NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
634636 | 6hvb | 34319 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ASP 4 1H ASP 4 -0.207 -8.473 0.549 2 H2 ASP 4 2H ASP 4 -0.679 -7.555 1.750 3 H3 ASP 4 3H ASP 4 -1.571 -8.947 1.503 4 HA ASP 4 HA ASP 4 -2.283 -8.087 -0.703 5 HB2 ASP 4 1HB ASP 4 -3.201 -6.693 1.910 6 HB3 ASP 4 2HB ASP 4 -4.096 -6.659 0.403 7 H CYS 5 H CYS 5 -2.631 -6.246 -2.041 8 HA CYS 5 HA CYS 5 -0.577 -4.048 -1.670 9 HB2 CYS 5 1HB CYS 5 -1.993 -5.020 -4.211 10 HB3 CYS 5 2HB CYS 5 -0.820 -3.694 -4.113 11 H PHE 6 H PHE 6 -1.026 -2.031 -1.461 12 HA PHE 6 HA PHE 6 -3.740 -0.818 -1.811 13 HB2 PHE 6 1HB PHE 6 -4.166 -0.383 0.525 14 HB3 PHE 6 2HB PHE 6 -4.055 -2.090 0.271 15 HD1 PHE 6 1HD PHE 6 -2.643 0.772 2.091 16 HD2 PHE 6 2HD PHE 6 -2.004 -3.369 1.143 17 HE1 PHE 6 1HE PHE 6 -1.013 0.594 3.934 18 HE2 PHE 6 2HE PHE 6 -0.365 -3.533 2.970 19 HZ PHE 6 HZ PHE 6 0.134 -1.551 4.371 20 HA E9M 7 HA NMW 7 -2.419 3.774 -1.891 21 HD1 E9M 7 HD NMW 7 -1.159 5.915 -1.191 22 HB3 E9M 7 2HB NMW 7 -1.232 2.513 0.627 23 HB2 E9M 7 1HB NMW 7 -2.840 3.129 0.510 24 HE3 E9M 7 3HE NMW 7 -1.486 3.182 3.104 25 HE1 E9M 7 1HE NMW 7 -0.433 7.853 0.464 26 HZ3 E9M 7 3HZ NMW 7 -0.827 4.232 5.247 27 HZ2 E9M 7 2HZ NMW 7 0.132 7.916 3.254 28 HH2 E9M 7 HH NMW 7 -0.028 6.559 5.323 29 HN3 E9M 7 3H NMW 7 -3.987 1.075 -3.158 30 HN1 E9M 7 1H NMW 7 -4.725 1.375 -1.553 31 HN2 E9M 7 2H NMW 7 -4.222 2.728 -2.580 32 H LYS 8 H LYS 8 0.485 3.341 -0.523 33 HA LYS 8 HA LYS 8 2.018 3.021 -3.153 34 HB2 LYS 8 1HB LYS 8 3.857 4.109 -2.030 35 HB3 LYS 8 2HB LYS 8 2.428 5.099 -1.880 36 HG2 LYS 8 1HG LYS 8 2.161 4.210 0.562 37 HG3 LYS 8 2HG LYS 8 3.622 3.287 0.328 38 HD2 LYS 8 1HD LYS 8 4.347 5.165 1.513 39 HD3 LYS 8 2HD LYS 8 4.889 5.492 -0.130 40 HE2 LYS 8 1HE LYS 8 2.818 7.002 -0.472 41 HE3 LYS 8 2HE LYS 8 2.291 6.628 1.169 42 HZ1 LYS 8 1HZ LYS 8 3.624 8.739 1.127 43 HZ2 LYS 8 2HZ LYS 8 4.423 7.612 2.020 44 HZ3 LYS 8 3HZ LYS 8 4.927 7.954 0.499 45 H TYR 9 H TYR 9 0.951 0.856 -0.883 46 HA TYR 9 HA TYR 9 3.632 -0.568 -0.480 47 HB2 TYR 9 1HB TYR 9 0.964 -0.663 1.072 48 HB3 TYR 9 2HB TYR 9 2.370 -1.600 1.466 49 HD1 TYR 9 1HD TYR 9 0.751 1.601 1.948 50 HD2 TYR 9 2HD TYR 9 4.581 -0.345 2.130 51 HE1 TYR 9 1HE TYR 9 1.639 3.443 3.337 52 HE2 TYR 9 2HE TYR 9 5.447 1.499 3.506 53 HH TYR 9 HH TYR 9 4.936 3.384 4.601 54 H CYS 10 H CYS 10 3.897 -2.556 -1.336 55 HA CYS 10 HA CYS 10 1.476 -4.226 -2.144 56 HB2 CYS 10 1HB CYS 10 2.325 -2.816 -4.112 57 HB3 CYS 10 2HB CYS 10 3.770 -3.835 -4.125 58 H VAL 11 H VAL 11 1.856 -5.437 -0.293 59 HA VAL 11 HA VAL 11 3.422 -7.845 -0.922 60 HB VAL 11 HB VAL 11 5.237 -6.575 0.137 61 HG11 VAL 11 1HG1 VAL 11 5.337 -6.006 2.552 62 HG12 VAL 11 2HG1 VAL 11 4.007 -5.117 1.777 63 HG13 VAL 11 3HG1 VAL 11 3.652 -6.536 2.783 64 HG21 VAL 11 1HG2 VAL 11 6.005 -8.313 1.744 65 HG22 VAL 11 2HG2 VAL 11 4.344 -8.943 1.891 66 HG23 VAL 11 3HG2 VAL 11 5.212 -9.065 0.343 Start of MODEL 2 1 H1 ASP 4 1H ASP 4 -1.528 -8.900 1.597 2 H2 ASP 4 2H ASP 4 -0.168 -8.439 0.631 3 H3 ASP 4 3H ASP 4 -0.640 -7.500 1.818 4 HA ASP 4 HA ASP 4 -2.243 -8.080 -0.624 5 HB2 ASP 4 1HB ASP 4 -3.172 -6.655 1.968 6 HB3 ASP 4 2HB ASP 4 -4.068 -6.651 0.461 7 H CYS 5 H CYS 5 -2.616 -6.256 -1.982 8 HA CYS 5 HA CYS 5 -0.572 -4.041 -1.656 9 HB2 CYS 5 1HB CYS 5 -2.018 -5.042 -4.171 10 HB3 CYS 5 2HB CYS 5 -0.843 -3.716 -4.099 11 H PHE 6 H PHE 6 -1.030 -2.018 -1.486 12 HA PHE 6 HA PHE 6 -3.747 -0.822 -1.809 13 HB2 PHE 6 1HB PHE 6 -2.572 -1.231 0.982 14 HB3 PHE 6 2HB PHE 6 -3.959 -0.247 0.659 15 HD1 PHE 6 1HD PHE 6 -3.133 -3.250 2.081 16 HD2 PHE 6 2HD PHE 6 -5.793 -1.795 -0.962 17 HE1 PHE 6 1HE PHE 6 -4.581 -5.222 2.394 18 HE2 PHE 6 2HE PHE 6 -7.223 -3.773 -0.656 19 HZ PHE 6 HZ PHE 6 -6.621 -5.491 1.024 20 HA E9M 7 HA NMW 7 -2.410 3.767 -1.949 21 HD1 E9M 7 HD NMW 7 -1.192 5.934 -1.230 22 HB3 E9M 7 2HB NMW 7 -1.303 2.517 0.608 23 HB2 E9M 7 1HB NMW 7 -2.885 3.188 0.446 24 HE3 E9M 7 3HE NMW 7 -1.397 3.167 3.052 25 HE1 E9M 7 1HE NMW 7 -0.218 7.798 0.381 26 HZ3 E9M 7 3HZ NMW 7 -0.575 4.165 5.164 27 HZ2 E9M 7 2HZ NMW 7 0.434 7.826 3.149 28 HH2 E9M 7 HH NMW 7 0.331 6.454 5.214 29 HN3 E9M 7 3H NMW 7 -4.728 1.376 -1.581 30 HN1 E9M 7 1H NMW 7 -4.222 2.717 -2.620 31 HN2 E9M 7 2H NMW 7 -3.989 1.058 -3.181 32 H LYS 8 H LYS 8 0.457 3.387 -0.530 33 HA LYS 8 HA LYS 8 2.049 3.011 -3.116 34 HB2 LYS 8 1HB LYS 8 3.844 4.169 -1.969 35 HB3 LYS 8 2HB LYS 8 2.390 5.133 -1.912 36 HG2 LYS 8 1HG LYS 8 2.031 4.354 0.529 37 HG3 LYS 8 2HG LYS 8 3.546 3.465 0.430 38 HD2 LYS 8 1HD LYS 8 4.775 5.644 -0.045 39 HD3 LYS 8 2HD LYS 8 3.239 6.519 0.040 40 HE2 LYS 8 1HE LYS 8 2.919 5.707 2.457 41 HE3 LYS 8 2HE LYS 8 4.460 4.857 2.369 42 HZ1 LYS 8 1HZ LYS 8 5.576 7.049 1.915 43 HZ2 LYS 8 2HZ LYS 8 4.144 7.841 1.997 44 HZ3 LYS 8 3HZ LYS 8 4.763 7.126 3.343 45 H TYR 9 H TYR 9 0.944 0.851 -0.925 46 HA TYR 9 HA TYR 9 3.611 -0.592 -0.469 47 HB2 TYR 9 1HB TYR 9 0.896 -0.670 1.008 48 HB3 TYR 9 2HB TYR 9 2.240 -1.693 1.392 49 HD1 TYR 9 1HD TYR 9 0.848 1.661 1.821 50 HD2 TYR 9 2HD TYR 9 4.416 -0.685 2.322 51 HE1 TYR 9 1HE TYR 9 1.787 3.383 3.323 52 HE2 TYR 9 2HE TYR 9 5.333 1.036 3.817 53 HH TYR 9 HH TYR 9 4.872 2.921 4.961 54 H CYS 10 H CYS 10 3.878 -2.596 -1.300 55 HA CYS 10 HA CYS 10 1.474 -4.243 -2.153 56 HB2 CYS 10 1HB CYS 10 2.313 -2.844 -4.138 57 HB3 CYS 10 2HB CYS 10 3.753 -3.871 -4.154 58 H VAL 11 H VAL 11 1.877 -5.425 -0.285 59 HA VAL 11 HA VAL 11 3.436 -7.842 -0.897 60 HB VAL 11 HB VAL 11 5.265 -6.554 0.115 61 HG11 VAL 11 1HG1 VAL 11 3.718 -6.472 2.782 62 HG12 VAL 11 2HG1 VAL 11 5.401 -5.946 2.519 63 HG13 VAL 11 3HG1 VAL 11 4.059 -5.070 1.749 64 HG21 VAL 11 1HG2 VAL 11 6.057 -8.265 1.740 65 HG22 VAL 11 2HG2 VAL 11 4.399 -8.893 1.921 66 HG23 VAL 11 3HG2 VAL 11 5.245 -9.040 0.363 Start of MODEL 3 1 H1 ASP 4 1H ASP 4 -1.545 -8.364 2.104 2 H2 ASP 4 2H ASP 4 -0.824 -8.636 0.595 3 H3 ASP 4 3H ASP 4 -0.181 -7.530 1.552 4 HA ASP 4 HA ASP 4 -2.830 -7.439 0.136 5 HB2 ASP 4 1HB ASP 4 -2.139 -5.784 2.653 6 HB3 ASP 4 2HB ASP 4 -3.525 -5.505 1.617 7 H CYS 5 H CYS 5 -2.733 -6.090 -1.606 8 HA CYS 5 HA CYS 5 -0.538 -4.001 -1.750 9 HB2 CYS 5 1HB CYS 5 -2.150 -5.258 -4.018 10 HB3 CYS 5 2HB CYS 5 -0.984 -3.930 -4.181 11 H PHE 6 H PHE 6 -0.945 -1.997 -1.658 12 HA PHE 6 HA PHE 6 -3.743 -0.834 -1.474 13 HB2 PHE 6 1HB PHE 6 -3.556 -2.229 0.573 14 HB3 PHE 6 2HB PHE 6 -2.061 -1.459 1.027 15 HD1 PHE 6 1HD PHE 6 -2.123 0.559 2.364 16 HD2 PHE 6 2HD PHE 6 -5.729 -0.771 0.445 17 HE1 PHE 6 1HE PHE 6 -3.409 2.284 3.575 18 HE2 PHE 6 2HE PHE 6 -7.003 0.965 1.652 19 HZ PHE 6 HZ PHE 6 -5.844 2.495 3.211 20 HA E9M 7 HA NMW 7 -2.479 3.584 -2.410 21 HD1 E9M 7 HD NMW 7 -2.413 5.999 -1.816 22 HB3 E9M 7 2HB NMW 7 -1.718 2.795 0.432 23 HB2 E9M 7 1HB NMW 7 -3.311 3.174 -0.087 24 HE3 E9M 7 3HE NMW 7 -1.538 3.654 2.608 25 HE1 E9M 7 1HE NMW 7 -1.984 8.193 -0.394 26 HZ3 E9M 7 3HZ NMW 7 -1.129 5.021 4.646 27 HZ2 E9M 7 2HZ NMW 7 -1.378 8.648 2.348 28 HH2 E9M 7 HH NMW 7 -1.052 7.482 4.514 29 HN3 E9M 7 3H NMW 7 -3.491 0.382 -3.438 30 HN1 E9M 7 1H NMW 7 -4.549 1.292 -2.313 31 HN2 E9M 7 2H NMW 7 -3.655 2.130 -3.605 32 H LYS 8 H LYS 8 0.182 3.052 -0.367 33 HA LYS 8 HA LYS 8 2.177 3.482 -2.662 34 HB2 LYS 8 1HB LYS 8 2.502 3.702 0.407 35 HB3 LYS 8 2HB LYS 8 3.787 3.922 -0.748 36 HG2 LYS 8 1HG LYS 8 2.628 5.877 -1.790 37 HG3 LYS 8 2HG LYS 8 1.291 5.747 -0.675 38 HD2 LYS 8 1HD LYS 8 4.103 5.956 0.572 39 HD3 LYS 8 2HD LYS 8 3.537 7.336 -0.319 40 HE2 LYS 8 1HE LYS 8 2.992 7.728 2.003 41 HE3 LYS 8 2HE LYS 8 1.495 7.567 1.093 42 HZ1 LYS 8 1HZ LYS 8 2.715 5.343 2.780 43 HZ2 LYS 8 2HZ LYS 8 1.363 6.208 3.151 44 HZ3 LYS 8 3HZ LYS 8 1.371 5.195 1.867 45 H TYR 9 H TYR 9 0.888 0.837 -0.966 46 HA TYR 9 HA TYR 9 3.566 -0.590 -0.636 47 HB2 TYR 9 1HB TYR 9 0.880 -0.929 0.848 48 HB3 TYR 9 2HB TYR 9 2.387 -1.681 1.272 49 HD1 TYR 9 1HD TYR 9 0.281 1.091 1.969 50 HD2 TYR 9 2HD TYR 9 4.446 0.039 1.790 51 HE1 TYR 9 1HE TYR 9 0.847 3.064 3.330 52 HE2 TYR 9 2HE TYR 9 5.003 2.032 3.112 53 HH TYR 9 HH TYR 9 4.124 3.685 4.417 54 H CYS 10 H CYS 10 3.849 -2.684 -1.325 55 HA CYS 10 HA CYS 10 1.456 -4.336 -2.137 56 HB2 CYS 10 1HB CYS 10 2.309 -3.063 -4.212 57 HB3 CYS 10 2HB CYS 10 3.713 -4.135 -4.175 58 H VAL 11 H VAL 11 1.874 -5.333 -0.161 59 HA VAL 11 HA VAL 11 3.584 -7.755 -0.512 60 HB VAL 11 HB VAL 11 4.388 -7.711 1.882 61 HG11 VAL 11 1HG1 VAL 11 5.768 -5.650 0.058 62 HG12 VAL 11 2HG1 VAL 11 6.519 -6.535 1.410 63 HG13 VAL 11 3HG1 VAL 11 5.971 -7.411 -0.035 64 HG21 VAL 11 1HG2 VAL 11 4.874 -5.579 3.069 65 HG22 VAL 11 2HG2 VAL 11 4.032 -4.646 1.802 66 HG23 VAL 11 3HG2 VAL 11 3.124 -5.768 2.839 Start of MODEL 4 1 H1 ASP 4 1H ASP 4 -0.521 -8.085 1.009 2 H2 ASP 4 2H ASP 4 -0.781 -7.024 2.124 3 H3 ASP 4 3H ASP 4 -1.817 -8.336 2.135 4 HA ASP 4 HA ASP 4 -2.717 -7.642 -0.063 5 HB2 ASP 4 1HB ASP 4 -3.138 -5.854 2.433 6 HB3 ASP 4 2HB ASP 4 -4.199 -5.868 1.038 7 H CYS 5 H CYS 5 -2.532 -6.268 -1.800 8 HA CYS 5 HA CYS 5 -0.540 -4.032 -1.679 9 HB2 CYS 5 1HB CYS 5 -2.075 -5.179 -4.070 10 HB3 CYS 5 2HB CYS 5 -0.882 -3.868 -4.135 11 H PHE 6 H PHE 6 -0.933 -1.997 -1.651 12 HA PHE 6 HA PHE 6 -3.740 -0.851 -1.437 13 HB2 PHE 6 1HB PHE 6 -3.506 -2.268 0.595 14 HB3 PHE 6 2HB PHE 6 -2.015 -1.484 1.035 15 HD1 PHE 6 1HD PHE 6 -2.064 0.589 2.307 16 HD2 PHE 6 2HD PHE 6 -5.710 -0.897 0.588 17 HE1 PHE 6 1HE PHE 6 -3.348 2.302 3.538 18 HE2 PHE 6 2HE PHE 6 -6.982 0.819 1.821 19 HZ PHE 6 HZ PHE 6 -5.805 2.423 3.289 20 HA E9M 7 HA NMW 7 -2.454 3.564 -2.423 21 HD1 E9M 7 HD NMW 7 -2.448 5.990 -1.824 22 HB3 E9M 7 2HB NMW 7 -1.721 2.792 0.431 23 HB2 E9M 7 1HB NMW 7 -3.303 3.203 -0.098 24 HE3 E9M 7 3HE NMW 7 -1.372 3.666 2.577 25 HE1 E9M 7 1HE NMW 7 -1.844 8.185 -0.464 26 HZ3 E9M 7 3HZ NMW 7 -0.723 5.038 4.540 27 HZ2 E9M 7 2HZ NMW 7 -1.022 8.646 2.217 28 HH2 E9M 7 HH NMW 7 -0.560 7.492 4.366 29 HN3 E9M 7 3H NMW 7 -4.558 1.275 -2.259 30 HN1 E9M 7 1H NMW 7 -3.690 2.120 -3.562 31 HN2 E9M 7 2H NMW 7 -3.515 0.373 -3.405 32 H LYS 8 H LYS 8 0.195 3.225 -0.374 33 HA LYS 8 HA LYS 8 2.208 3.516 -2.650 34 HB2 LYS 8 1HB LYS 8 2.536 3.585 0.419 35 HB3 LYS 8 2HB LYS 8 3.818 3.882 -0.726 36 HG2 LYS 8 1HG LYS 8 2.672 5.920 -1.612 37 HG3 LYS 8 2HG LYS 8 1.318 5.691 -0.527 38 HD2 LYS 8 1HD LYS 8 4.240 6.166 0.382 39 HD3 LYS 8 2HD LYS 8 3.013 7.418 0.220 40 HE2 LYS 8 1HE LYS 8 1.551 6.203 1.952 41 HE3 LYS 8 2HE LYS 8 2.823 5.008 2.171 42 HZ1 LYS 8 1HZ LYS 8 4.365 6.865 2.833 43 HZ2 LYS 8 2HZ LYS 8 3.155 7.962 2.689 44 HZ3 LYS 8 3HZ LYS 8 3.073 6.791 3.845 45 H TYR 9 H TYR 9 0.891 0.870 -0.910 46 HA TYR 9 HA TYR 9 3.560 -0.577 -0.608 47 HB2 TYR 9 1HB TYR 9 0.847 -0.923 0.833 48 HB3 TYR 9 2HB TYR 9 2.320 -1.743 1.241 49 HD1 TYR 9 1HD TYR 9 0.353 1.216 1.849 50 HD2 TYR 9 2HD TYR 9 4.383 -0.272 2.033 51 HE1 TYR 9 1HE TYR 9 0.982 3.069 3.351 52 HE2 TYR 9 2HE TYR 9 4.998 1.589 3.516 53 HH TYR 9 HH TYR 9 4.191 3.278 4.778 54 H CYS 10 H CYS 10 3.853 -2.656 -1.346 55 HA CYS 10 HA CYS 10 1.445 -4.272 -2.215 56 HB2 CYS 10 1HB CYS 10 2.455 -3.074 -4.264 57 HB3 CYS 10 2HB CYS 10 3.797 -4.219 -4.139 58 H VAL 11 H VAL 11 1.840 -5.094 -0.097 59 HA VAL 11 HA VAL 11 3.299 -7.697 -0.320 60 HB VAL 11 HB VAL 11 4.162 -7.550 2.056 61 HG11 VAL 11 1HG1 VAL 11 6.376 -6.620 1.458 62 HG12 VAL 11 2HG1 VAL 11 5.715 -7.544 0.093 63 HG13 VAL 11 3HG1 VAL 11 5.678 -5.768 0.057 64 HG21 VAL 11 1HG2 VAL 11 4.865 -5.387 3.065 65 HG22 VAL 11 2HG2 VAL 11 4.083 -4.481 1.744 66 HG23 VAL 11 3HG2 VAL 11 3.101 -5.430 2.879 Start of MODEL 5 1 H1 ASP 4 1H ASP 4 -0.667 -8.652 0.464 2 H2 ASP 4 2H ASP 4 0.010 -7.561 1.423 3 H3 ASP 4 3H ASP 4 -1.347 -8.391 1.993 4 HA ASP 4 HA ASP 4 -2.684 -7.437 0.086 5 HB2 ASP 4 1HB ASP 4 -1.885 -5.807 2.588 6 HB3 ASP 4 2HB ASP 4 -3.304 -5.505 1.605 7 H CYS 5 H CYS 5 -2.685 -6.044 -1.619 8 HA CYS 5 HA CYS 5 -0.516 -3.925 -1.816 9 HB2 CYS 5 1HB CYS 5 -2.160 -5.191 -4.058 10 HB3 CYS 5 2HB CYS 5 -1.026 -3.837 -4.233 11 H PHE 6 H PHE 6 -0.979 -1.935 -1.696 12 HA PHE 6 HA PHE 6 -3.792 -0.842 -1.416 13 HB2 PHE 6 1HB PHE 6 -3.550 -2.256 0.606 14 HB3 PHE 6 2HB PHE 6 -2.030 -1.516 1.022 15 HD1 PHE 6 1HD PHE 6 -1.983 0.545 2.313 16 HD2 PHE 6 2HD PHE 6 -5.720 -0.838 0.704 17 HE1 PHE 6 1HE PHE 6 -3.185 2.266 3.612 18 HE2 PHE 6 2HE PHE 6 -6.910 0.889 2.005 19 HZ PHE 6 HZ PHE 6 -5.644 2.445 3.453 20 HA E9M 7 HA NMW 7 -2.449 3.646 -2.266 21 HD1 E9M 7 HD NMW 7 -1.824 6.012 -1.727 22 HB3 E9M 7 2HB NMW 7 -1.474 2.758 0.484 23 HB2 E9M 7 1HB NMW 7 -3.059 3.334 0.140 24 HE3 E9M 7 3HE NMW 7 -1.153 3.601 2.714 25 HE1 E9M 7 1HE NMW 7 -0.822 8.083 -0.407 26 HZ3 E9M 7 3HZ NMW 7 -0.203 4.856 4.633 27 HZ2 E9M 7 2HZ NMW 7 0.123 8.420 2.250 28 HH2 E9M 7 HH NMW 7 0.425 7.227 4.404 29 HN3 E9M 7 3H NMW 7 -4.062 2.394 -3.082 30 HN1 E9M 7 1H NMW 7 -3.844 0.646 -3.208 31 HN2 E9M 7 2H NMW 7 -4.694 1.347 -1.794 32 H LYS 8 H LYS 8 0.379 3.413 -0.597 33 HA LYS 8 HA LYS 8 2.053 2.686 -3.064 34 HB2 LYS 8 1HB LYS 8 3.861 4.060 -2.075 35 HB3 LYS 8 2HB LYS 8 2.450 4.938 -2.583 36 HG2 LYS 8 1HG LYS 8 3.254 5.999 -0.627 37 HG3 LYS 8 2HG LYS 8 1.725 5.275 -0.195 38 HD2 LYS 8 1HD LYS 8 2.946 3.368 0.963 39 HD3 LYS 8 2HD LYS 8 4.492 4.039 0.446 40 HE2 LYS 8 1HE LYS 8 3.930 6.213 1.738 41 HE3 LYS 8 2HE LYS 8 2.433 5.463 2.300 42 HZ1 LYS 8 1HZ LYS 8 3.741 3.748 3.488 43 HZ2 LYS 8 2HZ LYS 8 5.147 4.230 2.797 44 HZ3 LYS 8 3HZ LYS 8 4.395 5.190 3.901 45 H TYR 9 H TYR 9 0.876 0.829 -0.939 46 HA TYR 9 HA TYR 9 3.477 -0.684 -0.334 47 HB2 TYR 9 1HB TYR 9 0.605 -0.942 0.800 48 HB3 TYR 9 2HB TYR 9 1.915 -1.993 1.213 49 HD1 TYR 9 1HD TYR 9 0.435 1.295 1.842 50 HD2 TYR 9 2HD TYR 9 3.920 -1.127 2.535 51 HE1 TYR 9 1HE TYR 9 1.135 2.800 3.668 52 HE2 TYR 9 2HE TYR 9 4.610 0.388 4.342 53 HH TYR 9 HH TYR 9 3.810 2.074 5.753 54 H CYS 10 H CYS 10 3.793 -2.687 -1.208 55 HA CYS 10 HA CYS 10 1.473 -4.295 -2.190 56 HB2 CYS 10 1HB CYS 10 2.280 -2.906 -4.216 57 HB3 CYS 10 2HB CYS 10 3.699 -3.957 -4.249 58 H VAL 11 H VAL 11 1.953 -5.355 -0.261 59 HA VAL 11 HA VAL 11 3.715 -7.717 -0.705 60 HB VAL 11 HB VAL 11 4.595 -7.700 1.664 61 HG11 VAL 11 1HG1 VAL 11 6.684 -6.470 1.148 62 HG12 VAL 11 2HG1 VAL 11 6.110 -7.330 -0.296 63 HG13 VAL 11 3HG1 VAL 11 5.873 -5.574 -0.161 64 HG21 VAL 11 1HG2 VAL 11 5.072 -5.580 2.876 65 HG22 VAL 11 2HG2 VAL 11 4.170 -4.643 1.655 66 HG23 VAL 11 3HG2 VAL 11 3.321 -5.804 2.698 Start of MODEL 6 1 H1 ASP 4 1H ASP 4 -1.466 -7.825 2.571 2 H2 ASP 4 2H ASP 4 -0.044 -7.699 1.603 3 H3 ASP 4 3H ASP 4 -0.606 -6.406 2.498 4 HA ASP 4 HA ASP 4 -2.026 -7.663 0.207 5 HB2 ASP 4 1HB ASP 4 -3.012 -5.532 2.243 6 HB3 ASP 4 2HB ASP 4 -3.868 -5.969 0.779 7 H CYS 5 H CYS 5 -2.434 -6.219 -1.580 8 HA CYS 5 HA CYS 5 -0.504 -3.920 -1.823 9 HB2 CYS 5 1HB CYS 5 -2.173 -5.296 -3.974 10 HB3 CYS 5 2HB CYS 5 -1.056 -3.938 -4.228 11 H PHE 6 H PHE 6 -0.996 -1.954 -1.674 12 HA PHE 6 HA PHE 6 -3.797 -0.844 -1.590 13 HB2 PHE 6 1HB PHE 6 -3.686 -2.245 0.488 14 HB3 PHE 6 2HB PHE 6 -2.257 -1.406 1.025 15 HD1 PHE 6 1HD PHE 6 -5.922 -0.968 0.287 16 HD2 PHE 6 2HD PHE 6 -2.476 0.707 2.233 17 HE1 PHE 6 1HE PHE 6 -7.353 0.713 1.391 18 HE2 PHE 6 2HE PHE 6 -3.920 2.380 3.336 19 HZ PHE 6 HZ PHE 6 -6.354 2.388 2.910 20 HA E9M 7 HA NMW 7 -2.432 3.668 -2.243 21 HD1 E9M 7 HD NMW 7 -1.355 5.916 -1.697 22 HB3 E9M 7 2HB NMW 7 -1.512 2.730 0.510 23 HB2 E9M 7 1HB NMW 7 -3.097 3.295 0.140 24 HE3 E9M 7 3HE NMW 7 -1.820 3.659 2.851 25 HE1 E9M 7 1HE NMW 7 -0.547 7.983 -0.250 26 HZ3 E9M 7 3HZ NMW 7 -1.157 4.908 4.885 27 HZ2 E9M 7 2HZ NMW 7 -0.110 8.351 2.533 28 HH2 E9M 7 HH NMW 7 -0.310 7.217 4.730 29 HN3 E9M 7 3H NMW 7 -3.800 0.711 -3.310 30 HN1 E9M 7 1H NMW 7 -4.695 1.351 -1.896 31 HN2 E9M 7 2H NMW 7 -4.032 2.450 -3.122 32 H LYS 8 H LYS 8 0.327 3.380 -0.504 33 HA LYS 8 HA LYS 8 2.119 3.038 -2.963 34 HB2 LYS 8 1HB LYS 8 3.794 4.260 -1.694 35 HB3 LYS 8 2HB LYS 8 2.323 5.187 -1.843 36 HG2 LYS 8 1HG LYS 8 1.727 4.630 0.579 37 HG3 LYS 8 2HG LYS 8 3.201 3.678 0.719 38 HD2 LYS 8 1HD LYS 8 4.584 5.776 0.223 39 HD3 LYS 8 2HD LYS 8 3.105 6.679 -0.020 40 HE2 LYS 8 1HE LYS 8 3.844 7.293 2.157 41 HE3 LYS 8 2HE LYS 8 2.419 6.293 2.406 42 HZ1 LYS 8 1HZ LYS 8 5.107 4.961 2.420 43 HZ2 LYS 8 2HZ LYS 8 4.641 5.777 3.772 44 HZ3 LYS 8 3HZ LYS 8 3.754 4.510 3.243 45 H TYR 9 H TYR 9 0.902 0.834 -1.029 46 HA TYR 9 HA TYR 9 3.524 -0.642 -0.470 47 HB2 TYR 9 1HB TYR 9 0.720 -0.982 0.772 48 HB3 TYR 9 2HB TYR 9 2.179 -1.762 1.297 49 HD1 TYR 9 1HD TYR 9 4.213 0.004 1.969 50 HD2 TYR 9 2HD TYR 9 0.007 0.896 2.021 51 HE1 TYR 9 1HE TYR 9 4.621 1.871 3.521 52 HE2 TYR 9 2HE TYR 9 0.425 2.736 3.593 53 HH TYR 9 HH TYR 9 1.994 3.599 5.037 54 H CYS 10 H CYS 10 3.813 -2.710 -1.245 55 HA CYS 10 HA CYS 10 1.450 -4.306 -2.180 56 HB2 CYS 10 1HB CYS 10 2.265 -2.958 -4.205 57 HB3 CYS 10 2HB CYS 10 3.684 -4.012 -4.224 58 H VAL 11 H VAL 11 1.765 -5.521 -0.400 59 HA VAL 11 HA VAL 11 3.437 -7.902 -1.028 60 HB VAL 11 HB VAL 11 3.563 -6.813 1.850 61 HG11 VAL 11 1HG1 VAL 11 5.166 -8.702 2.280 62 HG12 VAL 11 2HG1 VAL 11 3.611 -9.325 1.714 63 HG13 VAL 11 3HG1 VAL 11 4.987 -9.263 0.594 64 HG21 VAL 11 1HG2 VAL 11 5.895 -6.898 -0.181 65 HG22 VAL 11 2HG2 VAL 11 5.150 -5.438 0.501 66 HG23 VAL 11 3HG2 VAL 11 6.057 -6.528 1.560 Start of MODEL 7 1 H1 ASP 4 1H ASP 4 -0.060 -7.543 1.512 2 H2 ASP 4 2H ASP 4 -1.416 -8.370 2.089 3 H3 ASP 4 3H ASP 4 -0.732 -8.645 0.565 4 HA ASP 4 HA ASP 4 -2.747 -7.438 0.163 5 HB2 ASP 4 1HB ASP 4 -1.971 -5.783 2.656 6 HB3 ASP 4 2HB ASP 4 -3.385 -5.496 1.660 7 H CYS 5 H CYS 5 -2.722 -6.070 -1.566 8 HA CYS 5 HA CYS 5 -0.535 -3.974 -1.771 9 HB2 CYS 5 1HB CYS 5 -2.184 -5.249 -4.004 10 HB3 CYS 5 2HB CYS 5 -1.039 -3.905 -4.193 11 H PHE 6 H PHE 6 -0.960 -1.977 -1.678 12 HA PHE 6 HA PHE 6 -3.762 -0.836 -1.405 13 HB2 PHE 6 1HB PHE 6 -3.522 -2.230 0.630 14 HB3 PHE 6 2HB PHE 6 -2.000 -1.486 1.034 15 HD1 PHE 6 1HD PHE 6 -1.962 0.563 2.334 16 HD2 PHE 6 2HD PHE 6 -5.682 -0.773 0.649 17 HE1 PHE 6 1HE PHE 6 -3.168 2.307 3.599 18 HE2 PHE 6 2HE PHE 6 -6.875 0.978 1.914 19 HZ PHE 6 HZ PHE 6 -5.620 2.521 3.382 20 HA E9M 7 HA NMW 7 -2.429 3.555 -2.483 21 HD1 E9M 7 HD NMW 7 -2.353 6.009 -1.902 22 HB3 E9M 7 2HB NMW 7 -1.762 2.811 0.395 23 HB2 E9M 7 1HB NMW 7 -3.312 3.282 -0.174 24 HE3 E9M 7 3HE NMW 7 -1.317 3.690 2.515 25 HE1 E9M 7 1HE NMW 7 -1.577 8.183 -0.594 26 HZ3 E9M 7 3HZ NMW 7 -0.505 5.046 4.427 27 HZ2 E9M 7 2HZ NMW 7 -0.632 8.627 2.050 28 HH2 E9M 7 HH NMW 7 -0.171 7.477 4.199 29 HN3 E9M 7 3H NMW 7 -3.705 2.110 -3.577 30 HN1 E9M 7 1H NMW 7 -3.539 0.364 -3.400 31 HN2 E9M 7 2H NMW 7 -4.569 1.284 -2.259 32 H LYS 8 H LYS 8 0.194 3.268 -0.411 33 HA LYS 8 HA LYS 8 2.229 3.447 -2.679 34 HB2 LYS 8 1HB LYS 8 2.534 3.655 0.381 35 HB3 LYS 8 2HB LYS 8 3.822 3.917 -0.782 36 HG2 LYS 8 1HG LYS 8 2.589 5.899 -1.751 37 HG3 LYS 8 2HG LYS 8 1.309 5.698 -0.578 38 HD2 LYS 8 1HD LYS 8 4.249 6.456 0.032 39 HD3 LYS 8 2HD LYS 8 2.854 7.495 0.046 40 HE2 LYS 8 1HE LYS 8 2.940 7.160 2.334 41 HE3 LYS 8 2HE LYS 8 1.859 5.840 1.920 42 HZ1 LYS 8 1HZ LYS 8 4.809 5.658 2.518 43 HZ2 LYS 8 2HZ LYS 8 3.593 4.772 3.208 44 HZ3 LYS 8 3HZ LYS 8 4.074 4.462 1.680 45 H TYR 9 H TYR 9 0.873 0.864 -0.905 46 HA TYR 9 HA TYR 9 3.520 -0.616 -0.529 47 HB2 TYR 9 1HB TYR 9 0.756 -0.915 0.830 48 HB3 TYR 9 2HB TYR 9 2.178 -1.815 1.246 49 HD1 TYR 9 1HD TYR 9 0.416 1.342 1.731 50 HD2 TYR 9 2HD TYR 9 4.214 -0.595 2.289 51 HE1 TYR 9 1HE TYR 9 1.107 3.123 3.291 52 HE2 TYR 9 2HE TYR 9 4.890 1.189 3.841 53 HH TYR 9 HH TYR 9 4.024 2.929 5.150 54 H CYS 10 H CYS 10 3.813 -2.678 -1.291 55 HA CYS 10 HA CYS 10 1.452 -4.321 -2.158 56 HB2 CYS 10 1HB CYS 10 2.258 -2.994 -4.223 57 HB3 CYS 10 2HB CYS 10 3.674 -4.052 -4.230 58 H VAL 11 H VAL 11 1.918 -5.346 -0.209 59 HA VAL 11 HA VAL 11 3.657 -7.733 -0.615 60 HB VAL 11 HB VAL 11 4.520 -7.699 1.758 61 HG11 VAL 11 1HG1 VAL 11 6.623 -6.494 1.244 62 HG12 VAL 11 2HG1 VAL 11 6.051 -7.365 -0.193 63 HG13 VAL 11 3HG1 VAL 11 5.830 -5.606 -0.082 64 HG21 VAL 11 1HG2 VAL 11 5.009 -5.569 2.950 65 HG22 VAL 11 2HG2 VAL 11 4.124 -4.638 1.713 66 HG23 VAL 11 3HG2 VAL 11 3.256 -5.778 2.762 Start of MODEL 8 1 H1 ASP 4 1H ASP 4 -0.726 -8.944 -0.194 2 H2 ASP 4 2H ASP 4 -0.051 -8.047 0.963 3 H3 ASP 4 3H ASP 4 -1.394 -8.976 1.364 4 HA ASP 4 HA ASP 4 -2.778 -7.695 -0.274 5 HB2 ASP 4 1HB ASP 4 -1.834 -6.539 2.432 6 HB3 ASP 4 2HB ASP 4 -3.280 -6.025 1.580 7 H CYS 5 H CYS 5 -2.795 -6.085 -1.775 8 HA CYS 5 HA CYS 5 -0.569 -4.009 -1.746 9 HB2 CYS 5 1HB CYS 5 -2.041 -5.207 -4.147 10 HB3 CYS 5 2HB CYS 5 -0.883 -3.862 -4.200 11 H PHE 6 H PHE 6 -1.022 -2.027 -1.546 12 HA PHE 6 HA PHE 6 -3.744 -0.806 -1.833 13 HB2 PHE 6 1HB PHE 6 -4.112 -0.436 0.534 14 HB3 PHE 6 2HB PHE 6 -4.030 -2.134 0.209 15 HD1 PHE 6 1HD PHE 6 -1.963 -3.473 0.972 16 HD2 PHE 6 2HD PHE 6 -2.550 0.628 2.123 17 HE1 PHE 6 1HE PHE 6 -0.309 -3.738 2.768 18 HE2 PHE 6 2HE PHE 6 -0.904 0.345 3.936 19 HZ PHE 6 HZ PHE 6 0.224 -1.832 4.258 20 HA E9M 7 HA NMW 7 -2.447 3.794 -1.793 21 HD1 E9M 7 HD NMW 7 -1.099 5.902 -1.060 22 HB3 E9M 7 2HB NMW 7 -1.213 2.469 0.667 23 HB2 E9M 7 1HB NMW 7 -2.826 3.076 0.594 24 HE3 E9M 7 3HE NMW 7 -1.579 3.105 3.182 25 HE1 E9M 7 1HE NMW 7 -0.242 7.758 0.629 26 HZ3 E9M 7 3HZ NMW 7 -0.942 4.103 5.356 27 HZ2 E9M 7 2HZ NMW 7 0.200 7.776 3.436 28 HH2 E9M 7 HH NMW 7 -0.059 6.400 5.483 29 HN3 E9M 7 3H NMW 7 -4.259 2.762 -2.475 30 HN1 E9M 7 1H NMW 7 -4.023 1.132 -3.114 31 HN2 E9M 7 2H NMW 7 -4.737 1.371 -1.489 32 H LYS 8 H LYS 8 0.503 3.299 -0.488 33 HA LYS 8 HA LYS 8 1.940 2.964 -3.178 34 HB2 LYS 8 1HB LYS 8 3.799 4.128 -2.204 35 HB3 LYS 8 2HB LYS 8 2.367 5.111 -2.033 36 HG2 LYS 8 1HG LYS 8 2.222 4.456 0.435 37 HG3 LYS 8 2HG LYS 8 3.639 3.428 0.243 38 HD2 LYS 8 1HD LYS 8 5.000 5.476 -0.464 39 HD3 LYS 8 2HD LYS 8 3.573 6.489 -0.206 40 HE2 LYS 8 1HE LYS 8 3.505 5.739 2.251 41 HE3 LYS 8 2HE LYS 8 4.933 4.740 1.981 42 HZ1 LYS 8 1HZ LYS 8 6.181 6.807 1.329 43 HZ2 LYS 8 2HZ LYS 8 4.860 7.740 1.593 44 HZ3 LYS 8 3HZ LYS 8 5.589 6.972 2.854 45 H TYR 9 H TYR 9 0.947 0.821 -0.961 46 HA TYR 9 HA TYR 9 3.642 -0.574 -0.539 47 HB2 TYR 9 1HB TYR 9 0.986 -0.667 1.032 48 HB3 TYR 9 2HB TYR 9 2.414 -1.564 1.439 49 HD1 TYR 9 1HD TYR 9 4.631 -0.184 1.982 50 HD2 TYR 9 2HD TYR 9 0.694 1.543 1.959 51 HE1 TYR 9 1HE TYR 9 5.430 1.682 3.385 52 HE2 TYR 9 2HE TYR 9 1.508 3.392 3.366 53 HH TYR 9 HH TYR 9 3.222 3.986 4.791 54 H CYS 10 H CYS 10 3.901 -2.599 -1.311 55 HA CYS 10 HA CYS 10 1.492 -4.313 -2.032 56 HB2 CYS 10 1HB CYS 10 2.208 -2.927 -4.065 57 HB3 CYS 10 2HB CYS 10 3.706 -3.865 -4.104 58 H VAL 11 H VAL 11 1.910 -5.572 -0.275 59 HA VAL 11 HA VAL 11 3.863 -7.779 -0.824 60 HB VAL 11 HB VAL 11 3.775 -6.481 1.971 61 HG11 VAL 11 1HG1 VAL 11 5.481 -8.209 2.641 62 HG12 VAL 11 2HG1 VAL 11 3.976 -8.977 2.109 63 HG13 VAL 11 3HG1 VAL 11 5.383 -8.955 1.023 64 HG21 VAL 11 1HG2 VAL 11 6.261 -6.065 1.716 65 HG22 VAL 11 2HG2 VAL 11 6.185 -6.636 0.026 66 HG23 VAL 11 3HG2 VAL 11 5.329 -5.159 0.514 Start of MODEL 9 1 H1 ASP 4 1H ASP 4 -2.046 -8.235 2.123 2 H2 ASP 4 2H ASP 4 -0.647 -7.948 1.142 3 H3 ASP 4 3H ASP 4 -1.124 -6.841 2.185 4 HA ASP 4 HA ASP 4 -2.674 -7.698 -0.210 5 HB2 ASP 4 1HB ASP 4 -3.622 -5.894 2.126 6 HB3 ASP 4 2HB ASP 4 -4.469 -6.072 0.604 7 H CYS 5 H CYS 5 -2.432 -6.313 -1.947 8 HA CYS 5 HA CYS 5 -0.541 -4.028 -1.691 9 HB2 CYS 5 1HB CYS 5 -1.967 -5.139 -4.169 10 HB3 CYS 5 2HB CYS 5 -0.766 -3.836 -4.161 11 H PHE 6 H PHE 6 -0.949 -1.988 -1.638 12 HA PHE 6 HA PHE 6 -3.761 -0.857 -1.603 13 HB2 PHE 6 1HB PHE 6 -3.610 -2.341 0.426 14 HB3 PHE 6 2HB PHE 6 -2.205 -1.485 0.989 15 HD1 PHE 6 1HD PHE 6 -5.883 -1.137 0.285 16 HD2 PHE 6 2HD PHE 6 -2.478 0.588 2.258 17 HE1 PHE 6 1HE PHE 6 -7.360 0.458 1.452 18 HE2 PHE 6 2HE PHE 6 -3.968 2.175 3.427 19 HZ PHE 6 HZ PHE 6 -6.405 2.117 3.018 20 HA E9M 7 HA NMW 7 -2.490 3.713 -2.007 21 HD1 E9M 7 HD NMW 7 -1.177 5.892 -1.405 22 HB3 E9M 7 2HB NMW 7 -1.359 2.643 0.619 23 HB2 E9M 7 1HB NMW 7 -2.980 3.180 0.395 24 HE3 E9M 7 3HE NMW 7 -1.910 3.509 3.046 25 HE1 E9M 7 1HE NMW 7 -0.570 7.949 0.144 26 HZ3 E9M 7 3HZ NMW 7 -1.484 4.742 5.150 27 HZ2 E9M 7 2HZ NMW 7 -0.376 8.274 2.962 28 HH2 E9M 7 HH NMW 7 -0.732 7.088 5.111 29 HN3 E9M 7 3H NMW 7 -4.715 1.337 -1.665 30 HN1 E9M 7 1H NMW 7 -4.146 2.545 -2.833 31 HN2 E9M 7 2H NMW 7 -3.895 0.832 -3.177 32 H LYS 8 H LYS 8 0.388 3.276 -0.479 33 HA LYS 8 HA LYS 8 1.996 3.021 -3.079 34 HB2 LYS 8 1HB LYS 8 3.715 4.312 -1.993 35 HB3 LYS 8 2HB LYS 8 2.206 5.182 -1.916 36 HG2 LYS 8 1HG LYS 8 1.993 4.305 0.570 37 HG3 LYS 8 2HG LYS 8 3.638 3.709 0.401 38 HD2 LYS 8 1HD LYS 8 4.355 6.109 -0.245 39 HD3 LYS 8 2HD LYS 8 2.721 6.660 0.057 40 HE2 LYS 8 1HE LYS 8 4.645 5.406 2.153 41 HE3 LYS 8 2HE LYS 8 4.331 7.125 1.946 42 HZ1 LYS 8 1HZ LYS 8 2.712 6.676 3.565 43 HZ2 LYS 8 2HZ LYS 8 1.784 6.210 2.285 44 HZ3 LYS 8 3HZ LYS 8 2.590 5.086 3.189 45 H TYR 9 H TYR 9 0.934 0.827 -1.043 46 HA TYR 9 HA TYR 9 3.599 -0.583 -0.531 47 HB2 TYR 9 1HB TYR 9 0.842 -0.870 0.837 48 HB3 TYR 9 2HB TYR 9 2.308 -1.658 1.323 49 HD1 TYR 9 1HD TYR 9 0.279 1.269 1.777 50 HD2 TYR 9 2HD TYR 9 4.334 -0.120 2.118 51 HE1 TYR 9 1HE TYR 9 0.813 3.159 3.264 52 HE2 TYR 9 2HE TYR 9 4.854 1.777 3.593 53 HH TYR 9 HH TYR 9 3.886 3.402 4.898 54 H CYS 10 H CYS 10 3.891 -2.661 -1.270 55 HA CYS 10 HA CYS 10 1.480 -4.257 -2.195 56 HB2 CYS 10 1HB CYS 10 2.557 -3.060 -4.198 57 HB3 CYS 10 2HB CYS 10 3.894 -4.208 -4.039 58 H VAL 11 H VAL 11 1.752 -5.165 -0.115 59 HA VAL 11 HA VAL 11 2.983 -7.815 -0.446 60 HB VAL 11 HB VAL 11 4.948 -6.666 0.492 61 HG11 VAL 11 1HG1 VAL 11 5.108 -5.850 2.834 62 HG12 VAL 11 2HG1 VAL 11 3.909 -4.891 1.940 63 HG13 VAL 11 3HG1 VAL 11 3.367 -6.134 3.087 64 HG21 VAL 11 1HG2 VAL 11 5.482 -8.298 2.297 65 HG22 VAL 11 2HG2 VAL 11 3.754 -8.692 2.481 66 HG23 VAL 11 3HG2 VAL 11 4.606 -9.094 0.973 Start of MODEL 10 1 H1 ASP 4 1H ASP 4 -2.045 -8.235 2.122 2 H2 ASP 4 2H ASP 4 -0.646 -7.948 1.142 3 H3 ASP 4 3H ASP 4 -1.123 -6.841 2.185 4 HA ASP 4 HA ASP 4 -2.673 -7.699 -0.209 5 HB2 ASP 4 1HB ASP 4 -3.620 -5.895 2.127 6 HB3 ASP 4 2HB ASP 4 -4.468 -6.072 0.604 7 H CYS 5 H CYS 5 -2.432 -6.313 -1.946 8 HA CYS 5 HA CYS 5 -0.541 -4.028 -1.691 9 HB2 CYS 5 1HB CYS 5 -1.967 -5.140 -4.168 10 HB3 CYS 5 2HB CYS 5 -0.766 -3.835 -4.162 11 H PHE 6 H PHE 6 -0.950 -1.988 -1.638 12 HA PHE 6 HA PHE 6 -3.761 -0.857 -1.604 13 HB2 PHE 6 1HB PHE 6 -3.610 -2.341 0.426 14 HB3 PHE 6 2HB PHE 6 -2.206 -1.485 0.989 15 HD1 PHE 6 1HD PHE 6 -5.883 -1.138 0.285 16 HD2 PHE 6 2HD PHE 6 -2.478 0.589 2.258 17 HE1 PHE 6 1HE PHE 6 -7.359 0.457 1.453 18 HE2 PHE 6 2HE PHE 6 -3.969 2.175 3.427 19 HZ PHE 6 HZ PHE 6 -6.404 2.117 3.018 20 HA E9M 7 HA NMW 7 -2.490 3.713 -2.007 21 HD1 E9M 7 HD NMW 7 -1.177 5.891 -1.405 22 HB3 E9M 7 2HB NMW 7 -1.360 2.644 0.619 23 HB2 E9M 7 1HB NMW 7 -2.980 3.179 0.395 24 HE3 E9M 7 3HE NMW 7 -1.910 3.509 3.046 25 HE1 E9M 7 1HE NMW 7 -0.570 7.949 0.143 26 HZ3 E9M 7 3HZ NMW 7 -1.485 4.743 5.150 27 HZ2 E9M 7 2HZ NMW 7 -0.377 8.274 2.961 28 HH2 E9M 7 HH NMW 7 -0.732 7.088 5.112 29 HN3 E9M 7 3H NMW 7 -4.146 2.544 -2.834 30 HN1 E9M 7 1H NMW 7 -3.895 0.831 -3.177 31 HN2 E9M 7 2H NMW 7 -4.714 1.337 -1.666 32 H LYS 8 H LYS 8 0.388 3.276 -0.478 33 HA LYS 8 HA LYS 8 1.996 3.021 -3.079 34 HB2 LYS 8 1HB LYS 8 3.715 4.312 -1.992 35 HB3 LYS 8 2HB LYS 8 2.206 5.182 -1.916 36 HG2 LYS 8 1HG LYS 8 1.993 4.305 0.570 37 HG3 LYS 8 2HG LYS 8 3.637 3.708 0.402 38 HD2 LYS 8 1HD LYS 8 4.355 6.109 -0.244 39 HD3 LYS 8 2HD LYS 8 2.721 6.660 0.058 40 HE2 LYS 8 1HE LYS 8 4.645 5.406 2.154 41 HE3 LYS 8 2HE LYS 8 4.331 7.124 1.948 42 HZ1 LYS 8 1HZ LYS 8 2.711 6.675 3.566 43 HZ2 LYS 8 2HZ LYS 8 1.783 6.210 2.285 44 HZ3 LYS 8 3HZ LYS 8 2.588 5.085 3.190 45 H TYR 9 H TYR 9 0.933 0.827 -1.043 46 HA TYR 9 HA TYR 9 3.599 -0.583 -0.530 47 HB2 TYR 9 1HB TYR 9 0.841 -0.870 0.838 48 HB3 TYR 9 2HB TYR 9 2.307 -1.659 1.324 49 HD1 TYR 9 1HD TYR 9 0.278 1.267 1.777 50 HD2 TYR 9 2HD TYR 9 4.332 -0.120 2.118 51 HE1 TYR 9 1HE TYR 9 0.812 3.158 3.265 52 HE2 TYR 9 2HE TYR 9 4.852 1.777 3.594 53 HH TYR 9 HH TYR 9 3.884 3.402 4.900 54 H CYS 10 H CYS 10 3.891 -2.661 -1.270 55 HA CYS 10 HA CYS 10 1.480 -4.257 -2.194 56 HB2 CYS 10 1HB CYS 10 2.557 -3.061 -4.197 57 HB3 CYS 10 2HB CYS 10 3.894 -4.208 -4.040 58 H VAL 11 H VAL 11 1.752 -5.164 -0.115 59 HA VAL 11 HA VAL 11 2.984 -7.815 -0.445 60 HB VAL 11 HB VAL 11 4.950 -6.666 0.492 61 HG11 VAL 11 1HG1 VAL 11 3.368 -6.132 3.086 62 HG12 VAL 11 2HG1 VAL 11 5.110 -5.849 2.834 63 HG13 VAL 11 3HG1 VAL 11 3.908 -4.891 1.939 64 HG21 VAL 11 1HG2 VAL 11 5.484 -8.296 2.296 65 HG22 VAL 11 2HG2 VAL 11 3.756 -8.691 2.481 66 HG23 VAL 11 3HG2 VAL 11 4.607 -9.093 0.972
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