NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
8877 | 1n09 | 5613 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ACE 1 HA1 ACE 1 11.713 0.996 -10.602 2 2H ACE 1 HA2 ACE 1 10.756 0.496 -12.016 3 3H ACE 1 HA3 ACE 1 10.873 2.217 -11.589 4 H CYS 2 H CYS 2 9.022 2.932 -10.697 5 HA CYS 2 HA CYS 2 7.362 1.053 -9.135 6 1HB CYS 2 HB1 CYS 2 7.923 4.000 -8.720 7 2HB CYS 2 HB2 CYS 2 6.578 3.176 -7.937 8 H THR 3 H THR 3 5.268 0.866 -9.790 9 HA THR 3 HA THR 3 4.147 2.780 -11.763 10 HB THR 3 HB THR 3 5.374 0.977 -12.976 11 HG1 THR 3 HG1 THR 3 3.679 0.640 -14.380 12 1HG2 THR 3 HG21 THR 3 3.170 -0.885 -11.998 13 2HG2 THR 3 HG22 THR 3 4.539 -1.278 -13.059 14 3HG2 THR 3 HG23 THR 3 4.825 -0.900 -11.355 15 H TRP 4 H TRP 4 1.783 1.897 -12.294 16 HA TRP 4 HA TRP 4 0.478 1.583 -9.612 17 1HB TRP 4 HB1 TRP 4 -0.491 2.880 -12.168 18 2HB TRP 4 HB2 TRP 4 -1.517 2.568 -10.776 19 HD1 TRP 4 HD1 TRP 4 1.020 5.019 -12.063 20 HE1 TRP 4 HE1 TRP 4 1.295 6.969 -10.407 21 HE3 TRP 4 HE3 TRP 4 -1.629 3.127 -8.131 22 HZ2 TRP 4 HZ2 TRP 4 0.352 7.681 -7.778 23 HZ3 TRP 4 HZ3 TRP 4 -1.934 4.463 -6.052 24 HH2 TRP 4 HH2 TRP 4 -0.978 6.748 -5.884 25 H GLU 5 H GLU 5 -0.984 0.048 -9.206 26 HA GLU 5 HA GLU 5 -1.691 -1.994 -11.268 27 1HB GLU 5 HB1 GLU 5 0.102 -2.685 -9.675 28 2HB GLU 5 HB2 GLU 5 -1.007 -2.460 -8.327 29 1HG GLU 5 HG1 GLU 5 -1.598 -4.326 -10.674 30 2HG GLU 5 HG2 GLU 5 -0.658 -4.836 -9.276 31 H GLY 6 H GLY 6 -3.760 -1.358 -11.703 32 1HA GLY 6 HA1 GLY 6 -6.019 -0.983 -11.439 33 2HA GLY 6 HA2 GLY 6 -5.914 -1.673 -9.813 34 H ASN 7 H ASN 7 -5.064 -0.336 -8.166 35 HA ASN 7 HA ASN 7 -4.964 2.599 -8.441 36 1HB ASN 7 HB1 ASN 7 -6.754 2.912 -6.683 37 2HB ASN 7 HB2 ASN 7 -7.347 2.256 -8.208 38 1HD2 ASN 7 HD22 ASN 7 -6.225 1.216 -4.938 39 2HD2 ASN 7 HD21 ASN 7 -7.200 -0.279 -5.010 40 H LYS 8 H LYS 8 -3.301 0.093 -7.399 41 HA LYS 8 HA LYS 8 -2.254 1.480 -4.916 42 1HB LYS 8 HB1 LYS 8 -3.164 -1.001 -4.803 43 2HB LYS 8 HB2 LYS 8 -1.680 -1.405 -5.681 44 1HG LYS 8 HG1 LYS 8 -0.366 -0.218 -3.880 45 2HG LYS 8 HG2 LYS 8 -1.870 0.106 -3.028 46 1HD LYS 8 HD1 LYS 8 -0.452 -2.536 -3.481 47 2HD LYS 8 HD2 LYS 8 -0.740 -1.695 -1.964 48 1HE LYS 8 HE1 LYS 8 -2.781 -3.189 -3.650 49 2HE LYS 8 HE2 LYS 8 -2.132 -3.626 -2.063 50 1HZ LYS 8 HZ1 LYS 8 -3.144 -1.472 -1.307 51 2HZ LYS 8 HZ2 LYS 8 -4.010 -1.499 -2.713 52 3HZ LYS 8 HZ3 LYS 8 -4.162 -2.728 -1.628 53 H LEU 9 H LEU 9 -0.033 1.765 -4.764 54 HA LEU 9 HA LEU 9 1.471 1.875 -7.307 55 1HB LEU 9 HB1 LEU 9 1.612 3.754 -5.666 56 2HB LEU 9 HB2 LEU 9 2.216 2.635 -4.447 57 HG LEU 9 HG LEU 9 4.138 2.133 -6.186 58 1HD1 LEU 9 HD11 LEU 9 3.114 4.820 -7.208 59 2HD1 LEU 9 HD12 LEU 9 4.629 4.037 -7.685 60 3HD1 LEU 9 HD13 LEU 9 3.087 3.289 -8.098 61 1HD2 LEU 9 HD21 LEU 9 3.950 4.761 -4.680 62 2HD2 LEU 9 HD22 LEU 9 4.580 3.206 -4.090 63 3HD2 LEU 9 HD23 LEU 9 5.443 4.070 -5.366 64 H THR 10 H THR 10 2.912 0.265 -7.902 65 HA THR 10 HA THR 10 3.922 -1.542 -5.779 66 HB THR 10 HB THR 10 2.968 -2.566 -8.473 67 HG1 THR 10 HG1 THR 10 1.396 -2.052 -6.846 68 1HG2 THR 10 HG21 THR 10 3.354 -4.815 -7.246 69 2HG2 THR 10 HG22 THR 10 4.791 -3.985 -7.862 70 3HG2 THR 10 HG23 THR 10 4.387 -3.912 -6.130 71 H CYS 11 H CYS 11 6.095 -1.994 -5.932 72 HA CYS 11 HA CYS 11 7.622 -0.739 -8.169 73 1HB CYS 11 HB1 CYS 11 8.248 -0.967 -5.217 74 2HB CYS 11 HB2 CYS 11 9.342 -0.285 -6.411 75 1HN NH2 12 HN1 NH2 12 9.615 -1.782 -8.845 76 2HN NH2 12 HN2 NH2 12 9.865 -3.486 -8.448 Start of MODEL 2 1 1H ACE 1 HA1 ACE 1 11.647 -0.420 -10.725 2 2H ACE 1 HA2 ACE 1 11.045 0.766 -11.904 3 3H ACE 1 HA3 ACE 1 11.739 1.311 -10.350 4 H CYS 2 H CYS 2 9.289 2.234 -11.032 5 HA CYS 2 HA CYS 2 7.336 0.803 -9.300 6 1HB CYS 2 HB1 CYS 2 8.316 3.662 -9.164 7 2HB CYS 2 HB2 CYS 2 6.894 3.085 -8.299 8 H THR 3 H THR 3 5.302 0.825 -10.050 9 HA THR 3 HA THR 3 4.366 2.978 -11.804 10 HB THR 3 HB THR 3 5.254 1.225 -13.321 11 HG1 THR 3 HG1 THR 3 3.400 1.289 -14.607 12 1HG2 THR 3 HG21 THR 3 2.814 -0.447 -12.672 13 2HG2 THR 3 HG22 THR 3 4.233 -0.865 -13.643 14 3HG2 THR 3 HG23 THR 3 4.366 -0.768 -11.876 15 H TRP 4 H TRP 4 1.836 2.082 -12.330 16 HA TRP 4 HA TRP 4 0.632 1.686 -9.604 17 1HB TRP 4 HB1 TRP 4 -0.638 2.596 -12.203 18 2HB TRP 4 HB2 TRP 4 -1.474 2.386 -10.668 19 HD1 TRP 4 HD1 TRP 4 0.720 4.810 -12.523 20 HE1 TRP 4 HE1 TRP 4 0.939 6.997 -11.189 21 HE3 TRP 4 HE3 TRP 4 -1.314 3.254 -8.124 22 HZ2 TRP 4 HZ2 TRP 4 0.234 7.969 -8.536 23 HZ3 TRP 4 HZ3 TRP 4 -1.569 4.817 -6.209 24 HH2 TRP 4 HH2 TRP 4 -0.807 7.175 -6.411 25 H GLU 5 H GLU 5 -0.953 0.149 -9.232 26 HA GLU 5 HA GLU 5 -1.450 -1.930 -11.308 27 1HB GLU 5 HB1 GLU 5 0.341 -2.571 -9.672 28 2HB GLU 5 HB2 GLU 5 -0.873 -2.509 -8.387 29 1HG GLU 5 HG1 GLU 5 -2.181 -4.264 -9.633 30 2HG GLU 5 HG2 GLU 5 -0.923 -4.270 -10.879 31 H GLY 6 H GLY 6 -3.331 -0.799 -11.747 32 1HA GLY 6 HA1 GLY 6 -5.548 -0.261 -11.672 33 2HA GLY 6 HA2 GLY 6 -5.756 -1.444 -10.379 34 H ASN 7 H ASN 7 -5.269 -0.768 -8.239 35 HA ASN 7 HA ASN 7 -6.021 2.085 -7.631 36 1HB ASN 7 HB1 ASN 7 -7.737 0.127 -7.485 37 2HB ASN 7 HB2 ASN 7 -6.888 -0.319 -6.010 38 1HD2 ASN 7 HD22 ASN 7 -6.567 1.904 -4.533 39 2HD2 ASN 7 HD21 ASN 7 -8.151 2.704 -4.353 40 H LYS 8 H LYS 8 -3.376 0.068 -7.316 41 HA LYS 8 HA LYS 8 -2.447 1.529 -4.876 42 1HB LYS 8 HB1 LYS 8 -1.479 -0.430 -3.922 43 2HB LYS 8 HB2 LYS 8 -3.148 -0.829 -4.313 44 1HG LYS 8 HG1 LYS 8 -2.285 -1.938 -6.446 45 2HG LYS 8 HG2 LYS 8 -0.651 -1.644 -5.850 46 1HD LYS 8 HD1 LYS 8 -1.117 -3.882 -5.328 47 2HD LYS 8 HD2 LYS 8 -1.273 -3.027 -3.789 48 1HE LYS 8 HE1 LYS 8 -3.686 -3.098 -3.919 49 2HE LYS 8 HE2 LYS 8 -3.643 -3.684 -5.595 50 1HZ LYS 8 HZ1 LYS 8 -2.418 -5.200 -3.420 51 2HZ LYS 8 HZ2 LYS 8 -4.019 -5.359 -3.783 52 3HZ LYS 8 HZ3 LYS 8 -2.875 -5.725 -4.912 53 H LEU 9 H LEU 9 -0.145 1.871 -4.764 54 HA LEU 9 HA LEU 9 1.225 2.043 -7.392 55 1HB LEU 9 HB1 LEU 9 1.279 3.908 -5.620 56 2HB LEU 9 HB2 LEU 9 2.303 2.838 -4.669 57 HG LEU 9 HG LEU 9 3.913 2.792 -6.671 58 1HD1 LEU 9 HD11 LEU 9 2.121 5.097 -7.582 59 2HD1 LEU 9 HD12 LEU 9 3.744 4.763 -8.229 60 3HD1 LEU 9 HD13 LEU 9 2.433 3.607 -8.471 61 1HD2 LEU 9 HD21 LEU 9 4.241 4.249 -4.644 62 2HD2 LEU 9 HD22 LEU 9 4.939 4.910 -6.131 63 3HD2 LEU 9 HD23 LEU 9 3.407 5.559 -5.507 64 H THR 10 H THR 10 2.976 0.718 -7.934 65 HA THR 10 HA THR 10 3.663 -1.555 -6.125 66 HB THR 10 HB THR 10 2.552 -1.563 -8.937 67 HG1 THR 10 HG1 THR 10 1.536 -1.742 -6.652 68 1HG2 THR 10 HG21 THR 10 2.857 -4.057 -8.875 69 2HG2 THR 10 HG22 THR 10 4.364 -3.161 -9.124 70 3HG2 THR 10 HG23 THR 10 3.981 -3.850 -7.518 71 H CYS 11 H CYS 11 5.746 -1.971 -6.021 72 HA CYS 11 HA CYS 11 7.630 -0.949 -8.066 73 1HB CYS 11 HB1 CYS 11 7.931 -0.781 -5.048 74 2HB CYS 11 HB2 CYS 11 9.205 -0.403 -6.191 75 1HN NH2 12 HN1 NH2 12 9.681 -2.155 -8.077 76 2HN NH2 12 HN2 NH2 12 9.707 -3.802 -7.435 Start of MODEL 3 1 1H ACE 1 HA1 ACE 1 10.568 0.238 -12.502 2 2H ACE 1 HA2 ACE 1 11.258 1.587 -11.566 3 3H ACE 1 HA3 ACE 1 11.669 -0.091 -11.151 4 H CYS 2 H CYS 2 9.293 2.437 -10.847 5 HA CYS 2 HA CYS 2 7.421 0.686 -9.330 6 1HB CYS 2 HB1 CYS 2 8.274 3.512 -8.699 7 2HB CYS 2 HB2 CYS 2 6.950 2.697 -7.880 8 H THR 3 H THR 3 5.320 0.853 -9.840 9 HA THR 3 HA THR 3 4.345 2.956 -11.686 10 HB THR 3 HB THR 3 5.348 1.146 -13.066 11 HG1 THR 3 HG1 THR 3 3.621 1.094 -14.432 12 1HG2 THR 3 HG21 THR 3 4.090 -0.975 -13.361 13 2HG2 THR 3 HG22 THR 3 4.850 -0.863 -11.767 14 3HG2 THR 3 HG23 THR 3 3.102 -0.590 -11.946 15 H TRP 4 H TRP 4 1.880 2.359 -12.222 16 HA TRP 4 HA TRP 4 0.524 1.935 -9.591 17 1HB TRP 4 HB1 TRP 4 -0.501 2.971 -12.248 18 2HB TRP 4 HB2 TRP 4 -1.578 2.448 -10.952 19 HD1 TRP 4 HD1 TRP 4 0.695 5.282 -11.926 20 HE1 TRP 4 HE1 TRP 4 0.563 7.187 -10.201 21 HE3 TRP 4 HE3 TRP 4 -2.367 3.064 -8.469 22 HZ2 TRP 4 HZ2 TRP 4 -0.789 7.729 -7.726 23 HZ3 TRP 4 HZ3 TRP 4 -3.176 4.355 -6.501 24 HH2 TRP 4 HH2 TRP 4 -2.394 6.680 -6.125 25 H GLU 5 H GLU 5 -0.930 0.339 -9.200 26 HA GLU 5 HA GLU 5 -1.326 -1.800 -11.226 27 1HB GLU 5 HB1 GLU 5 0.558 -2.282 -9.539 28 2HB GLU 5 HB2 GLU 5 -0.716 -2.434 -8.320 29 1HG GLU 5 HG1 GLU 5 -1.814 -4.078 -10.061 30 2HG GLU 5 HG2 GLU 5 -0.237 -4.066 -10.851 31 H GLY 6 H GLY 6 -3.361 -1.208 -11.642 32 1HA GLY 6 HA1 GLY 6 -5.626 -1.192 -11.555 33 2HA GLY 6 HA2 GLY 6 -5.537 -2.120 -10.058 34 H ASN 7 H ASN 7 -4.817 -0.676 -8.153 35 HA ASN 7 HA ASN 7 -5.784 2.109 -8.176 36 1HB ASN 7 HB1 ASN 7 -7.474 -0.102 -7.153 37 2HB ASN 7 HB2 ASN 7 -7.174 1.120 -5.937 38 1HD2 ASN 7 HD22 ASN 7 -7.483 1.880 -9.473 39 2HD2 ASN 7 HD21 ASN 7 -8.962 2.817 -9.154 40 H LYS 8 H LYS 8 -3.379 0.122 -7.247 41 HA LYS 8 HA LYS 8 -2.525 1.967 -5.026 42 1HB LYS 8 HB1 LYS 8 -2.973 -0.837 -4.736 43 2HB LYS 8 HB2 LYS 8 -1.246 -0.684 -5.034 44 1HG LYS 8 HG1 LYS 8 -1.182 1.102 -3.204 45 2HG LYS 8 HG2 LYS 8 -2.872 0.719 -2.867 46 1HD LYS 8 HD1 LYS 8 -1.298 -0.362 -1.301 47 2HD LYS 8 HD2 LYS 8 -2.275 -1.547 -2.175 48 1HE LYS 8 HE1 LYS 8 -0.404 -2.065 -3.661 49 2HE LYS 8 HE2 LYS 8 0.554 -0.741 -2.968 50 1HZ LYS 8 HZ1 LYS 8 0.365 -1.974 -0.839 51 2HZ LYS 8 HZ2 LYS 8 -0.230 -3.252 -1.685 52 3HZ LYS 8 HZ3 LYS 8 1.292 -2.687 -2.000 53 H LEU 9 H LEU 9 -0.125 1.920 -4.763 54 HA LEU 9 HA LEU 9 1.251 2.031 -7.396 55 1HB LEU 9 HB1 LEU 9 1.354 3.849 -5.420 56 2HB LEU 9 HB2 LEU 9 2.529 2.734 -4.742 57 HG LEU 9 HG LEU 9 3.716 2.891 -7.078 58 1HD1 LEU 9 HD11 LEU 9 1.813 4.022 -8.260 59 2HD1 LEU 9 HD12 LEU 9 2.017 5.429 -7.197 60 3HD1 LEU 9 HD13 LEU 9 3.308 4.962 -8.323 61 1HD2 LEU 9 HD21 LEU 9 3.608 5.172 -5.065 62 2HD2 LEU 9 HD22 LEU 9 4.837 3.898 -5.250 63 3HD2 LEU 9 HD23 LEU 9 4.715 5.184 -6.450 64 H THR 10 H THR 10 2.986 0.608 -7.876 65 HA THR 10 HA THR 10 3.802 -1.297 -5.782 66 HB THR 10 HB THR 10 1.963 -2.212 -7.487 67 HG1 THR 10 HG1 THR 10 2.710 -3.414 -5.900 68 1HG2 THR 10 HG21 THR 10 3.005 -3.662 -9.195 69 2HG2 THR 10 HG22 THR 10 3.206 -1.947 -9.599 70 3HG2 THR 10 HG23 THR 10 4.565 -2.895 -8.943 71 H CYS 11 H CYS 11 5.864 -2.374 -6.250 72 HA CYS 11 HA CYS 11 7.584 -0.975 -8.249 73 1HB CYS 11 HB1 CYS 11 8.197 -1.567 -5.351 74 2HB CYS 11 HB2 CYS 11 9.398 -1.039 -6.526 75 1HN NH2 12 HN1 NH2 12 8.688 -2.339 -9.565 76 2HN NH2 12 HN2 NH2 12 8.904 -4.057 -9.213 Start of MODEL 4 1 1H ACE 1 HA1 ACE 1 11.352 2.450 -10.987 2 2H ACE 1 HA2 ACE 1 11.444 0.716 -11.394 3 3H ACE 1 HA3 ACE 1 10.409 1.795 -12.351 4 H CYS 2 H CYS 2 8.766 2.992 -11.069 5 HA CYS 2 HA CYS 2 7.347 1.181 -9.186 6 1HB CYS 2 HB1 CYS 2 7.426 4.201 -9.274 7 2HB CYS 2 HB2 CYS 2 6.211 3.301 -8.362 8 H THR 3 H THR 3 5.181 0.884 -9.590 9 HA THR 3 HA THR 3 4.014 1.894 -12.139 10 HB THR 3 HB THR 3 4.530 -1.002 -11.354 11 HG1 THR 3 HG1 THR 3 5.989 0.667 -12.569 12 1HG2 THR 3 HG21 THR 3 3.510 -1.634 -13.494 13 2HG2 THR 3 HG22 THR 3 2.304 -0.879 -12.451 14 3HG2 THR 3 HG23 THR 3 3.028 0.050 -13.793 15 H TRP 4 H TRP 4 1.816 1.866 -12.219 16 HA TRP 4 HA TRP 4 0.375 1.602 -9.649 17 1HB TRP 4 HB1 TRP 4 -0.164 2.978 -12.289 18 2HB TRP 4 HB2 TRP 4 -1.463 2.649 -11.150 19 HD1 TRP 4 HD1 TRP 4 1.406 5.028 -11.700 20 HE1 TRP 4 HE1 TRP 4 1.426 6.812 -9.844 21 HE3 TRP 4 HE3 TRP 4 -2.012 2.936 -8.529 22 HZ2 TRP 4 HZ2 TRP 4 0.024 7.334 -7.375 23 HZ3 TRP 4 HZ3 TRP 4 -2.663 4.098 -6.428 24 HH2 TRP 4 HH2 TRP 4 -1.674 6.303 -5.861 25 H GLU 5 H GLU 5 -0.998 0.085 -9.237 26 HA GLU 5 HA GLU 5 -1.679 -2.025 -11.216 27 1HB GLU 5 HB1 GLU 5 0.049 -2.485 -9.401 28 2HB GLU 5 HB2 GLU 5 -1.220 -2.262 -8.209 29 1HG GLU 5 HG1 GLU 5 -0.853 -4.606 -8.580 30 2HG GLU 5 HG2 GLU 5 -2.445 -4.210 -9.226 31 H GLY 6 H GLY 6 -3.402 -0.653 -11.760 32 1HA GLY 6 HA1 GLY 6 -5.543 0.052 -11.910 33 2HA GLY 6 HA2 GLY 6 -5.981 -1.105 -10.658 34 H ASN 7 H ASN 7 -5.027 -0.228 -8.414 35 HA ASN 7 HA ASN 7 -5.508 2.680 -7.979 36 1HB ASN 7 HB1 ASN 7 -7.526 0.591 -7.401 37 2HB ASN 7 HB2 ASN 7 -7.100 1.502 -5.968 38 1HD2 ASN 7 HD22 ASN 7 -7.426 2.557 -9.456 39 2HD2 ASN 7 HD21 ASN 7 -8.659 3.751 -8.992 40 H LYS 8 H LYS 8 -3.403 0.358 -7.544 41 HA LYS 8 HA LYS 8 -2.427 1.335 -4.892 42 1HB LYS 8 HB1 LYS 8 -3.721 -0.926 -4.931 43 2HB LYS 8 HB2 LYS 8 -2.381 -1.560 -5.865 44 1HG LYS 8 HG1 LYS 8 -2.186 -2.180 -3.550 45 2HG LYS 8 HG2 LYS 8 -0.855 -1.090 -3.929 46 1HD LYS 8 HD1 LYS 8 -3.365 0.191 -2.865 47 2HD LYS 8 HD2 LYS 8 -2.537 -0.874 -1.739 48 1HE LYS 8 HE1 LYS 8 -1.026 1.293 -3.230 49 2HE LYS 8 HE2 LYS 8 -1.922 1.638 -1.740 50 1HZ LYS 8 HZ1 LYS 8 -0.631 -0.023 -0.632 51 2HZ LYS 8 HZ2 LYS 8 0.225 -0.344 -2.004 52 3HZ LYS 8 HZ3 LYS 8 0.347 1.134 -1.279 53 H LEU 9 H LEU 9 -0.072 1.114 -4.672 54 HA LEU 9 HA LEU 9 1.329 1.376 -7.293 55 1HB LEU 9 HB1 LEU 9 1.125 3.339 -5.719 56 2HB LEU 9 HB2 LEU 9 2.037 2.418 -4.527 57 HG LEU 9 HG LEU 9 4.021 2.443 -6.054 58 1HD1 LEU 9 HD11 LEU 9 2.368 4.404 -7.718 59 2HD1 LEU 9 HD12 LEU 9 4.086 4.030 -7.933 60 3HD1 LEU 9 HD13 LEU 9 2.870 2.790 -8.250 61 1HD2 LEU 9 HD21 LEU 9 3.693 4.171 -4.284 62 2HD2 LEU 9 HD22 LEU 9 4.547 4.824 -5.688 63 3HD2 LEU 9 HD23 LEU 9 2.826 5.192 -5.452 64 H THR 10 H THR 10 3.073 0.092 -7.777 65 HA THR 10 HA THR 10 4.274 -1.612 -5.657 66 HB THR 10 HB THR 10 2.924 -3.155 -6.922 67 HG1 THR 10 HG1 THR 10 4.731 -4.187 -6.542 68 1HG2 THR 10 HG21 THR 10 3.215 -3.598 -9.308 69 2HG2 THR 10 HG22 THR 10 2.611 -1.954 -9.071 70 3HG2 THR 10 HG23 THR 10 4.329 -2.232 -9.463 71 H CYS 11 H CYS 11 6.595 -1.950 -5.937 72 HA CYS 11 HA CYS 11 7.844 -0.579 -8.212 73 1HB CYS 11 HB1 CYS 11 8.848 -0.115 -5.401 74 2HB CYS 11 HB2 CYS 11 9.479 0.576 -6.889 75 1HN NH2 12 HN1 NH2 12 10.039 -1.323 -8.632 76 2HN NH2 12 HN2 NH2 12 10.557 -2.878 -7.963 Start of MODEL 5 1 1H ACE 1 HA1 ACE 1 11.531 0.487 -11.394 2 2H ACE 1 HA2 ACE 1 10.702 1.823 -12.220 3 3H ACE 1 HA3 ACE 1 11.574 2.119 -10.692 4 H CYS 2 H CYS 2 8.937 2.887 -10.974 5 HA CYS 2 HA CYS 2 7.386 0.910 -9.372 6 1HB CYS 2 HB1 CYS 2 7.535 3.908 -9.052 7 2HB CYS 2 HB2 CYS 2 6.307 2.921 -8.263 8 H THR 3 H THR 3 5.184 0.983 -9.537 9 HA THR 3 HA THR 3 3.990 1.917 -12.122 10 HB THR 3 HB THR 3 3.034 -0.431 -12.270 11 HG1 THR 3 HG1 THR 3 4.635 -0.804 -10.064 12 1HG2 THR 3 HG21 THR 3 5.062 -1.417 -13.321 13 2HG2 THR 3 HG22 THR 3 4.712 0.239 -13.850 14 3HG2 THR 3 HG23 THR 3 6.022 -0.067 -12.686 15 H TRP 4 H TRP 4 1.758 2.095 -12.089 16 HA TRP 4 HA TRP 4 0.349 1.870 -9.458 17 1HB TRP 4 HB1 TRP 4 -0.122 3.553 -11.884 18 2HB TRP 4 HB2 TRP 4 -1.418 3.132 -10.778 19 HD1 TRP 4 HD1 TRP 4 1.616 5.354 -11.021 20 HE1 TRP 4 HE1 TRP 4 1.567 7.051 -9.083 21 HE3 TRP 4 HE3 TRP 4 -2.000 3.188 -8.131 22 HZ2 TRP 4 HZ2 TRP 4 -0.063 7.565 -6.754 23 HZ3 TRP 4 HZ3 TRP 4 -2.801 4.311 -6.060 24 HH2 TRP 4 HH2 TRP 4 -1.884 6.522 -5.402 25 H GLU 5 H GLU 5 -0.519 -0.078 -9.237 26 HA GLU 5 HA GLU 5 -1.518 -1.565 -11.640 27 1HB GLU 5 HB1 GLU 5 -0.623 -2.639 -8.945 28 2HB GLU 5 HB2 GLU 5 -1.301 -3.594 -10.266 29 1HG GLU 5 HG1 GLU 5 1.331 -2.054 -10.326 30 2HG GLU 5 HG2 GLU 5 1.133 -3.800 -10.218 31 H GLY 6 H GLY 6 -3.576 -1.039 -11.887 32 1HA GLY 6 HA1 GLY 6 -5.842 -0.968 -11.552 33 2HA GLY 6 HA2 GLY 6 -5.619 -1.844 -10.037 34 H ASN 7 H ASN 7 -4.798 -0.537 -8.223 35 HA ASN 7 HA ASN 7 -5.430 2.343 -8.193 36 1HB ASN 7 HB1 ASN 7 -7.150 2.214 -6.477 37 2HB ASN 7 HB2 ASN 7 -7.642 1.313 -7.904 38 1HD2 ASN 7 HD22 ASN 7 -6.410 0.984 -4.572 39 2HD2 ASN 7 HD21 ASN 7 -7.055 -0.667 -4.401 40 H LYS 8 H LYS 8 -3.107 0.360 -7.537 41 HA LYS 8 HA LYS 8 -2.269 1.814 -5.081 42 1HB LYS 8 HB1 LYS 8 -1.367 -0.268 -4.128 43 2HB LYS 8 HB2 LYS 8 -3.116 -0.312 -4.253 44 1HG LYS 8 HG1 LYS 8 -3.132 -1.829 -6.032 45 2HG LYS 8 HG2 LYS 8 -1.464 -1.525 -6.500 46 1HD LYS 8 HD1 LYS 8 -2.097 -2.818 -3.827 47 2HD LYS 8 HD2 LYS 8 -2.064 -3.734 -5.335 48 1HE LYS 8 HE1 LYS 8 0.077 -4.012 -4.437 49 2HE LYS 8 HE2 LYS 8 0.252 -2.872 -5.775 50 1HZ LYS 8 HZ1 LYS 8 -0.093 -1.872 -3.068 51 2HZ LYS 8 HZ2 LYS 8 1.383 -2.437 -3.547 52 3HZ LYS 8 HZ3 LYS 8 0.690 -1.181 -4.350 53 H LEU 9 H LEU 9 0.022 1.762 -4.693 54 HA LEU 9 HA LEU 9 1.581 1.821 -7.185 55 1HB LEU 9 HB1 LEU 9 1.514 3.729 -5.440 56 2HB LEU 9 HB2 LEU 9 2.398 2.648 -4.366 57 HG LEU 9 HG LEU 9 4.192 2.505 -6.226 58 1HD1 LEU 9 HD11 LEU 9 2.608 4.921 -7.218 59 2HD1 LEU 9 HD12 LEU 9 4.251 4.510 -7.746 60 3HD1 LEU 9 HD13 LEU 9 2.904 3.422 -8.118 61 1HD2 LEU 9 HD21 LEU 9 4.328 3.913 -4.102 62 2HD2 LEU 9 HD22 LEU 9 5.305 4.475 -5.467 63 3HD2 LEU 9 HD23 LEU 9 3.773 5.293 -5.078 64 H THR 10 H THR 10 2.650 0.137 -7.815 65 HA THR 10 HA THR 10 3.778 -1.857 -5.873 66 HB THR 10 HB THR 10 3.138 -2.306 -8.819 67 HG1 THR 10 HG1 THR 10 1.283 -2.021 -7.613 68 1HG2 THR 10 HG21 THR 10 3.273 -4.729 -8.090 69 2HG2 THR 10 HG22 THR 10 4.825 -3.876 -8.089 70 3HG2 THR 10 HG23 THR 10 3.965 -4.173 -6.553 71 H CYS 11 H CYS 11 6.021 -1.982 -5.870 72 HA CYS 11 HA CYS 11 7.495 -0.598 -8.074 73 1HB CYS 11 HB1 CYS 11 8.084 -0.678 -5.106 74 2HB CYS 11 HB2 CYS 11 9.206 -0.071 -6.317 75 1HN NH2 12 HN1 NH2 12 9.320 -1.601 -8.918 76 2HN NH2 12 HN2 NH2 12 9.745 -3.249 -8.456 Start of MODEL 6 1 1H ACE 1 HA1 ACE 1 10.812 2.418 -11.539 2 2H ACE 1 HA2 ACE 1 11.027 3.472 -10.115 3 3H ACE 1 HA3 ACE 1 11.706 1.831 -10.117 4 H CYS 2 H CYS 2 8.547 3.384 -10.780 5 HA CYS 2 HA CYS 2 7.221 1.304 -9.149 6 1HB CYS 2 HB1 CYS 2 6.821 4.309 -9.126 7 2HB CYS 2 HB2 CYS 2 5.649 3.195 -8.427 8 H THR 3 H THR 3 5.165 0.725 -9.715 9 HA THR 3 HA THR 3 4.064 1.549 -12.365 10 HB THR 3 HB THR 3 4.495 -1.246 -11.225 11 HG1 THR 3 HG1 THR 3 5.907 -1.408 -12.986 12 1HG2 THR 3 HG21 THR 3 3.802 -2.017 -13.498 13 2HG2 THR 3 HG22 THR 3 2.480 -1.273 -12.593 14 3HG2 THR 3 HG23 THR 3 3.297 -0.359 -13.887 15 H TRP 4 H TRP 4 1.867 1.855 -12.335 16 HA TRP 4 HA TRP 4 0.370 1.527 -9.828 17 1HB TRP 4 HB1 TRP 4 -0.240 2.715 -12.543 18 2HB TRP 4 HB2 TRP 4 -1.542 2.314 -11.440 19 HD1 TRP 4 HD1 TRP 4 0.840 5.053 -12.148 20 HE1 TRP 4 HE1 TRP 4 0.722 6.875 -10.341 21 HE3 TRP 4 HE3 TRP 4 -2.055 2.623 -8.698 22 HZ2 TRP 4 HZ2 TRP 4 -0.307 7.162 -7.658 23 HZ3 TRP 4 HZ3 TRP 4 -2.525 3.673 -6.485 24 HH2 TRP 4 HH2 TRP 4 -1.670 5.927 -5.963 25 H GLU 5 H GLU 5 -0.799 -0.086 -9.256 26 HA GLU 5 HA GLU 5 -1.714 -2.141 -11.198 27 1HB GLU 5 HB1 GLU 5 -0.081 -2.619 -9.101 28 2HB GLU 5 HB2 GLU 5 -1.610 -2.742 -8.247 29 1HG GLU 5 HG1 GLU 5 -0.857 -4.228 -10.816 30 2HG GLU 5 HG2 GLU 5 -0.740 -4.919 -9.203 31 H GLY 6 H GLY 6 -3.190 -0.430 -11.714 32 1HA GLY 6 HA1 GLY 6 -5.288 0.550 -11.770 33 2HA GLY 6 HA2 GLY 6 -5.821 -0.601 -10.542 34 H ASN 7 H ASN 7 -5.527 -0.095 -8.366 35 HA ASN 7 HA ASN 7 -5.473 2.843 -7.708 36 1HB ASN 7 HB1 ASN 7 -7.642 1.427 -7.692 37 2HB ASN 7 HB2 ASN 7 -7.022 0.715 -6.207 38 1HD2 ASN 7 HD22 ASN 7 -5.838 3.338 -5.212 39 2HD2 ASN 7 HD21 ASN 7 -7.281 4.336 -4.895 40 H LYS 8 H LYS 8 -3.635 0.037 -7.321 41 HA LYS 8 HA LYS 8 -2.326 0.968 -4.753 42 1HB LYS 8 HB1 LYS 8 -2.701 -1.756 -6.034 43 2HB LYS 8 HB2 LYS 8 -1.269 -1.426 -5.048 44 1HG LYS 8 HG1 LYS 8 -2.741 -0.667 -3.183 45 2HG LYS 8 HG2 LYS 8 -4.160 -1.123 -4.127 46 1HD LYS 8 HD1 LYS 8 -1.958 -3.056 -3.230 47 2HD LYS 8 HD2 LYS 8 -3.466 -2.762 -2.373 48 1HE LYS 8 HE1 LYS 8 -4.107 -4.622 -3.512 49 2HE LYS 8 HE2 LYS 8 -4.588 -3.396 -4.695 50 1HZ LYS 8 HZ1 LYS 8 -2.354 -3.803 -5.699 51 2HZ LYS 8 HZ2 LYS 8 -2.209 -5.106 -4.694 52 3HZ LYS 8 HZ3 LYS 8 -3.424 -5.056 -5.807 53 H LEU 9 H LEU 9 0.011 0.958 -4.792 54 HA LEU 9 HA LEU 9 1.212 1.206 -7.519 55 1HB LEU 9 HB1 LEU 9 1.092 3.296 -5.978 56 2HB LEU 9 HB2 LEU 9 2.257 2.453 -4.962 57 HG LEU 9 HG LEU 9 3.723 2.286 -7.127 58 1HD1 LEU 9 HD11 LEU 9 1.949 2.993 -8.742 59 2HD1 LEU 9 HD12 LEU 9 1.857 4.561 -7.925 60 3HD1 LEU 9 HD13 LEU 9 3.337 4.087 -8.774 61 1HD2 LEU 9 HD21 LEU 9 3.144 4.949 -5.762 62 2HD2 LEU 9 HD22 LEU 9 4.335 3.729 -5.264 63 3HD2 LEU 9 HD23 LEU 9 4.567 4.625 -6.772 64 H THR 10 H THR 10 2.981 -0.058 -7.960 65 HA THR 10 HA THR 10 4.106 -1.812 -5.803 66 HB THR 10 HB THR 10 3.453 -2.549 -8.688 67 HG1 THR 10 HG1 THR 10 1.827 -2.347 -6.884 68 1HG2 THR 10 HG21 THR 10 4.503 -4.282 -6.400 69 2HG2 THR 10 HG22 THR 10 4.046 -4.841 -8.021 70 3HG2 THR 10 HG23 THR 10 5.455 -3.784 -7.824 71 H CYS 11 H CYS 11 6.391 -1.718 -5.741 72 HA CYS 11 HA CYS 11 7.732 -0.359 -8.032 73 1HB CYS 11 HB1 CYS 11 8.295 0.156 -5.104 74 2HB CYS 11 HB2 CYS 11 9.029 0.971 -6.478 75 1HN NH2 12 HN1 NH2 12 9.930 -0.882 -8.386 76 2HN NH2 12 HN2 NH2 12 10.594 -2.367 -7.679 Start of MODEL 7 1 1H ACE 1 HA1 ACE 1 11.545 2.324 -10.682 2 2H ACE 1 HA2 ACE 1 11.901 0.587 -10.819 3 3H ACE 1 HA3 ACE 1 10.977 1.401 -12.102 4 H CYS 2 H CYS 2 9.110 2.786 -10.944 5 HA CYS 2 HA CYS 2 7.499 0.923 -9.291 6 1HB CYS 2 HB1 CYS 2 7.727 3.925 -9.035 7 2HB CYS 2 HB2 CYS 2 6.657 2.931 -8.050 8 H THR 3 H THR 3 5.417 0.689 -9.863 9 HA THR 3 HA THR 3 4.176 2.437 -11.913 10 HB THR 3 HB THR 3 5.363 0.624 -13.124 11 HG1 THR 3 HG1 THR 3 3.467 0.018 -14.304 12 1HG2 THR 3 HG21 THR 3 3.253 -1.301 -12.090 13 2HG2 THR 3 HG22 THR 3 4.689 -1.636 -13.081 14 3HG2 THR 3 HG23 THR 3 4.878 -1.216 -11.374 15 H TRP 4 H TRP 4 1.895 1.390 -12.383 16 HA TRP 4 HA TRP 4 0.506 1.340 -9.709 17 1HB TRP 4 HB1 TRP 4 -0.212 2.781 -12.273 18 2HB TRP 4 HB2 TRP 4 -1.365 2.473 -10.991 19 HD1 TRP 4 HD1 TRP 4 1.485 4.764 -11.876 20 HE1 TRP 4 HE1 TRP 4 1.518 6.732 -10.217 21 HE3 TRP 4 HE3 TRP 4 -1.736 2.929 -8.356 22 HZ2 TRP 4 HZ2 TRP 4 0.091 7.527 -7.831 23 HZ3 TRP 4 HZ3 TRP 4 -2.338 4.277 -6.365 24 HH2 TRP 4 HH2 TRP 4 -1.480 6.604 -6.127 25 H GLU 5 H GLU 5 -1.278 0.136 -9.473 26 HA GLU 5 HA GLU 5 -2.125 -1.808 -11.571 27 1HB GLU 5 HB1 GLU 5 -1.351 -2.413 -8.684 28 2HB GLU 5 HB2 GLU 5 -2.084 -3.554 -9.827 29 1HG GLU 5 HG1 GLU 5 -0.093 -3.144 -11.365 30 2HG GLU 5 HG2 GLU 5 0.658 -2.233 -10.047 31 H GLY 6 H GLY 6 -3.933 -0.489 -11.884 32 1HA GLY 6 HA1 GLY 6 -6.146 0.063 -11.685 33 2HA GLY 6 HA2 GLY 6 -6.270 -1.074 -10.344 34 H ASN 7 H ASN 7 -5.344 -0.291 -8.300 35 HA ASN 7 HA ASN 7 -5.613 2.624 -7.662 36 1HB ASN 7 HB1 ASN 7 -7.190 0.388 -6.298 37 2HB ASN 7 HB2 ASN 7 -7.144 2.061 -5.762 38 1HD2 ASN 7 HD21 ASN 7 -7.457 3.315 -8.471 39 2HD2 ASN 7 HD22 ASN 7 -9.131 2.912 -8.833 40 H LYS 8 H LYS 8 -3.601 0.089 -7.534 41 HA LYS 8 HA LYS 8 -2.353 0.760 -4.874 42 1HB LYS 8 HB1 LYS 8 -3.332 -1.412 -4.825 43 2HB LYS 8 HB2 LYS 8 -2.723 -1.822 -6.425 44 1HG LYS 8 HG1 LYS 8 -0.394 -1.882 -5.509 45 2HG LYS 8 HG2 LYS 8 -1.057 -1.545 -3.890 46 1HD LYS 8 HD1 LYS 8 -2.512 -3.574 -4.118 47 2HD LYS 8 HD2 LYS 8 -1.770 -3.916 -5.693 48 1HE LYS 8 HE1 LYS 8 0.394 -4.291 -4.661 49 2HE LYS 8 HE2 LYS 8 -0.216 -3.736 -3.087 50 1HZ LYS 8 HZ1 LYS 8 -1.793 -5.577 -3.182 51 2HZ LYS 8 HZ2 LYS 8 -1.053 -6.143 -4.541 52 3HZ LYS 8 HZ3 LYS 8 -0.223 -6.073 -3.115 53 H LEU 9 H LEU 9 -0.113 0.858 -4.846 54 HA LEU 9 HA LEU 9 1.294 1.440 -7.421 55 1HB LEU 9 HB1 LEU 9 0.569 3.371 -6.089 56 2HB LEU 9 HB2 LEU 9 1.401 2.767 -4.670 57 HG LEU 9 HG LEU 9 2.846 3.576 -7.236 58 1HD1 LEU 9 HD11 LEU 9 1.515 5.453 -6.282 59 2HD1 LEU 9 HD12 LEU 9 2.306 5.216 -4.715 60 3HD1 LEU 9 HD13 LEU 9 3.249 5.737 -6.131 61 1HD2 LEU 9 HD21 LEU 9 3.780 3.142 -4.355 62 2HD2 LEU 9 HD22 LEU 9 4.355 2.297 -5.810 63 3HD2 LEU 9 HD23 LEU 9 4.741 3.998 -5.572 64 H THR 10 H THR 10 3.199 0.278 -7.745 65 HA THR 10 HA THR 10 4.488 -1.003 -5.379 66 HB THR 10 HB THR 10 4.701 -3.131 -6.590 67 HG1 THR 10 HG1 THR 10 2.728 -2.941 -8.298 68 1HG2 THR 10 HG21 THR 10 1.765 -2.357 -6.413 69 2HG2 THR 10 HG22 THR 10 2.472 -3.984 -6.288 70 3HG2 THR 10 HG23 THR 10 2.775 -2.789 -5.015 71 H CYS 11 H CYS 11 6.653 -1.678 -5.671 72 HA CYS 11 HA CYS 11 8.094 -0.517 -7.996 73 1HB CYS 11 HB1 CYS 11 8.938 -0.504 -5.090 74 2HB CYS 11 HB2 CYS 11 9.904 0.084 -6.433 75 1HN NH2 12 HN1 NH2 12 9.738 -1.741 -8.843 76 2HN NH2 12 HN2 NH2 12 10.112 -3.369 -8.260 Start of MODEL 8 1 1H ACE 1 HA1 ACE 1 11.899 1.838 -10.711 2 2H ACE 1 HA2 ACE 1 11.274 0.475 -11.665 3 3H ACE 1 HA3 ACE 1 10.832 2.134 -12.100 4 H CYS 2 H CYS 2 8.793 2.566 -11.573 5 HA CYS 2 HA CYS 2 7.464 1.155 -9.363 6 1HB CYS 2 HB1 CYS 2 7.588 4.137 -9.855 7 2HB CYS 2 HB2 CYS 2 6.225 3.417 -9.014 8 H THR 3 H THR 3 5.361 0.657 -9.847 9 HA THR 3 HA THR 3 4.092 1.588 -12.387 10 HB THR 3 HB THR 3 4.807 -1.228 -11.560 11 HG1 THR 3 HG1 THR 3 5.272 -1.193 -13.866 12 1HG2 THR 3 HG21 THR 3 3.375 -2.117 -13.366 13 2HG2 THR 3 HG22 THR 3 2.420 -1.434 -12.060 14 3HG2 THR 3 HG23 THR 3 2.629 -0.514 -13.569 15 H TRP 4 H TRP 4 1.999 2.025 -12.162 16 HA TRP 4 HA TRP 4 0.562 1.425 -9.650 17 1HB TRP 4 HB1 TRP 4 -0.178 3.028 -12.117 18 2HB TRP 4 HB2 TRP 4 -1.365 2.567 -10.912 19 HD1 TRP 4 HD1 TRP 4 1.435 4.990 -11.498 20 HE1 TRP 4 HE1 TRP 4 1.628 6.648 -9.537 21 HE3 TRP 4 HE3 TRP 4 -1.964 2.885 -8.273 22 HZ2 TRP 4 HZ2 TRP 4 0.632 6.895 -6.859 23 HZ3 TRP 4 HZ3 TRP 4 -2.287 3.844 -6.008 24 HH2 TRP 4 HH2 TRP 4 -0.978 5.828 -5.283 25 H GLU 5 H GLU 5 -1.141 0.179 -9.470 26 HA GLU 5 HA GLU 5 -1.906 -1.826 -11.540 27 1HB GLU 5 HB1 GLU 5 -1.059 -2.084 -8.627 28 2HB GLU 5 HB2 GLU 5 -2.057 -3.315 -9.382 29 1HG GLU 5 HG1 GLU 5 0.663 -2.438 -10.459 30 2HG GLU 5 HG2 GLU 5 0.435 -3.758 -9.321 31 H GLY 6 H GLY 6 -3.535 -0.022 -11.835 32 1HA GLY 6 HA1 GLY 6 -5.621 0.936 -11.542 33 2HA GLY 6 HA2 GLY 6 -6.058 -0.443 -10.517 34 H ASN 7 H ASN 7 -6.272 -0.047 -8.318 35 HA ASN 7 HA ASN 7 -5.680 2.691 -7.360 36 1HB ASN 7 HB1 ASN 7 -7.247 2.424 -5.730 37 2HB ASN 7 HB2 ASN 7 -7.934 1.513 -7.059 38 1HD2 ASN 7 HD22 ASN 7 -6.006 1.101 -4.049 39 2HD2 ASN 7 HD21 ASN 7 -6.876 -0.386 -3.597 40 H LYS 8 H LYS 8 -3.808 0.038 -7.537 41 HA LYS 8 HA LYS 8 -2.494 0.271 -4.860 42 1HB LYS 8 HB1 LYS 8 -3.579 -1.871 -5.439 43 2HB LYS 8 HB2 LYS 8 -2.715 -1.912 -6.965 44 1HG LYS 8 HG1 LYS 8 -0.559 -2.170 -5.721 45 2HG LYS 8 HG2 LYS 8 -1.503 -2.312 -4.217 46 1HD LYS 8 HD1 LYS 8 -2.645 -4.297 -5.058 47 2HD LYS 8 HD2 LYS 8 -1.985 -4.051 -6.686 48 1HE LYS 8 HE1 LYS 8 0.306 -4.395 -5.816 49 2HE LYS 8 HE2 LYS 8 -0.366 -4.739 -4.208 50 1HZ LYS 8 HZ1 LYS 8 -1.006 -6.247 -6.644 51 2HZ LYS 8 HZ2 LYS 8 0.108 -6.707 -5.519 52 3HZ LYS 8 HZ3 LYS 8 -1.485 -6.604 -5.108 53 H LEU 9 H LEU 9 -0.169 0.488 -4.830 54 HA LEU 9 HA LEU 9 1.143 1.064 -7.456 55 1HB LEU 9 HB1 LEU 9 0.921 3.108 -6.098 56 2HB LEU 9 HB2 LEU 9 1.688 2.295 -4.735 57 HG LEU 9 HG LEU 9 3.791 2.066 -6.125 58 1HD1 LEU 9 HD11 LEU 9 2.685 2.354 -8.399 59 2HD1 LEU 9 HD12 LEU 9 2.424 4.046 -7.987 60 3HD1 LEU 9 HD13 LEU 9 4.071 3.417 -8.127 61 1HD2 LEU 9 HD21 LEU 9 3.525 3.842 -4.466 62 2HD2 LEU 9 HD22 LEU 9 4.490 4.370 -5.852 63 3HD2 LEU 9 HD23 LEU 9 2.794 4.897 -5.700 64 H THR 10 H THR 10 3.170 0.243 -7.819 65 HA THR 10 HA THR 10 4.269 -1.658 -5.827 66 HB THR 10 HB THR 10 4.616 -3.315 -7.636 67 HG1 THR 10 HG1 THR 10 3.247 -1.374 -9.166 68 1HG2 THR 10 HG21 THR 10 2.318 -4.140 -7.744 69 2HG2 THR 10 HG22 THR 10 2.662 -3.507 -6.123 70 3HG2 THR 10 HG23 THR 10 1.685 -2.560 -7.265 71 H CYS 11 H CYS 11 6.452 -1.439 -5.564 72 HA CYS 11 HA CYS 11 8.087 -0.159 -7.676 73 1HB CYS 11 HB1 CYS 11 7.827 0.718 -4.783 74 2HB CYS 11 HB2 CYS 11 9.096 1.274 -5.865 75 1HN NH2 12 HN1 NH2 12 10.362 -0.741 -7.500 76 2HN NH2 12 HN2 NH2 12 10.856 -2.025 -6.393 Start of MODEL 9 1 1H ACE 1 HA1 ACE 1 11.979 0.589 -10.054 2 2H ACE 1 HA2 ACE 1 11.335 1.790 -11.196 3 3H ACE 1 HA3 ACE 1 11.720 2.261 -9.515 4 H CYS 2 H CYS 2 9.183 2.705 -10.691 5 HA CYS 2 HA CYS 2 7.452 0.808 -9.205 6 1HB CYS 2 HB1 CYS 2 7.352 3.827 -9.129 7 2HB CYS 2 HB2 CYS 2 6.196 2.764 -8.329 8 H THR 3 H THR 3 5.291 0.774 -9.715 9 HA THR 3 HA THR 3 4.345 1.918 -12.297 10 HB THR 3 HB THR 3 3.222 -0.315 -12.709 11 HG1 THR 3 HG1 THR 3 5.039 -1.106 -10.671 12 1HG2 THR 3 HG21 THR 3 6.264 -0.440 -12.702 13 2HG2 THR 3 HG22 THR 3 5.151 -1.432 -13.668 14 3HG2 THR 3 HG23 THR 3 5.257 0.314 -13.958 15 H TRP 4 H TRP 4 1.904 1.593 -12.472 16 HA TRP 4 HA TRP 4 0.536 1.868 -9.830 17 1HB TRP 4 HB1 TRP 4 0.413 3.481 -12.364 18 2HB TRP 4 HB2 TRP 4 -1.093 3.165 -11.536 19 HD1 TRP 4 HD1 TRP 4 1.543 5.644 -11.604 20 HE1 TRP 4 HE1 TRP 4 1.260 7.303 -9.657 21 HE3 TRP 4 HE3 TRP 4 -1.616 2.907 -8.652 22 HZ2 TRP 4 HZ2 TRP 4 -0.292 7.499 -7.237 23 HZ3 TRP 4 HZ3 TRP 4 -2.509 3.871 -6.540 24 HH2 TRP 4 HH2 TRP 4 -1.876 6.166 -5.843 25 H GLU 5 H GLU 5 -0.772 0.176 -9.443 26 HA GLU 5 HA GLU 5 -1.820 -1.412 -11.745 27 1HB GLU 5 HB1 GLU 5 0.143 -2.418 -10.680 28 2HB GLU 5 HB2 GLU 5 -0.643 -2.337 -9.104 29 1HG GLU 5 HG1 GLU 5 -0.851 -4.576 -9.839 30 2HG GLU 5 HG2 GLU 5 -2.454 -3.878 -10.045 31 H GLY 6 H GLY 6 -3.891 -0.788 -11.815 32 1HA GLY 6 HA1 GLY 6 -6.125 -0.665 -11.292 33 2HA GLY 6 HA2 GLY 6 -5.806 -1.624 -9.842 34 H ASN 7 H ASN 7 -5.172 -0.560 -7.949 35 HA ASN 7 HA ASN 7 -5.258 2.372 -7.772 36 1HB ASN 7 HB1 ASN 7 -7.019 2.477 -6.091 37 2HB ASN 7 HB2 ASN 7 -7.622 1.804 -7.598 38 1HD2 ASN 7 HD22 ASN 7 -6.295 0.775 -4.427 39 2HD2 ASN 7 HD21 ASN 7 -7.417 -0.613 -4.302 40 H LYS 8 H LYS 8 -3.269 0.175 -7.383 41 HA LYS 8 HA LYS 8 -2.222 1.173 -4.784 42 1HB LYS 8 HB1 LYS 8 -3.145 -1.129 -4.524 43 2HB LYS 8 HB2 LYS 8 -2.114 -1.687 -5.827 44 1HG LYS 8 HG1 LYS 8 -0.439 -0.418 -3.806 45 2HG LYS 8 HG2 LYS 8 -1.569 -1.504 -3.000 46 1HD LYS 8 HD1 LYS 8 -0.888 -3.344 -4.570 47 2HD LYS 8 HD2 LYS 8 0.276 -2.223 -5.305 48 1HE LYS 8 HE1 LYS 8 1.315 -1.966 -2.998 49 2HE LYS 8 HE2 LYS 8 0.298 -3.322 -2.467 50 1HZ LYS 8 HZ1 LYS 8 1.985 -3.557 -4.831 51 2HZ LYS 8 HZ2 LYS 8 2.632 -3.768 -3.330 52 3HZ LYS 8 HZ3 LYS 8 1.411 -4.750 -3.849 53 H LEU 9 H LEU 9 0.012 1.530 -4.812 54 HA LEU 9 HA LEU 9 1.316 1.731 -7.460 55 1HB LEU 9 HB1 LEU 9 1.327 3.646 -5.830 56 2HB LEU 9 HB2 LEU 9 2.204 2.625 -4.691 57 HG LEU 9 HG LEU 9 3.993 2.405 -6.601 58 1HD1 LEU 9 HD11 LEU 9 2.467 3.535 -8.343 59 2HD1 LEU 9 HD12 LEU 9 2.731 5.044 -7.471 60 3HD1 LEU 9 HD13 LEU 9 4.107 4.188 -8.203 61 1HD2 LEU 9 HD21 LEU 9 4.332 3.647 -4.490 62 2HD2 LEU 9 HD22 LEU 9 5.101 4.459 -5.862 63 3HD2 LEU 9 HD23 LEU 9 3.566 5.081 -5.209 64 H THR 10 H THR 10 2.851 0.341 -8.115 65 HA THR 10 HA THR 10 3.799 -1.822 -6.287 66 HB THR 10 HB THR 10 4.032 -3.035 -8.640 67 HG1 THR 10 HG1 THR 10 3.149 -1.648 -10.057 68 1HG2 THR 10 HG21 THR 10 1.353 -2.826 -7.240 69 2HG2 THR 10 HG22 THR 10 1.968 -4.176 -8.213 70 3HG2 THR 10 HG23 THR 10 2.731 -3.803 -6.659 71 H CYS 11 H CYS 11 5.692 -1.046 -5.661 72 HA CYS 11 HA CYS 11 7.794 -0.402 -7.658 73 1HB CYS 11 HB1 CYS 11 7.786 -0.180 -4.643 74 2HB CYS 11 HB2 CYS 11 9.064 0.368 -5.718 75 1HN NH2 12 HN1 NH2 12 7.214 -2.972 -8.060 76 2HN NH2 12 HN2 NH2 12 8.385 -4.010 -7.247 Start of MODEL 10 1 1H ACE 1 HA1 ACE 1 11.442 1.532 -10.677 2 2H ACE 1 HA2 ACE 1 11.395 -0.247 -10.757 3 3H ACE 1 HA3 ACE 1 10.486 0.705 -11.944 4 H CYS 2 H CYS 2 8.931 2.342 -10.845 5 HA CYS 2 HA CYS 2 7.247 0.685 -9.092 6 1HB CYS 2 HB1 CYS 2 7.411 3.699 -9.008 7 2HB CYS 2 HB2 CYS 2 6.286 2.715 -8.071 8 H THR 3 H THR 3 5.100 0.517 -9.754 9 HA THR 3 HA THR 3 4.207 2.021 -12.195 10 HB THR 3 HB THR 3 4.232 -0.994 -11.790 11 HG1 THR 3 HG1 THR 3 5.972 0.553 -12.744 12 1HG2 THR 3 HG21 THR 3 3.214 -1.196 -14.019 13 2HG2 THR 3 HG22 THR 3 2.085 -0.417 -12.915 14 3HG2 THR 3 HG23 THR 3 2.980 0.560 -14.104 15 H TRP 4 H TRP 4 1.927 2.177 -12.439 16 HA TRP 4 HA TRP 4 0.421 2.020 -9.888 17 1HB TRP 4 HB1 TRP 4 0.199 3.657 -12.411 18 2HB TRP 4 HB2 TRP 4 -1.231 3.363 -11.438 19 HD1 TRP 4 HD1 TRP 4 1.675 5.644 -11.613 20 HE1 TRP 4 HE1 TRP 4 1.688 7.228 -9.586 21 HE3 TRP 4 HE3 TRP 4 -1.691 3.199 -8.626 22 HZ2 TRP 4 HZ2 TRP 4 0.331 7.475 -7.064 23 HZ3 TRP 4 HZ3 TRP 4 -2.314 4.136 -6.409 24 HH2 TRP 4 HH2 TRP 4 -1.329 6.279 -5.633 25 H GLU 5 H GLU 5 -0.849 0.342 -9.541 26 HA GLU 5 HA GLU 5 -1.880 -1.246 -11.857 27 1HB GLU 5 HB1 GLU 5 -0.489 -2.186 -9.331 28 2HB GLU 5 HB2 GLU 5 -1.419 -3.251 -10.410 29 1HG GLU 5 HG1 GLU 5 0.003 -2.605 -12.322 30 2HG GLU 5 HG2 GLU 5 0.940 -1.525 -11.287 31 H GLY 6 H GLY 6 -3.836 -0.333 -11.819 32 1HA GLY 6 HA1 GLY 6 -6.093 -0.456 -11.460 33 2HA GLY 6 HA2 GLY 6 -5.792 -1.660 -10.202 34 H ASN 7 H ASN 7 -4.854 -0.712 -8.170 35 HA ASN 7 HA ASN 7 -5.754 2.018 -7.469 36 1HB ASN 7 HB1 ASN 7 -7.204 1.357 -5.700 37 2HB ASN 7 HB2 ASN 7 -7.727 0.518 -7.154 38 1HD2 ASN 7 HD22 ASN 7 -7.744 -0.031 -4.004 39 2HD2 ASN 7 HD21 ASN 7 -7.273 -1.736 -4.036 40 H LYS 8 H LYS 8 -3.203 -0.047 -7.375 41 HA LYS 8 HA LYS 8 -2.109 1.390 -4.996 42 1HB LYS 8 HB1 LYS 8 -0.836 -0.537 -4.306 43 2HB LYS 8 HB2 LYS 8 -2.547 -0.958 -4.314 44 1HG LYS 8 HG1 LYS 8 -2.273 -2.149 -6.455 45 2HG LYS 8 HG2 LYS 8 -0.577 -1.679 -6.545 46 1HD LYS 8 HD1 LYS 8 -1.803 -3.490 -4.426 47 2HD LYS 8 HD2 LYS 8 -0.886 -4.011 -5.844 48 1HE LYS 8 HE1 LYS 8 1.122 -2.821 -4.994 49 2HE LYS 8 HE2 LYS 8 0.211 -2.343 -3.549 50 1HZ LYS 8 HZ1 LYS 8 0.771 -5.102 -4.382 51 2HZ LYS 8 HZ2 LYS 8 1.524 -4.289 -3.162 52 3HZ LYS 8 HZ3 LYS 8 -0.078 -4.656 -3.041 53 H LEU 9 H LEU 9 0.191 1.601 -4.977 54 HA LEU 9 HA LEU 9 1.454 1.721 -7.675 55 1HB LEU 9 HB1 LEU 9 1.415 3.873 -6.349 56 2HB LEU 9 HB2 LEU 9 2.285 3.039 -5.058 57 HG LEU 9 HG LEU 9 4.102 2.523 -6.859 58 1HD1 LEU 9 HD11 LEU 9 2.580 3.317 -8.796 59 2HD1 LEU 9 HD12 LEU 9 2.910 4.955 -8.220 60 3HD1 LEU 9 HD13 LEU 9 4.243 3.930 -8.775 61 1HD2 LEU 9 HD21 LEU 9 4.444 4.124 -5.029 62 2HD2 LEU 9 HD22 LEU 9 5.186 4.696 -6.532 63 3HD2 LEU 9 HD23 LEU 9 3.648 5.399 -5.980 64 H THR 10 H THR 10 3.045 0.249 -8.053 65 HA THR 10 HA THR 10 3.927 -1.506 -5.778 66 HB THR 10 HB THR 10 3.446 -2.472 -8.617 67 HG1 THR 10 HG1 THR 10 1.469 -2.046 -7.998 68 1HG2 THR 10 HG21 THR 10 3.227 -4.665 -7.353 69 2HG2 THR 10 HG22 THR 10 4.864 -3.983 -7.347 70 3HG2 THR 10 HG23 THR 10 3.824 -3.833 -5.908 71 H CYS 11 H CYS 11 6.016 -1.318 -5.416 72 HA CYS 11 HA CYS 11 7.853 -0.456 -7.569 73 1HB CYS 11 HB1 CYS 11 8.129 -0.379 -4.564 74 2HB CYS 11 HB2 CYS 11 9.364 0.148 -5.699 75 1HN NH2 12 HN1 NH2 12 10.071 -1.402 -7.574 76 2HN NH2 12 HN2 NH2 12 10.244 -3.104 -7.152 Start of MODEL 11 1 1H ACE 1 HA1 ACE 1 11.912 1.088 -10.029 2 2H ACE 1 HA2 ACE 1 11.148 0.822 -11.609 3 3H ACE 1 HA3 ACE 1 11.176 2.456 -10.893 4 H CYS 2 H CYS 2 8.975 2.817 -10.628 5 HA CYS 2 HA CYS 2 7.350 0.804 -9.186 6 1HB CYS 2 HB1 CYS 2 7.463 3.766 -8.607 7 2HB CYS 2 HB2 CYS 2 6.357 2.627 -7.838 8 H THR 3 H THR 3 5.170 0.733 -9.706 9 HA THR 3 HA THR 3 4.178 2.539 -11.832 10 HB THR 3 HB THR 3 5.392 0.582 -12.866 11 HG1 THR 3 HG1 THR 3 3.954 0.611 -14.475 12 1HG2 THR 3 HG21 THR 3 2.875 -0.993 -12.184 13 2HG2 THR 3 HG22 THR 3 4.242 -1.508 -13.185 14 3HG2 THR 3 HG23 THR 3 4.470 -1.274 -11.444 15 H TRP 4 H TRP 4 1.903 2.243 -12.340 16 HA TRP 4 HA TRP 4 0.333 1.955 -9.852 17 1HB TRP 4 HB1 TRP 4 -0.307 3.183 -12.552 18 2HB TRP 4 HB2 TRP 4 -1.481 2.998 -11.256 19 HD1 TRP 4 HD1 TRP 4 1.455 5.134 -12.279 20 HE1 TRP 4 HE1 TRP 4 1.840 7.013 -10.566 21 HE3 TRP 4 HE3 TRP 4 -1.855 3.640 -8.675 22 HZ2 TRP 4 HZ2 TRP 4 0.884 7.736 -7.942 23 HZ3 TRP 4 HZ3 TRP 4 -2.059 4.904 -6.554 24 HH2 TRP 4 HH2 TRP 4 -0.698 6.953 -6.176 25 H GLU 5 H GLU 5 -0.975 0.370 -9.415 26 HA GLU 5 HA GLU 5 -1.683 -1.677 -11.474 27 1HB GLU 5 HB1 GLU 5 0.272 -2.230 -10.037 28 2HB GLU 5 HB2 GLU 5 -0.758 -2.142 -8.608 29 1HG GLU 5 HG1 GLU 5 -1.976 -4.085 -9.227 30 2HG GLU 5 HG2 GLU 5 -1.515 -3.949 -10.930 31 H GLY 6 H GLY 6 -3.804 -0.962 -11.742 32 1HA GLY 6 HA1 GLY 6 -6.079 -1.083 -11.371 33 2HA GLY 6 HA2 GLY 6 -5.761 -1.935 -9.857 34 H ASN 7 H ASN 7 -4.937 -0.583 -8.107 35 HA ASN 7 HA ASN 7 -5.830 2.278 -7.994 36 1HB ASN 7 HB1 ASN 7 -6.560 0.240 -5.838 37 2HB ASN 7 HB2 ASN 7 -7.068 1.925 -5.924 38 1HD2 ASN 7 HD22 ASN 7 -8.490 2.475 -7.975 39 2HD2 ASN 7 HD21 ASN 7 -9.557 1.144 -8.436 40 H LYS 8 H LYS 8 -3.315 0.108 -7.455 41 HA LYS 8 HA LYS 8 -2.265 1.602 -5.072 42 1HB LYS 8 HB1 LYS 8 -1.809 -1.266 -5.934 43 2HB LYS 8 HB2 LYS 8 -1.187 -0.516 -4.464 44 1HG LYS 8 HG1 LYS 8 -3.423 -0.282 -3.534 45 2HG LYS 8 HG2 LYS 8 -4.175 -0.897 -5.009 46 1HD LYS 8 HD1 LYS 8 -2.300 -2.465 -3.198 47 2HD LYS 8 HD2 LYS 8 -4.056 -2.619 -3.231 48 1HE LYS 8 HE1 LYS 8 -2.299 -3.160 -5.664 49 2HE LYS 8 HE2 LYS 8 -2.743 -4.400 -4.488 50 1HZ LYS 8 HZ1 LYS 8 -5.042 -3.954 -4.985 51 2HZ LYS 8 HZ2 LYS 8 -4.613 -2.847 -6.131 52 3HZ LYS 8 HZ3 LYS 8 -4.210 -4.434 -6.322 53 H LEU 9 H LEU 9 0.059 1.522 -4.852 54 HA LEU 9 HA LEU 9 1.615 1.833 -7.372 55 1HB LEU 9 HB1 LEU 9 1.449 3.767 -5.811 56 2HB LEU 9 HB2 LEU 9 1.971 2.738 -4.488 57 HG LEU 9 HG LEU 9 4.183 2.465 -5.981 58 1HD1 LEU 9 HD11 LEU 9 3.200 3.887 -7.863 59 2HD1 LEU 9 HD12 LEU 9 3.244 5.264 -6.739 60 3HD1 LEU 9 HD13 LEU 9 4.751 4.456 -7.210 61 1HD2 LEU 9 HD21 LEU 9 3.382 4.819 -4.224 62 2HD2 LEU 9 HD22 LEU 9 4.219 3.330 -3.744 63 3HD2 LEU 9 HD23 LEU 9 5.053 4.525 -4.751 64 H THR 10 H THR 10 2.896 0.118 -7.891 65 HA THR 10 HA THR 10 3.996 -1.628 -5.697 66 HB THR 10 HB THR 10 3.273 -2.389 -8.555 67 HG1 THR 10 HG1 THR 10 1.851 -3.798 -7.431 68 1HG2 THR 10 HG21 THR 10 3.872 -4.691 -7.959 69 2HG2 THR 10 HG22 THR 10 5.290 -3.665 -7.813 70 3HG2 THR 10 HG23 THR 10 4.413 -4.172 -6.351 71 H CYS 11 H CYS 11 6.220 -2.158 -5.868 72 HA CYS 11 HA CYS 11 7.781 -0.696 -7.940 73 1HB CYS 11 HB1 CYS 11 8.442 -1.031 -5.011 74 2HB CYS 11 HB2 CYS 11 9.506 -0.310 -6.214 75 1HN NH2 12 HN1 NH2 12 9.859 -1.652 -8.492 76 2HN NH2 12 HN2 NH2 12 10.031 -3.403 -8.335 Start of MODEL 12 1 1H ACE 1 HA1 ACE 1 11.806 2.296 -10.263 2 2H ACE 1 HA2 ACE 1 11.735 0.752 -11.140 3 3H ACE 1 HA3 ACE 1 10.962 2.191 -11.834 4 H CYS 2 H CYS 2 9.103 3.062 -10.724 5 HA CYS 2 HA CYS 2 7.545 1.082 -9.128 6 1HB CYS 2 HB1 CYS 2 7.484 4.102 -9.226 7 2HB CYS 2 HB2 CYS 2 6.248 3.148 -8.408 8 H THR 3 H THR 3 5.431 0.633 -9.775 9 HA THR 3 HA THR 3 4.353 2.028 -12.168 10 HB THR 3 HB THR 3 5.371 -0.074 -12.992 11 HG1 THR 3 HG1 THR 3 2.895 -0.724 -13.538 12 1HG2 THR 3 HG21 THR 3 4.138 -2.209 -12.660 13 2HG2 THR 3 HG22 THR 3 4.983 -1.676 -11.208 14 3HG2 THR 3 HG23 THR 3 3.217 -1.469 -11.338 15 H TRP 4 H TRP 4 2.033 1.569 -12.490 16 HA TRP 4 HA TRP 4 0.527 1.614 -9.900 17 1HB TRP 4 HB1 TRP 4 0.023 2.959 -12.583 18 2HB TRP 4 HB2 TRP 4 -1.253 2.730 -11.400 19 HD1 TRP 4 HD1 TRP 4 1.594 4.993 -12.183 20 HE1 TRP 4 HE1 TRP 4 1.815 6.815 -10.379 21 HE3 TRP 4 HE3 TRP 4 -1.676 3.114 -8.725 22 HZ2 TRP 4 HZ2 TRP 4 0.698 7.390 -7.783 23 HZ3 TRP 4 HZ3 TRP 4 -2.067 4.303 -6.582 24 HH2 TRP 4 HH2 TRP 4 -0.912 6.458 -6.116 25 H GLU 5 H GLU 5 -1.175 0.341 -9.579 26 HA GLU 5 HA GLU 5 -2.215 -1.441 -11.733 27 1HB GLU 5 HB1 GLU 5 -1.325 -2.308 -8.951 28 2HB GLU 5 HB2 GLU 5 -2.097 -3.331 -10.161 29 1HG GLU 5 HG1 GLU 5 0.671 -2.064 -10.317 30 2HG GLU 5 HG2 GLU 5 0.297 -3.760 -10.053 31 H GLY 6 H GLY 6 -4.226 -0.437 -11.844 32 1HA GLY 6 HA1 GLY 6 -6.476 -0.331 -11.396 33 2HA GLY 6 HA2 GLY 6 -6.193 -1.423 -10.042 34 H ASN 7 H ASN 7 -5.228 -0.363 -8.107 35 HA ASN 7 HA ASN 7 -5.847 2.495 -7.682 36 1HB ASN 7 HB1 ASN 7 -7.593 0.364 -6.691 37 2HB ASN 7 HB2 ASN 7 -6.877 1.216 -5.335 38 1HD2 ASN 7 HD22 ASN 7 -8.066 2.244 -8.629 39 2HD2 ASN 7 HD21 ASN 7 -9.139 3.462 -7.896 40 H LYS 8 H LYS 8 -3.532 0.291 -7.548 41 HA LYS 8 HA LYS 8 -2.244 1.217 -4.977 42 1HB LYS 8 HB1 LYS 8 -2.445 -1.563 -6.212 43 2HB LYS 8 HB2 LYS 8 -1.468 -1.150 -4.807 44 1HG LYS 8 HG1 LYS 8 -4.515 -0.857 -4.907 45 2HG LYS 8 HG2 LYS 8 -3.651 -2.245 -4.255 46 1HD LYS 8 HD1 LYS 8 -2.444 -0.685 -2.675 47 2HD LYS 8 HD2 LYS 8 -3.499 0.627 -3.215 48 1HE LYS 8 HE1 LYS 8 -4.406 -1.962 -1.889 49 2HE LYS 8 HE2 LYS 8 -4.205 -0.399 -1.081 50 1HZ LYS 8 HZ1 LYS 8 -5.900 0.495 -2.507 51 2HZ LYS 8 HZ2 LYS 8 -6.119 -0.975 -3.227 52 3HZ LYS 8 HZ3 LYS 8 -6.460 -0.780 -1.627 53 H LEU 9 H LEU 9 -0.025 0.850 -4.899 54 HA LEU 9 HA LEU 9 1.454 1.260 -7.470 55 1HB LEU 9 HB1 LEU 9 1.209 3.156 -5.736 56 2HB LEU 9 HB2 LEU 9 2.286 2.189 -4.722 57 HG LEU 9 HG LEU 9 3.883 2.146 -6.780 58 1HD1 LEU 9 HD11 LEU 9 1.935 3.109 -8.309 59 2HD1 LEU 9 HD12 LEU 9 2.453 4.659 -7.649 60 3HD1 LEU 9 HD13 LEU 9 3.598 3.632 -8.545 61 1HD2 LEU 9 HD21 LEU 9 3.248 4.636 -5.177 62 2HD2 LEU 9 HD22 LEU 9 4.541 3.440 -4.930 63 3HD2 LEU 9 HD23 LEU 9 4.623 4.559 -6.302 64 H THR 10 H THR 10 3.280 0.060 -7.829 65 HA THR 10 HA THR 10 4.305 -1.759 -5.686 66 HB THR 10 HB THR 10 4.681 -3.522 -7.330 67 HG1 THR 10 HG1 THR 10 4.596 -1.766 -9.045 68 1HG2 THR 10 HG21 THR 10 2.391 -4.249 -7.829 69 2HG2 THR 10 HG22 THR 10 2.499 -3.626 -6.167 70 3HG2 THR 10 HG23 THR 10 1.764 -2.638 -7.453 71 H CYS 11 H CYS 11 6.585 -1.638 -5.528 72 HA CYS 11 HA CYS 11 8.042 -0.237 -7.719 73 1HB CYS 11 HB1 CYS 11 8.364 0.102 -4.732 74 2HB CYS 11 HB2 CYS 11 9.434 0.782 -5.952 75 1HN NH2 12 HN1 NH2 12 10.043 -1.032 -8.295 76 2HN NH2 12 HN2 NH2 12 10.689 -2.515 -7.596 Start of MODEL 13 1 1H ACE 1 HA1 ACE 1 11.692 2.833 -10.102 2 2H ACE 1 HA2 ACE 1 11.301 2.084 -11.666 3 3H ACE 1 HA3 ACE 1 10.611 3.666 -11.244 4 H CYS 2 H CYS 2 8.533 3.560 -10.599 5 HA CYS 2 HA CYS 2 7.512 1.034 -9.454 6 1HB CYS 2 HB1 CYS 2 6.610 3.775 -8.577 7 2HB CYS 2 HB2 CYS 2 6.189 2.226 -7.843 8 H THR 3 H THR 3 5.306 0.597 -9.811 9 HA THR 3 HA THR 3 3.932 2.027 -12.048 10 HB THR 3 HB THR 3 5.154 0.216 -13.098 11 HG1 THR 3 HG1 THR 3 2.954 -1.106 -13.367 12 1HG2 THR 3 HG21 THR 3 4.658 -2.165 -12.597 13 2HG2 THR 3 HG22 THR 3 5.513 -1.365 -11.278 14 3HG2 THR 3 HG23 THR 3 3.770 -1.671 -11.136 15 H TRP 4 H TRP 4 1.703 1.148 -12.306 16 HA TRP 4 HA TRP 4 0.374 1.069 -9.619 17 1HB TRP 4 HB1 TRP 4 -0.481 2.283 -12.254 18 2HB TRP 4 HB2 TRP 4 -1.582 2.016 -10.910 19 HD1 TRP 4 HD1 TRP 4 1.291 4.238 -11.972 20 HE1 TRP 4 HE1 TRP 4 1.481 6.239 -10.369 21 HE3 TRP 4 HE3 TRP 4 -2.116 2.784 -8.446 22 HZ2 TRP 4 HZ2 TRP 4 0.285 7.107 -7.889 23 HZ3 TRP 4 HZ3 TRP 4 -2.540 4.190 -6.446 24 HH2 TRP 4 HH2 TRP 4 -1.352 6.352 -6.162 25 H GLU 5 H GLU 5 -1.235 -0.296 -9.239 26 HA GLU 5 HA GLU 5 -2.012 -2.397 -11.222 27 1HB GLU 5 HB1 GLU 5 -2.484 -2.539 -8.226 28 2HB GLU 5 HB2 GLU 5 -2.568 -3.815 -9.437 29 1HG GLU 5 HG1 GLU 5 -0.589 -4.299 -8.334 30 2HG GLU 5 HG2 GLU 5 -0.016 -3.442 -9.766 31 H GLY 6 H GLY 6 -2.917 0.260 -11.349 32 1HA GLY 6 HA1 GLY 6 -4.923 1.375 -11.846 33 2HA GLY 6 HA2 GLY 6 -5.844 0.029 -11.154 34 H ASN 7 H ASN 7 -5.545 -0.244 -8.778 35 HA ASN 7 HA ASN 7 -6.221 2.348 -7.493 36 1HB ASN 7 HB1 ASN 7 -7.764 0.369 -7.704 37 2HB ASN 7 HB2 ASN 7 -6.731 -0.525 -6.603 38 1HD2 ASN 7 HD22 ASN 7 -6.330 1.646 -4.596 39 2HD2 ASN 7 HD21 ASN 7 -7.958 1.773 -3.894 40 H LYS 8 H LYS 8 -3.631 0.095 -7.383 41 HA LYS 8 HA LYS 8 -2.416 1.355 -4.938 42 1HB LYS 8 HB1 LYS 8 -2.535 -1.613 -5.666 43 2HB LYS 8 HB2 LYS 8 -1.386 -0.933 -4.525 44 1HG LYS 8 HG1 LYS 8 -2.861 -1.539 -2.996 45 2HG LYS 8 HG2 LYS 8 -3.620 0.007 -3.361 46 1HD LYS 8 HD1 LYS 8 -5.228 -1.161 -4.863 47 2HD LYS 8 HD2 LYS 8 -4.439 -2.710 -4.525 48 1HE LYS 8 HE1 LYS 8 -5.617 -0.935 -2.350 49 2HE LYS 8 HE2 LYS 8 -6.562 -2.178 -3.186 50 1HZ LYS 8 HZ1 LYS 8 -4.104 -2.692 -1.668 51 2HZ LYS 8 HZ2 LYS 8 -5.637 -2.952 -1.124 52 3HZ LYS 8 HZ3 LYS 8 -5.060 -3.821 -2.398 53 H LEU 9 H LEU 9 0.006 1.100 -4.892 54 HA LEU 9 HA LEU 9 1.274 1.041 -7.593 55 1HB LEU 9 HB1 LEU 9 1.149 3.287 -7.012 56 2HB LEU 9 HB2 LEU 9 1.500 3.022 -5.322 57 HG LEU 9 HG LEU 9 3.669 2.480 -7.379 58 1HD1 LEU 9 HD11 LEU 9 2.927 5.212 -6.263 59 2HD1 LEU 9 HD12 LEU 9 4.406 4.828 -7.170 60 3HD1 LEU 9 HD13 LEU 9 2.834 4.693 -7.963 61 1HD2 LEU 9 HD21 LEU 9 3.606 3.298 -4.439 62 2HD2 LEU 9 HD22 LEU 9 4.405 1.893 -5.174 63 3HD2 LEU 9 HD23 LEU 9 5.058 3.505 -5.425 64 H THR 10 H THR 10 3.159 -0.093 -7.824 65 HA THR 10 HA THR 10 4.536 -1.104 -5.404 66 HB THR 10 HB THR 10 4.945 -3.305 -6.608 67 HG1 THR 10 HG1 THR 10 2.655 -2.477 -8.041 68 1HG2 THR 10 HG21 THR 10 2.886 -4.317 -5.796 69 2HG2 THR 10 HG22 THR 10 3.451 -3.087 -4.652 70 3HG2 THR 10 HG23 THR 10 2.091 -2.731 -5.724 71 H CYS 11 H CYS 11 6.786 -1.581 -5.669 72 HA CYS 11 HA CYS 11 8.023 -0.253 -8.027 73 1HB CYS 11 HB1 CYS 11 9.036 -0.377 -5.175 74 2HB CYS 11 HB2 CYS 11 9.807 0.469 -6.509 75 1HN NH2 12 HN1 NH2 12 10.174 -1.007 -8.686 76 2HN NH2 12 HN2 NH2 12 10.602 -2.682 -8.331 Start of MODEL 14 1 1H ACE 1 HA1 ACE 1 10.542 2.039 -12.187 2 2H ACE 1 HA2 ACE 1 11.266 2.846 -10.766 3 3H ACE 1 HA3 ACE 1 11.553 1.114 -11.054 4 H CYS 2 H CYS 2 8.606 3.133 -11.139 5 HA CYS 2 HA CYS 2 7.285 1.197 -9.322 6 1HB CYS 2 HB1 CYS 2 7.077 4.211 -9.357 7 2HB CYS 2 HB2 CYS 2 5.903 3.165 -8.563 8 H THR 3 H THR 3 5.185 0.725 -9.734 9 HA THR 3 HA THR 3 3.907 1.663 -12.254 10 HB THR 3 HB THR 3 4.849 -1.082 -11.498 11 HG1 THR 3 HG1 THR 3 4.901 -0.940 -13.932 12 1HG2 THR 3 HG21 THR 3 3.364 -2.140 -13.152 13 2HG2 THR 3 HG22 THR 3 2.487 -1.555 -11.749 14 3HG2 THR 3 HG23 THR 3 2.413 -0.635 -13.272 15 H TRP 4 H TRP 4 1.830 1.998 -12.075 16 HA TRP 4 HA TRP 4 0.373 1.455 -9.564 17 1HB TRP 4 HB1 TRP 4 -0.336 2.972 -12.105 18 2HB TRP 4 HB2 TRP 4 -1.485 2.648 -10.814 19 HD1 TRP 4 HD1 TRP 4 1.294 4.974 -11.742 20 HE1 TRP 4 HE1 TRP 4 1.526 6.808 -9.952 21 HE3 TRP 4 HE3 TRP 4 -1.619 2.908 -8.086 22 HZ2 TRP 4 HZ2 TRP 4 0.467 7.372 -7.337 23 HZ3 TRP 4 HZ3 TRP 4 -1.978 4.108 -5.934 24 HH2 TRP 4 HH2 TRP 4 -0.961 6.346 -5.563 25 H GLU 5 H GLU 5 -0.746 -0.326 -9.266 26 HA GLU 5 HA GLU 5 -1.660 -1.956 -11.612 27 1HB GLU 5 HB1 GLU 5 -1.089 -2.759 -8.741 28 2HB GLU 5 HB2 GLU 5 -1.751 -3.828 -9.982 29 1HG GLU 5 HG1 GLU 5 0.854 -2.429 -10.598 30 2HG GLU 5 HG2 GLU 5 0.880 -3.687 -9.386 31 H GLY 6 H GLY 6 -3.254 -0.331 -11.868 32 1HA GLY 6 HA1 GLY 6 -5.434 0.462 -11.715 33 2HA GLY 6 HA2 GLY 6 -5.769 -0.733 -10.451 34 H ASN 7 H ASN 7 -5.813 -0.073 -8.389 35 HA ASN 7 HA ASN 7 -5.394 2.820 -7.809 36 1HB ASN 7 HB1 ASN 7 -7.062 0.683 -6.420 37 2HB ASN 7 HB2 ASN 7 -7.002 2.388 -5.966 38 1HD2 ASN 7 HD22 ASN 7 -7.993 4.000 -7.435 39 2HD2 ASN 7 HD21 ASN 7 -9.120 3.377 -8.646 40 H LYS 8 H LYS 8 -3.595 0.112 -7.397 41 HA LYS 8 HA LYS 8 -2.412 0.865 -4.726 42 1HB LYS 8 HB1 LYS 8 -2.740 -1.798 -6.174 43 2HB LYS 8 HB2 LYS 8 -1.575 -1.554 -4.886 44 1HG LYS 8 HG1 LYS 8 -3.479 -2.662 -4.021 45 2HG LYS 8 HG2 LYS 8 -3.342 -1.080 -3.264 46 1HD LYS 8 HD1 LYS 8 -5.282 -0.259 -4.363 47 2HD LYS 8 HD2 LYS 8 -5.253 -1.553 -5.586 48 1HE LYS 8 HE1 LYS 8 -5.722 -3.223 -3.800 49 2HE LYS 8 HE2 LYS 8 -5.774 -1.918 -2.604 50 1HZ LYS 8 HZ1 LYS 8 -7.607 -0.984 -3.933 51 2HZ LYS 8 HZ2 LYS 8 -7.618 -2.362 -4.841 52 3HZ LYS 8 HZ3 LYS 8 -7.948 -2.435 -3.230 53 H LEU 9 H LEU 9 -0.209 1.283 -4.704 54 HA LEU 9 HA LEU 9 1.213 1.373 -7.311 55 1HB LEU 9 HB1 LEU 9 1.126 3.407 -5.840 56 2HB LEU 9 HB2 LEU 9 1.954 2.496 -4.579 57 HG LEU 9 HG LEU 9 3.880 2.161 -6.285 58 1HD1 LEU 9 HD11 LEU 9 2.345 4.379 -7.695 59 2HD1 LEU 9 HD12 LEU 9 3.986 3.873 -8.084 60 3HD1 LEU 9 HD13 LEU 9 2.648 2.750 -8.341 61 1HD2 LEU 9 HD21 LEU 9 3.137 4.874 -5.154 62 2HD2 LEU 9 HD22 LEU 9 4.241 3.647 -4.489 63 3HD2 LEU 9 HD23 LEU 9 4.699 4.545 -5.939 64 H THR 10 H THR 10 2.912 0.033 -7.787 65 HA THR 10 HA THR 10 4.172 -1.490 -5.567 66 HB THR 10 HB THR 10 4.315 -3.495 -6.871 67 HG1 THR 10 HG1 THR 10 2.949 -1.996 -8.848 68 1HG2 THR 10 HG21 THR 10 1.406 -2.618 -7.069 69 2HG2 THR 10 HG22 THR 10 2.051 -4.253 -6.848 70 3HG2 THR 10 HG23 THR 10 2.185 -3.066 -5.537 71 H CYS 11 H CYS 11 6.471 -1.873 -5.851 72 HA CYS 11 HA CYS 11 7.727 -0.388 -8.090 73 1HB CYS 11 HB1 CYS 11 8.253 0.092 -5.141 74 2HB CYS 11 HB2 CYS 11 9.134 0.835 -6.470 75 1HN NH2 12 HN1 NH2 12 9.974 -0.830 -8.430 76 2HN NH2 12 HN2 NH2 12 10.710 -2.270 -7.721 Start of MODEL 15 1 1H ACE 1 HA1 ACE 1 11.237 2.371 -11.403 2 2H ACE 1 HA2 ACE 1 11.738 2.869 -9.764 3 3H ACE 1 HA3 ACE 1 12.121 1.242 -10.361 4 H CYS 2 H CYS 2 9.070 3.056 -10.654 5 HA CYS 2 HA CYS 2 7.660 0.851 -9.286 6 1HB CYS 2 HB1 CYS 2 7.081 3.779 -8.814 7 2HB CYS 2 HB2 CYS 2 6.262 2.444 -8.017 8 H THR 3 H THR 3 5.357 0.853 -9.652 9 HA THR 3 HA THR 3 4.348 2.022 -12.188 10 HB THR 3 HB THR 3 3.404 -0.282 -12.765 11 HG1 THR 3 HG1 THR 3 5.401 -1.043 -10.911 12 1HG2 THR 3 HG21 THR 3 5.498 -1.096 -13.808 13 2HG2 THR 3 HG22 THR 3 5.210 0.632 -14.083 14 3HG2 THR 3 HG23 THR 3 6.420 0.112 -12.892 15 H TRP 4 H TRP 4 1.909 1.121 -12.409 16 HA TRP 4 HA TRP 4 0.476 1.362 -9.799 17 1HB TRP 4 HB1 TRP 4 -0.092 2.862 -12.381 18 2HB TRP 4 HB2 TRP 4 -1.297 2.586 -11.137 19 HD1 TRP 4 HD1 TRP 4 1.605 4.807 -11.938 20 HE1 TRP 4 HE1 TRP 4 1.730 6.705 -10.199 21 HE3 TRP 4 HE3 TRP 4 -1.846 3.082 -8.584 22 HZ2 TRP 4 HZ2 TRP 4 0.658 7.260 -7.576 23 HZ3 TRP 4 HZ3 TRP 4 -2.191 4.240 -6.414 24 HH2 TRP 4 HH2 TRP 4 -0.936 6.319 -5.896 25 H GLU 5 H GLU 5 -1.105 0.119 -9.506 26 HA GLU 5 HA GLU 5 -2.169 -1.712 -11.606 27 1HB GLU 5 HB1 GLU 5 -1.263 -2.366 -8.767 28 2HB GLU 5 HB2 GLU 5 -2.188 -3.439 -9.808 29 1HG GLU 5 HG1 GLU 5 0.141 -4.088 -9.740 30 2HG GLU 5 HG2 GLU 5 -0.364 -3.665 -11.371 31 H GLY 6 H GLY 6 -3.932 -0.217 -11.744 32 1HA GLY 6 HA1 GLY 6 -6.160 0.167 -11.555 33 2HA GLY 6 HA2 GLY 6 -6.230 -1.158 -10.406 34 H ASN 7 H ASN 7 -5.175 -0.334 -8.193 35 HA ASN 7 HA ASN 7 -5.952 2.424 -7.429 36 1HB ASN 7 HB1 ASN 7 -7.940 0.809 -7.115 37 2HB ASN 7 HB2 ASN 7 -7.036 0.093 -5.788 38 1HD2 ASN 7 HD22 ASN 7 -6.082 2.375 -4.410 39 2HD2 ASN 7 HD21 ASN 7 -7.526 3.287 -3.891 40 H LYS 8 H LYS 8 -3.555 0.264 -7.576 41 HA LYS 8 HA LYS 8 -2.201 0.996 -4.996 42 1HB LYS 8 HB1 LYS 8 -3.161 -1.347 -5.031 43 2HB LYS 8 HB2 LYS 8 -2.282 -1.648 -6.518 44 1HG LYS 8 HG1 LYS 8 -1.046 -2.746 -4.930 45 2HG LYS 8 HG2 LYS 8 -0.108 -1.302 -5.166 46 1HD LYS 8 HD1 LYS 8 -2.093 -1.769 -2.889 47 2HD LYS 8 HD2 LYS 8 -0.347 -2.028 -2.788 48 1HE LYS 8 HE1 LYS 8 0.067 0.357 -3.226 49 2HE LYS 8 HE2 LYS 8 -1.683 0.653 -3.301 50 1HZ LYS 8 HZ1 LYS 8 -0.431 -0.517 -0.953 51 2HZ LYS 8 HZ2 LYS 8 -0.586 1.113 -1.159 52 3HZ LYS 8 HZ3 LYS 8 -1.929 0.159 -1.100 53 H LEU 9 H LEU 9 0.041 0.943 -5.075 54 HA LEU 9 HA LEU 9 1.344 1.371 -7.714 55 1HB LEU 9 HB1 LEU 9 1.090 3.474 -6.541 56 2HB LEU 9 HB2 LEU 9 1.637 2.774 -5.033 57 HG LEU 9 HG LEU 9 3.691 2.458 -7.121 58 1HD1 LEU 9 HD11 LEU 9 2.819 5.296 -6.466 59 2HD1 LEU 9 HD12 LEU 9 4.325 4.827 -7.292 60 3HD1 LEU 9 HD13 LEU 9 2.763 4.502 -8.059 61 1HD2 LEU 9 HD21 LEU 9 4.042 2.229 -4.675 62 2HD2 LEU 9 HD22 LEU 9 5.096 3.466 -5.385 63 3HD2 LEU 9 HD23 LEU 9 3.655 3.951 -4.468 64 H THR 10 H THR 10 3.232 0.186 -7.986 65 HA THR 10 HA THR 10 4.270 -1.427 -5.674 66 HB THR 10 HB THR 10 3.838 -2.529 -8.479 67 HG1 THR 10 HG1 THR 10 1.978 -2.378 -7.225 68 1HG2 THR 10 HG21 THR 10 4.430 -4.721 -7.283 69 2HG2 THR 10 HG22 THR 10 5.783 -3.633 -7.612 70 3HG2 THR 10 HG23 THR 10 5.092 -3.729 -5.972 71 H CYS 11 H CYS 11 6.515 -1.831 -5.709 72 HA CYS 11 HA CYS 11 8.132 -0.350 -7.721 73 1HB CYS 11 HB1 CYS 11 8.393 -0.337 -4.702 74 2HB CYS 11 HB2 CYS 11 9.549 0.393 -5.811 75 1HN NH2 12 HN1 NH2 12 10.340 -1.080 -7.941 76 2HN NH2 12 HN2 NH2 12 10.790 -2.691 -7.374 Start of MODEL 16 1 1H ACE 1 HA1 ACE 1 10.658 1.528 -12.088 2 2H ACE 1 HA2 ACE 1 11.434 1.947 -10.539 3 3H ACE 1 HA3 ACE 1 11.497 0.277 -11.145 4 H CYS 2 H CYS 2 8.812 2.628 -10.931 5 HA CYS 2 HA CYS 2 7.322 0.651 -9.348 6 1HB CYS 2 HB1 CYS 2 7.505 3.632 -8.903 7 2HB CYS 2 HB2 CYS 2 6.357 2.596 -8.049 8 H THR 3 H THR 3 5.027 0.701 -9.562 9 HA THR 3 HA THR 3 4.055 1.955 -12.099 10 HB THR 3 HB THR 3 3.100 -0.096 -12.819 11 HG1 THR 3 HG1 THR 3 3.908 -1.090 -10.298 12 1HG2 THR 3 HG21 THR 3 5.823 -0.985 -11.808 13 2HG2 THR 3 HG22 THR 3 4.937 -1.553 -13.232 14 3HG2 THR 3 HG23 THR 3 5.607 0.093 -13.210 15 H TRP 4 H TRP 4 1.877 2.400 -12.260 16 HA TRP 4 HA TRP 4 0.245 2.332 -9.812 17 1HB TRP 4 HB1 TRP 4 -0.034 3.646 -12.510 18 2HB TRP 4 HB2 TRP 4 -1.443 3.395 -11.483 19 HD1 TRP 4 HD1 TRP 4 1.351 5.779 -11.939 20 HE1 TRP 4 HE1 TRP 4 1.461 7.460 -9.991 21 HE3 TRP 4 HE3 TRP 4 -1.815 3.446 -8.644 22 HZ2 TRP 4 HZ2 TRP 4 0.445 7.684 -7.322 23 HZ3 TRP 4 HZ3 TRP 4 -2.193 4.403 -6.392 24 HH2 TRP 4 HH2 TRP 4 -1.046 6.496 -5.705 25 H GLU 5 H GLU 5 -0.432 0.441 -9.317 26 HA GLU 5 HA GLU 5 -1.193 -1.547 -11.382 27 1HB GLU 5 HB1 GLU 5 0.735 -2.040 -9.934 28 2HB GLU 5 HB2 GLU 5 -0.261 -1.845 -8.494 29 1HG GLU 5 HG1 GLU 5 -1.617 -3.809 -9.150 30 2HG GLU 5 HG2 GLU 5 -0.689 -3.961 -10.652 31 H GLY 6 H GLY 6 -3.255 -0.729 -11.715 32 1HA GLY 6 HA1 GLY 6 -5.539 -0.981 -11.615 33 2HA GLY 6 HA2 GLY 6 -5.333 -2.022 -10.204 34 H ASN 7 H ASN 7 -4.566 -0.686 -8.256 35 HA ASN 7 HA ASN 7 -5.698 2.022 -7.984 36 1HB ASN 7 HB1 ASN 7 -7.175 1.504 -6.124 37 2HB ASN 7 HB2 ASN 7 -7.647 0.551 -7.523 38 1HD2 ASN 7 HD22 ASN 7 -5.549 0.308 -4.599 39 2HD2 ASN 7 HD21 ASN 7 -6.030 -1.380 -4.273 40 H LYS 8 H LYS 8 -3.085 0.295 -7.647 41 HA LYS 8 HA LYS 8 -2.198 1.232 -4.927 42 1HB LYS 8 HB1 LYS 8 -2.932 -1.184 -5.131 43 2HB LYS 8 HB2 LYS 8 -1.694 -1.427 -6.366 44 1HG LYS 8 HG1 LYS 8 0.078 -1.036 -4.775 45 2HG LYS 8 HG2 LYS 8 -1.077 -0.471 -3.548 46 1HD LYS 8 HD1 LYS 8 -2.025 -2.689 -3.305 47 2HD LYS 8 HD2 LYS 8 -1.127 -3.296 -4.707 48 1HE LYS 8 HE1 LYS 8 -0.075 -4.049 -2.630 49 2HE LYS 8 HE2 LYS 8 1.003 -2.960 -3.521 50 1HZ LYS 8 HZ1 LYS 8 0.166 -1.187 -2.061 51 2HZ LYS 8 HZ2 LYS 8 -0.622 -2.322 -1.163 52 3HZ LYS 8 HZ3 LYS 8 1.027 -2.350 -1.269 53 H LEU 9 H LEU 9 0.144 1.418 -4.756 54 HA LEU 9 HA LEU 9 1.509 1.967 -7.353 55 1HB LEU 9 HB1 LEU 9 1.143 4.026 -5.985 56 2HB LEU 9 HB2 LEU 9 2.130 3.302 -4.710 57 HG LEU 9 HG LEU 9 3.995 3.054 -6.501 58 1HD1 LEU 9 HD11 LEU 9 2.492 3.452 -8.516 59 2HD1 LEU 9 HD12 LEU 9 2.270 5.104 -7.939 60 3HD1 LEU 9 HD13 LEU 9 3.874 4.551 -8.439 61 1HD2 LEU 9 HD21 LEU 9 3.031 5.853 -5.784 62 2HD2 LEU 9 HD22 LEU 9 4.070 4.817 -4.778 63 3HD2 LEU 9 HD23 LEU 9 4.668 5.427 -6.331 64 H THR 10 H THR 10 2.484 0.112 -7.771 65 HA THR 10 HA THR 10 3.847 -1.361 -5.543 66 HB THR 10 HB THR 10 2.841 -2.536 -8.153 67 HG1 THR 10 HG1 THR 10 1.158 -3.320 -6.862 68 1HG2 THR 10 HG21 THR 10 3.609 -3.835 -5.492 69 2HG2 THR 10 HG22 THR 10 3.107 -4.674 -6.974 70 3HG2 THR 10 HG23 THR 10 4.654 -3.820 -6.930 71 H CYS 11 H CYS 11 5.978 -1.753 -5.670 72 HA CYS 11 HA CYS 11 7.408 -0.818 -8.088 73 1HB CYS 11 HB1 CYS 11 8.350 -1.081 -5.220 74 2HB CYS 11 HB2 CYS 11 9.329 -0.471 -6.550 75 1HN NH2 12 HN1 NH2 12 9.190 -2.041 -8.933 76 2HN NH2 12 HN2 NH2 12 9.277 -3.764 -8.554 Start of MODEL 17 1 1H ACE 1 HA1 ACE 1 11.622 2.116 -10.739 2 2H ACE 1 HA2 ACE 1 12.103 0.569 -10.014 3 3H ACE 1 HA3 ACE 1 11.415 0.588 -11.650 4 H CYS 2 H CYS 2 9.267 2.429 -11.137 5 HA CYS 2 HA CYS 2 7.532 0.779 -9.379 6 1HB CYS 2 HB1 CYS 2 7.604 3.798 -9.489 7 2HB CYS 2 HB2 CYS 2 6.514 2.832 -8.492 8 H THR 3 H THR 3 5.434 0.594 -9.888 9 HA THR 3 HA THR 3 4.318 1.760 -12.410 10 HB THR 3 HB THR 3 3.484 -0.497 -13.043 11 HG1 THR 3 HG1 THR 3 4.104 -1.172 -10.707 12 1HG2 THR 3 HG21 THR 3 6.509 -0.622 -12.814 13 2HG2 THR 3 HG22 THR 3 5.463 -1.316 -14.067 14 3HG2 THR 3 HG23 THR 3 5.683 0.446 -13.973 15 H TRP 4 H TRP 4 2.118 2.214 -12.263 16 HA TRP 4 HA TRP 4 0.700 1.645 -9.738 17 1HB TRP 4 HB1 TRP 4 0.000 3.263 -12.207 18 2HB TRP 4 HB2 TRP 4 -1.143 2.933 -10.920 19 HD1 TRP 4 HD1 TRP 4 1.890 5.068 -11.686 20 HE1 TRP 4 HE1 TRP 4 2.122 6.899 -9.896 21 HE3 TRP 4 HE3 TRP 4 -1.579 3.381 -8.324 22 HZ2 TRP 4 HZ2 TRP 4 0.917 7.580 -7.370 23 HZ3 TRP 4 HZ3 TRP 4 -1.926 4.566 -6.177 24 HH2 TRP 4 HH2 TRP 4 -0.728 6.699 -5.712 25 H GLU 5 H GLU 5 -1.144 0.432 -9.538 26 HA GLU 5 HA GLU 5 -1.973 -1.386 -11.757 27 1HB GLU 5 HB1 GLU 5 -0.866 -2.114 -9.033 28 2HB GLU 5 HB2 GLU 5 -1.910 -3.219 -9.944 29 1HG GLU 5 HG1 GLU 5 -0.358 -3.272 -11.811 30 2HG GLU 5 HG2 GLU 5 0.702 -2.092 -11.034 31 H GLY 6 H GLY 6 -3.770 0.136 -11.779 32 1HA GLY 6 HA1 GLY 6 -6.028 0.480 -11.517 33 2HA GLY 6 HA2 GLY 6 -6.078 -0.951 -10.485 34 H ASN 7 H ASN 7 -5.362 -0.647 -8.284 35 HA ASN 7 HA ASN 7 -6.491 1.848 -6.990 36 1HB ASN 7 HB1 ASN 7 -7.855 -0.320 -7.171 37 2HB ASN 7 HB2 ASN 7 -6.752 -0.996 -5.977 38 1HD2 ASN 7 HD22 ASN 7 -6.488 1.175 -4.135 39 2HD2 ASN 7 HD21 ASN 7 -8.138 1.441 -3.508 40 H LYS 8 H LYS 8 -3.656 0.038 -7.401 41 HA LYS 8 HA LYS 8 -2.419 1.150 -4.940 42 1HB LYS 8 HB1 LYS 8 -1.333 -0.888 -4.394 43 2HB LYS 8 HB2 LYS 8 -3.047 -1.256 -4.554 44 1HG LYS 8 HG1 LYS 8 -2.607 -2.129 -6.876 45 2HG LYS 8 HG2 LYS 8 -0.885 -1.840 -6.640 46 1HD LYS 8 HD1 LYS 8 -2.629 -3.689 -4.955 47 2HD LYS 8 HD2 LYS 8 -1.533 -4.211 -6.239 48 1HE LYS 8 HE1 LYS 8 -0.714 -2.773 -3.682 49 2HE LYS 8 HE2 LYS 8 -0.524 -4.505 -3.992 50 1HZ LYS 8 HZ1 LYS 8 0.690 -2.420 -5.656 51 2HZ LYS 8 HZ2 LYS 8 1.467 -3.133 -4.390 52 3HZ LYS 8 HZ3 LYS 8 1.000 -4.038 -5.693 53 H LEU 9 H LEU 9 -0.042 0.813 -5.034 54 HA LEU 9 HA LEU 9 1.192 1.269 -7.698 55 1HB LEU 9 HB1 LEU 9 0.915 3.418 -6.501 56 2HB LEU 9 HB2 LEU 9 1.606 2.723 -5.045 57 HG LEU 9 HG LEU 9 3.807 2.504 -6.173 58 1HD1 LEU 9 HD11 LEU 9 2.401 3.878 -8.487 59 2HD1 LEU 9 HD12 LEU 9 4.159 3.716 -8.340 60 3HD1 LEU 9 HD13 LEU 9 3.152 2.279 -8.497 61 1HD2 LEU 9 HD21 LEU 9 2.554 5.278 -6.289 62 2HD2 LEU 9 HD22 LEU 9 3.354 4.524 -4.891 63 3HD2 LEU 9 HD23 LEU 9 4.297 4.938 -6.330 64 H THR 10 H THR 10 3.079 0.066 -7.982 65 HA THR 10 HA THR 10 4.279 -1.158 -5.538 66 HB THR 10 HB THR 10 2.970 -2.883 -6.634 67 HG1 THR 10 HG1 THR 10 4.723 -4.314 -6.931 68 1HG2 THR 10 HG21 THR 10 4.788 -2.563 -9.053 69 2HG2 THR 10 HG22 THR 10 3.519 -3.780 -8.816 70 3HG2 THR 10 HG23 THR 10 3.070 -2.086 -8.998 71 H CYS 11 H CYS 11 6.382 -1.403 -5.501 72 HA CYS 11 HA CYS 11 8.098 -0.319 -7.662 73 1HB CYS 11 HB1 CYS 11 8.342 0.175 -4.686 74 2HB CYS 11 HB2 CYS 11 9.585 0.584 -5.858 75 1HN NH2 12 HN1 NH2 12 7.206 -3.143 -6.826 76 2HN NH2 12 HN2 NH2 12 8.737 -3.955 -6.509 Start of MODEL 18 1 1H ACE 1 HA1 ACE 1 11.081 0.817 -11.789 2 2H ACE 1 HA2 ACE 1 10.556 2.486 -12.102 3 3H ACE 1 HA3 ACE 1 11.580 2.121 -10.690 4 H CYS 2 H CYS 2 8.611 3.084 -11.260 5 HA CYS 2 HA CYS 2 7.299 1.339 -9.228 6 1HB CYS 2 HB1 CYS 2 7.253 4.316 -9.667 7 2HB CYS 2 HB2 CYS 2 5.994 3.492 -8.761 8 H THR 3 H THR 3 5.379 0.542 -9.673 9 HA THR 3 HA THR 3 4.026 1.145 -12.264 10 HB THR 3 HB THR 3 4.333 -1.559 -10.899 11 HG1 THR 3 HG1 THR 3 5.626 -2.019 -12.651 12 1HG2 THR 3 HG21 THR 3 3.437 -2.422 -13.086 13 2HG2 THR 3 HG22 THR 3 2.243 -1.493 -12.176 14 3HG2 THR 3 HG23 THR 3 3.079 -0.750 -13.560 15 H TRP 4 H TRP 4 2.008 1.735 -12.105 16 HA TRP 4 HA TRP 4 0.398 1.422 -9.659 17 1HB TRP 4 HB1 TRP 4 0.031 2.859 -12.314 18 2HB TRP 4 HB2 TRP 4 -1.309 2.597 -11.209 19 HD1 TRP 4 HD1 TRP 4 1.408 5.011 -11.833 20 HE1 TRP 4 HE1 TRP 4 1.552 6.724 -9.916 21 HE3 TRP 4 HE3 TRP 4 -1.586 2.662 -8.420 22 HZ2 TRP 4 HZ2 TRP 4 0.429 7.067 -7.277 23 HZ3 TRP 4 HZ3 TRP 4 -1.986 3.674 -6.189 24 HH2 TRP 4 HH2 TRP 4 -1.015 5.880 -5.622 25 H GLU 5 H GLU 5 -1.116 -0.057 -9.400 26 HA GLU 5 HA GLU 5 -2.097 -1.698 -11.719 27 1HB GLU 5 HB1 GLU 5 -1.727 -2.573 -8.832 28 2HB GLU 5 HB2 GLU 5 -2.327 -3.549 -10.182 29 1HG GLU 5 HG1 GLU 5 -0.087 -3.190 -11.322 30 2HG GLU 5 HG2 GLU 5 0.491 -2.453 -9.819 31 H GLY 6 H GLY 6 -3.590 0.197 -11.840 32 1HA GLY 6 HA1 GLY 6 -5.799 0.829 -11.886 33 2HA GLY 6 HA2 GLY 6 -6.188 -0.599 -10.932 34 H ASN 7 H ASN 7 -4.951 -0.114 -8.603 35 HA ASN 7 HA ASN 7 -5.566 2.627 -7.596 36 1HB ASN 7 HB1 ASN 7 -7.551 0.995 -7.314 37 2HB ASN 7 HB2 ASN 7 -6.572 0.149 -6.131 38 1HD2 ASN 7 HD22 ASN 7 -5.470 2.538 -4.727 39 2HD2 ASN 7 HD21 ASN 7 -6.924 3.213 -3.957 40 H LYS 8 H LYS 8 -3.602 -0.230 -7.418 41 HA LYS 8 HA LYS 8 -2.303 0.596 -4.850 42 1HB LYS 8 HB1 LYS 8 -2.501 -1.984 -6.435 43 2HB LYS 8 HB2 LYS 8 -1.231 -1.758 -5.243 44 1HG LYS 8 HG1 LYS 8 -3.167 -3.017 -4.394 45 2HG LYS 8 HG2 LYS 8 -2.748 -1.602 -3.426 46 1HD LYS 8 HD1 LYS 8 -4.655 -0.370 -4.250 47 2HD LYS 8 HD2 LYS 8 -5.007 -1.623 -5.469 48 1HE LYS 8 HE1 LYS 8 -5.434 -3.243 -3.636 49 2HE LYS 8 HE2 LYS 8 -5.132 -1.965 -2.444 50 1HZ LYS 8 HZ1 LYS 8 -7.236 -1.893 -4.495 51 2HZ LYS 8 HZ2 LYS 8 -7.470 -2.287 -2.912 52 3HZ LYS 8 HZ3 LYS 8 -6.982 -0.766 -3.318 53 H LEU 9 H LEU 9 -0.102 0.883 -4.685 54 HA LEU 9 HA LEU 9 1.414 1.317 -7.211 55 1HB LEU 9 HB1 LEU 9 0.892 3.132 -5.264 56 2HB LEU 9 HB2 LEU 9 2.351 2.440 -4.579 57 HG LEU 9 HG LEU 9 2.165 3.539 -7.429 58 1HD1 LEU 9 HD11 LEU 9 1.704 5.295 -5.676 59 2HD1 LEU 9 HD12 LEU 9 3.268 4.933 -4.943 60 3HD1 LEU 9 HD13 LEU 9 3.185 5.585 -6.597 61 1HD2 LEU 9 HD21 LEU 9 4.535 2.946 -5.609 62 2HD2 LEU 9 HD22 LEU 9 4.128 2.100 -7.126 63 3HD2 LEU 9 HD23 LEU 9 4.628 3.794 -7.159 64 H THR 10 H THR 10 3.076 0.040 -7.629 65 HA THR 10 HA THR 10 4.370 -1.559 -5.455 66 HB THR 10 HB THR 10 4.801 -3.330 -7.145 67 HG1 THR 10 HG1 THR 10 3.376 -1.542 -8.757 68 1HG2 THR 10 HG21 THR 10 2.527 -4.280 -7.320 69 2HG2 THR 10 HG22 THR 10 2.905 -3.724 -5.683 70 3HG2 THR 10 HG23 THR 10 1.837 -2.757 -6.730 71 H CYS 11 H CYS 11 6.764 -1.653 -5.663 72 HA CYS 11 HA CYS 11 7.888 -0.223 -7.991 73 1HB CYS 11 HB1 CYS 11 8.515 0.499 -5.121 74 2HB CYS 11 HB2 CYS 11 9.358 1.116 -6.538 75 1HN NH2 12 HN1 NH2 12 10.183 -0.545 -8.302 76 2HN NH2 12 HN2 NH2 12 10.986 -1.937 -7.573 Start of MODEL 19 1 1H ACE 1 HA1 ACE 1 11.783 1.193 -10.822 2 2H ACE 1 HA2 ACE 1 10.687 0.992 -12.204 3 3H ACE 1 HA3 ACE 1 11.035 2.623 -11.569 4 H CYS 2 H CYS 2 8.654 2.746 -11.466 5 HA CYS 2 HA CYS 2 7.390 1.152 -9.326 6 1HB CYS 2 HB1 CYS 2 7.177 4.130 -9.762 7 2HB CYS 2 HB2 CYS 2 6.054 3.232 -8.749 8 H THR 3 H THR 3 5.180 0.730 -9.620 9 HA THR 3 HA THR 3 3.929 1.277 -12.284 10 HB THR 3 HB THR 3 3.055 -1.191 -11.991 11 HG1 THR 3 HG1 THR 3 5.448 -1.210 -10.505 12 1HG2 THR 3 HG21 THR 3 5.874 -0.778 -13.019 13 2HG2 THR 3 HG22 THR 3 4.722 -2.070 -13.448 14 3HG2 THR 3 HG23 THR 3 4.374 -0.398 -13.902 15 H TRP 4 H TRP 4 1.781 1.772 -12.141 16 HA TRP 4 HA TRP 4 0.314 1.351 -9.585 17 1HB TRP 4 HB1 TRP 4 -0.382 2.745 -12.171 18 2HB TRP 4 HB2 TRP 4 -1.583 2.336 -10.950 19 HD1 TRP 4 HD1 TRP 4 1.140 4.804 -11.650 20 HE1 TRP 4 HE1 TRP 4 1.255 6.569 -9.780 21 HE3 TRP 4 HE3 TRP 4 -2.070 2.655 -8.312 22 HZ2 TRP 4 HZ2 TRP 4 0.165 6.940 -7.126 23 HZ3 TRP 4 HZ3 TRP 4 -2.435 3.670 -6.070 24 HH2 TRP 4 HH2 TRP 4 -1.318 5.813 -5.473 25 H GLU 5 H GLU 5 -1.211 -0.201 -9.383 26 HA GLU 5 HA GLU 5 -1.827 -2.057 -11.667 27 1HB GLU 5 HB1 GLU 5 -2.302 -2.483 -8.701 28 2HB GLU 5 HB2 GLU 5 -2.455 -3.676 -9.995 29 1HG GLU 5 HG1 GLU 5 -0.016 -3.600 -10.385 30 2HG GLU 5 HG2 GLU 5 0.164 -2.371 -9.120 31 H GLY 6 H GLY 6 -2.933 0.640 -11.101 32 1HA GLY 6 HA1 GLY 6 -5.074 1.551 -11.643 33 2HA GLY 6 HA2 GLY 6 -5.872 0.108 -10.978 34 H ASN 7 H ASN 7 -5.929 -0.158 -8.651 35 HA ASN 7 HA ASN 7 -5.896 2.427 -7.234 36 1HB ASN 7 HB1 ASN 7 -7.422 1.455 -5.726 37 2HB ASN 7 HB2 ASN 7 -7.896 0.888 -7.321 38 1HD2 ASN 7 HD22 ASN 7 -6.508 -0.057 -4.210 39 2HD2 ASN 7 HD21 ASN 7 -6.700 -1.793 -4.521 40 H LYS 8 H LYS 8 -3.423 0.394 -7.594 41 HA LYS 8 HA LYS 8 -2.316 0.688 -4.834 42 1HB LYS 8 HB1 LYS 8 -3.476 -1.549 -5.148 43 2HB LYS 8 HB2 LYS 8 -2.408 -1.872 -6.503 44 1HG LYS 8 HG1 LYS 8 -1.433 -3.070 -4.773 45 2HG LYS 8 HG2 LYS 8 -0.459 -1.604 -4.800 46 1HD LYS 8 HD1 LYS 8 -2.080 -0.718 -2.956 47 2HD LYS 8 HD2 LYS 8 -2.703 -2.370 -2.887 48 1HE LYS 8 HE1 LYS 8 -1.069 -2.194 -1.169 49 2HE LYS 8 HE2 LYS 8 -0.308 -3.150 -2.453 50 1HZ LYS 8 HZ1 LYS 8 0.042 -0.262 -2.386 51 2HZ LYS 8 HZ2 LYS 8 0.921 -1.204 -1.358 52 3HZ LYS 8 HZ3 LYS 8 1.052 -1.416 -2.990 53 H LEU 9 H LEU 9 0.018 0.767 -4.802 54 HA LEU 9 HA LEU 9 1.336 0.991 -7.458 55 1HB LEU 9 HB1 LEU 9 1.080 3.203 -6.250 56 2HB LEU 9 HB2 LEU 9 2.110 2.558 -4.971 57 HG LEU 9 HG LEU 9 3.947 2.258 -6.681 58 1HD1 LEU 9 HD11 LEU 9 2.086 2.528 -8.646 59 2HD1 LEU 9 HD12 LEU 9 2.586 4.193 -8.533 60 3HD1 LEU 9 HD13 LEU 9 3.793 2.941 -8.868 61 1HD2 LEU 9 HD21 LEU 9 2.842 5.065 -6.276 62 2HD2 LEU 9 HD22 LEU 9 4.106 4.240 -5.329 63 3HD2 LEU 9 HD23 LEU 9 4.426 4.723 -7.000 64 H THR 10 H THR 10 3.013 -0.192 -7.850 65 HA THR 10 HA THR 10 4.402 -1.686 -5.687 66 HB THR 10 HB THR 10 4.948 -3.216 -7.816 67 HG1 THR 10 HG1 THR 10 3.738 -2.152 -9.385 68 1HG2 THR 10 HG21 THR 10 3.063 -4.659 -7.160 69 2HG2 THR 10 HG22 THR 10 3.860 -3.971 -5.733 70 3HG2 THR 10 HG23 THR 10 2.312 -3.300 -6.294 71 H CYS 11 H CYS 11 6.447 -0.968 -5.380 72 HA CYS 11 HA CYS 11 7.951 0.150 -7.702 73 1HB CYS 11 HB1 CYS 11 8.189 0.745 -4.757 74 2HB CYS 11 HB2 CYS 11 9.343 1.282 -5.973 75 1HN NH2 12 HN1 NH2 12 9.965 -0.715 -8.191 76 2HN NH2 12 HN2 NH2 12 10.520 -2.204 -7.420 Start of MODEL 20 1 1H ACE 1 HA1 ACE 1 11.081 0.953 -11.665 2 2H ACE 1 HA2 ACE 1 11.735 0.225 -10.173 3 3H ACE 1 HA3 ACE 1 11.030 -0.811 -11.428 4 H CYS 2 H CYS 2 9.262 2.060 -11.061 5 HA CYS 2 HA CYS 2 7.307 0.794 -9.194 6 1HB CYS 2 HB1 CYS 2 7.991 3.694 -9.652 7 2HB CYS 2 HB2 CYS 2 6.561 3.166 -8.773 8 H THR 3 H THR 3 5.260 0.592 -9.804 9 HA THR 3 HA THR 3 4.185 1.940 -12.236 10 HB THR 3 HB THR 3 4.312 -1.038 -11.670 11 HG1 THR 3 HG1 THR 3 5.168 -0.991 -13.750 12 1HG2 THR 3 HG21 THR 3 2.911 -1.346 -13.733 13 2HG2 THR 3 HG22 THR 3 2.008 -0.762 -12.332 14 3HG2 THR 3 HG23 THR 3 2.456 0.368 -13.638 15 H TRP 4 H TRP 4 2.080 2.556 -12.056 16 HA TRP 4 HA TRP 4 0.549 2.093 -9.536 17 1HB TRP 4 HB1 TRP 4 0.416 4.129 -11.767 18 2HB TRP 4 HB2 TRP 4 -1.041 3.713 -10.899 19 HD1 TRP 4 HD1 TRP 4 1.865 5.952 -10.673 20 HE1 TRP 4 HE1 TRP 4 1.681 7.398 -8.553 21 HE3 TRP 4 HE3 TRP 4 -1.814 3.367 -8.214 22 HZ2 TRP 4 HZ2 TRP 4 0.223 7.379 -6.077 23 HZ3 TRP 4 HZ3 TRP 4 -2.636 4.160 -6.006 24 HH2 TRP 4 HH2 TRP 4 -1.614 6.146 -4.924 25 H GLU 5 H GLU 5 -0.874 0.405 -9.569 26 HA GLU 5 HA GLU 5 -2.290 -0.187 -12.087 27 1HB GLU 5 HB1 GLU 5 -1.793 -2.599 -11.981 28 2HB GLU 5 HB2 GLU 5 -0.407 -1.594 -12.389 29 1HG GLU 5 HG1 GLU 5 0.494 -1.799 -10.116 30 2HG GLU 5 HG2 GLU 5 -0.927 -2.722 -9.606 31 H GLY 6 H GLY 6 -4.213 -1.157 -11.914 32 1HA GLY 6 HA1 GLY 6 -6.266 -1.595 -11.026 33 2HA GLY 6 HA2 GLY 6 -5.452 -2.244 -9.597 34 H ASN 7 H ASN 7 -4.723 -0.715 -8.042 35 HA ASN 7 HA ASN 7 -6.067 1.916 -7.789 36 1HB ASN 7 HB1 ASN 7 -7.560 -0.133 -6.977 37 2HB ASN 7 HB2 ASN 7 -6.505 -0.124 -5.572 38 1HD2 ASN 7 HD22 ASN 7 -6.236 2.691 -5.134 39 2HD2 ASN 7 HD21 ASN 7 -7.880 3.234 -4.695 40 H LYS 8 H LYS 8 -3.246 0.125 -7.408 41 HA LYS 8 HA LYS 8 -2.183 1.733 -5.091 42 1HB LYS 8 HB1 LYS 8 -1.405 -0.066 -3.961 43 2HB LYS 8 HB2 LYS 8 -3.046 -0.533 -4.352 44 1HG LYS 8 HG1 LYS 8 -0.697 -1.457 -6.057 45 2HG LYS 8 HG2 LYS 8 -1.081 -2.246 -4.538 46 1HD LYS 8 HD1 LYS 8 -3.199 -3.008 -5.290 47 2HD LYS 8 HD2 LYS 8 -3.188 -1.932 -6.696 48 1HE LYS 8 HE1 LYS 8 -1.055 -3.154 -7.441 49 2HE LYS 8 HE2 LYS 8 -1.425 -4.356 -6.190 50 1HZ LYS 8 HZ1 LYS 8 -3.533 -4.712 -7.284 51 2HZ LYS 8 HZ2 LYS 8 -3.150 -3.603 -8.446 52 3HZ LYS 8 HZ3 LYS 8 -2.275 -4.995 -8.315 53 H LEU 9 H LEU 9 0.111 1.392 -4.821 54 HA LEU 9 HA LEU 9 1.564 1.703 -7.392 55 1HB LEU 9 HB1 LEU 9 1.385 3.653 -5.852 56 2HB LEU 9 HB2 LEU 9 2.063 2.677 -4.550 57 HG LEU 9 HG LEU 9 4.187 2.457 -5.943 58 1HD1 LEU 9 HD11 LEU 9 3.157 3.160 -8.160 59 2HD1 LEU 9 HD12 LEU 9 2.989 4.796 -7.492 60 3HD1 LEU 9 HD13 LEU 9 4.599 4.081 -7.696 61 1HD2 LEU 9 HD21 LEU 9 3.247 5.232 -5.084 62 2HD2 LEU 9 HD22 LEU 9 3.980 3.999 -4.037 63 3HD2 LEU 9 HD23 LEU 9 4.942 4.748 -5.323 64 H THR 10 H THR 10 2.894 0.108 -7.926 65 HA THR 10 HA THR 10 3.954 -1.790 -5.851 66 HB THR 10 HB THR 10 3.207 -2.247 -8.757 67 HG1 THR 10 HG1 THR 10 1.627 -2.363 -7.061 68 1HG2 THR 10 HG21 THR 10 3.903 -4.628 -8.332 69 2HG2 THR 10 HG22 THR 10 5.257 -3.497 -8.445 70 3HG2 THR 10 HG23 THR 10 4.718 -4.086 -6.851 71 H CYS 11 H CYS 11 6.041 -1.521 -5.525 72 HA CYS 11 HA CYS 11 7.783 -0.546 -7.732 73 1HB CYS 11 HB1 CYS 11 8.060 0.039 -4.787 74 2HB CYS 11 HB2 CYS 11 9.236 0.445 -6.030 75 1HN NH2 12 HN1 NH2 12 8.807 -2.298 -8.517 76 2HN NH2 12 HN2 NH2 12 9.487 -3.589 -7.522
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