 2 1HB ALA 2 2.293 -5.561 -4.443 18 HB2 ALA 2 2HB ALA 2 3.776 -4.739 -3.958 19 HB3 ALA 2 3HB ALA 2 3.790 -6.505 -4.085 20 H CYS 3 H CYS 3 2.502 -5.004 0.082 21 HA CYS 3 HA CYS 3 1.660 -3.257 1.398 22 HB2 CYS 3 1HB CYS 3 3.453 -2.112 0.095 23 HB3 CYS 3 2HB CYS 3 2.237 -1.458 -1.022 24 H ARG 4 H ARG 4 0.188 -0.931 -0.045 25 HA ARG 4 HA ARG 4 -2.490 -2.253 -0.678 26 HB2 ARG 4 1HB ARG 4 -2.254 -0.114 1.537 27 HB3 ARG 4 2HB ARG 4 -3.729 -0.417 0.662 28 HG2 ARG 4 1HG ARG 4 -3.888 -2.731 1.436 29 HG3 ARG 4 2HG ARG 4 -2.326 -2.597 2.285 30 HD2 ARG 4 1HD ARG 4 -3.921 -2.334 4.024 31 HD3 ARG 4 2HD ARG 4 -3.281 -0.733 3.749 32 HE ARG 4 HE ARG 4 -5.749 -1.036 2.150 33 HH11 ARG 4 1HH1 ARG 4 -7.818 0.611 4.338 34 HH12 ARG 4 2HH1 ARG 4 -7.568 -0.204 2.704 35 HH21 ARG 4 1HH2 ARG 4 -6.302 0.556 5.765 36 HH22 ARG 4 2HH2 ARG 4 -4.729 -0.367 5.435 37 H PHE 5 H PHE 5 -1.024 0.997 -0.160 38 HA PHE 5 HA PHE 5 -1.081 1.439 -3.140 39 HB2 PHE 5 1HB PHE 5 -2.193 3.327 -3.418 40 HB3 PHE 5 2HB PHE 5 -3.185 2.548 -2.214 41 HD1 PHE 5 1HD PHE 5 -3.017 3.401 0.234 42 HD2 PHE 5 2HD PHE 5 -1.173 5.435 -2.999 43 HE1 PHE 5 1HE PHE 5 -2.769 5.450 1.658 44 HE2 PHE 5 2HE PHE 5 -0.993 7.472 -1.660 45 HZ PHE 5 HZ PHE 5 -1.791 7.486 0.706 46 H PHE 6 H PHE 6 0.004 3.226 -0.259 47 HA PHE 6 HA PHE 6 2.862 3.071 -1.390 48 HB2 PHE 6 1HB PHE 6 1.769 5.227 -1.877 49 HB3 PHE 6 2HB PHE 6 1.306 5.483 -0.216 50 HD1 PHE 6 1HD PHE 6 4.181 5.561 -2.649 51 HD2 PHE 6 2HD PHE 6 2.869 6.390 1.380 52 HE1 PHE 6 1HE PHE 6 6.257 6.779 -2.227 53 HE2 PHE 6 2HE PHE 6 4.920 7.740 1.759 54 HZ PHE 6 HZ PHE 6 6.691 7.803 0.007 55 H CYS 7 H CYS 7 4.061 1.880 -0.054 56 HA CYS 7 HA CYS 7 3.910 2.216 3.005 57 HB2 CYS 7 1HB CYS 7 5.368 0.122 1.193 58 HB3 CYS 7 2HB CYS 7 5.666 0.334 2.925 Start of MODEL 5 1 H2 ARG 1 2H ARG 1 1.797 -10.280 -1.765 2 H ARG 1 1H ARG 1 0.460 -10.892 -1.071 3 HA ARG 1 HA ARG 1 0.076 -8.646 -1.776 4 HB2 ARG 1 1HB ARG 1 -0.965 -9.679 0.386 5 HB3 ARG 1 2HB ARG 1 0.270 -8.904 1.301 6 HG2 ARG 1 1HG ARG 1 -0.534 -6.630 0.313 7 HG3 ARG 1 2HG ARG 1 -1.833 -7.490 -0.511 8 HD2 ARG 1 1HD ARG 1 -1.429 -7.507 2.561 9 HD3 ARG 1 2HD ARG 1 -2.519 -6.359 1.610 10 HE ARG 1 HE ARG 1 -3.296 -9.052 0.843 11 HH11 ARG 1 1HH1 ARG 1 -5.742 -9.560 3.096 12 HH12 ARG 1 2HH1 ARG 1 -4.966 -10.047 1.533 13 HH21 ARG 1 1HH2 ARG 1 -4.986 -8.017 4.283 14 HH22 ARG 1 2HH2 ARG 1 -3.503 -7.093 3.734 15 H ALA 2 H ALA 2 1.513 -7.288 -2.743 16 HA ALA 2 HA ALA 2 3.867 -6.141 -1.225 17 HB1 ALA 2 1HB ALA 2 2.987 -5.761 -4.205 18 HB2 ALA 2 2HB ALA 2 4.476 -5.207 -3.408 19 HB3 ALA 2 3HB ALA 2 4.167 -6.947 -3.584 20 H CYS 3 H CYS 3 2.553 -4.918 0.294 21 HA CYS 3 HA CYS 3 1.749 -2.930 1.242 22 HB2 CYS 3 1HB CYS 3 3.433 -1.854 -0.430 23 HB3 CYS 3 2HB CYS 3 2.078 -1.531 -1.470 24 H ARG 4 H ARG 4 0.182 -1.061 0.617 25 HA ARG 4 HA ARG 4 -2.481 -2.189 -0.488 26 HB2 ARG 4 1HB ARG 4 -2.110 0.011 1.593 27 HB3 ARG 4 2HB ARG 4 -3.618 -0.271 0.755 28 HG2 ARG 4 1HG ARG 4 -3.902 -2.447 1.687 29 HG3 ARG 4 2HG ARG 4 -2.286 -2.486 2.427 30 HD2 ARG 4 1HD ARG 4 -3.821 -2.072 4.198 31 HD3 ARG 4 2HD ARG 4 -3.015 -0.487 3.901 32 HE ARG 4 HE ARG 4 -5.481 -0.600 2.274 33 HH11 ARG 4 1HH1 ARG 4 -7.509 1.027 4.504 34 HH12 ARG 4 2HH1 ARG 4 -7.204 0.396 2.819 35 HH21 ARG 4 1HH2 ARG 4 -5.996 0.658 6.042 36 HH22 ARG 4 2HH2 ARG 4 -4.500 -0.282 5.593 37 H PHE 5 H PHE 5 -0.793 0.987 -0.158 38 HA PHE 5 HA PHE 5 -1.048 1.454 -3.114 39 HB2 PHE 5 1HB PHE 5 -2.117 3.756 -2.902 40 HB3 PHE 5 2HB PHE 5 -3.148 2.380 -2.437 41 HD1 PHE 5 1HD PHE 5 -3.820 1.975 -0.077 42 HD2 PHE 5 2HD PHE 5 -1.632 5.505 -1.222 43 HE1 PHE 5 1HE PHE 5 -4.339 3.028 2.133 44 HE2 PHE 5 2HE PHE 5 -2.225 6.546 0.942 45 HZ PHE 5 HZ PHE 5 -3.554 5.304 2.578 46 H PHE 6 H PHE 6 -0.185 3.587 -0.356 47 HA PHE 6 HA PHE 6 2.698 3.699 -1.348 48 HB2 PHE 6 1HB PHE 6 1.373 5.731 -1.278 49 HB3 PHE 6 2HB PHE 6 1.098 5.598 0.443 50 HD1 PHE 6 1HD PHE 6 3.690 6.455 -2.162 51 HD2 PHE 6 2HD PHE 6 2.972 5.933 2.053 52 HE1 PHE 6 1HE PHE 6 5.836 7.545 -1.652 53 HE2 PHE 6 2HE PHE 6 5.092 7.055 2.547 54 HZ PHE 6 HZ PHE 6 6.529 7.905 0.728 55 H CYS 7 H CYS 7 4.290 2.918 -0.124 56 HA CYS 7 HA CYS 7 3.917 2.325 2.835 57 HB2 CYS 7 1HB CYS 7 5.183 0.358 0.817 58 HB3 CYS 7 2HB CYS 7 5.541 0.333 2.603 Start of MODEL 6 1 H2 ARG 1 2H ARG 1 1.852 -10.071 -1.894 2 H ARG 1 1H ARG 1 0.675 -10.800 -1.050 3 HA ARG 1 HA ARG 1 0.080 -8.571 -1.731 4 HB2 ARG 1 1HB ARG 1 -0.823 -9.696 0.350 5 HB3 ARG 1 2HB ARG 1 0.335 -8.858 1.334 6 HG2 ARG 1 1HG ARG 1 -0.531 -6.619 0.642 7 HG3 ARG 1 2HG ARG 1 -1.653 -7.309 -0.502 8 HD2 ARG 1 1HD ARG 1 -1.603 -7.831 2.601 9 HD3 ARG 1 2HD ARG 1 -2.579 -6.561 1.794 10 HE ARG 1 HE ARG 1 -3.211 -9.151 0.586 11 HH11 ARG 1 1HH1 ARG 1 -5.918 -9.870 2.468 12 HH12 ARG 1 2HH1 ARG 1 -4.912 -10.272 1.002 13 HH21 ARG 1 1HH2 ARG 1 -5.359 -8.451 3.836 14 HH22 ARG 1 2HH2 ARG 1 -3.848 -7.426 3.569 15 H ALA 2 H ALA 2 1.672 -7.378 -2.795 16 HA ALA 2 HA ALA 2 3.846 -5.896 -1.376 17 HB1 ALA 2 1HB ALA 2 2.797 -5.804 -4.306 18 HB2 ALA 2 2HB ALA 2 4.267 -5.037 -3.723 19 HB3 ALA 2 3HB ALA 2 4.114 -6.825 -3.688 20 H CYS 3 H CYS 3 2.273 -5.025 0.255 21 HA CYS 3 HA CYS 3 1.460 -3.148 1.312 22 HB2 CYS 3 1HB CYS 3 3.403 -1.925 0.026 23 HB3 CYS 3 2HB CYS 3 2.154 -1.355 -1.115 24 H ARG 4 H ARG 4 -0.023 -1.161 0.968 25 HA ARG 4 HA ARG 4 -2.713 -2.036 -0.259 26 HB2 ARG 4 1HB ARG 4 -2.054 0.216 1.722 27 HB3 ARG 4 2HB ARG 4 -3.585 0.090 0.875 28 HG2 ARG 4 1HG ARG 4 -3.886 -2.278 1.953 29 HG3 ARG 4 2HG ARG 4 -2.356 -2.006 2.797 30 HD2 ARG 4 1HD ARG 4 -4.194 -1.488 4.309 31 HD3 ARG 4 2HD ARG 4 -3.331 -0.023 3.997 32 HE ARG 4 HE ARG 4 -5.566 -0.207 2.062 33 HH11 ARG 4 1HH1 ARG 4 -7.860 1.561 3.625 34 HH12 ARG 4 2HH1 ARG 4 -7.235 0.769 2.156 35 HH21 ARG 4 1HH2 ARG 4 -6.708 1.352 5.501 36 HH22 ARG 4 2HH2 ARG 4 -5.128 0.390 5.463 37 H PHE 5 H PHE 5 -0.825 0.973 -0.155 38 HA PHE 5 HA PHE 5 -0.830 1.188 -3.152 39 HB2 PHE 5 1HB PHE 5 -1.842 3.326 -3.393 40 HB3 PHE 5 2HB PHE 5 -2.953 2.152 -2.800 41 HD1 PHE 5 1HD PHE 5 -3.799 2.216 -0.470 42 HD2 PHE 5 2HD PHE 5 -1.387 5.357 -2.101 43 HE1 PHE 5 1HE PHE 5 -4.588 3.720 1.370 44 HE2 PHE 5 2HE PHE 5 -2.198 6.905 -0.300 45 HZ PHE 5 HZ PHE 5 -3.799 6.076 1.397 46 H PHE 6 H PHE 6 -0.050 3.189 -0.300 47 HA PHE 6 HA PHE 6 2.828 3.422 -1.352 48 HB2 PHE 6 1HB PHE 6 1.644 5.516 -1.513 49 HB3 PHE 6 2HB PHE 6 1.269 5.517 0.172 50 HD1 PHE 6 1HD PHE 6 3.986 5.848 -2.398 51 HD2 PHE 6 2HD PHE 6 3.195 6.041 1.824 52 HE1 PHE 6 1HE PHE 6 6.147 6.872 -2.093 53 HE2 PHE 6 2HE PHE 6 5.434 6.968 2.179 54 HZ PHE 6 HZ PHE 6 6.930 7.396 0.222 55 H CYS 7 H CYS 7 4.283 2.638 -0.134 56 HA CYS 7 HA CYS 7 3.901 2.350 2.914 57 HB2 CYS 7 1HB CYS 7 5.175 0.281 1.030 58 HB3 CYS 7 2HB CYS 7 5.574 0.390 2.708 Start of MODEL 7 1 H2 ARG 1 2H ARG 1 2.424 -10.250 -1.139 2 H ARG 1 1H ARG 1 1.153 -11.021 -0.451 3 HA ARG 1 HA ARG 1 0.375 -9.132 -1.488 4 HB2 ARG 1 1HB ARG 1 -0.629 -9.830 0.699 5 HB3 ARG 1 2HB ARG 1 0.445 -8.741 1.572 6 HG2 ARG 1 1HG ARG 1 -0.622 -6.767 0.259 7 HG3 ARG 1 2HG ARG 1 -1.576 -7.875 -0.711 8 HD2 ARG 1 1HD ARG 1 -1.820 -7.640 2.361 9 HD3 ARG 1 2HD ARG 1 -2.805 -6.712 1.267 10 HE ARG 1 HE ARG 1 -2.978 -9.656 0.684 11 HH11 ARG 1 1HH1 ARG 1 -5.991 -10.036 2.212 12 HH12 ARG 1 2HH1 ARG 1 -4.743 -10.673 1.044 13 HH21 ARG 1 1HH2 ARG 1 -5.772 -8.166 3.181 14 HH22 ARG 1 2HH2 ARG 1 -4.235 -7.223 2.976 15 H ALA 2 H ALA 2 1.315 -7.578 -2.641 16 HA ALA 2 HA ALA 2 3.673 -6.044 -1.571 17 HB1 ALA 2 1HB ALA 2 2.518 -6.118 -4.398 18 HB2 ALA 2 2HB ALA 2 4.036 -5.400 -3.913 19 HB3 ALA 2 3HB ALA 2 3.832 -7.186 -3.851 20 H CYS 3 H CYS 3 2.358 -4.942 -0.061 21 HA CYS 3 HA CYS 3 1.566 -2.973 0.836 22 HB2 CYS 3 1HB CYS 3 3.412 -2.051 -0.585 23 HB3 CYS 3 2HB CYS 3 2.253 -1.711 -1.853 24 H ARG 4 H ARG 4 -0.107 -1.577 1.079 25 HA ARG 4 HA ARG 4 -2.739 -1.983 -0.394 26 HB2 ARG 4 1HB ARG 4 -1.865 -0.012 1.818 27 HB3 ARG 4 2HB ARG 4 -3.430 0.189 1.048 28 HG2 ARG 4 1HG ARG 4 -4.001 -2.260 1.827 29 HG3 ARG 4 2HG ARG 4 -2.449 -2.273 2.631 30 HD2 ARG 4 1HD ARG 4 -4.002 -1.726 4.369 31 HD3 ARG 4 2HD ARG 4 -3.082 -0.244 4.031 32 HE ARG 4 HE ARG 4 -5.514 -0.246 2.361 33 HH11 ARG 4 1HH1 ARG 4 -7.053 2.122 4.344 34 HH12 ARG 4 2HH1 ARG 4 -6.955 1.273 2.724 35 HH21 ARG 4 1HH2 ARG 4 -5.795 1.488 5.948 36 HH22 ARG 4 2HH2 ARG 4 -4.555 0.171 5.686 37 H PHE 5 H PHE 5 -0.713 0.924 -0.062 38 HA PHE 5 HA PHE 5 -0.775 1.319 -3.020 39 HB2 PHE 5 1HB PHE 5 -1.886 3.371 -3.324 40 HB3 PHE 5 2HB PHE 5 -2.972 2.378 -2.432 41 HD1 PHE 5 1HD PHE 5 -3.288 2.769 0.111 42 HD2 PHE 5 2HD PHE 5 -1.464 5.630 -2.461 43 HE1 PHE 5 1HE PHE 5 -3.658 4.514 1.837 44 HE2 PHE 5 2HE PHE 5 -1.787 7.406 -0.741 45 HZ PHE 5 HZ PHE 5 -2.847 6.832 1.383 46 H PHE 6 H PHE 6 -0.047 3.476 -0.176 47 HA PHE 6 HA PHE 6 2.819 3.760 -1.281 48 HB2 PHE 6 1HB PHE 6 1.351 5.870 -1.319 49 HB3 PHE 6 2HB PHE 6 1.219 5.791 0.400 50 HD1 PHE 6 1HD PHE 6 3.542 6.412 -2.433 51 HD2 PHE 6 2HD PHE 6 3.143 6.473 1.836 52 HE1 PHE 6 1HE PHE 6 5.699 7.561 -2.264 53 HE2 PHE 6 2HE PHE 6 5.310 7.599 1.983 54 HZ PHE 6 HZ PHE 6 6.577 8.210 -0.069 55 H CYS 7 H CYS 7 4.243 2.650 -0.061 56 HA CYS 7 HA CYS 7 3.894 2.385 2.995 57 HB2 CYS 7 1HB CYS 7 4.923 0.201 0.988 58 HB3 CYS 7 2HB CYS 7 4.942 0.063 2.742 Start of MODEL 8 1 H2 ARG 1 2H ARG 1 2.122 -10.181 -1.296 2 H ARG 1 1H ARG 1 0.859 -10.763 -0.493 3 HA ARG 1 HA ARG 1 0.252 -8.844 -1.714 4 HB2 ARG 1 1HB ARG 1 -0.862 -9.335 0.433 5 HB3 ARG 1 2HB ARG 1 0.303 -8.355 1.343 6 HG2 ARG 1 1HG ARG 1 -0.392 -6.295 0.197 7 HG3 ARG 1 2HG ARG 1 -1.544 -7.104 -0.845 8 HD2 ARG 1 1HD ARG 1 -1.695 -7.011 2.285 9 HD3 ARG 1 2HD ARG 1 -2.590 -5.962 1.196 10 HE ARG 1 HE ARG 1 -3.235 -8.687 0.388 11 HH11 ARG 1 1HH1 ARG 1 -5.951 -9.158 2.320 12 HH12 ARG 1 2HH1 ARG 1 -4.941 -9.670 0.871 13 HH21 ARG 1 1HH2 ARG 1 -5.355 -7.622 3.576 14 HH22 ARG 1 2HH2 ARG 1 -3.839 -6.693 3.214 15 H ALA 2 H ALA 2 1.327 -7.203 -2.801 16 HA ALA 2 HA ALA 2 3.780 -5.823 -1.695 17 HB1 ALA 2 1HB ALA 2 2.368 -5.728 -4.418 18 HB2 ALA 2 2HB ALA 2 3.856 -4.896 -4.054 19 HB3 ALA 2 3HB ALA 2 3.852 -6.646 -4.022 20 H CYS 3 H CYS 3 2.502 -4.858 0.053 21 HA CYS 3 HA CYS 3 1.592 -2.994 1.173 22 HB2 CYS 3 1HB CYS 3 3.375 -1.814 -0.362 23 HB3 CYS 3 2HB CYS 3 2.069 -1.411 -1.431 24 H ARG 4 H ARG 4 -0.126 -1.216 1.118 25 HA ARG 4 HA ARG 4 -2.729 -2.121 -0.246 26 HB2 ARG 4 1HB ARG 4 -2.354 0.224 1.619 27 HB3 ARG 4 2HB ARG 4 -3.817 -0.132 0.774 28 HG2 ARG 4 1HG ARG 4 -3.992 -2.373 1.981 29 HG3 ARG 4 2HG ARG 4 -2.483 -2.105 2.761 30 HD2 ARG 4 1HD ARG 4 -4.034 -1.567 4.449 31 HD3 ARG 4 2HD ARG 4 -3.291 -0.057 3.907 32 HE ARG 4 HE ARG 4 -5.824 -0.620 2.443 33 HH11 ARG 4 1HH1 ARG 4 -7.726 1.613 4.246 34 HH12 ARG 4 2HH1 ARG 4 -7.544 0.512 2.803 35 HH21 ARG 4 1HH2 ARG 4 -6.053 1.826 5.597 36 HH22 ARG 4 2HH2 ARG 4 -4.543 0.881 5.306 37 H PHE 5 H PHE 5 -0.634 0.771 -0.207 38 HA PHE 5 HA PHE 5 -0.579 0.931 -3.145 39 HB2 PHE 5 1HB PHE 5 -1.497 3.216 -3.554 40 HB3 PHE 5 2HB PHE 5 -2.689 2.023 -3.170 41 HD1 PHE 5 1HD PHE 5 -3.892 2.224 -0.865 42 HD2 PHE 5 2HD PHE 5 -1.123 5.166 -2.257 43 HE1 PHE 5 1HE PHE 5 -4.641 3.813 0.926 44 HE2 PHE 5 2HE PHE 5 -1.881 6.714 -0.494 45 HZ PHE 5 HZ PHE 5 -3.551 5.987 1.133 46 H PHE 6 H PHE 6 -0.065 3.250 -0.412 47 HA PHE 6 HA PHE 6 2.831 3.465 -1.339 48 HB2 PHE 6 1HB PHE 6 1.412 5.479 -1.575 49 HB3 PHE 6 2HB PHE 6 1.141 5.537 0.151 50 HD1 PHE 6 1HD PHE 6 3.674 5.799 -2.615 51 HD2 PHE 6 2HD PHE 6 3.002 6.401 1.569 52 HE1 PHE 6 1HE PHE 6 5.867 6.910 -2.419 53 HE2 PHE 6 2HE PHE 6 5.245 7.335 1.803 54 HZ PHE 6 HZ PHE 6 6.703 7.609 -0.221 55 H CYS 7 H CYS 7 4.137 2.368 -0.116 56 HA CYS 7 HA CYS 7 3.814 2.424 2.952 57 HB2 CYS 7 1HB CYS 7 4.944 0.253 1.021 58 HB3 CYS 7 2HB CYS 7 5.228 0.191 2.773 Start of MODEL 9 1 H2 ARG 1 2H ARG 1 1.949 -10.166 -1.286 2 H ARG 1 1H ARG 1 0.573 -10.749 -0.621 3 HA ARG 1 HA ARG 1 0.071 -8.728 -1.741 4 HB2 ARG 1 1HB ARG 1 -1.169 -9.378 0.295 5 HB3 ARG 1 2HB ARG 1 -0.006 -8.519 1.322 6 HG2 ARG 1 1HG ARG 1 -0.743 -6.328 0.377 7 HG3 ARG 1 2HG ARG 1 -1.728 -7.078 -0.892 8 HD2 ARG 1 1HD ARG 1 -2.326 -7.288 2.169 9 HD3 ARG 1 2HD ARG 1 -3.050 -6.165 1.048 10 HE ARG 1 HE ARG 1 -3.679 -8.471 -0.241 11 HH11 ARG 1 1HH1 ARG 1 -6.173 -9.926 1.603 12 HH12 ARG 1 2HH1 ARG 1 -5.358 -9.815 -0.006 13 HH21 ARG 1 1HH2 ARG 1 -5.535 -8.770 3.253 14 HH22 ARG 1 2HH2 ARG 1 -4.235 -7.520 3.019 15 H ALA 2 H ALA 2 1.501 -7.474 -2.799 16 HA ALA 2 HA ALA 2 3.754 -6.042 -1.407 17 HB1 ALA 2 1HB ALA 2 2.821 -5.867 -4.408 18 HB2 ALA 2 2HB ALA 2 4.309 -5.150 -3.736 19 HB3 ALA 2 3HB ALA 2 4.107 -6.909 -3.758 20 H CYS 3 H CYS 3 2.357 -4.965 0.053 21 HA CYS 3 HA CYS 3 1.807 -2.979 1.042 22 HB2 CYS 3 1HB CYS 3 3.436 -1.783 -0.578 23 HB3 CYS 3 2HB CYS 3 2.044 -1.451 -1.647 24 H ARG 4 H ARG 4 0.008 -1.278 1.004 25 HA ARG 4 HA ARG 4 -2.582 -2.231 -0.318 26 HB2 ARG 4 1HB ARG 4 -2.137 0.175 1.576 27 HB3 ARG 4 2HB ARG 4 -3.606 -0.186 0.755 28 HG2 ARG 4 1HG ARG 4 -3.789 -2.422 1.950 29 HG3 ARG 4 2HG ARG 4 -2.324 -2.031 2.807 30 HD2 ARG 4 1HD ARG 4 -4.064 -1.576 4.305 31 HD3 ARG 4 2HD ARG 4 -3.597 0.057 3.810 32 HE ARG 4 HE ARG 4 -5.711 -0.919 2.016 33 HH11 ARG 4 1HH1 ARG 4 -8.378 0.405 3.590 34 HH12 ARG 4 2HH1 ARG 4 -7.592 -0.318 2.065 35 HH21 ARG 4 1HH2 ARG 4 -7.163 0.680 5.369 36 HH22 ARG 4 2HH2 ARG 4 -5.412 0.181 5.270 37 H PHE 5 H PHE 5 -0.591 0.758 -0.166 38 HA PHE 5 HA PHE 5 -0.546 1.059 -3.071 39 HB2 PHE 5 1HB PHE 5 -1.725 3.116 -3.516 40 HB3 PHE 5 2HB PHE 5 -2.808 1.858 -2.965 41 HD1 PHE 5 1HD PHE 5 -3.777 1.950 -0.617 42 HD2 PHE 5 2HD PHE 5 -1.399 5.156 -2.084 43 HE1 PHE 5 1HE PHE 5 -4.654 3.424 1.185 44 HE2 PHE 5 2HE PHE 5 -2.252 6.659 -0.322 45 HZ PHE 5 HZ PHE 5 -4.003 5.767 1.274 46 H PHE 6 H PHE 6 -0.162 3.162 -0.272 47 HA PHE 6 HA PHE 6 2.696 3.731 -1.236 48 HB2 PHE 6 1HB PHE 6 1.106 5.737 -1.230 49 HB3 PHE 6 2HB PHE 6 0.992 5.645 0.500 50 HD1 PHE 6 1HD PHE 6 3.353 6.231 -2.335 51 HD2 PHE 6 2HD PHE 6 2.926 6.421 1.965 52 HE1 PHE 6 1HE PHE 6 5.464 7.480 -2.130 53 HE2 PHE 6 2HE PHE 6 5.057 7.613 2.149 54 HZ PHE 6 HZ PHE 6 6.343 8.066 0.104 55 H CYS 7 H CYS 7 4.028 2.536 -0.138 56 HA CYS 7 HA CYS 7 3.816 2.296 2.957 57 HB2 CYS 7 1HB CYS 7 5.005 0.354 0.854 58 HB3 CYS 7 2HB CYS 7 5.248 0.224 2.579 Start of MODEL 10 1 H2 ARG 1 2H ARG 1 2.570 -10.313 -0.765 2 H ARG 1 1H ARG 1 1.168 -10.956 -0.136 3 HA ARG 1 HA ARG 1 0.588 -9.196 -1.645 4 HB2 ARG 1 1HB ARG 1 -0.662 -9.586 0.530 5 HB3 ARG 1 2HB ARG 1 0.248 -8.332 1.326 6 HG2 ARG 1 1HG ARG 1 -0.710 -6.643 -0.358 7 HG3 ARG 1 2HG ARG 1 -1.643 -7.906 -1.155 8 HD2 ARG 1 1HD ARG 1 -1.980 -7.114 1.874 9 HD3 ARG 1 2HD ARG 1 -2.922 -6.352 0.512 10 HE ARG 1 HE ARG 1 -3.131 -9.311 0.258 11 HH11 ARG 1 1HH1 ARG 1 -5.943 -9.719 2.067 12 HH12 ARG 1 2HH1 ARG 1 -4.824 -10.316 0.730 13 HH21 ARG 1 1HH2 ARG 1 -5.682 -7.789 2.902 14 HH22 ARG 1 2HH2 ARG 1 -4.227 -6.803 2.426 15 H ALA 2 H ALA 2 1.492 -7.591 -2.745 16 HA ALA 2 HA ALA 2 3.773 -5.838 -1.722 17 HB1 ALA 2 1HB ALA 2 2.447 -5.985 -4.528 18 HB2 ALA 2 2HB ALA 2 3.928 -5.127 -4.084 19 HB3 ALA 2 3HB ALA 2 3.907 -6.852 -3.997 20 H CYS 3 H CYS 3 2.271 -4.932 -0.105 21 HA CYS 3 HA CYS 3 1.614 -3.029 0.912 22 HB2 CYS 3 1HB CYS 3 3.316 -1.921 -0.505 23 HB3 CYS 3 2HB CYS 3 2.114 -1.479 -1.705 24 H ARG 4 H ARG 4 -0.071 -1.346 1.139 25 HA ARG 4 HA ARG 4 -2.767 -1.917 -0.104 26 HB2 ARG 4 1HB ARG 4 -1.955 0.391 1.806 27 HB3 ARG 4 2HB ARG 4 -3.532 0.155 1.084 28 HG2 ARG 4 1HG ARG 4 -3.904 -2.017 2.255 29 HG3 ARG 4 2HG ARG 4 -2.293 -1.957 2.910 30 HD2 ARG 4 1HD ARG 4 -3.806 -1.110 4.622 31 HD3 ARG 4 2HD ARG 4 -2.894 0.282 4.046 32 HE ARG 4 HE ARG 4 -5.532 -0.108 2.634 33 HH11 ARG 4 1HH1 ARG 4 -7.276 2.221 4.397 34 HH12 ARG 4 2HH1 ARG 4 -7.143 1.125 2.951 35 HH21 ARG 4 1HH2 ARG 4 -5.678 2.286 5.812 36 HH22 ARG 4 2HH2 ARG 4 -4.193 1.284 5.578 37 H PHE 5 H PHE 5 -0.496 0.846 -0.169 38 HA PHE 5 HA PHE 5 -0.690 1.199 -3.023 39 HB2 PHE 5 1HB PHE 5 -1.723 3.434 -3.346 40 HB3 PHE 5 2HB PHE 5 -2.890 2.354 -2.683 41 HD1 PHE 5 1HD PHE 5 -3.235 2.552 0.018 42 HD2 PHE 5 2HD PHE 5 -1.497 5.630 -2.416 43 HE1 PHE 5 1HE PHE 5 -3.877 4.282 1.714 44 HE2 PHE 5 2HE PHE 5 -2.158 7.334 -0.735 45 HZ PHE 5 HZ PHE 5 -3.308 6.625 1.321 46 H PHE 6 H PHE 6 0.022 3.647 -0.495 47 HA PHE 6 HA PHE 6 2.982 3.481 -1.342 48 HB2 PHE 6 1HB PHE 6 1.797 5.642 -1.710 49 HB3 PHE 6 2HB PHE 6 1.359 5.682 0.007 50 HD1 PHE 6 1HD PHE 6 4.337 5.764 -2.390 51 HD2 PHE 6 2HD PHE 6 2.916 6.610 1.617 52 HE1 PHE 6 1HE PHE 6 6.442 6.879 -1.857 53 HE2 PHE 6 2HE PHE 6 4.985 7.869 2.079 54 HZ PHE 6 HZ PHE 6 6.748 7.977 0.360 55 H CYS 7 H CYS 7 3.926 2.061 -0.120 56 HA CYS 7 HA CYS 7 3.677 2.196 2.931 57 HB2 CYS 7 1HB CYS 7 4.982 0.016 1.122 58 HB3 CYS 7 2HB CYS 7 5.100 0.056 2.871
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