NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
641619 | 6qyv | 34373 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 PHE 1 H1 PHE 1 11.071 2.151 4.708 2 H2 PHE 1 H2 PHE 1 12.282 3.025 5.519 3 H3 PHE 1 H3 PHE 1 12.679 2.063 4.176 4 HA PHE 1 HA PHE 1 12.671 4.254 3.377 5 HB2 PHE 1 HB2 PHE 1 9.904 3.685 2.550 6 HB3 PHE 1 HB1 PHE 1 11.366 3.813 1.565 7 HD1 PHE 1 HD1 PHE 1 8.923 1.611 2.762 8 HD2 PHE 1 HD2 PHE 1 13.131 1.893 1.977 9 HE1 PHE 1 HE1 PHE 1 9.061 -0.870 2.634 10 HE2 PHE 1 HE2 PHE 1 13.278 -0.585 1.847 11 HZ PHE 1 HZ PHE 1 11.242 -1.957 2.178 12 H SER 2 HN SER 2 11.460 6.256 3.066 13 HA SER 2 HA SER 2 10.002 6.985 5.522 14 HB2 SER 2 HB2 SER 2 10.891 9.115 3.679 15 HB3 SER 2 HB1 SER 2 11.003 9.021 5.434 16 HG SER 2 HG SER 2 12.624 7.273 4.902 17 H DAL 3 HN DAL 3 7.999 6.097 4.731 18 HA DAL 3 HA DAL 3 6.653 7.918 2.837 19 HB1 DAL 3 HB1 DAL 3 5.771 7.796 5.180 20 HB2 DAL 3 HB2 DAL 3 5.391 6.099 4.902 21 H LEU 4 HN LEU 4 5.150 4.945 3.731 22 HA LEU 4 HA LEU 4 5.615 3.911 1.001 23 HB2 LEU 4 HB2 LEU 4 5.186 1.626 2.364 24 HB3 LEU 4 HB1 LEU 4 6.793 2.292 2.077 25 HG LEU 4 HG LEU 4 5.154 3.039 4.505 26 HD11 LEU 4 HD11 LEU 4 6.404 0.514 3.907 27 HD12 LEU 4 HD12 LEU 4 5.553 1.001 5.372 28 HD13 LEU 4 HD13 LEU 4 7.282 1.303 5.217 29 HD21 LEU 4 HD21 LEU 4 7.701 3.819 3.374 30 HD22 LEU 4 HD22 LEU 4 7.946 3.086 4.959 31 HD23 LEU 4 HD23 LEU 4 6.872 4.473 4.786 32 H ALA 5 HN ALA 5 3.554 2.996 3.762 33 HA ALA 5 HA ALA 5 1.206 3.543 2.096 34 HB1 ALA 5 HB1 ALA 5 2.239 0.916 2.827 35 HB2 ALA 5 HB2 ALA 5 1.020 1.354 1.632 36 HB3 ALA 5 HB3 ALA 5 0.564 1.155 3.325 37 H LEU 6 HN LEU 6 2.791 4.028 4.872 38 HA LEU 6 HA LEU 6 0.341 4.731 6.294 39 HB2 LEU 6 HB2 LEU 6 1.536 2.362 6.939 40 HB3 LEU 6 HB1 LEU 6 2.350 3.473 8.043 41 HG LEU 6 HG LEU 6 0.009 4.373 8.603 42 HD11 LEU 6 HD11 LEU 6 -1.845 3.353 7.764 43 HD12 LEU 6 HD12 LEU 6 -1.127 1.745 7.884 44 HD13 LEU 6 HD13 LEU 6 -0.753 2.779 6.504 45 HD21 LEU 6 HD21 LEU 6 0.772 3.176 10.396 46 HD22 LEU 6 HD22 LEU 6 1.275 1.813 9.398 47 HD23 LEU 6 HD23 LEU 6 -0.418 1.992 9.858 48 H CYS 7 HN CYS 7 1.989 6.479 5.033 49 HA CYS 7 HA CYS 7 4.115 7.495 6.611 50 HB2 CYS 7 HB2 CYS 7 2.404 9.050 4.662 51 HB3 CYS 7 HB1 CYS 7 4.063 9.398 5.148 52 H ALA 8 HN ALA 8 0.737 7.607 6.985 53 HA ALA 8 HA ALA 8 0.158 10.050 8.096 54 HB1 ALA 8 HB1 ALA 8 -0.767 7.294 8.915 55 HB2 ALA 8 HB2 ALA 8 -1.592 8.441 7.860 56 HB3 ALA 8 HB3 ALA 8 -1.450 8.774 9.586 Start of MODEL 2 1 H1 PHE 1 H1 PHE 1 7.644 0.462 9.156 2 H2 PHE 1 H2 PHE 1 8.874 1.624 8.991 3 H3 PHE 1 H3 PHE 1 8.946 0.172 8.110 4 HA PHE 1 HA PHE 1 7.946 1.183 6.435 5 HB2 PHE 1 HB2 PHE 1 5.892 0.719 8.450 6 HB3 PHE 1 HB1 PHE 1 5.481 2.074 7.399 7 HD1 PHE 1 HD1 PHE 1 4.737 1.715 5.185 8 HD2 PHE 1 HD2 PHE 1 6.594 -1.491 7.362 9 HE1 PHE 1 HE1 PHE 1 4.119 0.131 3.380 10 HE2 PHE 1 HE2 PHE 1 5.975 -3.075 5.556 11 HZ PHE 1 HZ PHE 1 4.738 -2.264 3.566 12 H SER 2 HN SER 2 8.609 3.090 5.658 13 HA SER 2 HA SER 2 7.812 5.557 7.030 14 HB2 SER 2 HB2 SER 2 10.611 5.428 6.015 15 HB3 SER 2 HB1 SER 2 9.935 6.391 7.325 16 HG SER 2 HG SER 2 11.195 4.723 8.168 17 H DAL 3 HN DAL 3 6.549 6.379 5.447 18 HA DAL 3 HA DAL 3 7.750 7.353 3.044 19 HB1 DAL 3 HB1 DAL 3 4.844 7.231 2.990 20 HB2 DAL 3 HB2 DAL 3 5.904 8.639 2.963 21 H LEU 4 HN LEU 4 4.941 5.186 3.420 22 HA LEU 4 HA LEU 4 5.477 4.019 0.805 23 HB2 LEU 4 HB2 LEU 4 6.094 2.643 3.338 24 HB3 LEU 4 HB1 LEU 4 5.142 1.703 2.186 25 HG LEU 4 HG LEU 4 7.737 3.126 1.530 26 HD11 LEU 4 HD11 LEU 4 7.224 0.610 2.823 27 HD12 LEU 4 HD12 LEU 4 8.777 1.312 2.368 28 HD13 LEU 4 HD13 LEU 4 7.898 0.299 1.224 29 HD21 LEU 4 HD21 LEU 4 7.245 1.202 -0.385 30 HD22 LEU 4 HD22 LEU 4 6.890 2.919 -0.571 31 HD23 LEU 4 HD23 LEU 4 5.626 1.808 -0.042 32 H ALA 5 HN ALA 5 3.597 3.051 3.688 33 HA ALA 5 HA ALA 5 1.153 3.622 2.184 34 HB1 ALA 5 HB1 ALA 5 2.057 0.936 3.160 35 HB2 ALA 5 HB2 ALA 5 1.362 1.376 1.601 36 HB3 ALA 5 HB3 ALA 5 0.339 1.309 3.036 37 H LEU 6 HN LEU 6 2.898 4.005 4.899 38 HA LEU 6 HA LEU 6 0.489 4.491 6.509 39 HB2 LEU 6 HB2 LEU 6 2.366 2.416 6.999 40 HB3 LEU 6 HB1 LEU 6 2.607 3.639 8.242 41 HG LEU 6 HG LEU 6 0.024 3.624 8.469 42 HD11 LEU 6 HD11 LEU 6 0.195 1.946 6.303 43 HD12 LEU 6 HD12 LEU 6 -1.186 2.025 7.397 44 HD13 LEU 6 HD13 LEU 6 0.057 0.796 7.632 45 HD21 LEU 6 HD21 LEU 6 1.758 2.642 10.064 46 HD22 LEU 6 HD22 LEU 6 1.468 1.089 9.281 47 HD23 LEU 6 HD23 LEU 6 0.158 1.905 10.135 48 H CYS 7 HN CYS 7 1.677 6.484 5.146 49 HA CYS 7 HA CYS 7 3.458 7.851 7.059 50 HB2 CYS 7 HB2 CYS 7 3.145 7.892 4.130 51 HB3 CYS 7 HB1 CYS 7 3.390 9.472 4.872 52 H ALA 8 HN ALA 8 0.436 7.518 7.146 53 HA ALA 8 HA ALA 8 -0.173 10.389 7.465 54 HB1 ALA 8 HB1 ALA 8 -1.835 8.250 6.149 55 HB2 ALA 8 HB2 ALA 8 -1.400 9.842 5.530 56 HB3 ALA 8 HB3 ALA 8 -2.575 9.694 6.836 Start of MODEL 3 1 H1 PHE 1 H1 PHE 1 11.526 7.383 -1.768 2 H2 PHE 1 H2 PHE 1 11.054 5.763 -1.563 3 H3 PHE 1 H3 PHE 1 11.247 6.771 -0.210 4 HA PHE 1 HA PHE 1 9.359 7.707 -2.205 5 HB2 PHE 1 HB2 PHE 1 7.638 6.108 -1.016 6 HB3 PHE 1 HB1 PHE 1 8.616 5.490 -2.352 7 HD1 PHE 1 HD1 PHE 1 10.028 3.648 -2.027 8 HD2 PHE 1 HD2 PHE 1 8.589 5.871 1.350 9 HE1 PHE 1 HE1 PHE 1 11.040 1.970 -0.497 10 HE2 PHE 1 HE2 PHE 1 9.591 4.196 2.886 11 HZ PHE 1 HZ PHE 1 10.817 2.252 1.959 12 H SER 2 HN SER 2 7.897 9.068 -1.215 13 HA SER 2 HA SER 2 8.694 10.183 1.302 14 HB2 SER 2 HB2 SER 2 6.772 10.847 -0.843 15 HB3 SER 2 HB1 SER 2 6.347 11.420 0.767 16 HG SER 2 HG SER 2 8.593 12.208 0.832 17 H DAL 3 HN DAL 3 7.882 7.467 1.588 18 HA DAL 3 HA DAL 3 5.214 7.416 2.716 19 HB1 DAL 3 HB1 DAL 3 6.424 8.555 4.518 20 HB2 DAL 3 HB2 DAL 3 7.622 7.262 4.546 21 H LEU 4 HN LEU 4 4.596 5.523 1.866 22 HA LEU 4 HA LEU 4 5.847 3.406 0.889 23 HB2 LEU 4 HB2 LEU 4 7.373 2.957 2.568 24 HB3 LEU 4 HB1 LEU 4 6.254 3.380 3.855 25 HG LEU 4 HG LEU 4 4.964 1.337 3.432 26 HD11 LEU 4 HD11 LEU 4 6.623 1.343 0.996 27 HD12 LEU 4 HD12 LEU 4 5.037 0.625 1.273 28 HD13 LEU 4 HD13 LEU 4 6.493 -0.236 1.772 29 HD21 LEU 4 HD21 LEU 4 7.398 1.476 4.637 30 HD22 LEU 4 HD22 LEU 4 7.714 0.227 3.433 31 HD23 LEU 4 HD23 LEU 4 6.411 0.015 4.604 32 H ALA 5 HN ALA 5 3.755 3.776 3.716 33 HA ALA 5 HA ALA 5 1.599 2.522 2.183 34 HB1 ALA 5 HB1 ALA 5 2.432 1.600 4.933 35 HB2 ALA 5 HB2 ALA 5 2.772 0.736 3.434 36 HB3 ALA 5 HB3 ALA 5 1.105 0.958 3.966 37 H LEU 6 HN LEU 6 2.376 3.708 5.462 38 HA LEU 6 HA LEU 6 0.303 5.733 5.213 39 HB2 LEU 6 HB2 LEU 6 -0.490 4.836 7.604 40 HB3 LEU 6 HB1 LEU 6 -1.200 4.248 6.100 41 HG LEU 6 HG LEU 6 0.394 2.360 6.082 42 HD11 LEU 6 HD11 LEU 6 2.226 3.478 7.298 43 HD12 LEU 6 HD12 LEU 6 1.792 1.958 8.081 44 HD13 LEU 6 HD13 LEU 6 1.248 3.490 8.767 45 HD21 LEU 6 HD21 LEU 6 -1.643 2.852 8.131 46 HD22 LEU 6 HD22 LEU 6 -0.462 1.641 8.632 47 HD23 LEU 6 HD23 LEU 6 -1.377 1.418 7.140 48 H CYS 7 HN CYS 7 2.609 6.705 5.289 49 HA CYS 7 HA CYS 7 3.903 6.810 7.860 50 HB2 CYS 7 HB2 CYS 7 4.248 8.567 5.417 51 HB3 CYS 7 HB1 CYS 7 5.325 8.522 6.813 52 H ALA 8 HN ALA 8 1.169 8.276 6.555 53 HA ALA 8 HA ALA 8 1.247 10.386 8.622 54 HB1 ALA 8 HB1 ALA 8 -0.046 10.692 5.908 55 HB2 ALA 8 HB2 ALA 8 1.583 11.265 6.273 56 HB3 ALA 8 HB3 ALA 8 0.196 11.938 7.132 Start of MODEL 4 1 H1 PHE 1 H1 PHE 1 14.513 7.723 -0.135 2 H2 PHE 1 H2 PHE 1 15.078 6.681 1.082 3 H3 PHE 1 H3 PHE 1 14.296 8.132 1.496 4 HA PHE 1 HA PHE 1 12.820 6.242 -0.167 5 HB2 PHE 1 HB2 PHE 1 14.058 5.392 2.223 6 HB3 PHE 1 HB1 PHE 1 12.371 5.700 2.642 7 HD1 PHE 1 HD1 PHE 1 14.338 4.184 -0.183 8 HD2 PHE 1 HD2 PHE 1 10.876 3.945 2.350 9 HE1 PHE 1 HE1 PHE 1 13.672 2.068 -1.291 10 HE2 PHE 1 HE2 PHE 1 10.212 1.828 1.243 11 HZ PHE 1 HZ PHE 1 11.610 0.889 -0.578 12 H SER 2 HN SER 2 10.646 6.745 -0.089 13 HA SER 2 HA SER 2 9.865 8.981 1.681 14 HB2 SER 2 HB2 SER 2 8.823 10.120 -0.063 15 HB3 SER 2 HB1 SER 2 10.264 9.487 -0.853 16 HG SER 2 HG SER 2 8.072 7.800 -0.796 17 H DAL 3 HN DAL 3 7.856 8.862 2.592 18 HA DAL 3 HA DAL 3 5.577 7.629 1.933 19 HB1 DAL 3 HB1 DAL 3 5.700 8.741 4.040 20 HB2 DAL 3 HB2 DAL 3 6.931 7.627 4.633 21 H LEU 4 HN LEU 4 4.599 5.564 2.246 22 HA LEU 4 HA LEU 4 6.026 3.378 1.288 23 HB2 LEU 4 HB2 LEU 4 6.332 3.778 4.164 24 HB3 LEU 4 HB1 LEU 4 5.656 2.198 3.764 25 HG LEU 4 HG LEU 4 7.997 3.174 2.172 26 HD11 LEU 4 HD11 LEU 4 8.083 2.156 5.020 27 HD12 LEU 4 HD12 LEU 4 8.814 3.625 4.374 28 HD13 LEU 4 HD13 LEU 4 9.465 2.048 3.930 29 HD21 LEU 4 HD21 LEU 4 6.528 0.936 2.042 30 HD22 LEU 4 HD22 LEU 4 7.668 0.422 3.285 31 HD23 LEU 4 HD23 LEU 4 8.259 0.927 1.702 32 H ALA 5 HN ALA 5 3.662 3.795 3.909 33 HA ALA 5 HA ALA 5 1.612 2.683 2.142 34 HB1 ALA 5 HB1 ALA 5 2.373 0.706 3.199 35 HB2 ALA 5 HB2 ALA 5 0.913 1.174 4.072 36 HB3 ALA 5 HB3 ALA 5 2.501 1.505 4.766 37 H LEU 6 HN LEU 6 2.165 3.657 5.527 38 HA LEU 6 HA LEU 6 0.075 5.691 5.249 39 HB2 LEU 6 HB2 LEU 6 -0.765 4.885 7.580 40 HB3 LEU 6 HB1 LEU 6 -1.304 4.029 6.137 41 HG LEU 6 HG LEU 6 0.667 2.448 6.496 42 HD11 LEU 6 HD11 LEU 6 0.767 4.095 9.017 43 HD12 LEU 6 HD12 LEU 6 2.097 3.588 7.975 44 HD13 LEU 6 HD13 LEU 6 1.302 2.415 9.024 45 HD21 LEU 6 HD21 LEU 6 -0.525 1.234 8.365 46 HD22 LEU 6 HD22 LEU 6 -1.578 1.728 7.038 47 HD23 LEU 6 HD23 LEU 6 -1.562 2.650 8.541 48 H CYS 7 HN CYS 7 2.784 6.143 5.335 49 HA CYS 7 HA CYS 7 3.620 6.703 8.049 50 HB2 CYS 7 HB2 CYS 7 5.407 8.023 6.484 51 HB3 CYS 7 HB1 CYS 7 5.534 6.313 6.895 52 H ALA 8 HN ALA 8 2.856 8.652 5.160 53 HA ALA 8 HA ALA 8 2.176 10.886 6.974 54 HB1 ALA 8 HB1 ALA 8 3.177 12.457 5.501 55 HB2 ALA 8 HB2 ALA 8 3.367 11.254 4.227 56 HB3 ALA 8 HB3 ALA 8 4.362 11.163 5.680 Start of MODEL 5 1 H1 PHE 1 H1 PHE 1 15.447 7.636 1.723 2 H2 PHE 1 H2 PHE 1 14.798 8.518 3.023 3 H3 PHE 1 H3 PHE 1 14.201 8.754 1.450 4 HA PHE 1 HA PHE 1 13.155 6.676 1.393 5 HB2 PHE 1 HB2 PHE 1 15.232 5.646 2.595 6 HB3 PHE 1 HB1 PHE 1 14.323 5.958 4.073 7 HD1 PHE 1 HD1 PHE 1 12.697 4.429 4.793 8 HD2 PHE 1 HD2 PHE 1 13.968 4.389 0.690 9 HE1 PHE 1 HE1 PHE 1 11.342 2.391 4.393 10 HE2 PHE 1 HE2 PHE 1 12.614 2.351 0.290 11 HZ PHE 1 HZ PHE 1 11.301 1.351 2.142 12 H SER 2 HN SER 2 11.102 7.267 1.782 13 HA SER 2 HA SER 2 10.178 7.698 4.484 14 HB2 SER 2 HB2 SER 2 9.164 9.978 3.204 15 HB3 SER 2 HB1 SER 2 10.350 9.932 4.505 16 HG SER 2 HG SER 2 11.215 11.014 2.735 17 H DAL 3 HN DAL 3 7.877 7.747 4.639 18 HA DAL 3 HA DAL 3 6.103 7.724 2.461 19 HB1 DAL 3 HB1 DAL 3 5.746 6.364 5.141 20 HB2 DAL 3 HB2 DAL 3 4.466 6.833 4.024 21 H LEU 4 HN LEU 4 4.537 5.560 2.534 22 HA LEU 4 HA LEU 4 5.654 3.724 0.820 23 HB2 LEU 4 HB2 LEU 4 6.744 3.301 3.377 24 HB3 LEU 4 HB1 LEU 4 5.553 2.024 3.148 25 HG LEU 4 HG LEU 4 6.603 1.696 0.821 26 HD11 LEU 4 HD11 LEU 4 8.981 2.391 0.680 27 HD12 LEU 4 HD12 LEU 4 8.800 3.273 2.195 28 HD13 LEU 4 HD13 LEU 4 7.898 3.779 0.765 29 HD21 LEU 4 HD21 LEU 4 7.122 -0.095 2.150 30 HD22 LEU 4 HD22 LEU 4 7.641 0.925 3.492 31 HD23 LEU 4 HD23 LEU 4 8.730 0.631 2.136 32 H ALA 5 HN ALA 5 3.660 3.533 3.784 33 HA ALA 5 HA ALA 5 1.393 2.841 2.069 34 HB1 ALA 5 HB1 ALA 5 0.892 1.001 3.834 35 HB2 ALA 5 HB2 ALA 5 2.620 1.103 4.174 36 HB3 ALA 5 HB3 ALA 5 2.064 0.674 2.557 37 H LEU 6 HN LEU 6 2.620 3.702 5.266 38 HA LEU 6 HA LEU 6 0.212 5.305 5.710 39 HB2 LEU 6 HB2 LEU 6 0.523 4.253 8.207 40 HB3 LEU 6 HB1 LEU 6 -0.656 3.679 7.027 41 HG LEU 6 HG LEU 6 1.034 2.046 6.188 42 HD11 LEU 6 HD11 LEU 6 2.628 2.952 8.606 43 HD12 LEU 6 HD12 LEU 6 3.030 3.351 6.936 44 HD13 LEU 6 HD13 LEU 6 3.075 1.672 7.478 45 HD21 LEU 6 HD21 LEU 6 0.676 1.773 9.181 46 HD22 LEU 6 HD22 LEU 6 0.735 0.488 7.975 47 HD23 LEU 6 HD23 LEU 6 -0.660 1.565 8.048 48 H CYS 7 HN CYS 7 2.157 6.756 5.146 49 HA CYS 7 HA CYS 7 4.315 7.171 6.848 50 HB2 CYS 7 HB2 CYS 7 3.067 8.560 4.683 51 HB3 CYS 7 HB1 CYS 7 3.399 9.718 5.970 52 H ALA 8 HN ALA 8 0.959 8.103 7.193 53 HA ALA 8 HA ALA 8 1.006 10.084 9.082 54 HB1 ALA 8 HB1 ALA 8 -1.006 8.840 8.048 55 HB2 ALA 8 HB2 ALA 8 -1.165 9.425 9.704 56 HB3 ALA 8 HB3 ALA 8 -0.831 7.721 9.399 Start of MODEL 6 1 H1 PHE 1 H1 PHE 1 13.878 8.998 0.785 2 H2 PHE 1 H2 PHE 1 14.928 7.892 0.037 3 H3 PHE 1 H3 PHE 1 15.113 8.263 1.685 4 HA PHE 1 HA PHE 1 12.939 6.718 0.399 5 HB2 PHE 1 HB2 PHE 1 14.925 5.432 0.961 6 HB3 PHE 1 HB1 PHE 1 14.959 6.130 2.580 7 HD1 PHE 1 HD1 PHE 1 13.900 5.007 4.333 8 HD2 PHE 1 HD2 PHE 1 12.675 4.231 0.289 9 HE1 PHE 1 HE1 PHE 1 12.369 3.230 5.138 10 HE2 PHE 1 HE2 PHE 1 11.143 2.455 1.094 11 HZ PHE 1 HZ PHE 1 10.990 1.955 3.519 12 H SER 2 HN SER 2 11.008 7.443 1.087 13 HA SER 2 HA SER 2 10.448 7.568 3.916 14 HB2 SER 2 HB2 SER 2 10.966 9.779 4.058 15 HB3 SER 2 HB1 SER 2 10.838 10.026 2.319 16 HG SER 2 HG SER 2 9.104 11.050 3.180 17 H DAL 3 HN DAL 3 8.207 7.582 4.367 18 HA DAL 3 HA DAL 3 6.198 7.890 2.386 19 HB1 DAL 3 HB1 DAL 3 6.131 7.821 5.065 20 HB2 DAL 3 HB2 DAL 3 5.675 6.149 4.742 21 H LEU 4 HN LEU 4 4.758 5.403 3.246 22 HA LEU 4 HA LEU 4 5.760 3.697 1.114 23 HB2 LEU 4 HB2 LEU 4 6.094 3.052 3.971 24 HB3 LEU 4 HB1 LEU 4 5.397 1.762 2.988 25 HG LEU 4 HG LEU 4 7.828 3.261 2.036 26 HD11 LEU 4 HD11 LEU 4 7.632 1.194 4.187 27 HD12 LEU 4 HD12 LEU 4 8.769 2.531 4.016 28 HD13 LEU 4 HD13 LEU 4 8.970 1.074 3.045 29 HD21 LEU 4 HD21 LEU 4 7.782 1.717 0.386 30 HD22 LEU 4 HD22 LEU 4 6.190 1.247 0.984 31 HD23 LEU 4 HD23 LEU 4 7.628 0.396 1.544 32 H ALA 5 HN ALA 5 3.549 3.259 3.892 33 HA ALA 5 HA ALA 5 1.318 3.177 1.997 34 HB1 ALA 5 HB1 ALA 5 1.719 0.898 2.031 35 HB2 ALA 5 HB2 ALA 5 0.575 1.070 3.362 36 HB3 ALA 5 HB3 ALA 5 2.300 0.919 3.696 37 H LEU 6 HN LEU 6 2.636 3.832 5.076 38 HA LEU 6 HA LEU 6 0.160 5.131 5.898 39 HB2 LEU 6 HB2 LEU 6 0.273 4.071 8.166 40 HB3 LEU 6 HB1 LEU 6 -0.162 2.947 6.877 41 HG LEU 6 HG LEU 6 2.736 3.169 7.295 42 HD11 LEU 6 HD11 LEU 6 2.052 3.449 9.628 43 HD12 LEU 6 HD12 LEU 6 2.700 1.825 9.395 44 HD13 LEU 6 HD13 LEU 6 0.957 2.072 9.496 45 HD21 LEU 6 HD21 LEU 6 2.426 0.648 7.342 46 HD22 LEU 6 HD22 LEU 6 1.822 1.441 5.887 47 HD23 LEU 6 HD23 LEU 6 0.696 0.932 7.145 48 H CYS 7 HN CYS 7 2.105 6.633 5.145 49 HA CYS 7 HA CYS 7 4.263 7.124 6.874 50 HB2 CYS 7 HB2 CYS 7 2.837 9.250 5.274 51 HB3 CYS 7 HB1 CYS 7 4.543 9.180 5.712 52 H ALA 8 HN ALA 8 0.901 8.049 7.032 53 HA ALA 8 HA ALA 8 0.740 10.208 8.633 54 HB1 ALA 8 HB1 ALA 8 -0.744 7.643 9.241 55 HB2 ALA 8 HB2 ALA 8 -1.181 8.755 7.944 56 HB3 ALA 8 HB3 ALA 8 -1.261 9.285 9.624 Start of MODEL 7 1 H1 PHE 1 H1 PHE 1 13.357 10.099 6.069 2 H2 PHE 1 H2 PHE 1 11.733 9.911 6.530 3 H3 PHE 1 H3 PHE 1 12.127 10.803 5.138 4 HA PHE 1 HA PHE 1 13.128 8.701 4.220 5 HB2 PHE 1 HB2 PHE 1 13.321 7.429 6.256 6 HB3 PHE 1 HB1 PHE 1 11.608 7.643 6.615 7 HD1 PHE 1 HD1 PHE 1 10.332 5.733 6.267 8 HD2 PHE 1 HD2 PHE 1 13.623 6.558 3.632 9 HE1 PHE 1 HE1 PHE 1 9.802 3.689 4.966 10 HE2 PHE 1 HE2 PHE 1 13.092 4.513 2.331 11 HZ PHE 1 HZ PHE 1 11.182 3.080 2.998 12 H SER 2 HN SER 2 11.974 8.386 2.407 13 HA SER 2 HA SER 2 9.573 9.543 1.803 14 HB2 SER 2 HB2 SER 2 9.579 7.145 0.335 15 HB3 SER 2 HB1 SER 2 10.207 8.709 -0.175 16 HG SER 2 HG SER 2 11.532 6.499 0.932 17 H DAL 3 HN DAL 3 7.430 8.627 1.423 18 HA DAL 3 HA DAL 3 5.521 7.562 2.129 19 HB1 DAL 3 HB1 DAL 3 6.353 8.596 4.311 20 HB2 DAL 3 HB2 DAL 3 6.993 7.000 4.703 21 H LEU 4 HN LEU 4 4.606 5.519 2.201 22 HA LEU 4 HA LEU 4 5.926 3.398 1.050 23 HB2 LEU 4 HB2 LEU 4 6.810 3.637 3.709 24 HB3 LEU 4 HB1 LEU 4 5.685 2.282 3.702 25 HG LEU 4 HG LEU 4 6.950 1.521 1.564 26 HD11 LEU 4 HD11 LEU 4 8.256 3.536 1.192 27 HD12 LEU 4 HD12 LEU 4 9.356 2.223 1.609 28 HD13 LEU 4 HD13 LEU 4 8.938 3.437 2.816 29 HD21 LEU 4 HD21 LEU 4 8.941 0.972 3.479 30 HD22 LEU 4 HD22 LEU 4 7.535 -0.022 3.103 31 HD23 LEU 4 HD23 LEU 4 7.450 1.169 4.401 32 H ALA 5 HN ALA 5 3.704 3.785 3.822 33 HA ALA 5 HA ALA 5 1.605 2.619 2.154 34 HB1 ALA 5 HB1 ALA 5 1.332 0.737 3.365 35 HB2 ALA 5 HB2 ALA 5 1.702 1.544 4.890 36 HB3 ALA 5 HB3 ALA 5 3.010 1.013 3.831 37 H LEU 6 HN LEU 6 2.279 3.703 5.490 38 HA LEU 6 HA LEU 6 0.170 5.709 5.261 39 HB2 LEU 6 HB2 LEU 6 0.067 3.370 7.166 40 HB3 LEU 6 HB1 LEU 6 -0.776 4.881 7.503 41 HG LEU 6 HG LEU 6 -1.511 4.388 4.893 42 HD11 LEU 6 HD11 LEU 6 -0.457 2.163 4.953 43 HD12 LEU 6 HD12 LEU 6 -2.211 2.015 4.844 44 HD13 LEU 6 HD13 LEU 6 -1.398 1.750 6.387 45 HD21 LEU 6 HD21 LEU 6 -2.861 3.523 7.470 46 HD22 LEU 6 HD22 LEU 6 -3.675 3.663 5.912 47 HD23 LEU 6 HD23 LEU 6 -3.009 5.098 6.691 48 H CYS 7 HN CYS 7 2.640 6.525 5.354 49 HA CYS 7 HA CYS 7 3.720 6.717 8.021 50 HB2 CYS 7 HB2 CYS 7 4.819 8.734 6.336 51 HB3 CYS 7 HB1 CYS 7 5.568 7.229 6.868 52 H ALA 8 HN ALA 8 2.070 8.930 5.782 53 HA ALA 8 HA ALA 8 2.115 11.232 7.370 54 HB1 ALA 8 HB1 ALA 8 0.383 10.223 5.160 55 HB2 ALA 8 HB2 ALA 8 1.357 11.690 5.245 56 HB3 ALA 8 HB3 ALA 8 -0.187 11.606 6.092 Start of MODEL 8 1 H1 PHE 1 H1 PHE 1 9.338 3.053 9.646 2 H2 PHE 1 H2 PHE 1 10.481 3.430 8.447 3 H3 PHE 1 H3 PHE 1 9.937 1.831 8.635 4 HA PHE 1 HA PHE 1 8.761 2.565 6.795 5 HB2 PHE 1 HB2 PHE 1 7.356 2.425 9.364 6 HB3 PHE 1 HB1 PHE 1 6.472 3.347 8.149 7 HD1 PHE 1 HD1 PHE 1 8.341 0.135 8.601 8 HD2 PHE 1 HD2 PHE 1 5.232 2.226 6.500 9 HE1 PHE 1 HE1 PHE 1 7.678 -1.974 7.483 10 HE2 PHE 1 HE2 PHE 1 4.568 0.114 5.382 11 HZ PHE 1 HZ PHE 1 5.791 -1.985 5.872 12 H SER 2 HN SER 2 9.471 4.350 5.712 13 HA SER 2 HA SER 2 8.363 6.944 6.591 14 HB2 SER 2 HB2 SER 2 11.115 6.232 6.302 15 HB3 SER 2 HB1 SER 2 10.708 7.394 5.044 16 HG SER 2 HG SER 2 11.016 7.769 7.695 17 H DAL 3 HN DAL 3 6.717 7.183 5.179 18 HA DAL 3 HA DAL 3 7.244 7.822 2.474 19 HB1 DAL 3 HB1 DAL 3 4.489 7.010 3.219 20 HB2 DAL 3 HB2 DAL 3 5.055 8.454 2.384 21 H LEU 4 HN LEU 4 4.905 5.334 3.437 22 HA LEU 4 HA LEU 4 5.765 3.722 1.143 23 HB2 LEU 4 HB2 LEU 4 6.098 2.985 3.973 24 HB3 LEU 4 HB1 LEU 4 5.347 1.746 2.965 25 HG LEU 4 HG LEU 4 7.816 3.184 2.018 26 HD11 LEU 4 HD11 LEU 4 8.621 2.368 4.078 27 HD12 LEU 4 HD12 LEU 4 9.003 1.068 2.949 28 HD13 LEU 4 HD13 LEU 4 7.601 0.931 4.010 29 HD21 LEU 4 HD21 LEU 4 6.514 1.788 0.439 30 HD22 LEU 4 HD22 LEU 4 6.664 0.416 1.536 31 HD23 LEU 4 HD23 LEU 4 8.098 1.081 0.755 32 H ALA 5 HN ALA 5 3.542 3.253 3.907 33 HA ALA 5 HA ALA 5 1.316 3.261 2.000 34 HB1 ALA 5 HB1 ALA 5 2.401 0.932 3.429 35 HB2 ALA 5 HB2 ALA 5 1.393 1.004 1.983 36 HB3 ALA 5 HB3 ALA 5 0.656 1.136 3.580 37 H LEU 6 HN LEU 6 2.611 3.729 5.148 38 HA LEU 6 HA LEU 6 0.130 5.060 5.968 39 HB2 LEU 6 HB2 LEU 6 0.295 4.029 8.237 40 HB3 LEU 6 HB1 LEU 6 -0.101 2.865 6.972 41 HG LEU 6 HG LEU 6 2.786 3.310 7.590 42 HD11 LEU 6 HD11 LEU 6 0.794 1.935 9.391 43 HD12 LEU 6 HD12 LEU 6 2.072 3.070 9.827 44 HD13 LEU 6 HD13 LEU 6 2.482 1.424 9.344 45 HD21 LEU 6 HD21 LEU 6 1.031 0.971 6.792 46 HD22 LEU 6 HD22 LEU 6 2.743 0.802 7.180 47 HD23 LEU 6 HD23 LEU 6 2.244 1.789 5.806 48 H CYS 7 HN CYS 7 2.092 6.520 5.118 49 HA CYS 7 HA CYS 7 3.422 7.518 7.557 50 HB2 CYS 7 HB2 CYS 7 5.447 7.259 6.645 51 HB3 CYS 7 HB1 CYS 7 4.697 6.421 5.292 52 H ALA 8 HN ALA 8 2.931 8.569 4.155 53 HA ALA 8 HA ALA 8 2.293 11.253 5.170 54 HB1 ALA 8 HB1 ALA 8 2.660 12.003 2.877 55 HB2 ALA 8 HB2 ALA 8 2.846 10.333 2.340 56 HB3 ALA 8 HB3 ALA 8 4.038 11.049 3.425 Start of MODEL 9 1 H1 PHE 1 H1 PHE 1 13.132 2.824 5.653 2 H2 PHE 1 H2 PHE 1 13.092 3.434 7.238 3 H3 PHE 1 H3 PHE 1 12.942 4.488 5.914 4 HA PHE 1 HA PHE 1 10.910 2.896 5.389 5 HB2 PHE 1 HB2 PHE 1 11.740 2.215 8.045 6 HB3 PHE 1 HB1 PHE 1 10.179 3.029 8.147 7 HD1 PHE 1 HD1 PHE 1 8.492 1.422 8.348 8 HD2 PHE 1 HD2 PHE 1 11.690 0.780 5.553 9 HE1 PHE 1 HE1 PHE 1 7.370 -0.635 7.536 10 HE2 PHE 1 HE2 PHE 1 10.567 -1.276 4.741 11 HZ PHE 1 HZ PHE 1 8.407 -1.984 5.732 12 H SER 2 HN SER 2 9.357 4.332 4.889 13 HA SER 2 HA SER 2 8.563 6.475 6.594 14 HB2 SER 2 HB2 SER 2 10.507 7.641 5.948 15 HB3 SER 2 HB1 SER 2 10.406 7.071 4.285 16 HG SER 2 HG SER 2 9.656 9.187 4.396 17 H DAL 3 HN DAL 3 8.202 7.889 3.716 18 HA DAL 3 HA DAL 3 6.555 7.977 2.117 19 HB1 DAL 3 HB1 DAL 3 4.551 6.622 3.797 20 HB2 DAL 3 HB2 DAL 3 4.507 8.218 3.051 21 H LEU 4 HN LEU 4 5.271 5.096 3.718 22 HA LEU 4 HA LEU 4 5.947 3.533 1.300 23 HB2 LEU 4 HB2 LEU 4 6.083 2.903 4.169 24 HB3 LEU 4 HB1 LEU 4 5.341 1.647 3.174 25 HG LEU 4 HG LEU 4 7.296 1.716 1.654 26 HD11 LEU 4 HD11 LEU 4 7.847 4.109 3.189 27 HD12 LEU 4 HD12 LEU 4 8.609 3.548 1.700 28 HD13 LEU 4 HD13 LEU 4 9.222 3.006 3.263 29 HD21 LEU 4 HD21 LEU 4 8.891 1.239 3.943 30 HD22 LEU 4 HD22 LEU 4 8.000 0.048 2.997 31 HD23 LEU 4 HD23 LEU 4 7.243 0.807 4.398 32 H ALA 5 HN ALA 5 3.545 3.249 3.930 33 HA ALA 5 HA ALA 5 1.436 3.254 1.902 34 HB1 ALA 5 HB1 ALA 5 0.468 1.202 3.024 35 HB2 ALA 5 HB2 ALA 5 2.027 1.013 3.828 36 HB3 ALA 5 HB3 ALA 5 1.926 0.932 2.069 37 H LEU 6 HN LEU 6 2.584 3.782 5.098 38 HA LEU 6 HA LEU 6 0.199 5.322 5.725 39 HB2 LEU 6 HB2 LEU 6 -0.098 4.226 7.929 40 HB3 LEU 6 HB1 LEU 6 -0.409 3.121 6.589 41 HG LEU 6 HG LEU 6 2.404 3.150 7.394 42 HD11 LEU 6 HD11 LEU 6 1.636 3.506 9.625 43 HD12 LEU 6 HD12 LEU 6 1.874 1.764 9.483 44 HD13 LEU 6 HD13 LEU 6 0.249 2.442 9.393 45 HD21 LEU 6 HD21 LEU 6 1.368 1.478 5.898 46 HD22 LEU 6 HD22 LEU 6 0.290 0.977 7.200 47 HD23 LEU 6 HD23 LEU 6 2.027 0.706 7.340 48 H CYS 7 HN CYS 7 2.178 6.757 5.268 49 HA CYS 7 HA CYS 7 4.318 6.960 7.073 50 HB2 CYS 7 HB2 CYS 7 3.169 8.559 4.933 51 HB3 CYS 7 HB1 CYS 7 3.786 9.566 6.242 52 H ALA 8 HN ALA 8 1.032 8.203 7.217 53 HA ALA 8 HA ALA 8 1.592 9.720 9.647 54 HB1 ALA 8 HB1 ALA 8 -0.115 10.221 7.635 55 HB2 ALA 8 HB2 ALA 8 -0.396 10.785 9.282 56 HB3 ALA 8 HB3 ALA 8 -1.196 9.324 8.702 Start of MODEL 10 1 H1 PHE 1 H1 PHE 1 13.391 2.465 5.716 2 H2 PHE 1 H2 PHE 1 12.821 0.882 5.474 3 H3 PHE 1 H3 PHE 1 12.035 1.912 6.573 4 HA PHE 1 HA PHE 1 12.206 2.369 3.646 5 HB2 PHE 1 HB2 PHE 1 10.686 0.466 4.908 6 HB3 PHE 1 HB1 PHE 1 9.594 1.852 4.910 7 HD1 PHE 1 HD1 PHE 1 9.378 3.164 2.657 8 HD2 PHE 1 HD2 PHE 1 10.886 -0.845 2.977 9 HE1 PHE 1 HE1 PHE 1 8.899 2.792 0.250 10 HE2 PHE 1 HE2 PHE 1 10.408 -1.217 0.573 11 HZ PHE 1 HZ PHE 1 9.415 0.601 -0.790 12 H SER 2 HN SER 2 11.501 4.344 3.014 13 HA SER 2 HA SER 2 10.631 6.195 5.143 14 HB2 SER 2 HB2 SER 2 12.759 6.593 3.693 15 HB3 SER 2 HB1 SER 2 11.608 7.078 2.452 16 HG SER 2 HG SER 2 12.249 8.267 4.889 17 H DAL 3 HN DAL 3 8.467 6.261 5.159 18 HA DAL 3 HA DAL 3 6.973 7.506 3.170 19 HB1 DAL 3 HB1 DAL 3 6.380 7.010 5.642 20 HB2 DAL 3 HB2 DAL 3 5.746 5.483 5.027 21 H LEU 4 HN LEU 4 4.758 5.420 3.198 22 HA LEU 4 HA LEU 4 5.222 4.367 0.627 23 HB2 LEU 4 HB2 LEU 4 6.689 2.732 1.267 24 HB3 LEU 4 HB1 LEU 4 6.059 2.649 2.907 25 HG LEU 4 HG LEU 4 4.099 1.423 2.146 26 HD11 LEU 4 HD11 LEU 4 3.381 1.946 0.061 27 HD12 LEU 4 HD12 LEU 4 4.559 0.762 -0.505 28 HD13 LEU 4 HD13 LEU 4 4.986 2.472 -0.447 29 HD21 LEU 4 HD21 LEU 4 5.797 -0.127 2.568 30 HD22 LEU 4 HD22 LEU 4 6.804 0.465 1.246 31 HD23 LEU 4 HD23 LEU 4 5.379 -0.516 0.900 32 H ALA 5 HN ALA 5 3.676 3.110 3.588 33 HA ALA 5 HA ALA 5 1.082 3.608 2.328 34 HB1 ALA 5 HB1 ALA 5 1.774 1.307 1.731 35 HB2 ALA 5 HB2 ALA 5 0.332 1.339 2.746 36 HB3 ALA 5 HB3 ALA 5 1.896 0.924 3.447 37 H LEU 6 HN LEU 6 2.991 4.147 4.833 38 HA LEU 6 HA LEU 6 0.738 4.295 6.722 39 HB2 LEU 6 HB2 LEU 6 3.533 3.321 7.352 40 HB3 LEU 6 HB1 LEU 6 2.303 3.685 8.562 41 HG LEU 6 HG LEU 6 0.862 2.049 6.987 42 HD11 LEU 6 HD11 LEU 6 2.076 0.554 5.755 43 HD12 LEU 6 HD12 LEU 6 3.411 0.536 6.907 44 HD13 LEU 6 HD13 LEU 6 3.271 1.851 5.740 45 HD21 LEU 6 HD21 LEU 6 1.081 1.649 9.335 46 HD22 LEU 6 HD22 LEU 6 2.813 1.353 9.194 47 HD23 LEU 6 HD23 LEU 6 1.664 0.182 8.548 48 H CYS 7 HN CYS 7 1.654 6.346 5.056 49 HA CYS 7 HA CYS 7 2.284 8.363 7.017 50 HB2 CYS 7 HB2 CYS 7 4.328 9.160 5.803 51 HB3 CYS 7 HB1 CYS 7 4.540 7.608 6.616 52 H ALA 8 HN ALA 8 2.693 7.941 3.491 53 HA ALA 8 HA ALA 8 1.420 10.474 2.953 54 HB1 ALA 8 HB1 ALA 8 2.964 8.491 1.481 55 HB2 ALA 8 HB2 ALA 8 2.785 10.220 1.184 56 HB3 ALA 8 HB3 ALA 8 1.592 9.087 0.548 Start of MODEL 11 1 H1 PHE 1 H1 PHE 1 12.670 6.585 -2.262 2 H2 PHE 1 H2 PHE 1 11.969 5.421 -3.281 3 H3 PHE 1 H3 PHE 1 11.839 5.267 -1.594 4 HA PHE 1 HA PHE 1 10.771 7.671 -2.902 5 HB2 PHE 1 HB2 PHE 1 8.699 6.590 -3.407 6 HB3 PHE 1 HB1 PHE 1 9.957 5.571 -4.106 7 HD1 PHE 1 HD1 PHE 1 10.999 3.850 -2.243 8 HD2 PHE 1 HD2 PHE 1 7.016 5.460 -2.270 9 HE1 PHE 1 HE1 PHE 1 10.219 1.945 -0.861 10 HE2 PHE 1 HE2 PHE 1 6.236 3.554 -0.889 11 HZ PHE 1 HZ PHE 1 7.837 1.797 -0.183 12 H SER 2 HN SER 2 10.127 8.952 -1.268 13 HA SER 2 HA SER 2 10.191 8.186 1.439 14 HB2 SER 2 HB2 SER 2 10.391 10.524 0.770 15 HB3 SER 2 HB1 SER 2 8.755 10.503 0.118 16 HG SER 2 HG SER 2 8.525 9.607 2.541 17 H DAL 3 HN DAL 3 8.379 8.107 2.956 18 HA DAL 3 HA DAL 3 5.689 7.840 2.185 19 HB1 DAL 3 HB1 DAL 3 6.820 8.055 4.559 20 HB2 DAL 3 HB2 DAL 3 6.757 6.293 4.514 21 H LEU 4 HN LEU 4 5.207 5.262 3.584 22 HA LEU 4 HA LEU 4 6.026 3.441 1.402 23 HB2 LEU 4 HB2 LEU 4 6.023 3.099 4.336 24 HB3 LEU 4 HB1 LEU 4 5.402 1.730 3.407 25 HG LEU 4 HG LEU 4 7.433 1.605 2.112 26 HD11 LEU 4 HD11 LEU 4 9.306 3.293 3.019 27 HD12 LEU 4 HD12 LEU 4 7.887 4.293 3.329 28 HD13 LEU 4 HD13 LEU 4 8.229 3.730 1.692 29 HD21 LEU 4 HD21 LEU 4 7.592 1.716 5.084 30 HD22 LEU 4 HD22 LEU 4 9.125 1.648 4.214 31 HD23 LEU 4 HD23 LEU 4 7.926 0.373 3.990 32 H ALA 5 HN ALA 5 3.542 3.353 3.968 33 HA ALA 5 HA ALA 5 1.491 3.211 1.892 34 HB1 ALA 5 HB1 ALA 5 1.678 0.938 2.086 35 HB2 ALA 5 HB2 ALA 5 0.575 1.237 3.429 36 HB3 ALA 5 HB3 ALA 5 2.299 1.021 3.734 37 H LEU 6 HN LEU 6 2.488 3.719 5.182 38 HA LEU 6 HA LEU 6 0.155 5.405 5.632 39 HB2 LEU 6 HB2 LEU 6 -0.229 4.296 7.881 40 HB3 LEU 6 HB1 LEU 6 -0.730 3.354 6.477 41 HG LEU 6 HG LEU 6 2.008 3.050 7.725 42 HD11 LEU 6 HD11 LEU 6 1.216 1.319 9.118 43 HD12 LEU 6 HD12 LEU 6 -0.314 1.197 8.248 44 HD13 LEU 6 HD13 LEU 6 -0.002 2.582 9.296 45 HD21 LEU 6 HD21 LEU 6 2.165 1.929 5.731 46 HD22 LEU 6 HD22 LEU 6 0.419 1.730 5.585 47 HD23 LEU 6 HD23 LEU 6 1.344 0.659 6.636 48 H CYS 7 HN CYS 7 2.188 6.786 5.372 49 HA CYS 7 HA CYS 7 3.454 7.126 8.026 50 HB2 CYS 7 HB2 CYS 7 5.376 8.140 6.617 51 HB3 CYS 7 HB1 CYS 7 5.226 6.384 6.676 52 H ALA 8 HN ALA 8 3.378 8.996 4.994 53 HA ALA 8 HA ALA 8 3.162 11.494 6.334 54 HB1 ALA 8 HB1 ALA 8 2.869 12.441 4.119 55 HB2 ALA 8 HB2 ALA 8 2.484 10.854 3.454 56 HB3 ALA 8 HB3 ALA 8 4.111 11.190 4.046 Start of MODEL 12 1 H1 PHE 1 H1 PHE 1 14.174 4.648 6.716 2 H2 PHE 1 H2 PHE 1 13.763 6.267 7.026 3 H3 PHE 1 H3 PHE 1 15.102 5.900 6.047 4 HA PHE 1 HA PHE 1 13.442 6.520 4.552 5 HB2 PHE 1 HB2 PHE 1 13.392 4.645 3.203 6 HB3 PHE 1 HB1 PHE 1 14.631 4.144 4.353 7 HD1 PHE 1 HD1 PHE 1 11.358 3.453 3.007 8 HD2 PHE 1 HD2 PHE 1 13.924 2.755 6.379 9 HE1 PHE 1 HE1 PHE 1 9.949 1.527 3.679 10 HE2 PHE 1 HE2 PHE 1 12.517 0.827 7.051 11 HZ PHE 1 HZ PHE 1 10.528 0.212 5.701 12 H SER 2 HN SER 2 11.332 6.995 4.226 13 HA SER 2 HA SER 2 9.266 5.509 5.678 14 HB2 SER 2 HB2 SER 2 10.080 8.304 6.222 15 HB3 SER 2 HB1 SER 2 8.346 8.017 6.090 16 HG SER 2 HG SER 2 9.256 6.036 7.502 17 H DAL 3 HN DAL 3 7.040 6.691 5.073 18 HA DAL 3 HA DAL 3 6.972 7.825 2.424 19 HB1 DAL 3 HB1 DAL 3 4.508 6.720 3.673 20 HB2 DAL 3 HB2 DAL 3 4.760 8.256 2.844 21 H LEU 4 HN LEU 4 5.216 4.991 3.674 22 HA LEU 4 HA LEU 4 5.820 3.612 1.127 23 HB2 LEU 4 HB2 LEU 4 5.297 1.529 2.696 24 HB3 LEU 4 HB1 LEU 4 6.915 2.213 2.574 25 HG LEU 4 HG LEU 4 5.011 3.320 4.614 26 HD11 LEU 4 HD11 LEU 4 4.943 0.859 4.894 27 HD12 LEU 4 HD12 LEU 4 5.789 1.636 6.232 28 HD13 LEU 4 HD13 LEU 4 6.706 0.827 4.961 29 HD21 LEU 4 HD21 LEU 4 7.049 4.524 4.470 30 HD22 LEU 4 HD22 LEU 4 8.001 3.054 4.271 31 HD23 LEU 4 HD23 LEU 4 7.289 3.437 5.836 32 H ALA 5 HN ALA 5 3.554 3.071 3.812 33 HA ALA 5 HA ALA 5 1.331 3.455 1.949 34 HB1 ALA 5 HB1 ALA 5 2.162 0.896 3.206 35 HB2 ALA 5 HB2 ALA 5 1.372 1.191 1.658 36 HB3 ALA 5 HB3 ALA 5 0.434 1.243 3.150 37 H LEU 6 HN LEU 6 2.749 3.887 4.936 38 HA LEU 6 HA LEU 6 0.289 5.023 6.022 39 HB2 LEU 6 HB2 LEU 6 1.650 2.620 7.107 40 HB3 LEU 6 HB1 LEU 6 1.144 3.837 8.279 41 HG LEU 6 HG LEU 6 -0.822 3.091 6.168 42 HD11 LEU 6 HD11 LEU 6 -0.331 0.875 6.662 43 HD12 LEU 6 HD12 LEU 6 -1.514 1.231 7.922 44 HD13 LEU 6 HD13 LEU 6 0.208 1.253 8.298 45 HD21 LEU 6 HD21 LEU 6 -0.905 4.717 8.325 46 HD22 LEU 6 HD22 LEU 6 -1.445 3.215 9.075 47 HD23 LEU 6 HD23 LEU 6 -2.331 3.885 7.707 48 H CYS 7 HN CYS 7 1.803 6.858 5.356 49 HA CYS 7 HA CYS 7 4.078 7.308 7.098 50 HB2 CYS 7 HB2 CYS 7 3.056 8.428 4.627 51 HB3 CYS 7 HB1 CYS 7 3.489 9.700 5.770 52 H ALA 8 HN ALA 8 0.899 7.428 7.669 53 HA ALA 8 HA ALA 8 0.478 9.988 8.815 54 HB1 ALA 8 HB1 ALA 8 -1.433 8.642 8.300 55 HB2 ALA 8 HB2 ALA 8 -1.382 8.804 10.055 56 HB3 ALA 8 HB3 ALA 8 -0.838 7.310 9.292 Start of MODEL 13 1 H1 PHE 1 H1 PHE 1 9.385 0.885 8.405 2 H2 PHE 1 H2 PHE 1 10.767 1.325 7.522 3 H3 PHE 1 H3 PHE 1 10.177 -0.266 7.445 4 HA PHE 1 HA PHE 1 9.594 0.944 5.444 5 HB2 PHE 1 HB2 PHE 1 7.562 -0.052 7.381 6 HB3 PHE 1 HB1 PHE 1 6.959 0.828 5.976 7 HD1 PHE 1 HD1 PHE 1 5.958 -1.048 4.830 8 HD2 PHE 1 HD2 PHE 1 10.088 -1.150 6.008 9 HE1 PHE 1 HE1 PHE 1 6.310 -3.057 3.420 10 HE2 PHE 1 HE2 PHE 1 10.440 -3.160 4.599 11 HZ PHE 1 HZ PHE 1 8.551 -4.114 3.305 12 H SER 2 HN SER 2 10.052 3.066 5.090 13 HA SER 2 HA SER 2 8.453 5.083 6.542 14 HB2 SER 2 HB2 SER 2 10.602 6.206 4.983 15 HB3 SER 2 HB1 SER 2 10.331 6.288 6.722 16 HG SER 2 HG SER 2 11.602 4.223 5.244 17 H DAL 3 HN DAL 3 7.359 6.680 5.410 18 HA DAL 3 HA DAL 3 7.397 7.545 2.887 19 HB1 DAL 3 HB1 DAL 3 4.668 7.013 3.216 20 HB2 DAL 3 HB2 DAL 3 5.525 8.481 3.684 21 H LEU 4 HN LEU 4 4.985 5.022 3.463 22 HA LEU 4 HA LEU 4 5.492 3.964 0.781 23 HB2 LEU 4 HB2 LEU 4 6.103 2.553 3.297 24 HB3 LEU 4 HB1 LEU 4 5.174 1.620 2.120 25 HG LEU 4 HG LEU 4 7.595 3.173 1.242 26 HD11 LEU 4 HD11 LEU 4 7.587 0.362 2.385 27 HD12 LEU 4 HD12 LEU 4 8.305 1.774 3.158 28 HD13 LEU 4 HD13 LEU 4 8.967 1.169 1.640 29 HD21 LEU 4 HD21 LEU 4 7.413 1.905 -0.668 30 HD22 LEU 4 HD22 LEU 4 5.728 1.820 -0.157 31 HD23 LEU 4 HD23 LEU 4 6.827 0.489 0.204 32 H ALA 5 HN ALA 5 3.613 2.935 3.638 33 HA ALA 5 HA ALA 5 1.164 3.521 2.150 34 HB1 ALA 5 HB1 ALA 5 0.280 1.269 2.707 35 HB2 ALA 5 HB2 ALA 5 1.876 0.824 3.315 36 HB3 ALA 5 HB3 ALA 5 1.658 1.208 1.608 37 H LEU 6 HN LEU 6 2.856 4.192 4.700 38 HA LEU 6 HA LEU 6 0.611 4.048 6.612 39 HB2 LEU 6 HB2 LEU 6 3.495 3.608 6.902 40 HB3 LEU 6 HB1 LEU 6 2.824 4.705 8.110 41 HG LEU 6 HG LEU 6 2.715 2.342 8.857 42 HD11 LEU 6 HD11 LEU 6 0.841 2.925 9.960 43 HD12 LEU 6 HD12 LEU 6 -0.130 2.682 8.508 44 HD13 LEU 6 HD13 LEU 6 0.621 4.248 8.816 45 HD21 LEU 6 HD21 LEU 6 1.905 0.671 7.545 46 HD22 LEU 6 HD22 LEU 6 2.123 1.813 6.218 47 HD23 LEU 6 HD23 LEU 6 0.545 1.649 6.989 48 H CYS 7 HN CYS 7 3.536 6.050 6.400 49 HA CYS 7 HA CYS 7 2.648 8.369 7.479 50 HB2 CYS 7 HB2 CYS 7 4.097 9.126 5.145 51 HB3 CYS 7 HB1 CYS 7 4.683 9.016 6.802 52 H ALA 8 HN ALA 8 2.111 7.300 4.140 53 HA ALA 8 HA ALA 8 0.660 9.665 3.392 54 HB1 ALA 8 HB1 ALA 8 1.546 7.188 2.117 55 HB2 ALA 8 HB2 ALA 8 1.304 8.790 1.419 56 HB3 ALA 8 HB3 ALA 8 -0.063 7.689 1.593 Start of MODEL 14 1 H1 PHE 1 H1 PHE 1 13.559 7.412 -0.056 2 H2 PHE 1 H2 PHE 1 13.310 8.880 -0.874 3 H3 PHE 1 H3 PHE 1 13.414 7.425 -1.745 4 HA PHE 1 HA PHE 1 11.115 8.272 -1.497 5 HB2 PHE 1 HB2 PHE 1 10.262 6.123 -1.333 6 HB3 PHE 1 HB1 PHE 1 11.963 5.758 -1.620 7 HD1 PHE 1 HD1 PHE 1 13.218 4.538 -0.035 8 HD2 PHE 1 HD2 PHE 1 9.461 6.282 1.105 9 HE1 PHE 1 HE1 PHE 1 13.329 3.356 2.143 10 HE2 PHE 1 HE2 PHE 1 9.572 5.100 3.282 11 HZ PHE 1 HZ PHE 1 11.507 3.637 3.801 12 H SER 2 HN SER 2 9.602 9.124 -0.161 13 HA SER 2 HA SER 2 10.172 9.078 2.742 14 HB2 SER 2 HB2 SER 2 8.606 11.308 2.335 15 HB3 SER 2 HB1 SER 2 10.358 11.313 2.517 16 HG SER 2 HG SER 2 9.360 12.315 0.550 17 H DAL 3 HN DAL 3 8.834 7.183 2.906 18 HA DAL 3 HA DAL 3 5.951 7.717 2.536 19 HB1 DAL 3 HB1 DAL 3 6.716 7.938 4.933 20 HB2 DAL 3 HB2 DAL 3 7.132 6.225 4.885 21 H LEU 4 HN LEU 4 4.805 5.425 3.118 22 HA LEU 4 HA LEU 4 5.763 3.641 1.042 23 HB2 LEU 4 HB2 LEU 4 6.130 3.040 3.903 24 HB3 LEU 4 HB1 LEU 4 5.390 1.748 2.956 25 HG LEU 4 HG LEU 4 7.963 3.175 2.230 26 HD11 LEU 4 HD11 LEU 4 7.764 1.465 4.267 27 HD12 LEU 4 HD12 LEU 4 9.142 1.422 3.167 28 HD13 LEU 4 HD13 LEU 4 7.813 0.281 2.960 29 HD21 LEU 4 HD21 LEU 4 7.705 0.703 0.903 30 HD22 LEU 4 HD22 LEU 4 7.572 2.307 0.184 31 HD23 LEU 4 HD23 LEU 4 6.127 1.477 0.759 32 H ALA 5 HN ALA 5 3.586 3.299 3.860 33 HA ALA 5 HA ALA 5 1.332 3.217 1.992 34 HB1 ALA 5 HB1 ALA 5 0.561 1.104 2.737 35 HB2 ALA 5 HB2 ALA 5 1.734 1.060 4.055 36 HB3 ALA 5 HB3 ALA 5 2.277 0.892 2.385 37 H LEU 6 HN LEU 6 2.633 3.678 5.177 38 HA LEU 6 HA LEU 6 0.171 5.077 5.939 39 HB2 LEU 6 HB2 LEU 6 0.718 2.527 6.897 40 HB3 LEU 6 HB1 LEU 6 1.282 3.584 8.188 41 HG LEU 6 HG LEU 6 -1.436 3.842 6.878 42 HD11 LEU 6 HD11 LEU 6 -0.450 2.174 9.149 43 HD12 LEU 6 HD12 LEU 6 -1.751 1.854 8.002 44 HD13 LEU 6 HD13 LEU 6 -2.014 2.968 9.342 45 HD21 LEU 6 HD21 LEU 6 0.052 5.598 8.473 46 HD22 LEU 6 HD22 LEU 6 -1.084 4.846 9.592 47 HD23 LEU 6 HD23 LEU 6 -1.682 5.686 8.162 48 H CYS 7 HN CYS 7 1.847 6.771 5.314 49 HA CYS 7 HA CYS 7 3.013 7.817 7.750 50 HB2 CYS 7 HB2 CYS 7 5.257 8.146 6.519 51 HB3 CYS 7 HB1 CYS 7 4.913 6.548 7.181 52 H ALA 8 HN ALA 8 3.559 8.277 4.253 53 HA ALA 8 HA ALA 8 3.572 11.082 4.334 54 HB1 ALA 8 HB1 ALA 8 4.421 9.694 2.445 55 HB2 ALA 8 HB2 ALA 8 3.344 10.988 1.921 56 HB3 ALA 8 HB3 ALA 8 2.753 9.329 2.007 Start of MODEL 15 1 H1 PHE 1 H1 PHE 1 14.366 4.718 4.920 2 H2 PHE 1 H2 PHE 1 13.699 5.014 3.385 3 H3 PHE 1 H3 PHE 1 13.786 3.426 3.986 4 HA PHE 1 HA PHE 1 11.610 3.862 4.424 5 HB2 PHE 1 HB2 PHE 1 13.132 3.582 6.558 6 HB3 PHE 1 HB1 PHE 1 12.678 5.260 6.855 7 HD1 PHE 1 HD1 PHE 1 10.200 5.866 6.899 8 HD2 PHE 1 HD2 PHE 1 11.619 1.813 7.001 9 HE1 PHE 1 HE1 PHE 1 8.001 5.119 7.770 10 HE2 PHE 1 HE2 PHE 1 9.420 1.065 7.871 11 HZ PHE 1 HZ PHE 1 7.611 2.718 8.256 12 H SER 2 HN SER 2 10.629 5.318 3.084 13 HA SER 2 HA SER 2 10.272 8.021 4.126 14 HB2 SER 2 HB2 SER 2 10.711 8.963 1.807 15 HB3 SER 2 HB1 SER 2 12.135 8.441 2.702 16 HG SER 2 HG SER 2 12.178 7.627 0.589 17 H DAL 3 HN DAL 3 8.111 7.511 4.464 18 HA DAL 3 HA DAL 3 6.299 8.013 2.416 19 HB1 DAL 3 HB1 DAL 3 5.998 7.957 5.007 20 HB2 DAL 3 HB2 DAL 3 5.544 6.277 4.749 21 H LEU 4 HN LEU 4 5.101 5.161 3.700 22 HA LEU 4 HA LEU 4 5.817 3.690 1.240 23 HB2 LEU 4 HB2 LEU 4 6.012 2.862 4.066 24 HB3 LEU 4 HB1 LEU 4 5.291 1.675 2.977 25 HG LEU 4 HG LEU 4 7.267 2.062 1.428 26 HD11 LEU 4 HD11 LEU 4 8.056 3.729 3.802 27 HD12 LEU 4 HD12 LEU 4 8.223 4.091 2.085 28 HD13 LEU 4 HD13 LEU 4 9.302 2.925 2.848 29 HD21 LEU 4 HD21 LEU 4 8.374 0.324 2.436 30 HD22 LEU 4 HD22 LEU 4 6.946 0.311 3.470 31 HD23 LEU 4 HD23 LEU 4 8.415 1.126 4.006 32 H ALA 5 HN ALA 5 3.503 3.215 3.922 33 HA ALA 5 HA ALA 5 1.326 3.389 1.973 34 HB1 ALA 5 HB1 ALA 5 2.115 1.003 2.174 35 HB2 ALA 5 HB2 ALA 5 0.419 1.261 2.585 36 HB3 ALA 5 HB3 ALA 5 1.616 1.055 3.865 37 H LEU 6 HN LEU 6 2.610 3.693 5.130 38 HA LEU 6 HA LEU 6 0.144 5.017 6.007 39 HB2 LEU 6 HB2 LEU 6 1.666 2.994 7.669 40 HB3 LEU 6 HB1 LEU 6 0.303 3.963 8.227 41 HG LEU 6 HG LEU 6 0.142 2.091 5.852 42 HD11 LEU 6 HD11 LEU 6 -0.927 0.487 7.330 43 HD12 LEU 6 HD12 LEU 6 -0.804 1.602 8.691 44 HD13 LEU 6 HD13 LEU 6 0.654 0.891 7.999 45 HD21 LEU 6 HD21 LEU 6 -2.344 2.308 6.513 46 HD22 LEU 6 HD22 LEU 6 -1.597 3.706 5.742 47 HD23 LEU 6 HD23 LEU 6 -1.835 3.686 7.489 48 H CYS 7 HN CYS 7 2.176 6.434 5.066 49 HA CYS 7 HA CYS 7 4.358 7.107 6.576 50 HB2 CYS 7 HB2 CYS 7 2.529 9.077 5.184 51 HB3 CYS 7 HB1 CYS 7 4.231 9.323 5.579 52 H ALA 8 HN ALA 8 1.112 7.324 7.523 53 HA ALA 8 HA ALA 8 1.406 9.513 9.379 54 HB1 ALA 8 HB1 ALA 8 -0.823 8.270 10.234 55 HB2 ALA 8 HB2 ALA 8 -0.737 7.612 8.600 56 HB3 ALA 8 HB3 ALA 8 -0.810 9.357 8.844
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