NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
654092 | 7jhf | 30778 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ILE 1 H ILE 1 6.979 0.913 -4.265 2 HA ILE 1 HA ILE 1 5.677 3.199 -2.939 3 HB ILE 1 HB ILE 1 4.744 0.327 -2.980 4 HG12 ILE 1 HG12 ILE 1 2.838 1.622 -4.335 5 HG13 ILE 1 HG13 ILE 1 4.201 2.653 -4.756 6 HG21 ILE 1 HG21 ILE 1 3.806 1.182 -1.069 7 HG22 ILE 1 HG22 ILE 1 3.742 2.826 -1.705 8 HG23 ILE 1 HG23 ILE 1 2.580 1.621 -2.258 9 HD11 ILE 1 HD11 ILE 1 4.698 1.218 -6.360 10 HD12 ILE 1 HD12 ILE 1 5.096 0.031 -5.117 11 HD13 ILE 1 HD13 ILE 1 3.468 0.087 -5.793 12 H PHE 2 H PHE 2 5.647 3.323 -0.708 13 HA PHE 2 HA PHE 2 7.718 1.763 0.633 14 HB2 PHE 2 HB2 PHE 2 6.187 4.205 1.554 15 HB3 PHE 2 HB3 PHE 2 7.503 3.437 2.437 16 HD1 PHE 2 HD1 PHE 2 6.741 6.126 0.453 17 HD2 PHE 2 HD2 PHE 2 9.665 3.054 0.819 18 HE1 PHE 2 HE1 PHE 2 8.361 7.528 -0.757 19 HE2 PHE 2 HE2 PHE 2 11.289 4.452 -0.388 20 HZ PHE 2 HZ PHE 2 10.639 6.692 -1.177 21 H GLY 3 H GLY 3 6.281 -0.160 0.554 22 HA2 GLY 3 HA2 GLY 3 5.417 -1.547 2.358 23 HA3 GLY 3 HA3 GLY 3 4.493 -0.156 2.903 24 H THR 4 H THR 4 4.813 -2.486 0.261 25 HA THR 4 HA THR 4 2.556 -1.864 -1.207 26 HB THR 4 HB THR 4 2.518 -4.246 -1.912 27 HG1 THR 4 HG1 THR 4 3.465 -5.714 -0.717 28 HG21 THR 4 HG21 THR 4 5.401 -3.747 -1.944 29 HG22 THR 4 HG22 THR 4 4.260 -3.881 -3.282 30 HG23 THR 4 HG23 THR 4 4.434 -2.351 -2.422 31 H ILE 5 H ILE 5 2.829 -3.826 1.718 32 HA ILE 5 HA ILE 5 0.248 -4.872 1.794 33 HB ILE 5 HB ILE 5 1.950 -4.046 4.148 34 HG12 ILE 5 HG12 ILE 5 1.715 -6.776 2.876 35 HG13 ILE 5 HG13 ILE 5 2.994 -5.635 2.473 36 HG21 ILE 5 HG21 ILE 5 -0.350 -5.988 3.966 37 HG22 ILE 5 HG22 ILE 5 0.656 -5.719 5.389 38 HG23 ILE 5 HG23 ILE 5 -0.368 -4.422 4.775 39 HD11 ILE 5 HD11 ILE 5 3.499 -5.622 4.982 40 HD12 ILE 5 HD12 ILE 5 2.507 -7.079 5.045 41 HD13 ILE 5 HD13 ILE 5 3.959 -7.043 4.044 42 H LEU 6 H LEU 6 1.489 -1.866 3.242 43 HA LEU 6 HA LEU 6 -1.014 -1.032 4.276 44 HB2 LEU 6 HB2 LEU 6 1.443 -0.261 4.792 45 HB3 LEU 6 HB3 LEU 6 1.109 0.926 3.532 46 HG LEU 6 HG LEU 6 -0.989 1.472 4.971 47 HD11 LEU 6 HD11 LEU 6 0.173 -0.546 6.542 48 HD12 LEU 6 HD12 LEU 6 0.431 0.970 7.405 49 HD13 LEU 6 HD13 LEU 6 -1.201 0.484 6.943 50 HD21 LEU 6 HD21 LEU 6 0.137 3.282 5.805 51 HD22 LEU 6 HD22 LEU 6 1.547 2.332 6.271 52 HD23 LEU 6 HD23 LEU 6 1.281 2.742 4.576 53 H GLY 7 H GLY 7 0.784 -0.156 1.336 54 HA2 GLY 7 HA2 GLY 7 -0.962 1.768 0.338 55 HA3 GLY 7 HA3 GLY 7 0.076 0.750 -0.649 56 H PHE 8 H PHE 8 -1.116 -1.746 0.089 57 HA PHE 8 HA PHE 8 -3.056 -2.014 -1.866 58 HB2 PHE 8 HB2 PHE 8 -1.887 -3.939 -0.969 59 HB3 PHE 8 HB3 PHE 8 -2.615 -3.687 0.615 60 HD1 PHE 8 HD1 PHE 8 -4.657 -4.671 1.157 61 HD2 PHE 8 HD2 PHE 8 -3.417 -4.505 -2.912 62 HE1 PHE 8 HE1 PHE 8 -6.530 -6.138 0.530 63 HE2 PHE 8 HE2 PHE 8 -5.287 -5.972 -3.546 64 HZ PHE 8 HZ PHE 8 -6.847 -6.790 -1.824 65 H LEU 9 H LEU 9 -3.424 -1.283 1.559 66 HA LEU 9 HA LEU 9 -6.148 -1.618 1.876 67 HB2 LEU 9 HB2 LEU 9 -4.522 0.628 3.053 68 HB3 LEU 9 HB3 LEU 9 -6.017 -0.048 3.695 69 HG LEU 9 HG LEU 9 -3.362 -1.474 3.541 70 HD11 LEU 9 HD11 LEU 9 -3.051 -1.042 5.777 71 HD12 LEU 9 HD12 LEU 9 -3.777 0.469 5.229 72 HD13 LEU 9 HD13 LEU 9 -4.763 -0.730 6.066 73 HD21 LEU 9 HD21 LEU 9 -6.111 -2.322 4.320 74 HD22 LEU 9 HD22 LEU 9 -4.865 -3.205 3.437 75 HD23 LEU 9 HD23 LEU 9 -4.726 -2.994 5.182 76 H LYS 10 H LYS 10 -4.414 1.257 0.713 77 HA LYS 10 HA LYS 10 -6.861 2.685 0.188 78 HB2 LYS 10 HB2 LYS 10 -3.946 3.249 -0.260 79 HB3 LYS 10 HB3 LYS 10 -5.173 4.265 -1.003 80 HG2 LYS 10 HG2 LYS 10 -6.085 4.791 1.193 81 HG3 LYS 10 HG3 LYS 10 -4.878 3.748 1.949 82 HD2 LYS 10 HD2 LYS 10 -3.975 5.943 0.140 83 HD3 LYS 10 HD3 LYS 10 -4.499 6.341 1.779 84 HE2 LYS 10 HE2 LYS 10 -2.475 4.190 1.226 85 HE3 LYS 10 HE3 LYS 10 -2.013 5.881 1.412 86 HZ1 LYS 10 HZ1 LYS 10 -3.644 5.349 3.551 87 HZ2 LYS 10 HZ2 LYS 10 -2.678 3.967 3.411 88 HZ3 LYS 10 HZ3 LYS 10 -1.958 5.489 3.580 89 H GLY 11 H GLY 11 -4.485 0.865 -1.669 90 HA2 GLY 11 HA2 GLY 11 -5.897 -0.204 -3.616 91 HA3 GLY 11 HA3 GLY 11 -5.899 1.467 -4.160 92 H LEU 12 H LEU 12 -4.054 2.354 -5.039 93 HA LEU 12 HA LEU 12 -1.790 0.504 -5.401 94 HB2 LEU 12 HB2 LEU 12 -3.079 2.370 -7.374 95 HB3 LEU 12 HB3 LEU 12 -1.470 1.692 -7.618 96 HG LEU 12 HG LEU 12 -3.993 0.063 -7.331 97 HD11 LEU 12 HD11 LEU 12 -4.285 0.084 -9.563 98 HD12 LEU 12 HD12 LEU 12 -3.441 1.628 -9.451 99 HD13 LEU 12 HD13 LEU 12 -2.556 0.170 -9.898 100 HD21 LEU 12 HD21 LEU 12 -2.122 -1.225 -6.644 101 HD22 LEU 12 HD22 LEU 12 -2.501 -1.717 -8.295 102 HD23 LEU 12 HD23 LEU 12 -1.139 -0.638 -7.986 103 HN1 NH2 13 HN1 NH2 13 -1.885 2.314 -3.294 104 HN2 NH2 13 HN2 NH2 13 -0.726 3.551 -3.502 Start of MODEL 2 1 H1 ILE 1 H ILE 1 8.137 6.620 3.024 2 HA ILE 1 HA ILE 1 9.305 5.111 0.921 3 HB ILE 1 HB ILE 1 9.540 3.855 3.655 4 HG12 ILE 1 HG12 ILE 1 11.178 5.683 3.358 5 HG13 ILE 1 HG13 ILE 1 11.954 4.105 3.424 6 HG21 ILE 1 HG21 ILE 1 9.225 2.134 2.119 7 HG22 ILE 1 HG22 ILE 1 10.164 2.950 0.868 8 HG23 ILE 1 HG23 ILE 1 10.981 2.243 2.262 9 HD11 ILE 1 HD11 ILE 1 12.390 4.112 1.116 10 HD12 ILE 1 HD12 ILE 1 11.296 5.467 0.834 11 HD13 ILE 1 HD13 ILE 1 12.815 5.723 1.693 12 H PHE 2 H PHE 2 7.955 3.486 0.187 13 HA PHE 2 HA PHE 2 5.334 3.364 1.516 14 HB2 PHE 2 HB2 PHE 2 6.170 3.042 -1.359 15 HB3 PHE 2 HB3 PHE 2 4.603 2.478 -0.787 16 HD1 PHE 2 HD1 PHE 2 6.363 5.188 -2.157 17 HD2 PHE 2 HD2 PHE 2 3.196 4.254 0.529 18 HE1 PHE 2 HE1 PHE 2 5.450 7.453 -2.452 19 HE2 PHE 2 HE2 PHE 2 2.276 6.518 0.237 20 HZ PHE 2 HZ PHE 2 3.403 8.120 -1.256 21 H GLY 3 H GLY 3 4.183 1.319 1.493 22 HA2 GLY 3 HA2 GLY 3 5.982 -1.018 1.362 23 HA3 GLY 3 HA3 GLY 3 4.907 -0.770 2.730 24 H THR 4 H THR 4 5.072 -2.981 0.777 25 HA THR 4 HA THR 4 3.007 -2.930 -1.092 26 HB THR 4 HB THR 4 3.786 -5.381 0.487 27 HG1 THR 4 HG1 THR 4 5.692 -5.234 -0.402 28 HG21 THR 4 HG21 THR 4 2.273 -4.841 -1.971 29 HG22 THR 4 HG22 THR 4 3.483 -6.115 -2.119 30 HG23 THR 4 HG23 THR 4 2.223 -6.235 -0.892 31 H ILE 5 H ILE 5 2.938 -4.027 2.293 32 HA ILE 5 HA ILE 5 0.285 -4.840 2.410 33 HB ILE 5 HB ILE 5 1.876 -3.528 4.617 34 HG12 ILE 5 HG12 ILE 5 1.514 -6.477 4.084 35 HG13 ILE 5 HG13 ILE 5 2.897 -5.563 3.493 36 HG21 ILE 5 HG21 ILE 5 0.119 -5.449 5.646 37 HG22 ILE 5 HG22 ILE 5 0.021 -3.696 5.824 38 HG23 ILE 5 HG23 ILE 5 -0.824 -4.498 4.499 39 HD11 ILE 5 HD11 ILE 5 3.918 -5.742 5.444 40 HD12 ILE 5 HD12 ILE 5 2.513 -5.111 6.303 41 HD13 ILE 5 HD13 ILE 5 2.631 -6.835 5.952 42 H LEU 6 H LEU 6 1.674 -1.619 2.893 43 HA LEU 6 HA LEU 6 -0.769 -0.366 3.614 44 HB2 LEU 6 HB2 LEU 6 1.735 0.395 3.859 45 HB3 LEU 6 HB3 LEU 6 1.437 1.140 2.290 46 HG LEU 6 HG LEU 6 -0.639 2.167 3.550 47 HD11 LEU 6 HD11 LEU 6 1.128 2.341 5.880 48 HD12 LEU 6 HD12 LEU 6 -0.625 2.174 5.790 49 HD13 LEU 6 HD13 LEU 6 0.405 0.753 5.624 50 HD21 LEU 6 HD21 LEU 6 2.189 3.154 3.909 51 HD22 LEU 6 HD22 LEU 6 1.160 3.439 2.506 52 HD23 LEU 6 HD23 LEU 6 0.727 4.127 4.071 53 H GLY 7 H GLY 7 1.096 -0.350 0.570 54 HA2 GLY 7 HA2 GLY 7 -0.647 1.155 -0.972 55 HA3 GLY 7 HA3 GLY 7 0.415 -0.093 -1.607 56 H PHE 8 H PHE 8 -0.776 -2.288 -0.214 57 HA PHE 8 HA PHE 8 -2.683 -3.114 -2.042 58 HB2 PHE 8 HB2 PHE 8 -1.388 -4.556 -0.418 59 HB3 PHE 8 HB3 PHE 8 -2.545 -4.072 0.819 60 HD1 PHE 8 HD1 PHE 8 -4.549 -5.221 1.075 61 HD2 PHE 8 HD2 PHE 8 -2.297 -5.708 -2.503 62 HE1 PHE 8 HE1 PHE 8 -6.056 -7.036 0.378 63 HE2 PHE 8 HE2 PHE 8 -3.801 -7.524 -3.207 64 HZ PHE 8 HZ PHE 8 -5.683 -8.189 -1.766 65 H LEU 9 H LEU 9 -3.127 -1.553 1.096 66 HA LEU 9 HA LEU 9 -5.909 -1.782 1.277 67 HB2 LEU 9 HB2 LEU 9 -4.116 0.415 2.299 68 HB3 LEU 9 HB3 LEU 9 -5.782 0.144 2.805 69 HG LEU 9 HG LEU 9 -3.482 -1.756 3.260 70 HD11 LEU 9 HD11 LEU 9 -4.929 -0.353 5.447 71 HD12 LEU 9 HD12 LEU 9 -3.272 -0.953 5.388 72 HD13 LEU 9 HD13 LEU 9 -3.702 0.533 4.542 73 HD21 LEU 9 HD21 LEU 9 -5.027 -3.012 4.622 74 HD22 LEU 9 HD22 LEU 9 -6.310 -1.843 4.306 75 HD23 LEU 9 HD23 LEU 9 -5.686 -2.845 2.995 76 H LYS 10 H LYS 10 -3.899 0.757 -0.169 77 HA LYS 10 HA LYS 10 -6.060 2.424 -0.935 78 HB2 LYS 10 HB2 LYS 10 -3.156 2.259 -1.576 79 HB3 LYS 10 HB3 LYS 10 -4.180 3.195 -2.658 80 HG2 LYS 10 HG2 LYS 10 -3.525 4.817 -1.196 81 HG3 LYS 10 HG3 LYS 10 -5.017 4.278 -0.422 82 HD2 LYS 10 HD2 LYS 10 -3.416 2.614 0.814 83 HD3 LYS 10 HD3 LYS 10 -2.178 3.791 0.371 84 HE2 LYS 10 HE2 LYS 10 -3.522 5.558 1.453 85 HE3 LYS 10 HE3 LYS 10 -4.691 4.335 1.951 86 HZ1 LYS 10 HZ1 LYS 10 -2.329 3.344 2.840 87 HZ2 LYS 10 HZ2 LYS 10 -2.147 5.006 3.098 88 HZ3 LYS 10 HZ3 LYS 10 -3.456 4.182 3.783 89 H GLY 11 H GLY 11 -4.304 -0.173 -2.555 90 HA2 GLY 11 HA2 GLY 11 -4.991 -1.508 -4.312 91 HA3 GLY 11 HA3 GLY 11 -6.509 -0.623 -4.339 92 H LEU 12 H LEU 12 -6.577 -0.420 -6.566 93 HA LEU 12 HA LEU 12 -4.358 0.750 -7.998 94 HB2 LEU 12 HB2 LEU 12 -7.161 0.152 -8.933 95 HB3 LEU 12 HB3 LEU 12 -5.786 0.561 -9.958 96 HG LEU 12 HG LEU 12 -6.041 -1.940 -8.287 97 HD11 LEU 12 HD11 LEU 12 -6.568 -3.110 -10.233 98 HD12 LEU 12 HD12 LEU 12 -7.554 -1.651 -10.337 99 HD13 LEU 12 HD13 LEU 12 -6.070 -1.781 -11.280 100 HD21 LEU 12 HD21 LEU 12 -3.751 -1.502 -8.461 101 HD22 LEU 12 HD22 LEU 12 -4.081 -2.608 -9.796 102 HD23 LEU 12 HD23 LEU 12 -3.901 -0.881 -10.105 103 HN1 NH2 13 HN1 NH2 13 -5.001 2.576 -9.616 104 HN2 NH2 13 HN2 NH2 13 -5.769 3.951 -8.959 Start of MODEL 3 1 H1 ILE 1 H ILE 1 7.395 4.718 -0.860 2 HA ILE 1 HA ILE 1 5.253 5.372 1.055 3 HB ILE 1 HB ILE 1 5.266 3.036 -0.860 4 HG12 ILE 1 HG12 ILE 1 4.833 5.183 -1.989 5 HG13 ILE 1 HG13 ILE 1 3.397 4.166 -1.963 6 HG21 ILE 1 HG21 ILE 1 3.917 2.130 0.672 7 HG22 ILE 1 HG22 ILE 1 3.739 3.653 1.544 8 HG23 ILE 1 HG23 ILE 1 2.724 3.315 0.141 9 HD11 ILE 1 HD11 ILE 1 3.969 6.552 -0.228 10 HD12 ILE 1 HD12 ILE 1 2.747 6.407 -1.492 11 HD13 ILE 1 HD13 ILE 1 2.594 5.470 -0.006 12 H PHE 2 H PHE 2 7.603 2.918 0.027 13 HA PHE 2 HA PHE 2 8.718 1.295 1.170 14 HB2 PHE 2 HB2 PHE 2 8.472 3.484 3.216 15 HB3 PHE 2 HB3 PHE 2 9.273 1.966 3.611 16 HD1 PHE 2 HD1 PHE 2 9.596 5.172 2.066 17 HD2 PHE 2 HD2 PHE 2 11.243 1.250 2.192 18 HE1 PHE 2 HE1 PHE 2 11.677 6.018 1.063 19 HE2 PHE 2 HE2 PHE 2 13.328 2.088 1.189 20 HZ PHE 2 HZ PHE 2 13.547 4.476 0.624 21 H GLY 3 H GLY 3 6.224 0.501 0.856 22 HA2 GLY 3 HA2 GLY 3 5.778 -1.292 2.980 23 HA3 GLY 3 HA3 GLY 3 4.657 0.052 3.136 24 H THR 4 H THR 4 5.423 -2.841 1.454 25 HA THR 4 HA THR 4 3.836 -2.569 -0.837 26 HB THR 4 HB THR 4 3.659 -5.142 -0.649 27 HG1 THR 4 HG1 THR 4 5.736 -4.810 1.245 28 HG21 THR 4 HG21 THR 4 6.224 -5.304 -1.067 29 HG22 THR 4 HG22 THR 4 5.223 -4.373 -2.182 30 HG23 THR 4 HG23 THR 4 6.174 -3.544 -0.950 31 H ILE 5 H ILE 5 3.035 -3.977 2.334 32 HA ILE 5 HA ILE 5 0.413 -4.717 1.803 33 HB ILE 5 HB ILE 5 1.490 -3.662 4.420 34 HG12 ILE 5 HG12 ILE 5 2.826 -5.528 3.529 35 HG13 ILE 5 HG13 ILE 5 1.931 -6.009 4.966 36 HG21 ILE 5 HG21 ILE 5 -1.114 -4.562 3.624 37 HG22 ILE 5 HG22 ILE 5 -0.441 -5.654 4.835 38 HG23 ILE 5 HG23 ILE 5 -0.578 -3.930 5.181 39 HD11 ILE 5 HD11 ILE 5 1.910 -7.161 2.362 40 HD12 ILE 5 HD12 ILE 5 1.113 -7.717 3.833 41 HD13 ILE 5 HD13 ILE 5 0.290 -6.588 2.758 42 H LEU 6 H LEU 6 1.592 -1.651 3.180 43 HA LEU 6 HA LEU 6 -0.898 -0.395 3.399 44 HB2 LEU 6 HB2 LEU 6 1.524 0.266 4.208 45 HB3 LEU 6 HB3 LEU 6 1.519 1.204 2.716 46 HG LEU 6 HG LEU 6 -0.683 2.205 3.610 47 HD11 LEU 6 HD11 LEU 6 -0.106 0.392 5.692 48 HD12 LEU 6 HD12 LEU 6 0.126 2.017 6.337 49 HD13 LEU 6 HD13 LEU 6 -1.414 1.572 5.602 50 HD21 LEU 6 HD21 LEU 6 0.543 3.911 4.837 51 HD22 LEU 6 HD22 LEU 6 1.934 2.835 4.972 52 HD23 LEU 6 HD23 LEU 6 1.429 3.430 3.390 53 H GLY 7 H GLY 7 1.442 -0.445 0.736 54 HA2 GLY 7 HA2 GLY 7 0.084 1.377 -0.937 55 HA3 GLY 7 HA3 GLY 7 1.253 0.177 -1.466 56 H PHE 8 H PHE 8 -0.188 -2.119 -0.558 57 HA PHE 8 HA PHE 8 -1.811 -2.585 -2.815 58 HB2 PHE 8 HB2 PHE 8 -0.555 -4.285 -1.341 59 HB3 PHE 8 HB3 PHE 8 -1.960 -4.207 -0.284 60 HD1 PHE 8 HD1 PHE 8 -4.102 -5.097 -0.991 61 HD2 PHE 8 HD2 PHE 8 -0.676 -5.330 -3.506 62 HE1 PHE 8 HE1 PHE 8 -5.248 -6.764 -2.391 63 HE2 PHE 8 HE2 PHE 8 -1.816 -6.998 -4.910 64 HZ PHE 8 HZ PHE 8 -4.106 -7.716 -4.354 65 H LEU 9 H LEU 9 -2.572 -1.779 0.536 66 HA LEU 9 HA LEU 9 -5.346 -2.143 0.421 67 HB2 LEU 9 HB2 LEU 9 -3.633 -0.314 2.083 68 HB3 LEU 9 HB3 LEU 9 -5.376 -0.452 2.303 69 HG LEU 9 HG LEU 9 -3.625 -2.876 2.473 70 HD11 LEU 9 HD11 LEU 9 -4.332 -1.358 4.934 71 HD12 LEU 9 HD12 LEU 9 -3.014 -2.493 4.646 72 HD13 LEU 9 HD13 LEU 9 -2.926 -0.856 3.997 73 HD21 LEU 9 HD21 LEU 9 -6.362 -2.433 2.618 74 HD22 LEU 9 HD22 LEU 9 -5.499 -3.889 3.112 75 HD23 LEU 9 HD23 LEU 9 -5.857 -2.632 4.296 76 H LYS 10 H LYS 10 -3.448 0.845 0.014 77 HA LYS 10 HA LYS 10 -5.666 2.454 -0.697 78 HB2 LYS 10 HB2 LYS 10 -3.999 4.098 -1.411 79 HB3 LYS 10 HB3 LYS 10 -3.576 3.408 0.150 80 HG2 LYS 10 HG2 LYS 10 -1.984 1.902 -0.983 81 HG3 LYS 10 HG3 LYS 10 -2.366 2.696 -2.513 82 HD2 LYS 10 HD2 LYS 10 -1.436 4.276 -0.141 83 HD3 LYS 10 HD3 LYS 10 -0.281 3.468 -1.204 84 HE2 LYS 10 HE2 LYS 10 -1.059 4.714 -3.096 85 HE3 LYS 10 HE3 LYS 10 -2.393 5.392 -2.165 86 HZ1 LYS 10 HZ1 LYS 10 0.425 5.855 -1.400 87 HZ2 LYS 10 HZ2 LYS 10 -0.361 6.846 -2.523 88 HZ3 LYS 10 HZ3 LYS 10 -0.949 6.731 -0.941 89 H GLY 11 H GLY 11 -3.363 0.552 -2.569 90 HA2 GLY 11 HA2 GLY 11 -3.936 1.501 -5.126 91 HA3 GLY 11 HA3 GLY 11 -3.390 -0.130 -4.761 92 H LEU 12 H LEU 12 -5.865 1.682 -6.051 93 HA LEU 12 HA LEU 12 -7.766 -0.549 -5.744 94 HB2 LEU 12 HB2 LEU 12 -8.195 2.409 -5.808 95 HB3 LEU 12 HB3 LEU 12 -9.474 1.319 -6.339 96 HG LEU 12 HG LEU 12 -8.216 1.052 -3.626 97 HD11 LEU 12 HD11 LEU 12 -10.755 2.369 -3.531 98 HD12 LEU 12 HD12 LEU 12 -9.207 2.880 -2.859 99 HD13 LEU 12 HD13 LEU 12 -9.633 3.308 -4.516 100 HD21 LEU 12 HD21 LEU 12 -9.503 -0.834 -4.212 101 HD22 LEU 12 HD22 LEU 12 -10.536 0.139 -3.165 102 HD23 LEU 12 HD23 LEU 12 -10.783 0.158 -4.912 103 HN1 NH2 13 HN1 NH2 13 -9.480 -0.416 -7.604 104 HN2 NH2 13 HN2 NH2 13 -8.870 -0.286 -9.194 Start of MODEL 4 1 H1 ILE 1 H ILE 1 5.776 6.613 4.412 2 HA ILE 1 HA ILE 1 6.821 7.615 2.076 3 HB ILE 1 HB ILE 1 8.274 5.842 4.044 4 HG12 ILE 1 HG12 ILE 1 7.202 7.740 5.149 5 HG13 ILE 1 HG13 ILE 1 8.948 7.958 5.112 6 HG21 ILE 1 HG21 ILE 1 9.146 7.485 1.738 7 HG22 ILE 1 HG22 ILE 1 10.156 7.513 3.183 8 HG23 ILE 1 HG23 ILE 1 9.812 5.982 2.378 9 HD11 ILE 1 HD11 ILE 1 7.913 10.044 4.617 10 HD12 ILE 1 HD12 ILE 1 8.652 9.434 3.136 11 HD13 ILE 1 HD13 ILE 1 6.908 9.309 3.368 12 H PHE 2 H PHE 2 6.716 4.210 3.090 13 HA PHE 2 HA PHE 2 6.534 3.333 0.363 14 HB2 PHE 2 HB2 PHE 2 8.983 3.714 0.622 15 HB3 PHE 2 HB3 PHE 2 8.994 2.545 1.938 16 HD1 PHE 2 HD1 PHE 2 8.218 2.914 -1.671 17 HD2 PHE 2 HD2 PHE 2 9.257 0.275 1.503 18 HE1 PHE 2 HE1 PHE 2 8.553 1.096 -3.296 19 HE2 PHE 2 HE2 PHE 2 9.594 -1.546 -0.116 20 HZ PHE 2 HZ PHE 2 9.241 -1.137 -2.519 21 H GLY 3 H GLY 3 5.687 1.291 0.190 22 HA2 GLY 3 HA2 GLY 3 5.784 -0.858 1.823 23 HA3 GLY 3 HA3 GLY 3 4.606 0.169 2.628 24 H THR 4 H THR 4 5.198 -1.994 0.029 25 HA THR 4 HA THR 4 3.037 -1.431 -1.656 26 HB THR 4 HB THR 4 3.287 -3.652 -2.548 27 HG1 THR 4 HG1 THR 4 3.598 -5.163 -1.096 28 HG21 THR 4 HG21 THR 4 6.033 -2.763 -1.670 29 HG22 THR 4 HG22 THR 4 5.601 -3.645 -3.136 30 HG23 THR 4 HG23 THR 4 5.110 -1.962 -2.943 31 H ILE 5 H ILE 5 3.250 -3.456 1.234 32 HA ILE 5 HA ILE 5 0.673 -4.581 1.070 33 HB ILE 5 HB ILE 5 2.306 -4.028 3.551 34 HG12 ILE 5 HG12 ILE 5 2.122 -6.599 1.979 35 HG13 ILE 5 HG13 ILE 5 3.399 -5.414 1.727 36 HG21 ILE 5 HG21 ILE 5 0.342 -4.602 4.508 37 HG22 ILE 5 HG22 ILE 5 -0.250 -5.418 3.060 38 HG23 ILE 5 HG23 ILE 5 0.892 -6.234 4.128 39 HD11 ILE 5 HD11 ILE 5 4.419 -5.893 3.708 40 HD12 ILE 5 HD12 ILE 5 2.923 -6.416 4.481 41 HD13 ILE 5 HD13 ILE 5 3.731 -7.469 3.320 42 H LEU 6 H LEU 6 1.877 -1.675 2.710 43 HA LEU 6 HA LEU 6 -0.618 -0.977 3.874 44 HB2 LEU 6 HB2 LEU 6 1.576 -0.185 4.692 45 HB3 LEU 6 HB3 LEU 6 1.736 0.796 3.237 46 HG LEU 6 HG LEU 6 -0.125 2.179 3.917 47 HD11 LEU 6 HD11 LEU 6 -1.719 1.226 5.145 48 HD12 LEU 6 HD12 LEU 6 -0.633 -0.040 5.718 49 HD13 LEU 6 HD13 LEU 6 -0.677 1.521 6.538 50 HD21 LEU 6 HD21 LEU 6 0.844 2.901 6.231 51 HD22 LEU 6 HD22 LEU 6 2.105 1.728 5.850 52 HD23 LEU 6 HD23 LEU 6 1.812 3.089 4.769 53 H GLY 7 H GLY 7 0.985 -0.164 0.845 54 HA2 GLY 7 HA2 GLY 7 -0.873 1.860 0.076 55 HA3 GLY 7 HA3 GLY 7 0.279 1.053 -0.978 56 H PHE 8 H PHE 8 -0.698 -1.615 -0.426 57 HA PHE 8 HA PHE 8 -2.514 -1.940 -2.481 58 HB2 PHE 8 HB2 PHE 8 -1.238 -3.807 -1.600 59 HB3 PHE 8 HB3 PHE 8 -2.077 -3.693 -0.057 60 HD1 PHE 8 HD1 PHE 8 -3.671 -5.287 0.319 61 HD2 PHE 8 HD2 PHE 8 -2.986 -3.968 -3.670 62 HE1 PHE 8 HE1 PHE 8 -5.375 -6.866 -0.492 63 HE2 PHE 8 HE2 PHE 8 -4.689 -5.544 -4.487 64 HZ PHE 8 HZ PHE 8 -5.885 -6.997 -2.898 65 H LEU 9 H LEU 9 -3.108 -1.348 0.931 66 HA LEU 9 HA LEU 9 -5.796 -1.939 1.129 67 HB2 LEU 9 HB2 LEU 9 -3.977 -0.021 2.473 68 HB3 LEU 9 HB3 LEU 9 -5.708 0.205 2.708 69 HG LEU 9 HG LEU 9 -4.758 -1.067 4.539 70 HD11 LEU 9 HD11 LEU 9 -6.994 -1.736 3.096 71 HD12 LEU 9 HD12 LEU 9 -6.151 -3.278 3.253 72 HD13 LEU 9 HD13 LEU 9 -6.573 -2.353 4.694 73 HD21 LEU 9 HD21 LEU 9 -4.055 -3.242 2.589 74 HD22 LEU 9 HD22 LEU 9 -2.890 -2.020 3.096 75 HD23 LEU 9 HD23 LEU 9 -3.609 -3.101 4.289 76 H LYS 10 H LYS 10 -4.374 1.217 0.272 77 HA LYS 10 HA LYS 10 -6.918 2.327 -0.448 78 HB2 LYS 10 HB2 LYS 10 -5.575 4.257 -1.241 79 HB3 LYS 10 HB3 LYS 10 -5.202 3.793 0.414 80 HG2 LYS 10 HG2 LYS 10 -3.194 2.652 -0.336 81 HG3 LYS 10 HG3 LYS 10 -3.577 3.052 -2.012 82 HD2 LYS 10 HD2 LYS 10 -3.644 5.509 -1.015 83 HD3 LYS 10 HD3 LYS 10 -2.562 4.786 0.178 84 HE2 LYS 10 HE2 LYS 10 -2.179 4.845 -2.812 85 HE3 LYS 10 HE3 LYS 10 -1.267 5.761 -1.614 86 HZ1 LYS 10 HZ1 LYS 10 -0.060 3.802 -2.377 87 HZ2 LYS 10 HZ2 LYS 10 -0.407 3.699 -0.725 88 HZ3 LYS 10 HZ3 LYS 10 -1.311 2.800 -1.836 89 H GLY 11 H GLY 11 -4.204 0.893 -2.169 90 HA2 GLY 11 HA2 GLY 11 -5.059 1.613 -4.780 91 HA3 GLY 11 HA3 GLY 11 -3.914 0.342 -4.382 92 H LEU 12 H LEU 12 -5.074 -0.637 -6.279 93 HA LEU 12 HA LEU 12 -7.505 -2.033 -5.368 94 HB2 LEU 12 HB2 LEU 12 -6.695 -0.966 -8.034 95 HB3 LEU 12 HB3 LEU 12 -7.745 -2.380 -7.957 96 HG LEU 12 HG LEU 12 -8.480 0.107 -6.466 97 HD11 LEU 12 HD11 LEU 12 -9.144 1.258 -8.276 98 HD12 LEU 12 HD12 LEU 12 -7.921 0.295 -9.106 99 HD13 LEU 12 HD13 LEU 12 -9.615 -0.195 -9.158 100 HD21 LEU 12 HD21 LEU 12 -10.325 -1.746 -7.908 101 HD22 LEU 12 HD22 LEU 12 -9.626 -2.234 -6.364 102 HD23 LEU 12 HD23 LEU 12 -10.610 -0.773 -6.464 103 HN1 NH2 13 HN1 NH2 13 -4.465 -2.336 -7.142 104 HN2 NH2 13 HN2 NH2 13 -4.304 -4.034 -7.056 Start of MODEL 5 1 H1 ILE 1 H ILE 1 7.398 5.653 3.004 2 HA ILE 1 HA ILE 1 7.218 7.430 0.661 3 HB ILE 1 HB ILE 1 9.562 6.613 0.166 4 HG12 ILE 1 HG12 ILE 1 9.373 5.680 3.039 5 HG13 ILE 1 HG13 ILE 1 9.525 4.638 1.628 6 HG21 ILE 1 HG21 ILE 1 10.493 8.369 1.322 7 HG22 ILE 1 HG22 ILE 1 8.781 8.791 1.384 8 HG23 ILE 1 HG23 ILE 1 9.556 8.046 2.782 9 HD11 ILE 1 HD11 ILE 1 11.558 6.522 2.771 10 HD12 ILE 1 HD12 ILE 1 11.667 4.772 2.580 11 HD13 ILE 1 HD13 ILE 1 11.707 5.820 1.160 12 H PHE 2 H PHE 2 7.467 4.090 1.737 13 HA PHE 2 HA PHE 2 6.236 3.191 -0.717 14 HB2 PHE 2 HB2 PHE 2 8.539 3.136 -1.423 15 HB3 PHE 2 HB3 PHE 2 9.021 2.311 0.055 16 HD1 PHE 2 HD1 PHE 2 7.100 1.932 -3.079 17 HD2 PHE 2 HD2 PHE 2 8.927 -0.031 0.227 18 HE1 PHE 2 HE1 PHE 2 6.776 -0.237 -4.193 19 HE2 PHE 2 HE2 PHE 2 8.607 -2.203 -0.883 20 HZ PHE 2 HZ PHE 2 7.531 -2.309 -3.095 21 H GLY 3 H GLY 3 4.716 1.802 -0.123 22 HA2 GLY 3 HA2 GLY 3 5.315 -0.235 1.880 23 HA3 GLY 3 HA3 GLY 3 4.007 0.877 2.260 24 H THR 4 H THR 4 4.762 -2.056 0.892 25 HA THR 4 HA THR 4 2.915 -2.227 -1.235 26 HB THR 4 HB THR 4 3.034 -4.745 -0.735 27 HG1 THR 4 HG1 THR 4 5.221 -3.990 0.904 28 HG21 THR 4 HG21 THR 4 4.626 -4.677 -2.291 29 HG22 THR 4 HG22 THR 4 4.842 -2.957 -1.964 30 HG23 THR 4 HG23 THR 4 5.810 -4.149 -1.096 31 H ILE 5 H ILE 5 2.662 -3.167 2.186 32 HA ILE 5 HA ILE 5 0.046 -4.174 2.073 33 HB ILE 5 HB ILE 5 1.352 -2.837 4.443 34 HG12 ILE 5 HG12 ILE 5 2.813 -4.576 3.555 35 HG13 ILE 5 HG13 ILE 5 2.088 -5.115 5.066 36 HG21 ILE 5 HG21 ILE 5 -0.176 -4.850 5.423 37 HG22 ILE 5 HG22 ILE 5 -0.703 -3.173 5.287 38 HG23 ILE 5 HG23 ILE 5 -1.137 -4.338 4.037 39 HD11 ILE 5 HD11 ILE 5 0.524 -6.497 3.872 40 HD12 ILE 5 HD12 ILE 5 1.113 -5.883 2.328 41 HD13 ILE 5 HD13 ILE 5 2.165 -6.867 3.345 42 H LEU 6 H LEU 6 1.264 -0.914 2.709 43 HA LEU 6 HA LEU 6 -1.221 0.251 3.360 44 HB2 LEU 6 HB2 LEU 6 1.454 1.248 2.545 45 HB3 LEU 6 HB3 LEU 6 0.093 2.362 2.427 46 HG LEU 6 HG LEU 6 1.389 2.582 4.528 47 HD11 LEU 6 HD11 LEU 6 -1.433 2.362 4.201 48 HD12 LEU 6 HD12 LEU 6 -0.996 1.788 5.809 49 HD13 LEU 6 HD13 LEU 6 -0.520 3.404 5.291 50 HD21 LEU 6 HD21 LEU 6 1.624 -0.061 4.560 51 HD22 LEU 6 HD22 LEU 6 1.673 0.903 6.036 52 HD23 LEU 6 HD23 LEU 6 0.185 0.079 5.569 53 H GLY 7 H GLY 7 0.659 0.483 0.328 54 HA2 GLY 7 HA2 GLY 7 -1.303 1.774 -1.180 55 HA3 GLY 7 HA3 GLY 7 -0.016 0.779 -1.844 56 H PHE 8 H PHE 8 -0.793 -1.671 -0.606 57 HA PHE 8 HA PHE 8 -2.695 -2.567 -2.509 58 HB2 PHE 8 HB2 PHE 8 -0.846 -3.950 -1.489 59 HB3 PHE 8 HB3 PHE 8 -1.811 -4.031 -0.018 60 HD1 PHE 8 HD1 PHE 8 -3.264 -5.792 0.268 61 HD2 PHE 8 HD2 PHE 8 -2.067 -4.713 -3.672 62 HE1 PHE 8 HE1 PHE 8 -4.467 -7.742 -0.628 63 HE2 PHE 8 HE2 PHE 8 -3.270 -6.661 -4.574 64 HZ PHE 8 HZ PHE 8 -4.473 -8.178 -3.053 65 H LEU 9 H LEU 9 -2.861 -2.257 1.036 66 HA LEU 9 HA LEU 9 -5.485 -3.054 1.401 67 HB2 LEU 9 HB2 LEU 9 -4.066 -2.733 3.283 68 HB3 LEU 9 HB3 LEU 9 -3.823 -1.033 2.885 69 HG LEU 9 HG LEU 9 -6.097 -0.518 3.518 70 HD11 LEU 9 HD11 LEU 9 -7.588 -2.151 3.168 71 HD12 LEU 9 HD12 LEU 9 -6.389 -3.427 3.382 72 HD13 LEU 9 HD13 LEU 9 -7.149 -2.685 4.791 73 HD21 LEU 9 HD21 LEU 9 -4.936 -2.263 5.677 74 HD22 LEU 9 HD22 LEU 9 -4.258 -0.693 5.242 75 HD23 LEU 9 HD23 LEU 9 -5.908 -0.802 5.857 76 H LYS 10 H LYS 10 -4.253 0.232 0.822 77 HA LYS 10 HA LYS 10 -6.800 1.469 0.802 78 HB2 LYS 10 HB2 LYS 10 -4.052 2.262 -0.070 79 HB3 LYS 10 HB3 LYS 10 -5.421 3.246 -0.570 80 HG2 LYS 10 HG2 LYS 10 -4.958 2.525 2.304 81 HG3 LYS 10 HG3 LYS 10 -4.189 3.924 1.551 82 HD2 LYS 10 HD2 LYS 10 -7.149 3.527 1.346 83 HD3 LYS 10 HD3 LYS 10 -6.441 4.233 2.800 84 HE2 LYS 10 HE2 LYS 10 -5.765 5.291 0.077 85 HE3 LYS 10 HE3 LYS 10 -7.233 5.804 0.911 86 HZ1 LYS 10 HZ1 LYS 10 -6.004 6.773 2.623 87 HZ2 LYS 10 HZ2 LYS 10 -4.580 5.959 2.209 88 HZ3 LYS 10 HZ3 LYS 10 -5.157 7.208 1.225 89 H GLY 11 H GLY 11 -4.777 0.054 -1.713 90 HA2 GLY 11 HA2 GLY 11 -5.914 -1.002 -3.592 91 HA3 GLY 11 HA3 GLY 11 -7.058 0.332 -3.566 92 H LEU 12 H LEU 12 -6.177 -0.042 -5.949 93 HA LEU 12 HA LEU 12 -4.102 2.006 -6.346 94 HB2 LEU 12 HB2 LEU 12 -3.281 0.750 -8.283 95 HB3 LEU 12 HB3 LEU 12 -3.092 -0.140 -6.773 96 HG LEU 12 HG LEU 12 -5.476 -0.679 -8.487 97 HD11 LEU 12 HD11 LEU 12 -3.173 -2.401 -9.012 98 HD12 LEU 12 HD12 LEU 12 -4.375 -1.736 -10.120 99 HD13 LEU 12 HD13 LEU 12 -2.995 -0.756 -9.623 100 HD21 LEU 12 HD21 LEU 12 -3.946 -1.995 -6.323 101 HD22 LEU 12 HD22 LEU 12 -5.682 -1.966 -6.635 102 HD23 LEU 12 HD23 LEU 12 -4.637 -3.041 -7.563 103 HN1 NH2 13 HN1 NH2 13 -4.130 2.778 -8.713 104 HN2 NH2 13 HN2 NH2 13 -5.649 3.112 -9.419 Start of MODEL 6 1 H1 ILE 1 H ILE 1 9.279 2.522 -3.324 2 HA ILE 1 HA ILE 1 8.690 4.294 -1.168 3 HB ILE 1 HB ILE 1 6.784 2.405 -2.547 4 HG12 ILE 1 HG12 ILE 1 7.515 5.247 -3.285 5 HG13 ILE 1 HG13 ILE 1 7.998 3.808 -4.177 6 HG21 ILE 1 HG21 ILE 1 5.073 3.974 -1.859 7 HG22 ILE 1 HG22 ILE 1 5.979 3.418 -0.453 8 HG23 ILE 1 HG23 ILE 1 6.291 5.018 -1.126 9 HD11 ILE 1 HD11 ILE 1 5.300 5.061 -3.936 10 HD12 ILE 1 HD12 ILE 1 6.196 4.599 -5.383 11 HD13 ILE 1 HD13 ILE 1 5.468 3.358 -4.363 12 H PHE 2 H PHE 2 8.124 3.876 0.900 13 HA PHE 2 HA PHE 2 8.444 1.120 1.823 14 HB2 PHE 2 HB2 PHE 2 8.510 3.787 3.228 15 HB3 PHE 2 HB3 PHE 2 8.441 2.267 4.115 16 HD1 PHE 2 HD1 PHE 2 10.470 4.309 1.818 17 HD2 PHE 2 HD2 PHE 2 10.354 0.888 4.348 18 HE1 PHE 2 HE1 PHE 2 12.916 4.108 1.654 19 HE2 PHE 2 HE2 PHE 2 12.801 0.682 4.189 20 HZ PHE 2 HZ PHE 2 14.085 2.294 2.841 21 H GLY 3 H GLY 3 6.804 -0.077 2.573 22 HA2 GLY 3 HA2 GLY 3 4.763 -0.332 3.812 23 HA3 GLY 3 HA3 GLY 3 4.288 1.275 3.286 24 H THR 4 H THR 4 5.452 -1.575 1.501 25 HA THR 4 HA THR 4 3.857 -1.221 -0.736 26 HB THR 4 HB THR 4 5.709 -2.781 -0.768 27 HG1 THR 4 HG1 THR 4 3.443 -4.430 -1.119 28 HG21 THR 4 HG21 THR 4 4.093 -4.681 0.918 29 HG22 THR 4 HG22 THR 4 5.790 -4.799 0.452 30 HG23 THR 4 HG23 THR 4 5.278 -3.577 1.617 31 H ILE 5 H ILE 5 3.141 -2.889 2.283 32 HA ILE 5 HA ILE 5 0.727 -4.100 1.464 33 HB ILE 5 HB ILE 5 1.520 -3.234 4.246 34 HG12 ILE 5 HG12 ILE 5 1.830 -5.957 2.976 35 HG13 ILE 5 HG13 ILE 5 3.128 -4.770 3.040 36 HG21 ILE 5 HG21 ILE 5 -0.029 -5.478 4.480 37 HG22 ILE 5 HG22 ILE 5 -0.586 -3.822 4.717 38 HG23 ILE 5 HG23 ILE 5 -0.811 -4.614 3.158 39 HD11 ILE 5 HD11 ILE 5 3.406 -4.999 5.302 40 HD12 ILE 5 HD12 ILE 5 1.756 -5.567 5.558 41 HD13 ILE 5 HD13 ILE 5 2.955 -6.640 4.838 42 H LEU 6 H LEU 6 1.358 -1.061 3.205 43 HA LEU 6 HA LEU 6 -1.320 -0.265 3.463 44 HB2 LEU 6 HB2 LEU 6 1.321 1.066 3.618 45 HB3 LEU 6 HB3 LEU 6 -0.087 2.102 3.402 46 HG LEU 6 HG LEU 6 0.242 0.127 5.658 47 HD11 LEU 6 HD11 LEU 6 1.926 1.860 5.839 48 HD12 LEU 6 HD12 LEU 6 0.699 3.107 5.607 49 HD13 LEU 6 HD13 LEU 6 0.671 2.101 7.055 50 HD21 LEU 6 HD21 LEU 6 -1.912 0.508 6.027 51 HD22 LEU 6 HD22 LEU 6 -1.546 2.218 6.264 52 HD23 LEU 6 HD23 LEU 6 -1.983 1.624 4.662 53 H GLY 7 H GLY 7 1.095 0.480 0.966 54 HA2 GLY 7 HA2 GLY 7 -0.599 2.171 -0.558 55 HA3 GLY 7 HA3 GLY 7 0.876 1.404 -1.127 56 H PHE 8 H PHE 8 0.089 -1.292 -0.701 57 HA PHE 8 HA PHE 8 -1.192 -1.841 -3.129 58 HB2 PHE 8 HB2 PHE 8 0.284 -3.446 -1.991 59 HB3 PHE 8 HB3 PHE 8 -0.906 -3.630 -0.706 60 HD1 PHE 8 HD1 PHE 8 -2.654 -5.169 -0.900 61 HD2 PHE 8 HD2 PHE 8 -0.350 -4.149 -4.330 62 HE1 PHE 8 HE1 PHE 8 -3.735 -6.983 -2.161 63 HE2 PHE 8 HE2 PHE 8 -1.428 -5.961 -5.597 64 HZ PHE 8 HZ PHE 8 -3.124 -7.381 -4.513 65 H LEU 9 H LEU 9 -2.442 -1.992 0.198 66 HA LEU 9 HA LEU 9 -5.071 -2.738 -0.546 67 HB2 LEU 9 HB2 LEU 9 -3.842 -2.841 1.751 68 HB3 LEU 9 HB3 LEU 9 -4.475 -1.210 1.953 69 HG LEU 9 HG LEU 9 -6.768 -2.132 1.625 70 HD11 LEU 9 HD11 LEU 9 -5.234 -4.712 1.572 71 HD12 LEU 9 HD12 LEU 9 -6.933 -4.639 2.038 72 HD13 LEU 9 HD13 LEU 9 -6.438 -4.120 0.427 73 HD21 LEU 9 HD21 LEU 9 -5.964 -3.730 3.884 74 HD22 LEU 9 HD22 LEU 9 -5.121 -2.180 3.878 75 HD23 LEU 9 HD23 LEU 9 -6.884 -2.226 3.842 76 H LYS 10 H LYS 10 -3.570 0.383 0.204 77 HA LYS 10 HA LYS 10 -5.869 1.970 0.081 78 HB2 LYS 10 HB2 LYS 10 -3.773 2.826 0.961 79 HB3 LYS 10 HB3 LYS 10 -3.005 2.653 -0.612 80 HG2 LYS 10 HG2 LYS 10 -3.517 4.951 -0.300 81 HG3 LYS 10 HG3 LYS 10 -4.638 4.316 -1.507 82 HD2 LYS 10 HD2 LYS 10 -5.933 5.657 -0.050 83 HD3 LYS 10 HD3 LYS 10 -6.282 3.983 0.389 84 HE2 LYS 10 HE2 LYS 10 -5.974 5.304 2.389 85 HE3 LYS 10 HE3 LYS 10 -4.647 4.155 2.226 86 HZ1 LYS 10 HZ1 LYS 10 -3.175 5.831 1.613 87 HZ2 LYS 10 HZ2 LYS 10 -4.406 6.929 1.239 88 HZ3 LYS 10 HZ3 LYS 10 -4.080 6.541 2.853 89 H GLY 11 H GLY 11 -3.716 0.818 -2.465 90 HA2 GLY 11 HA2 GLY 11 -5.103 2.337 -4.508 91 HA3 GLY 11 HA3 GLY 11 -3.770 1.220 -4.760 92 H LEU 12 H LEU 12 -6.245 1.446 -6.263 93 HA LEU 12 HA LEU 12 -7.373 -1.224 -5.732 94 HB2 LEU 12 HB2 LEU 12 -8.783 0.999 -7.183 95 HB3 LEU 12 HB3 LEU 12 -9.468 -0.507 -6.574 96 HG LEU 12 HG LEU 12 -8.717 0.504 -4.249 97 HD11 LEU 12 HD11 LEU 12 -8.058 2.600 -5.956 98 HD12 LEU 12 HD12 LEU 12 -9.570 3.094 -5.192 99 HD13 LEU 12 HD13 LEU 12 -8.181 2.658 -4.197 100 HD21 LEU 12 HD21 LEU 12 -11.150 0.696 -5.870 101 HD22 LEU 12 HD22 LEU 12 -10.929 0.140 -4.211 102 HD23 LEU 12 HD23 LEU 12 -11.055 1.866 -4.554 103 HN1 NH2 13 HN1 NH2 13 -5.515 -1.946 -7.056 104 HN2 NH2 13 HN2 NH2 13 -5.633 -1.965 -8.759 Start of MODEL 7 1 H1 ILE 1 H ILE 1 9.880 0.232 0.258 2 HA ILE 1 HA ILE 1 9.485 -2.008 2.133 3 HB ILE 1 HB ILE 1 10.551 0.730 2.824 4 HG12 ILE 1 HG12 ILE 1 12.061 -1.865 2.445 5 HG13 ILE 1 HG13 ILE 1 12.115 -0.484 1.355 6 HG21 ILE 1 HG21 ILE 1 11.140 -0.281 4.949 7 HG22 ILE 1 HG22 ILE 1 9.414 -0.470 4.643 8 HG23 ILE 1 HG23 ILE 1 10.506 -1.835 4.408 9 HD11 ILE 1 HD11 ILE 1 13.113 0.870 3.112 10 HD12 ILE 1 HD12 ILE 1 13.041 -0.503 4.217 11 HD13 ILE 1 HD13 ILE 1 14.074 -0.573 2.788 12 H PHE 2 H PHE 2 8.710 1.450 1.720 13 HA PHE 2 HA PHE 2 6.129 0.930 3.043 14 HB2 PHE 2 HB2 PHE 2 6.124 3.391 3.532 15 HB3 PHE 2 HB3 PHE 2 7.408 2.495 4.337 16 HD1 PHE 2 HD1 PHE 2 6.604 5.054 1.896 17 HD2 PHE 2 HD2 PHE 2 9.731 2.703 3.573 18 HE1 PHE 2 HE1 PHE 2 8.268 6.592 0.939 19 HE2 PHE 2 HE2 PHE 2 11.401 4.240 2.619 20 HZ PHE 2 HZ PHE 2 10.670 6.187 1.301 21 H GLY 3 H GLY 3 4.304 2.275 2.286 22 HA2 GLY 3 HA2 GLY 3 3.209 3.539 0.605 23 HA3 GLY 3 HA3 GLY 3 4.552 3.211 -0.480 24 H THR 4 H THR 4 4.758 0.491 -0.375 25 HA THR 4 HA THR 4 2.863 -0.374 -2.201 26 HB THR 4 HB THR 4 3.576 -2.743 -1.322 27 HG1 THR 4 HG1 THR 4 5.231 -2.756 0.069 28 HG21 THR 4 HG21 THR 4 4.687 -0.873 -3.130 29 HG22 THR 4 HG22 THR 4 6.033 -1.642 -2.287 30 HG23 THR 4 HG23 THR 4 4.849 -2.630 -3.146 31 H ILE 5 H ILE 5 3.031 -1.181 1.270 32 HA ILE 5 HA ILE 5 0.704 -2.681 1.438 33 HB ILE 5 HB ILE 5 1.784 -0.838 3.573 34 HG12 ILE 5 HG12 ILE 5 3.526 -2.343 2.757 35 HG13 ILE 5 HG13 ILE 5 3.013 -2.824 4.371 36 HG21 ILE 5 HG21 ILE 5 0.660 -3.241 4.590 37 HG22 ILE 5 HG22 ILE 5 0.133 -1.579 4.854 38 HG23 ILE 5 HG23 ILE 5 -0.507 -2.502 3.495 39 HD11 ILE 5 HD11 ILE 5 2.675 -4.866 3.607 40 HD12 ILE 5 HD12 ILE 5 1.402 -4.243 2.558 41 HD13 ILE 5 HD13 ILE 5 3.060 -4.349 1.966 42 H LEU 6 H LEU 6 1.061 0.777 2.251 43 HA LEU 6 HA LEU 6 -1.592 1.358 2.736 44 HB2 LEU 6 HB2 LEU 6 0.754 2.925 1.824 45 HB3 LEU 6 HB3 LEU 6 -0.834 3.675 1.663 46 HG LEU 6 HG LEU 6 0.143 2.563 4.280 47 HD11 LEU 6 HD11 LEU 6 1.598 4.217 4.502 48 HD12 LEU 6 HD12 LEU 6 1.227 4.782 2.874 49 HD13 LEU 6 HD13 LEU 6 0.306 5.389 4.249 50 HD21 LEU 6 HD21 LEU 6 -2.185 2.938 4.297 51 HD22 LEU 6 HD22 LEU 6 -1.471 4.339 5.098 52 HD23 LEU 6 HD23 LEU 6 -2.025 4.465 3.429 53 H GLY 7 H GLY 7 0.141 1.590 -0.368 54 HA2 GLY 7 HA2 GLY 7 -2.038 2.456 -1.908 55 HA3 GLY 7 HA3 GLY 7 -0.626 1.613 -2.530 56 H PHE 8 H PHE 8 -1.053 -0.769 -0.924 57 HA PHE 8 HA PHE 8 -2.769 -2.166 -2.707 58 HB2 PHE 8 HB2 PHE 8 -1.116 -2.864 -0.336 59 HB3 PHE 8 HB3 PHE 8 -2.412 -3.974 -0.765 60 HD1 PHE 8 HD1 PHE 8 -1.394 -5.830 -1.688 61 HD2 PHE 8 HD2 PHE 8 -0.158 -1.951 -2.926 62 HE1 PHE 8 HE1 PHE 8 0.044 -6.841 -3.408 63 HE2 PHE 8 HE2 PHE 8 1.281 -2.956 -4.650 64 HZ PHE 8 HZ PHE 8 1.384 -5.404 -4.892 65 H LEU 9 H LEU 9 -3.062 -1.159 0.676 66 HA LEU 9 HA LEU 9 -5.586 -2.354 1.127 67 HB2 LEU 9 HB2 LEU 9 -3.886 -0.354 2.500 68 HB3 LEU 9 HB3 LEU 9 -5.598 -0.376 2.920 69 HG LEU 9 HG LEU 9 -4.314 -1.689 4.502 70 HD11 LEU 9 HD11 LEU 9 -6.029 -3.080 4.681 71 HD12 LEU 9 HD12 LEU 9 -6.557 -2.565 3.079 72 HD13 LEU 9 HD13 LEU 9 -5.514 -3.978 3.252 73 HD21 LEU 9 HD21 LEU 9 -2.465 -2.255 2.936 74 HD22 LEU 9 HD22 LEU 9 -3.058 -3.631 3.867 75 HD23 LEU 9 HD23 LEU 9 -3.528 -3.440 2.178 76 H LYS 10 H LYS 10 -4.668 1.012 0.411 77 HA LYS 10 HA LYS 10 -7.314 1.987 0.253 78 HB2 LYS 10 HB2 LYS 10 -6.345 3.972 -0.739 79 HB3 LYS 10 HB3 LYS 10 -5.325 3.424 0.585 80 HG2 LYS 10 HG2 LYS 10 -3.683 3.765 -0.909 81 HG3 LYS 10 HG3 LYS 10 -4.138 2.151 -1.460 82 HD2 LYS 10 HD2 LYS 10 -5.136 2.931 -3.354 83 HD3 LYS 10 HD3 LYS 10 -5.625 4.451 -2.601 84 HE2 LYS 10 HE2 LYS 10 -2.746 3.828 -3.183 85 HE3 LYS 10 HE3 LYS 10 -3.804 4.534 -4.404 86 HZ1 LYS 10 HZ1 LYS 10 -4.112 5.985 -2.032 87 HZ2 LYS 10 HZ2 LYS 10 -2.452 5.831 -2.326 88 HZ3 LYS 10 HZ3 LYS 10 -3.461 6.510 -3.502 89 H GLY 11 H GLY 11 -5.132 0.580 -2.121 90 HA2 GLY 11 HA2 GLY 11 -6.800 1.205 -4.373 91 HA3 GLY 11 HA3 GLY 11 -5.415 0.124 -4.369 92 H LEU 12 H LEU 12 -8.493 0.132 -5.145 93 HA LEU 12 HA LEU 12 -10.152 -1.413 -5.341 94 HB2 LEU 12 HB2 LEU 12 -7.731 -3.163 -5.035 95 HB3 LEU 12 HB3 LEU 12 -9.338 -3.832 -5.304 96 HG LEU 12 HG LEU 12 -8.020 -1.888 -7.191 97 HD11 LEU 12 HD11 LEU 12 -6.592 -3.761 -7.218 98 HD12 LEU 12 HD12 LEU 12 -7.943 -4.891 -7.121 99 HD13 LEU 12 HD13 LEU 12 -7.673 -3.965 -8.597 100 HD21 LEU 12 HD21 LEU 12 -10.326 -3.798 -7.562 101 HD22 LEU 12 HD22 LEU 12 -10.478 -2.063 -7.284 102 HD23 LEU 12 HD23 LEU 12 -9.700 -2.656 -8.751 103 HN1 NH2 13 HN1 NH2 13 -10.135 -0.289 -2.879 104 HN2 NH2 13 HN2 NH2 13 -10.547 -1.401 -1.651 Start of MODEL 8 1 H1 ILE 1 H ILE 1 3.782 6.352 -2.162 2 HA ILE 1 HA ILE 1 3.816 4.107 -2.551 3 HB ILE 1 HB ILE 1 6.379 4.672 -4.041 4 HG12 ILE 1 HG12 ILE 1 4.279 4.611 -5.869 5 HG13 ILE 1 HG13 ILE 1 3.658 5.576 -4.536 6 HG21 ILE 1 HG21 ILE 1 6.138 2.656 -5.052 7 HG22 ILE 1 HG22 ILE 1 5.316 2.278 -3.538 8 HG23 ILE 1 HG23 ILE 1 4.377 2.701 -4.970 9 HD11 ILE 1 HD11 ILE 1 4.970 6.671 -6.520 10 HD12 ILE 1 HD12 ILE 1 5.168 7.251 -4.866 11 HD13 ILE 1 HD13 ILE 1 6.374 6.177 -5.574 12 H PHE 2 H PHE 2 4.344 3.991 -0.175 13 HA PHE 2 HA PHE 2 6.877 2.534 0.172 14 HB2 PHE 2 HB2 PHE 2 6.845 4.877 1.195 15 HB3 PHE 2 HB3 PHE 2 5.660 4.246 2.334 16 HD1 PHE 2 HD1 PHE 2 9.126 3.842 1.113 17 HD2 PHE 2 HD2 PHE 2 6.323 2.983 4.198 18 HE1 PHE 2 HE1 PHE 2 10.950 2.994 2.530 19 HE2 PHE 2 HE2 PHE 2 8.142 2.136 5.621 20 HZ PHE 2 HZ PHE 2 10.460 2.140 4.788 21 H GLY 3 H GLY 3 6.594 0.523 0.870 22 HA2 GLY 3 HA2 GLY 3 5.751 -1.192 2.215 23 HA3 GLY 3 HA3 GLY 3 4.486 -0.103 2.768 24 H THR 4 H THR 4 5.245 -2.696 0.743 25 HA THR 4 HA THR 4 3.413 -2.428 -1.346 26 HB THR 4 HB THR 4 4.273 -4.989 0.015 27 HG1 THR 4 HG1 THR 4 6.108 -4.051 -0.737 28 HG21 THR 4 HG21 THR 4 2.395 -4.522 -2.057 29 HG22 THR 4 HG22 THR 4 3.825 -5.248 -2.790 30 HG23 THR 4 HG23 THR 4 3.003 -6.067 -1.462 31 H ILE 5 H ILE 5 3.006 -4.046 1.801 32 HA ILE 5 HA ILE 5 0.306 -4.759 1.409 33 HB ILE 5 HB ILE 5 1.712 -4.266 4.036 34 HG12 ILE 5 HG12 ILE 5 1.386 -6.874 2.540 35 HG13 ILE 5 HG13 ILE 5 2.851 -5.899 2.497 36 HG21 ILE 5 HG21 ILE 5 -0.399 -4.530 4.778 37 HG22 ILE 5 HG22 ILE 5 -0.939 -5.305 3.288 38 HG23 ILE 5 HG23 ILE 5 -0.068 -6.240 4.504 39 HD11 ILE 5 HD11 ILE 5 2.508 -7.922 4.184 40 HD12 ILE 5 HD12 ILE 5 3.474 -6.501 4.582 41 HD13 ILE 5 HD13 ILE 5 1.814 -6.630 5.164 42 H LEU 6 H LEU 6 1.840 -1.884 2.731 43 HA LEU 6 HA LEU 6 -0.447 -0.684 3.839 44 HB2 LEU 6 HB2 LEU 6 2.273 0.110 3.150 45 HB3 LEU 6 HB3 LEU 6 1.107 1.422 2.992 46 HG LEU 6 HG LEU 6 0.424 0.587 5.425 47 HD11 LEU 6 HD11 LEU 6 2.896 -0.788 4.873 48 HD12 LEU 6 HD12 LEU 6 3.071 0.304 6.246 49 HD13 LEU 6 HD13 LEU 6 1.813 -0.931 6.256 50 HD21 LEU 6 HD21 LEU 6 2.860 2.188 5.567 51 HD22 LEU 6 HD22 LEU 6 1.713 2.759 4.355 52 HD23 LEU 6 HD23 LEU 6 1.209 2.589 6.037 53 H GLY 7 H GLY 7 1.135 -0.048 0.700 54 HA2 GLY 7 HA2 GLY 7 -0.855 1.686 -0.275 55 HA3 GLY 7 HA3 GLY 7 0.307 0.811 -1.261 56 H PHE 8 H PHE 8 -0.445 -1.814 -0.640 57 HA PHE 8 HA PHE 8 -2.416 -2.323 -2.508 58 HB2 PHE 8 HB2 PHE 8 -0.923 -4.075 -1.785 59 HB3 PHE 8 HB3 PHE 8 -1.545 -3.988 -0.141 60 HD1 PHE 8 HD1 PHE 8 -2.664 -5.923 0.375 61 HD2 PHE 8 HD2 PHE 8 -3.195 -4.198 -3.481 62 HE1 PHE 8 HE1 PHE 8 -4.327 -7.653 -0.167 63 HE2 PHE 8 HE2 PHE 8 -4.860 -5.925 -4.027 64 HZ PHE 8 HZ PHE 8 -5.427 -7.656 -2.370 65 H LEU 9 H LEU 9 -2.735 -2.029 1.010 66 HA LEU 9 HA LEU 9 -5.468 -2.660 1.171 67 HB2 LEU 9 HB2 LEU 9 -3.812 -2.517 3.062 68 HB3 LEU 9 HB3 LEU 9 -3.981 -0.765 2.976 69 HG LEU 9 HG LEU 9 -6.477 -1.168 3.386 70 HD11 LEU 9 HD11 LEU 9 -6.900 -3.398 3.116 71 HD12 LEU 9 HD12 LEU 9 -5.350 -3.890 3.800 72 HD13 LEU 9 HD13 LEU 9 -6.648 -3.340 4.860 73 HD21 LEU 9 HD21 LEU 9 -5.701 -0.238 5.263 74 HD22 LEU 9 HD22 LEU 9 -5.673 -1.877 5.913 75 HD23 LEU 9 HD23 LEU 9 -4.210 -1.178 5.218 76 H LYS 10 H LYS 10 -3.868 0.526 1.125 77 HA LYS 10 HA LYS 10 -6.138 2.115 1.130 78 HB2 LYS 10 HB2 LYS 10 -3.353 2.473 0.115 79 HB3 LYS 10 HB3 LYS 10 -4.560 3.677 -0.313 80 HG2 LYS 10 HG2 LYS 10 -4.952 4.218 1.965 81 HG3 LYS 10 HG3 LYS 10 -3.998 2.839 2.519 82 HD2 LYS 10 HD2 LYS 10 -2.078 3.987 1.176 83 HD3 LYS 10 HD3 LYS 10 -3.084 5.429 1.333 84 HE2 LYS 10 HE2 LYS 10 -2.491 3.774 3.747 85 HE3 LYS 10 HE3 LYS 10 -1.264 4.878 3.129 86 HZ1 LYS 10 HZ1 LYS 10 -3.338 5.518 4.798 87 HZ2 LYS 10 HZ2 LYS 10 -2.342 6.608 3.972 88 HZ3 LYS 10 HZ3 LYS 10 -3.818 6.131 3.295 89 H GLY 11 H GLY 11 -4.560 0.462 -1.549 90 HA2 GLY 11 HA2 GLY 11 -6.353 -0.232 -3.238 91 HA3 GLY 11 HA3 GLY 11 -6.641 1.497 -3.364 92 H LEU 12 H LEU 12 -5.986 -0.046 -5.574 93 HA LEU 12 HA LEU 12 -4.548 -0.197 -7.335 94 HB2 LEU 12 HB2 LEU 12 -3.849 2.458 -6.131 95 HB3 LEU 12 HB3 LEU 12 -3.029 1.864 -7.574 96 HG LEU 12 HG LEU 12 -6.018 2.069 -7.497 97 HD11 LEU 12 HD11 LEU 12 -4.882 4.249 -6.801 98 HD12 LEU 12 HD12 LEU 12 -4.262 4.305 -8.451 99 HD13 LEU 12 HD13 LEU 12 -6.002 4.308 -8.162 100 HD21 LEU 12 HD21 LEU 12 -4.957 2.771 -9.980 101 HD22 LEU 12 HD22 LEU 12 -3.984 1.408 -9.427 102 HD23 LEU 12 HD23 LEU 12 -5.737 1.251 -9.543 103 HN1 NH2 13 HN1 NH2 13 -3.730 -1.790 -5.302 104 HN2 NH2 13 HN2 NH2 13 -2.030 -1.837 -5.156 Start of MODEL 9 1 H1 ILE 1 H ILE 1 8.613 4.181 -3.378 2 HA ILE 1 HA ILE 1 6.075 3.829 -2.137 3 HB ILE 1 HB ILE 1 8.201 1.771 -2.744 4 HG12 ILE 1 HG12 ILE 1 5.722 2.465 -4.328 5 HG13 ILE 1 HG13 ILE 1 7.323 3.096 -4.699 6 HG21 ILE 1 HG21 ILE 1 6.208 0.214 -2.722 7 HG22 ILE 1 HG22 ILE 1 6.734 0.826 -1.153 8 HG23 ILE 1 HG23 ILE 1 5.316 1.519 -1.940 9 HD11 ILE 1 HD11 ILE 1 6.146 0.649 -5.502 10 HD12 ILE 1 HD12 ILE 1 7.734 1.301 -5.911 11 HD13 ILE 1 HD13 ILE 1 7.538 0.286 -4.481 12 H PHE 2 H PHE 2 5.543 3.162 -0.105 13 HA PHE 2 HA PHE 2 7.718 3.190 1.871 14 HB2 PHE 2 HB2 PHE 2 4.761 3.740 2.184 15 HB3 PHE 2 HB3 PHE 2 5.903 3.679 3.522 16 HD1 PHE 2 HD1 PHE 2 4.216 5.811 1.386 17 HD2 PHE 2 HD2 PHE 2 8.070 5.213 3.093 18 HE1 PHE 2 HE1 PHE 2 4.733 8.191 1.043 19 HE2 PHE 2 HE2 PHE 2 8.593 7.592 2.753 20 HZ PHE 2 HZ PHE 2 6.924 9.086 1.728 21 H GLY 3 H GLY 3 4.856 1.414 0.822 22 HA2 GLY 3 HA2 GLY 3 5.885 -1.092 1.557 23 HA3 GLY 3 HA3 GLY 3 4.831 -0.533 2.848 24 H THR 4 H THR 4 4.878 -2.482 0.279 25 HA THR 4 HA THR 4 2.595 -1.858 -1.214 26 HB THR 4 HB THR 4 3.703 -4.604 -0.593 27 HG1 THR 4 HG1 THR 4 5.301 -3.530 -1.634 28 HG21 THR 4 HG21 THR 4 1.413 -3.729 -2.117 29 HG22 THR 4 HG22 THR 4 2.586 -4.540 -3.155 30 HG23 THR 4 HG23 THR 4 1.945 -5.367 -1.736 31 H ILE 5 H ILE 5 2.976 -3.709 1.773 32 HA ILE 5 HA ILE 5 0.452 -4.800 2.023 33 HB ILE 5 HB ILE 5 2.133 -3.656 4.258 34 HG12 ILE 5 HG12 ILE 5 3.386 -5.270 2.921 35 HG13 ILE 5 HG13 ILE 5 2.984 -5.961 4.490 36 HG21 ILE 5 HG21 ILE 5 0.167 -4.070 5.334 37 HG22 ILE 5 HG22 ILE 5 -0.330 -5.313 4.185 38 HG23 ILE 5 HG23 ILE 5 0.880 -5.681 5.415 39 HD11 ILE 5 HD11 ILE 5 2.227 -6.816 1.813 40 HD12 ILE 5 HD12 ILE 5 2.298 -7.726 3.323 41 HD13 ILE 5 HD13 ILE 5 0.876 -6.755 2.945 42 H LEU 6 H LEU 6 1.524 -1.517 2.707 43 HA LEU 6 HA LEU 6 -1.028 -0.734 3.809 44 HB2 LEU 6 HB2 LEU 6 1.345 0.941 2.998 45 HB3 LEU 6 HB3 LEU 6 -0.051 1.506 3.914 46 HG LEU 6 HG LEU 6 0.683 -0.350 5.609 47 HD11 LEU 6 HD11 LEU 6 2.998 -0.108 3.779 48 HD12 LEU 6 HD12 LEU 6 3.337 -0.183 5.508 49 HD13 LEU 6 HD13 LEU 6 2.437 -1.485 4.728 50 HD21 LEU 6 HD21 LEU 6 0.639 1.918 6.265 51 HD22 LEU 6 HD22 LEU 6 2.260 1.336 6.646 52 HD23 LEU 6 HD23 LEU 6 1.994 2.329 5.213 53 H GLY 7 H GLY 7 0.840 0.086 0.883 54 HA2 GLY 7 HA2 GLY 7 -0.989 1.755 -0.348 55 HA3 GLY 7 HA3 GLY 7 0.141 0.721 -1.211 56 H PHE 8 H PHE 8 -0.972 -1.759 -0.212 57 HA PHE 8 HA PHE 8 -2.803 -2.327 -2.221 58 HB2 PHE 8 HB2 PHE 8 -1.466 -3.994 -0.891 59 HB3 PHE 8 HB3 PHE 8 -2.616 -3.778 0.424 60 HD1 PHE 8 HD1 PHE 8 -4.824 -4.708 0.311 61 HD2 PHE 8 HD2 PHE 8 -2.123 -5.105 -2.955 62 HE1 PHE 8 HE1 PHE 8 -6.282 -6.425 -0.681 63 HE2 PHE 8 HE2 PHE 8 -3.577 -6.821 -3.953 64 HZ PHE 8 HZ PHE 8 -5.659 -7.483 -2.817 65 H LEU 9 H LEU 9 -3.471 -1.845 1.248 66 HA LEU 9 HA LEU 9 -6.279 -1.942 0.987 67 HB2 LEU 9 HB2 LEU 9 -4.820 -2.185 3.085 68 HB3 LEU 9 HB3 LEU 9 -4.839 -0.424 3.136 69 HG LEU 9 HG LEU 9 -7.451 -0.790 3.049 70 HD11 LEU 9 HD11 LEU 9 -6.860 -3.168 4.701 71 HD12 LEU 9 HD12 LEU 9 -8.268 -2.793 3.708 72 HD13 LEU 9 HD13 LEU 9 -6.786 -3.379 2.952 73 HD21 LEU 9 HD21 LEU 9 -5.487 -0.622 5.207 74 HD22 LEU 9 HD22 LEU 9 -6.960 0.308 4.937 75 HD23 LEU 9 HD23 LEU 9 -7.045 -1.275 5.709 76 H LYS 10 H LYS 10 -3.953 0.691 0.848 77 HA LYS 10 HA LYS 10 -5.773 2.834 0.942 78 HB2 LYS 10 HB2 LYS 10 -2.983 2.501 -0.101 79 HB3 LYS 10 HB3 LYS 10 -3.860 3.992 -0.419 80 HG2 LYS 10 HG2 LYS 10 -3.700 2.963 2.374 81 HG3 LYS 10 HG3 LYS 10 -2.305 3.782 1.664 82 HD2 LYS 10 HD2 LYS 10 -5.028 5.019 1.513 83 HD3 LYS 10 HD3 LYS 10 -4.061 5.167 2.982 84 HE2 LYS 10 HE2 LYS 10 -2.856 5.827 0.327 85 HE3 LYS 10 HE3 LYS 10 -3.911 6.993 1.125 86 HZ1 LYS 10 HZ1 LYS 10 -1.215 6.205 1.776 87 HZ2 LYS 10 HZ2 LYS 10 -2.043 7.635 2.141 88 HZ3 LYS 10 HZ3 LYS 10 -2.249 6.266 3.113 89 H GLY 11 H GLY 11 -4.638 0.814 -1.705 90 HA2 GLY 11 HA2 GLY 11 -6.167 0.413 -3.551 91 HA3 GLY 11 HA3 GLY 11 -6.664 2.095 -3.426 92 H LEU 12 H LEU 12 -4.950 0.011 -5.262 93 HA LEU 12 HA LEU 12 -2.555 1.263 -5.881 94 HB2 LEU 12 HB2 LEU 12 -4.390 -0.145 -7.814 95 HB3 LEU 12 HB3 LEU 12 -2.658 0.120 -8.015 96 HG LEU 12 HG LEU 12 -3.604 -1.443 -5.659 97 HD11 LEU 12 HD11 LEU 12 -3.093 -3.372 -7.533 98 HD12 LEU 12 HD12 LEU 12 -4.691 -2.888 -6.967 99 HD13 LEU 12 HD13 LEU 12 -4.031 -2.190 -8.445 100 HD21 LEU 12 HD21 LEU 12 -1.270 -2.065 -7.411 101 HD22 LEU 12 HD22 LEU 12 -1.181 -0.702 -6.296 102 HD23 LEU 12 HD23 LEU 12 -1.480 -2.327 -5.679 103 HN1 NH2 13 HN1 NH2 13 -2.018 2.464 -7.893 104 HN2 NH2 13 HN2 NH2 13 -3.036 3.726 -8.428 Start of MODEL 10 1 H1 ILE 1 H ILE 1 11.195 4.519 1.225 2 HA ILE 1 HA ILE 1 9.866 2.903 -0.793 3 HB ILE 1 HB ILE 1 9.350 1.368 1.058 4 HG12 ILE 1 HG12 ILE 1 10.968 3.203 2.825 5 HG13 ILE 1 HG13 ILE 1 9.210 3.242 2.775 6 HG21 ILE 1 HG21 ILE 1 11.451 0.457 1.141 7 HG22 ILE 1 HG22 ILE 1 11.648 1.586 -0.199 8 HG23 ILE 1 HG23 ILE 1 12.234 2.014 1.409 9 HD11 ILE 1 HD11 ILE 1 9.209 1.680 4.336 10 HD12 ILE 1 HD12 ILE 1 9.881 0.561 3.149 11 HD13 ILE 1 HD13 ILE 1 10.957 1.477 4.205 12 H PHE 2 H PHE 2 7.632 2.015 -0.076 13 HA PHE 2 HA PHE 2 5.978 4.268 0.854 14 HB2 PHE 2 HB2 PHE 2 5.702 2.514 -1.536 15 HB3 PHE 2 HB3 PHE 2 4.225 2.996 -0.707 16 HD1 PHE 2 HD1 PHE 2 6.837 3.993 -2.954 17 HD2 PHE 2 HD2 PHE 2 3.739 5.443 -0.420 18 HE1 PHE 2 HE1 PHE 2 6.886 6.151 -4.135 19 HE2 PHE 2 HE2 PHE 2 3.783 7.603 -1.597 20 HZ PHE 2 HZ PHE 2 5.356 7.959 -3.458 21 H GLY 3 H GLY 3 6.061 0.735 0.428 22 HA2 GLY 3 HA2 GLY 3 5.707 -0.666 2.390 23 HA3 GLY 3 HA3 GLY 3 4.525 0.513 2.939 24 H THR 4 H THR 4 5.097 -2.268 0.998 25 HA THR 4 HA THR 4 2.870 -2.292 -0.666 26 HB THR 4 HB THR 4 3.045 -4.850 -0.423 27 HG1 THR 4 HG1 THR 4 5.080 -5.473 0.555 28 HG21 THR 4 HG21 THR 4 5.708 -3.786 -1.181 29 HG22 THR 4 HG22 THR 4 4.625 -4.863 -2.064 30 HG23 THR 4 HG23 THR 4 4.308 -3.129 -2.030 31 H ILE 5 H ILE 5 3.191 -3.315 2.703 32 HA ILE 5 HA ILE 5 0.720 -4.536 3.052 33 HB ILE 5 HB ILE 5 2.231 -2.872 5.070 34 HG12 ILE 5 HG12 ILE 5 2.291 -5.863 4.636 35 HG13 ILE 5 HG13 ILE 5 3.511 -4.757 4.014 36 HG21 ILE 5 HG21 ILE 5 0.008 -3.200 5.856 37 HG22 ILE 5 HG22 ILE 5 0.028 -4.899 5.381 38 HG23 ILE 5 HG23 ILE 5 1.041 -4.343 6.714 39 HD11 ILE 5 HD11 ILE 5 3.957 -4.053 6.359 40 HD12 ILE 5 HD12 ILE 5 2.867 -5.333 6.891 41 HD13 ILE 5 HD13 ILE 5 4.342 -5.739 6.013 42 H LEU 6 H LEU 6 1.586 -1.122 3.111 43 HA LEU 6 HA LEU 6 -1.036 -0.275 3.946 44 HB2 LEU 6 HB2 LEU 6 1.523 1.037 3.228 45 HB3 LEU 6 HB3 LEU 6 0.051 1.988 3.042 46 HG LEU 6 HG LEU 6 1.244 2.335 5.201 47 HD11 LEU 6 HD11 LEU 6 -1.202 1.269 6.255 48 HD12 LEU 6 HD12 LEU 6 -0.732 2.949 5.995 49 HD13 LEU 6 HD13 LEU 6 -1.494 2.034 4.694 50 HD21 LEU 6 HD21 LEU 6 1.646 -0.308 5.254 51 HD22 LEU 6 HD22 LEU 6 1.622 0.688 6.709 52 HD23 LEU 6 HD23 LEU 6 0.187 -0.223 6.241 53 H GLY 7 H GLY 7 0.859 0.083 0.941 54 HA2 GLY 7 HA2 GLY 7 -1.073 1.274 -0.637 55 HA3 GLY 7 HA3 GLY 7 0.181 0.208 -1.251 56 H PHE 8 H PHE 8 -0.743 -2.111 0.237 57 HA PHE 8 HA PHE 8 -2.377 -3.308 -1.639 58 HB2 PHE 8 HB2 PHE 8 -1.038 -4.446 0.178 59 HB3 PHE 8 HB3 PHE 8 -2.345 -4.048 1.288 60 HD1 PHE 8 HD1 PHE 8 -4.213 -5.427 1.468 61 HD2 PHE 8 HD2 PHE 8 -1.589 -5.865 -1.855 62 HE1 PHE 8 HE1 PHE 8 -5.402 -7.477 0.804 63 HE2 PHE 8 HE2 PHE 8 -2.774 -7.915 -2.524 64 HZ PHE 8 HZ PHE 8 -4.683 -8.724 -1.195 65 H LEU 9 H LEU 9 -3.263 -1.487 1.232 66 HA LEU 9 HA LEU 9 -6.049 -2.114 1.091 67 HB2 LEU 9 HB2 LEU 9 -4.334 -0.288 2.676 68 HB3 LEU 9 HB3 LEU 9 -6.048 0.104 2.567 69 HG LEU 9 HG LEU 9 -5.582 -1.136 4.597 70 HD11 LEU 9 HD11 LEU 9 -6.923 -3.283 3.148 71 HD12 LEU 9 HD12 LEU 9 -7.507 -2.259 4.461 72 HD13 LEU 9 HD13 LEU 9 -7.572 -1.681 2.797 73 HD21 LEU 9 HD21 LEU 9 -4.871 -3.589 3.071 74 HD22 LEU 9 HD22 LEU 9 -3.619 -2.379 3.352 75 HD23 LEU 9 HD23 LEU 9 -4.452 -3.120 4.719 76 H LYS 10 H LYS 10 -4.125 0.762 0.263 77 HA LYS 10 HA LYS 10 -6.204 2.358 -0.683 78 HB2 LYS 10 HB2 LYS 10 -3.968 3.237 -0.277 79 HB3 LYS 10 HB3 LYS 10 -3.318 2.252 -1.580 80 HG2 LYS 10 HG2 LYS 10 -3.518 4.420 -2.454 81 HG3 LYS 10 HG3 LYS 10 -4.871 3.509 -3.129 82 HD2 LYS 10 HD2 LYS 10 -5.962 5.410 -2.468 83 HD3 LYS 10 HD3 LYS 10 -6.117 4.443 -0.998 84 HE2 LYS 10 HE2 LYS 10 -3.771 6.262 -1.374 85 HE3 LYS 10 HE3 LYS 10 -5.319 6.908 -0.833 86 HZ1 LYS 10 HZ1 LYS 10 -4.541 6.379 1.185 87 HZ2 LYS 10 HZ2 LYS 10 -5.009 4.801 0.792 88 HZ3 LYS 10 HZ3 LYS 10 -3.399 5.282 0.590 89 H GLY 11 H GLY 11 -4.310 -0.133 -2.315 90 HA2 GLY 11 HA2 GLY 11 -4.850 -1.371 -4.190 91 HA3 GLY 11 HA3 GLY 11 -6.382 -0.515 -4.263 92 H LEU 12 H LEU 12 -6.666 0.813 -5.925 93 HA LEU 12 HA LEU 12 -4.274 1.852 -7.297 94 HB2 LEU 12 HB2 LEU 12 -6.901 1.001 -8.505 95 HB3 LEU 12 HB3 LEU 12 -5.580 1.763 -9.388 96 HG LEU 12 HG LEU 12 -5.550 -0.964 -8.101 97 HD11 LEU 12 HD11 LEU 12 -6.760 -0.457 -10.356 98 HD12 LEU 12 HD12 LEU 12 -5.119 -0.404 -10.999 99 HD13 LEU 12 HD13 LEU 12 -5.711 -1.866 -10.209 100 HD21 LEU 12 HD21 LEU 12 -3.369 -0.058 -7.846 101 HD22 LEU 12 HD22 LEU 12 -3.317 -1.139 -9.239 102 HD23 LEU 12 HD23 LEU 12 -3.384 0.607 -9.480 103 HN1 NH2 13 HN1 NH2 13 -7.786 2.455 -7.440 104 HN2 NH2 13 HN2 NH2 13 -7.733 4.149 -7.226 Start of MODEL 11 1 H1 ILE 1 H ILE 1 7.711 6.174 -0.819 2 HA ILE 1 HA ILE 1 7.225 4.409 -3.116 3 HB ILE 1 HB ILE 1 9.584 4.432 -1.232 4 HG12 ILE 1 HG12 ILE 1 9.452 6.471 -2.620 5 HG13 ILE 1 HG13 ILE 1 10.825 5.461 -3.064 6 HG21 ILE 1 HG21 ILE 1 8.783 2.725 -3.521 7 HG22 ILE 1 HG22 ILE 1 10.491 3.137 -3.362 8 HG23 ILE 1 HG23 ILE 1 9.657 2.308 -2.047 9 HD11 ILE 1 HD11 ILE 1 8.854 6.491 -4.744 10 HD12 ILE 1 HD12 ILE 1 10.114 5.326 -5.152 11 HD13 ILE 1 HD13 ILE 1 8.526 4.761 -4.631 12 H PHE 2 H PHE 2 8.323 3.931 0.244 13 HA PHE 2 HA PHE 2 7.405 1.298 0.455 14 HB2 PHE 2 HB2 PHE 2 8.017 3.395 2.534 15 HB3 PHE 2 HB3 PHE 2 7.526 1.761 2.967 16 HD1 PHE 2 HD1 PHE 2 10.264 3.794 2.618 17 HD2 PHE 2 HD2 PHE 2 8.908 -0.089 1.522 18 HE1 PHE 2 HE1 PHE 2 12.597 3.042 2.411 19 HE2 PHE 2 HE2 PHE 2 11.240 -0.847 1.313 20 HZ PHE 2 HZ PHE 2 13.087 0.719 1.756 21 H GLY 3 H GLY 3 5.672 0.476 1.856 22 HA2 GLY 3 HA2 GLY 3 3.586 0.945 3.033 23 HA3 GLY 3 HA3 GLY 3 3.336 2.282 1.920 24 H THR 4 H THR 4 4.385 -0.998 1.127 25 HA THR 4 HA THR 4 2.473 -1.215 -0.971 26 HB THR 4 HB THR 4 3.277 -3.541 -1.202 27 HG1 THR 4 HG1 THR 4 4.759 -4.357 0.245 28 HG21 THR 4 HG21 THR 4 5.869 -2.722 -1.183 29 HG22 THR 4 HG22 THR 4 4.717 -2.349 -2.465 30 HG23 THR 4 HG23 THR 4 5.023 -1.174 -1.187 31 H ILE 5 H ILE 5 2.805 -2.839 2.180 32 HA ILE 5 HA ILE 5 0.545 -4.454 2.031 33 HB ILE 5 HB ILE 5 1.704 -3.156 4.500 34 HG12 ILE 5 HG12 ILE 5 2.235 -5.918 3.399 35 HG13 ILE 5 HG13 ILE 5 3.277 -4.536 3.083 36 HG21 ILE 5 HG21 ILE 5 0.714 -5.413 5.443 37 HG22 ILE 5 HG22 ILE 5 -0.281 -3.964 5.291 38 HG23 ILE 5 HG23 ILE 5 -0.378 -5.233 4.071 39 HD11 ILE 5 HD11 ILE 5 2.784 -5.968 5.659 40 HD12 ILE 5 HD12 ILE 5 4.311 -5.627 4.846 41 HD13 ILE 5 HD13 ILE 5 3.421 -4.323 5.633 42 H LEU 6 H LEU 6 0.865 -1.073 2.945 43 HA LEU 6 HA LEU 6 -1.834 -0.804 3.860 44 HB2 LEU 6 HB2 LEU 6 0.199 1.268 3.050 45 HB3 LEU 6 HB3 LEU 6 -1.350 1.620 3.813 46 HG LEU 6 HG LEU 6 -0.437 0.058 5.705 47 HD11 LEU 6 HD11 LEU 6 1.609 -0.725 5.325 48 HD12 LEU 6 HD12 LEU 6 1.851 0.357 3.953 49 HD13 LEU 6 HD13 LEU 6 2.188 0.920 5.590 50 HD21 LEU 6 HD21 LEU 6 0.929 2.218 6.476 51 HD22 LEU 6 HD22 LEU 6 0.039 2.922 5.126 52 HD23 LEU 6 HD23 LEU 6 -0.834 2.161 6.457 53 H GLY 7 H GLY 7 -0.130 0.460 0.984 54 HA2 GLY 7 HA2 GLY 7 -2.319 1.524 -0.337 55 HA3 GLY 7 HA3 GLY 7 -0.888 0.895 -1.139 56 H PHE 8 H PHE 8 -1.258 -1.820 -0.172 57 HA PHE 8 HA PHE 8 -2.690 -2.911 -2.277 58 HB2 PHE 8 HB2 PHE 8 -1.033 -4.078 -0.745 59 HB3 PHE 8 HB3 PHE 8 -2.355 -4.262 0.402 60 HD1 PHE 8 HD1 PHE 8 -3.925 -5.988 0.175 61 HD2 PHE 8 HD2 PHE 8 -1.239 -5.132 -3.015 62 HE1 PHE 8 HE1 PHE 8 -4.631 -8.049 -0.968 63 HE2 PHE 8 HE2 PHE 8 -1.942 -7.192 -4.164 64 HZ PHE 8 HZ PHE 8 -3.640 -8.653 -3.140 65 H LEU 9 H LEU 9 -3.772 -2.048 0.961 66 HA LEU 9 HA LEU 9 -6.247 -3.278 1.026 67 HB2 LEU 9 HB2 LEU 9 -5.497 -0.562 2.097 68 HB3 LEU 9 HB3 LEU 9 -6.931 -1.476 2.558 69 HG LEU 9 HG LEU 9 -4.165 -2.567 2.987 70 HD11 LEU 9 HD11 LEU 9 -5.662 -0.544 4.589 71 HD12 LEU 9 HD12 LEU 9 -4.663 -1.743 5.411 72 HD13 LEU 9 HD13 LEU 9 -3.938 -0.648 4.233 73 HD21 LEU 9 HD21 LEU 9 -5.378 -4.325 3.614 74 HD22 LEU 9 HD22 LEU 9 -5.896 -3.365 5.000 75 HD23 LEU 9 HD23 LEU 9 -6.882 -3.406 3.538 76 H LYS 10 H LYS 10 -5.408 -0.095 -0.309 77 HA LYS 10 HA LYS 10 -8.080 0.389 -1.250 78 HB2 LYS 10 HB2 LYS 10 -5.471 1.818 -1.370 79 HB3 LYS 10 HB3 LYS 10 -6.684 2.235 -2.572 80 HG2 LYS 10 HG2 LYS 10 -6.829 3.737 -0.692 81 HG3 LYS 10 HG3 LYS 10 -8.278 2.732 -0.771 82 HD2 LYS 10 HD2 LYS 10 -7.463 1.325 1.001 83 HD3 LYS 10 HD3 LYS 10 -5.906 2.154 1.002 84 HE2 LYS 10 HE2 LYS 10 -8.369 3.766 1.435 85 HE3 LYS 10 HE3 LYS 10 -7.797 2.742 2.753 86 HZ1 LYS 10 HZ1 LYS 10 -5.911 3.971 3.014 87 HZ2 LYS 10 HZ2 LYS 10 -5.866 4.484 1.403 88 HZ3 LYS 10 HZ3 LYS 10 -6.958 5.190 2.485 89 H GLY 11 H GLY 11 -5.056 -0.769 -2.630 90 HA2 GLY 11 HA2 GLY 11 -4.602 -1.809 -4.624 91 HA3 GLY 11 HA3 GLY 11 -6.318 -2.172 -4.712 92 H LEU 12 H LEU 12 -4.098 0.582 -5.139 93 HA LEU 12 HA LEU 12 -5.549 1.247 -7.604 94 HB2 LEU 12 HB2 LEU 12 -5.717 3.509 -7.090 95 HB3 LEU 12 HB3 LEU 12 -6.177 2.693 -5.597 96 HG LEU 12 HG LEU 12 -3.451 3.872 -6.118 97 HD11 LEU 12 HD11 LEU 12 -5.944 5.132 -5.383 98 HD12 LEU 12 HD12 LEU 12 -4.724 5.325 -4.124 99 HD13 LEU 12 HD13 LEU 12 -4.385 5.857 -5.771 100 HD21 LEU 12 HD21 LEU 12 -3.526 3.731 -3.515 101 HD22 LEU 12 HD22 LEU 12 -4.754 2.498 -3.807 102 HD23 LEU 12 HD23 LEU 12 -3.129 2.298 -4.465 103 HN1 NH2 13 HN1 NH2 13 -4.315 2.319 -9.202 104 HN2 NH2 13 HN2 NH2 13 -2.607 2.318 -9.227 Start of MODEL 12 1 H1 ILE 1 H ILE 1 6.733 5.615 -2.101 2 HA ILE 1 HA ILE 1 5.539 5.038 0.532 3 HB ILE 1 HB ILE 1 4.389 4.364 -2.178 4 HG12 ILE 1 HG12 ILE 1 3.277 6.260 -0.109 5 HG13 ILE 1 HG13 ILE 1 4.308 6.795 -1.431 6 HG21 ILE 1 HG21 ILE 1 3.553 3.709 0.621 7 HG22 ILE 1 HG22 ILE 1 2.364 3.818 -0.676 8 HG23 ILE 1 HG23 ILE 1 3.679 2.648 -0.783 9 HD11 ILE 1 HD11 ILE 1 2.583 5.639 -2.948 10 HD12 ILE 1 HD12 ILE 1 1.534 5.692 -1.532 11 HD13 ILE 1 HD13 ILE 1 2.169 7.190 -2.215 12 H PHE 2 H PHE 2 6.842 3.516 1.375 13 HA PHE 2 HA PHE 2 7.556 1.216 -0.318 14 HB2 PHE 2 HB2 PHE 2 8.899 2.418 2.099 15 HB3 PHE 2 HB3 PHE 2 9.290 0.801 1.521 16 HD1 PHE 2 HD1 PHE 2 9.335 4.384 0.654 17 HD2 PHE 2 HD2 PHE 2 10.665 0.474 -0.375 18 HE1 PHE 2 HE1 PHE 2 10.923 5.352 -0.957 19 HE2 PHE 2 HE2 PHE 2 12.256 1.435 -1.987 20 HZ PHE 2 HZ PHE 2 12.387 3.877 -2.279 21 H GLY 3 H GLY 3 5.926 -0.217 -0.052 22 HA2 GLY 3 HA2 GLY 3 5.747 -1.973 1.986 23 HA3 GLY 3 HA3 GLY 3 4.727 -0.656 2.547 24 H THR 4 H THR 4 4.983 -3.372 0.470 25 HA THR 4 HA THR 4 2.935 -2.903 -1.359 26 HB THR 4 HB THR 4 3.331 -5.640 -0.204 27 HG1 THR 4 HG1 THR 4 5.202 -5.772 -1.625 28 HG21 THR 4 HG21 THR 4 2.975 -6.358 -2.459 29 HG22 THR 4 HG22 THR 4 1.724 -5.176 -2.076 30 HG23 THR 4 HG23 THR 4 3.107 -4.707 -3.065 31 H ILE 5 H ILE 5 2.776 -4.447 1.842 32 HA ILE 5 HA ILE 5 0.042 -5.021 1.840 33 HB ILE 5 HB ILE 5 1.728 -4.301 4.239 34 HG12 ILE 5 HG12 ILE 5 2.738 -6.100 2.882 35 HG13 ILE 5 HG13 ILE 5 2.173 -6.693 4.440 36 HG21 ILE 5 HG21 ILE 5 -0.003 -6.113 5.155 37 HG22 ILE 5 HG22 ILE 5 -0.341 -4.382 5.162 38 HG23 ILE 5 HG23 ILE 5 -0.994 -5.402 3.880 39 HD11 ILE 5 HD11 ILE 5 0.052 -6.999 2.606 40 HD12 ILE 5 HD12 ILE 5 1.517 -7.608 1.836 41 HD13 ILE 5 HD13 ILE 5 1.011 -8.251 3.398 42 H LEU 6 H LEU 6 1.699 -2.252 3.364 43 HA LEU 6 HA LEU 6 -0.535 -0.867 4.217 44 HB2 LEU 6 HB2 LEU 6 1.929 -0.373 4.633 45 HB3 LEU 6 HB3 LEU 6 1.902 0.485 3.093 46 HG LEU 6 HG LEU 6 -0.030 1.217 5.261 47 HD11 LEU 6 HD11 LEU 6 1.500 2.700 6.268 48 HD12 LEU 6 HD12 LEU 6 2.334 1.150 6.163 49 HD13 LEU 6 HD13 LEU 6 2.707 2.433 5.011 50 HD21 LEU 6 HD21 LEU 6 -0.571 2.835 3.844 51 HD22 LEU 6 HD22 LEU 6 1.108 3.364 3.745 52 HD23 LEU 6 HD23 LEU 6 0.512 2.112 2.655 53 H GLY 7 H GLY 7 1.196 -0.471 1.123 54 HA2 GLY 7 HA2 GLY 7 -0.487 1.468 0.020 55 HA3 GLY 7 HA3 GLY 7 0.495 0.341 -0.905 56 H PHE 8 H PHE 8 -0.775 -2.046 0.041 57 HA PHE 8 HA PHE 8 -2.767 -2.374 -1.858 58 HB2 PHE 8 HB2 PHE 8 -1.447 -4.125 -0.441 59 HB3 PHE 8 HB3 PHE 8 -2.798 -3.977 0.678 60 HD1 PHE 8 HD1 PHE 8 -5.091 -4.567 -0.081 61 HD2 PHE 8 HD2 PHE 8 -1.640 -5.351 -2.447 62 HE1 PHE 8 HE1 PHE 8 -6.382 -6.174 -1.426 63 HE2 PHE 8 HE2 PHE 8 -2.926 -6.958 -3.796 64 HZ PHE 8 HZ PHE 8 -5.300 -7.370 -3.286 65 H LEU 9 H LEU 9 -3.013 -1.386 1.509 66 HA LEU 9 HA LEU 9 -5.863 -1.500 1.619 67 HB2 LEU 9 HB2 LEU 9 -3.685 -0.475 3.354 68 HB3 LEU 9 HB3 LEU 9 -5.306 0.166 3.615 69 HG LEU 9 HG LEU 9 -5.900 -2.428 3.663 70 HD11 LEU 9 HD11 LEU 9 -4.232 -3.852 4.113 71 HD12 LEU 9 HD12 LEU 9 -3.198 -2.615 3.396 72 HD13 LEU 9 HD13 LEU 9 -3.392 -2.699 5.148 73 HD21 LEU 9 HD21 LEU 9 -6.296 -0.709 5.418 74 HD22 LEU 9 HD22 LEU 9 -5.874 -2.297 6.057 75 HD23 LEU 9 HD23 LEU 9 -4.667 -1.011 6.021 76 H LYS 10 H LYS 10 -3.501 1.087 1.098 77 HA LYS 10 HA LYS 10 -5.360 3.207 0.980 78 HB2 LYS 10 HB2 LYS 10 -2.771 3.259 1.192 79 HB3 LYS 10 HB3 LYS 10 -2.783 3.200 -0.566 80 HG2 LYS 10 HG2 LYS 10 -2.609 5.475 0.046 81 HG3 LYS 10 HG3 LYS 10 -4.262 5.229 -0.522 82 HD2 LYS 10 HD2 LYS 10 -5.134 5.285 1.662 83 HD3 LYS 10 HD3 LYS 10 -3.541 5.066 2.391 84 HE2 LYS 10 HE2 LYS 10 -2.955 7.259 2.099 85 HE3 LYS 10 HE3 LYS 10 -3.988 7.459 0.685 86 HZ1 LYS 10 HZ1 LYS 10 -5.205 8.609 2.187 87 HZ2 LYS 10 HZ2 LYS 10 -5.837 7.073 2.515 88 HZ3 LYS 10 HZ3 LYS 10 -4.639 7.727 3.515 89 H GLY 11 H GLY 11 -4.080 1.012 -1.466 90 HA2 GLY 11 HA2 GLY 11 -6.313 1.219 -3.142 91 HA3 GLY 11 HA3 GLY 11 -5.096 2.340 -3.735 92 H LEU 12 H LEU 12 -4.409 1.384 -5.563 93 HA LEU 12 HA LEU 12 -3.488 -1.409 -5.373 94 HB2 LEU 12 HB2 LEU 12 -3.650 -1.281 -7.930 95 HB3 LEU 12 HB3 LEU 12 -5.140 -1.414 -6.998 96 HG LEU 12 HG LEU 12 -4.203 1.299 -7.791 97 HD11 LEU 12 HD11 LEU 12 -5.690 0.860 -9.894 98 HD12 LEU 12 HD12 LEU 12 -3.977 0.439 -9.907 99 HD13 LEU 12 HD13 LEU 12 -5.191 -0.814 -9.647 100 HD21 LEU 12 HD21 LEU 12 -6.169 1.745 -6.852 101 HD22 LEU 12 HD22 LEU 12 -6.931 0.950 -8.230 102 HD23 LEU 12 HD23 LEU 12 -6.586 0.034 -6.764 103 HN1 NH2 13 HN1 NH2 13 -2.705 1.821 -6.548 104 HN2 NH2 13 HN2 NH2 13 -1.031 1.590 -6.797 Start of MODEL 13 1 H1 ILE 1 H ILE 1 11.426 4.258 3.011 2 HA ILE 1 HA ILE 1 10.709 1.998 1.489 3 HB ILE 1 HB ILE 1 11.138 0.827 3.633 4 HG12 ILE 1 HG12 ILE 1 8.959 -0.365 3.716 5 HG13 ILE 1 HG13 ILE 1 8.247 0.915 2.739 6 HG21 ILE 1 HG21 ILE 1 9.696 1.183 5.540 7 HG22 ILE 1 HG22 ILE 1 10.502 2.693 5.117 8 HG23 ILE 1 HG23 ILE 1 8.813 2.441 4.674 9 HD11 ILE 1 HD11 ILE 1 9.595 -1.417 1.887 10 HD12 ILE 1 HD12 ILE 1 8.872 -0.143 0.907 11 HD13 ILE 1 HD13 ILE 1 10.560 -0.025 1.400 12 H PHE 2 H PHE 2 8.735 2.284 0.592 13 HA PHE 2 HA PHE 2 7.323 4.726 1.249 14 HB2 PHE 2 HB2 PHE 2 7.824 3.850 -1.119 15 HB3 PHE 2 HB3 PHE 2 6.494 2.729 -0.846 16 HD1 PHE 2 HD1 PHE 2 7.127 6.372 -0.312 17 HD2 PHE 2 HD2 PHE 2 4.512 3.358 -1.792 18 HE1 PHE 2 HE1 PHE 2 5.529 8.107 -1.012 19 HE2 PHE 2 HE2 PHE 2 2.910 5.088 -2.496 20 HZ PHE 2 HZ PHE 2 3.418 7.466 -2.106 21 H GLY 3 H GLY 3 6.545 1.257 1.043 22 HA2 GLY 3 HA2 GLY 3 5.239 0.563 3.138 23 HA3 GLY 3 HA3 GLY 3 4.103 1.792 2.604 24 H THR 4 H THR 4 5.354 -1.398 2.052 25 HA THR 4 HA THR 4 4.035 -1.949 -0.385 26 HB THR 4 HB THR 4 4.728 -3.970 1.750 27 HG1 THR 4 HG1 THR 4 6.769 -3.709 1.229 28 HG21 THR 4 HG21 THR 4 4.592 -4.229 -1.256 29 HG22 THR 4 HG22 THR 4 4.922 -5.520 -0.099 30 HG23 THR 4 HG23 THR 4 3.331 -4.757 -0.141 31 H ILE 5 H ILE 5 3.142 -2.645 2.989 32 HA ILE 5 HA ILE 5 0.690 -3.896 2.421 33 HB ILE 5 HB ILE 5 1.432 -2.343 4.904 34 HG12 ILE 5 HG12 ILE 5 3.067 -4.099 4.406 35 HG13 ILE 5 HG13 ILE 5 2.107 -4.524 5.818 36 HG21 ILE 5 HG21 ILE 5 -0.903 -2.696 4.927 37 HG22 ILE 5 HG22 ILE 5 -0.736 -4.342 4.317 38 HG23 ILE 5 HG23 ILE 5 -0.215 -3.951 5.956 39 HD11 ILE 5 HD11 ILE 5 0.698 -5.944 4.336 40 HD12 ILE 5 HD12 ILE 5 1.841 -5.619 3.033 41 HD13 ILE 5 HD13 ILE 5 2.376 -6.472 4.481 42 H LEU 6 H LEU 6 1.499 -0.515 3.097 43 HA LEU 6 HA LEU 6 -1.144 0.462 3.138 44 HB2 LEU 6 HB2 LEU 6 1.559 1.654 2.805 45 HB3 LEU 6 HB3 LEU 6 0.160 2.635 2.373 46 HG LEU 6 HG LEU 6 0.515 1.361 5.080 47 HD11 LEU 6 HD11 LEU 6 0.857 4.236 4.960 48 HD12 LEU 6 HD12 LEU 6 1.850 3.009 5.748 49 HD13 LEU 6 HD13 LEU 6 2.095 3.379 4.041 50 HD21 LEU 6 HD21 LEU 6 -1.037 3.604 5.328 51 HD22 LEU 6 HD22 LEU 6 -1.549 2.956 3.770 52 HD23 LEU 6 HD23 LEU 6 -1.637 1.950 5.216 53 H GLY 7 H GLY 7 1.306 0.665 0.544 54 HA2 GLY 7 HA2 GLY 7 -0.313 1.759 -1.425 55 HA3 GLY 7 HA3 GLY 7 1.076 0.730 -1.739 56 H PHE 8 H PHE 8 0.233 -1.674 -0.693 57 HA PHE 8 HA PHE 8 -1.290 -2.729 -2.788 58 HB2 PHE 8 HB2 PHE 8 0.295 -3.929 -1.140 59 HB3 PHE 8 HB3 PHE 8 -1.109 -4.038 -0.084 60 HD1 PHE 8 HD1 PHE 8 -3.263 -5.032 -1.206 61 HD2 PHE 8 HD2 PHE 8 0.704 -5.631 -2.627 62 HE1 PHE 8 HE1 PHE 8 -3.998 -7.058 -2.393 63 HE2 PHE 8 HE2 PHE 8 -0.025 -7.658 -3.816 64 HZ PHE 8 HZ PHE 8 -2.378 -8.375 -3.700 65 H LEU 9 H LEU 9 -2.218 -1.635 0.428 66 HA LEU 9 HA LEU 9 -4.904 -2.576 0.278 67 HB2 LEU 9 HB2 LEU 9 -3.783 -2.143 2.405 68 HB3 LEU 9 HB3 LEU 9 -3.682 -0.429 2.006 69 HG LEU 9 HG LEU 9 -6.212 -0.416 1.983 70 HD11 LEU 9 HD11 LEU 9 -7.434 -2.183 2.870 71 HD12 LEU 9 HD12 LEU 9 -6.258 -2.983 1.828 72 HD13 LEU 9 HD13 LEU 9 -6.010 -2.946 3.573 73 HD21 LEU 9 HD21 LEU 9 -5.935 0.502 3.981 74 HD22 LEU 9 HD22 LEU 9 -5.800 -1.094 4.719 75 HD23 LEU 9 HD23 LEU 9 -4.358 -0.277 4.113 76 H LYS 10 H LYS 10 -3.338 0.536 -0.342 77 HA LYS 10 HA LYS 10 -5.719 1.976 -0.870 78 HB2 LYS 10 HB2 LYS 10 -3.294 2.819 -0.395 79 HB3 LYS 10 HB3 LYS 10 -3.090 2.674 -2.135 80 HG2 LYS 10 HG2 LYS 10 -4.726 4.302 -2.571 81 HG3 LYS 10 HG3 LYS 10 -5.338 4.244 -0.916 82 HD2 LYS 10 HD2 LYS 10 -2.950 5.012 -0.267 83 HD3 LYS 10 HD3 LYS 10 -2.819 5.485 -1.963 84 HE2 LYS 10 HE2 LYS 10 -4.433 7.119 -1.768 85 HE3 LYS 10 HE3 LYS 10 -5.204 6.342 -0.387 86 HZ1 LYS 10 HZ1 LYS 10 -2.482 7.239 0.050 87 HZ2 LYS 10 HZ2 LYS 10 -3.612 8.473 -0.200 88 HZ3 LYS 10 HZ3 LYS 10 -3.839 7.361 1.055 89 H GLY 11 H GLY 11 -3.523 0.107 -2.898 90 HA2 GLY 11 HA2 GLY 11 -4.908 0.848 -5.332 91 HA3 GLY 11 HA3 GLY 11 -3.572 -0.285 -5.192 92 H LEU 12 H LEU 12 -6.301 -0.372 -6.519 93 HA LEU 12 HA LEU 12 -7.290 -2.827 -5.229 94 HB2 LEU 12 HB2 LEU 12 -9.359 -2.313 -6.674 95 HB3 LEU 12 HB3 LEU 12 -9.083 -1.373 -5.209 96 HG LEU 12 HG LEU 12 -8.118 0.432 -6.642 97 HD11 LEU 12 HD11 LEU 12 -8.704 0.353 -9.056 98 HD12 LEU 12 HD12 LEU 12 -7.475 -0.820 -8.580 99 HD13 LEU 12 HD13 LEU 12 -9.137 -1.344 -8.851 100 HD21 LEU 12 HD21 LEU 12 -10.850 -0.020 -7.686 101 HD22 LEU 12 HD22 LEU 12 -10.657 0.007 -5.934 102 HD23 LEU 12 HD23 LEU 12 -10.154 1.396 -6.897 103 HN1 NH2 13 HN1 NH2 13 -5.049 -2.966 -6.882 104 HN2 NH2 13 HN2 NH2 13 -5.410 -3.812 -8.320 Start of MODEL 14 1 H1 ILE 1 H ILE 1 7.225 0.464 -2.735 2 HA ILE 1 HA ILE 1 8.521 2.266 -1.663 3 HB ILE 1 HB ILE 1 5.640 3.111 -1.969 4 HG12 ILE 1 HG12 ILE 1 6.770 3.722 -4.345 5 HG13 ILE 1 HG13 ILE 1 7.666 2.258 -3.956 6 HG21 ILE 1 HG21 ILE 1 7.641 4.946 -2.930 7 HG22 ILE 1 HG22 ILE 1 6.368 5.198 -1.736 8 HG23 ILE 1 HG23 ILE 1 7.926 4.535 -1.239 9 HD11 ILE 1 HD11 ILE 1 4.865 2.609 -4.737 10 HD12 ILE 1 HD12 ILE 1 5.956 1.245 -4.979 11 HD13 ILE 1 HD13 ILE 1 5.142 1.458 -3.430 12 H PHE 2 H PHE 2 8.758 1.207 0.522 13 HA PHE 2 HA PHE 2 8.660 1.321 2.792 14 HB2 PHE 2 HB2 PHE 2 8.825 3.863 1.959 15 HB3 PHE 2 HB3 PHE 2 7.257 3.941 2.755 16 HD1 PHE 2 HD1 PHE 2 10.302 4.985 3.334 17 HD2 PHE 2 HD2 PHE 2 7.607 2.162 5.034 18 HE1 PHE 2 HE1 PHE 2 11.425 5.228 5.509 19 HE2 PHE 2 HE2 PHE 2 8.726 2.402 7.212 20 HZ PHE 2 HZ PHE 2 10.638 3.936 7.453 21 H GLY 3 H GLY 3 6.680 -0.195 1.805 22 HA2 GLY 3 HA2 GLY 3 4.922 -0.838 3.597 23 HA3 GLY 3 HA3 GLY 3 4.199 0.688 3.111 24 H THR 4 H THR 4 5.401 -2.346 1.683 25 HA THR 4 HA THR 4 4.063 -2.184 -0.746 26 HB THR 4 HB THR 4 4.150 -4.724 -0.719 27 HG1 THR 4 HG1 THR 4 5.682 -4.366 1.643 28 HG21 THR 4 HG21 THR 4 5.942 -3.292 -1.654 29 HG22 THR 4 HG22 THR 4 6.727 -3.284 -0.074 30 HG23 THR 4 HG23 THR 4 6.560 -4.795 -0.969 31 H ILE 5 H ILE 5 2.923 -3.285 2.393 32 HA ILE 5 HA ILE 5 0.433 -4.303 1.399 33 HB ILE 5 HB ILE 5 1.230 -3.590 4.224 34 HG12 ILE 5 HG12 ILE 5 1.205 -6.261 4.212 35 HG13 ILE 5 HG13 ILE 5 1.603 -6.001 2.517 36 HG21 ILE 5 HG21 ILE 5 -0.639 -5.256 4.742 37 HG22 ILE 5 HG22 ILE 5 -1.109 -3.641 4.213 38 HG23 ILE 5 HG23 ILE 5 -1.163 -4.992 3.080 39 HD11 ILE 5 HD11 ILE 5 3.205 -4.373 4.309 40 HD12 ILE 5 HD12 ILE 5 3.380 -6.103 4.603 41 HD13 ILE 5 HD13 ILE 5 3.699 -5.444 2.999 42 H LEU 6 H LEU 6 1.468 -1.335 3.036 43 HA LEU 6 HA LEU 6 -1.081 -0.176 3.299 44 HB2 LEU 6 HB2 LEU 6 1.226 0.488 4.309 45 HB3 LEU 6 HB3 LEU 6 1.377 1.468 2.851 46 HG LEU 6 HG LEU 6 -1.052 1.763 4.563 47 HD11 LEU 6 HD11 LEU 6 1.277 3.500 5.141 48 HD12 LEU 6 HD12 LEU 6 -0.046 2.986 6.188 49 HD13 LEU 6 HD13 LEU 6 1.280 1.878 5.834 50 HD21 LEU 6 HD21 LEU 6 -0.149 4.221 3.705 51 HD22 LEU 6 HD22 LEU 6 0.252 3.148 2.365 52 HD23 LEU 6 HD23 LEU 6 -1.410 3.253 2.943 53 H GLY 7 H GLY 7 1.255 -0.174 0.668 54 HA2 GLY 7 HA2 GLY 7 -0.232 1.754 -0.888 55 HA3 GLY 7 HA3 GLY 7 1.187 0.859 -1.410 56 H PHE 8 H PHE 8 0.373 -1.743 -1.079 57 HA PHE 8 HA PHE 8 -0.985 -2.287 -3.427 58 HB2 PHE 8 HB2 PHE 8 0.335 -3.994 -2.360 59 HB3 PHE 8 HB3 PHE 8 -0.697 -3.969 -0.934 60 HD1 PHE 8 HD1 PHE 8 -2.868 -5.035 -0.949 61 HD2 PHE 8 HD2 PHE 8 -0.363 -5.099 -4.390 62 HE1 PHE 8 HE1 PHE 8 -4.256 -6.818 -1.922 63 HE2 PHE 8 HE2 PHE 8 -1.747 -6.881 -5.369 64 HZ PHE 8 HZ PHE 8 -3.696 -7.745 -4.135 65 H LEU 9 H LEU 9 -2.258 -2.111 -0.123 66 HA LEU 9 HA LEU 9 -4.929 -2.770 -0.853 67 HB2 LEU 9 HB2 LEU 9 -3.691 -1.535 1.586 68 HB3 LEU 9 HB3 LEU 9 -5.434 -1.747 1.435 69 HG LEU 9 HG LEU 9 -3.467 -4.023 1.256 70 HD11 LEU 9 HD11 LEU 9 -4.002 -2.513 3.524 71 HD12 LEU 9 HD12 LEU 9 -5.051 -3.922 3.671 72 HD13 LEU 9 HD13 LEU 9 -3.312 -4.135 3.470 73 HD21 LEU 9 HD21 LEU 9 -5.315 -5.009 0.457 74 HD22 LEU 9 HD22 LEU 9 -5.846 -5.007 2.139 75 HD23 LEU 9 HD23 LEU 9 -6.375 -3.728 1.047 76 H LYS 10 H LYS 10 -3.320 0.300 -0.055 77 HA LYS 10 HA LYS 10 -5.473 2.014 -0.320 78 HB2 LYS 10 HB2 LYS 10 -3.332 2.778 0.521 79 HB3 LYS 10 HB3 LYS 10 -2.574 2.478 -1.037 80 HG2 LYS 10 HG2 LYS 10 -3.714 4.275 -2.051 81 HG3 LYS 10 HG3 LYS 10 -4.822 4.437 -0.686 82 HD2 LYS 10 HD2 LYS 10 -3.069 5.250 0.726 83 HD3 LYS 10 HD3 LYS 10 -1.846 4.884 -0.494 84 HE2 LYS 10 HE2 LYS 10 -2.127 7.150 -0.791 85 HE3 LYS 10 HE3 LYS 10 -3.255 6.501 -1.980 86 HZ1 LYS 10 HZ1 LYS 10 -4.758 7.787 -0.994 87 HZ2 LYS 10 HZ2 LYS 10 -4.740 6.686 0.291 88 HZ3 LYS 10 HZ3 LYS 10 -3.778 8.075 0.355 89 H GLY 11 H GLY 11 -3.457 0.567 -2.813 90 HA2 GLY 11 HA2 GLY 11 -4.582 2.139 -4.944 91 HA3 GLY 11 HA3 GLY 11 -3.531 0.741 -5.120 92 H LEU 12 H LEU 12 -6.849 1.795 -4.658 93 HA LEU 12 HA LEU 12 -7.752 -0.868 -5.540 94 HB2 LEU 12 HB2 LEU 12 -9.970 -0.085 -4.497 95 HB3 LEU 12 HB3 LEU 12 -8.671 -0.627 -3.434 96 HG LEU 12 HG LEU 12 -8.091 1.800 -3.087 97 HD11 LEU 12 HD11 LEU 12 -10.027 3.367 -3.533 98 HD12 LEU 12 HD12 LEU 12 -9.088 2.866 -4.939 99 HD13 LEU 12 HD13 LEU 12 -10.657 2.128 -4.618 100 HD21 LEU 12 HD21 LEU 12 -9.544 1.986 -1.308 101 HD22 LEU 12 HD22 LEU 12 -10.903 1.314 -2.209 102 HD23 LEU 12 HD23 LEU 12 -9.613 0.256 -1.640 103 HN1 NH2 13 HN1 NH2 13 -6.903 1.057 -7.389 104 HN2 NH2 13 HN2 NH2 13 -8.221 1.604 -8.327 Start of MODEL 15 1 H1 ILE 1 H ILE 1 9.300 4.976 -2.472 2 HA ILE 1 HA ILE 1 7.291 5.939 -0.579 3 HB ILE 1 HB ILE 1 6.572 4.546 -3.160 4 HG12 ILE 1 HG12 ILE 1 5.711 7.289 -2.251 5 HG13 ILE 1 HG13 ILE 1 7.155 7.037 -3.226 6 HG21 ILE 1 HG21 ILE 1 4.227 5.353 -2.103 7 HG22 ILE 1 HG22 ILE 1 4.910 3.745 -1.865 8 HG23 ILE 1 HG23 ILE 1 5.128 4.987 -0.633 9 HD11 ILE 1 HD11 ILE 1 5.749 7.368 -4.934 10 HD12 ILE 1 HD12 ILE 1 5.324 5.676 -4.672 11 HD13 ILE 1 HD13 ILE 1 4.325 6.954 -3.980 12 H PHE 2 H PHE 2 7.368 4.581 1.074 13 HA PHE 2 HA PHE 2 8.032 1.763 0.576 14 HB2 PHE 2 HB2 PHE 2 9.469 3.067 2.162 15 HB3 PHE 2 HB3 PHE 2 8.066 3.247 3.211 16 HD1 PHE 2 HD1 PHE 2 9.664 0.428 1.351 17 HD2 PHE 2 HD2 PHE 2 8.126 1.883 5.043 18 HE1 PHE 2 HE1 PHE 2 10.191 -1.726 2.415 19 HE2 PHE 2 HE2 PHE 2 8.652 -0.269 6.114 20 HZ PHE 2 HZ PHE 2 9.684 -2.078 4.800 21 H GLY 3 H GLY 3 6.850 0.101 1.656 22 HA2 GLY 3 HA2 GLY 3 5.010 -0.701 2.928 23 HA3 GLY 3 HA3 GLY 3 4.259 0.883 2.786 24 H THR 4 H THR 4 5.293 -1.851 0.753 25 HA THR 4 HA THR 4 3.789 -1.289 -1.499 26 HB THR 4 HB THR 4 3.791 -3.777 -1.909 27 HG1 THR 4 HG1 THR 4 3.925 -4.864 -0.080 28 HG21 THR 4 HG21 THR 4 6.467 -2.653 -1.080 29 HG22 THR 4 HG22 THR 4 6.163 -3.907 -2.282 30 HG23 THR 4 HG23 THR 4 5.645 -2.249 -2.587 31 H ILE 5 H ILE 5 2.858 -3.375 1.240 32 HA ILE 5 HA ILE 5 0.244 -3.891 0.331 33 HB ILE 5 HB ILE 5 1.280 -3.899 3.169 34 HG12 ILE 5 HG12 ILE 5 0.898 -6.280 1.362 35 HG13 ILE 5 HG13 ILE 5 2.414 -5.388 1.407 36 HG21 ILE 5 HG21 ILE 5 -1.285 -4.787 1.929 37 HG22 ILE 5 HG22 ILE 5 -0.641 -5.660 3.319 38 HG23 ILE 5 HG23 ILE 5 -1.005 -3.940 3.450 39 HD11 ILE 5 HD11 ILE 5 1.367 -7.360 3.241 40 HD12 ILE 5 HD12 ILE 5 3.011 -6.754 3.046 41 HD13 ILE 5 HD13 ILE 5 1.865 -5.882 4.064 42 H LEU 6 H LEU 6 1.547 -1.406 2.488 43 HA LEU 6 HA LEU 6 -0.842 -0.282 3.362 44 HB2 LEU 6 HB2 LEU 6 1.957 0.510 3.216 45 HB3 LEU 6 HB3 LEU 6 0.851 1.875 3.088 46 HG LEU 6 HG LEU 6 1.576 1.545 5.386 47 HD11 LEU 6 HD11 LEU 6 -0.465 1.929 6.325 48 HD12 LEU 6 HD12 LEU 6 -0.884 2.131 4.624 49 HD13 LEU 6 HD13 LEU 6 -1.244 0.613 5.447 50 HD21 LEU 6 HD21 LEU 6 1.161 -0.430 6.621 51 HD22 LEU 6 HD22 LEU 6 0.182 -1.121 5.327 52 HD23 LEU 6 HD23 LEU 6 1.923 -0.940 5.114 53 H GLY 7 H GLY 7 1.046 0.404 0.440 54 HA2 GLY 7 HA2 GLY 7 -0.672 2.498 -0.464 55 HA3 GLY 7 HA3 GLY 7 0.554 1.676 -1.417 56 H PHE 8 H PHE 8 -0.316 -0.916 -1.394 57 HA PHE 8 HA PHE 8 -2.192 -0.976 -3.436 58 HB2 PHE 8 HB2 PHE 8 -0.802 -2.915 -1.783 59 HB3 PHE 8 HB3 PHE 8 -2.439 -3.447 -2.158 60 HD1 PHE 8 HD1 PHE 8 -3.151 -3.459 -4.602 61 HD2 PHE 8 HD2 PHE 8 0.904 -3.124 -3.350 62 HE1 PHE 8 HE1 PHE 8 -2.406 -4.186 -6.831 63 HE2 PHE 8 HE2 PHE 8 1.656 -3.849 -5.577 64 HZ PHE 8 HZ PHE 8 0.000 -4.381 -7.322 65 H LEU 9 H LEU 9 -2.694 -1.773 0.002 66 HA LEU 9 HA LEU 9 -5.428 -2.265 -0.120 67 HB2 LEU 9 HB2 LEU 9 -4.189 -2.841 1.834 68 HB3 LEU 9 HB3 LEU 9 -3.720 -1.164 2.100 69 HG LEU 9 HG LEU 9 -6.143 -0.661 2.538 70 HD11 LEU 9 HD11 LEU 9 -7.267 -2.456 1.500 71 HD12 LEU 9 HD12 LEU 9 -6.305 -3.656 2.363 72 HD13 LEU 9 HD13 LEU 9 -7.489 -2.684 3.235 73 HD21 LEU 9 HD21 LEU 9 -4.427 -2.396 4.245 74 HD22 LEU 9 HD22 LEU 9 -4.926 -0.721 4.479 75 HD23 LEU 9 HD23 LEU 9 -6.068 -2.032 4.777 76 H LYS 10 H LYS 10 -3.746 0.783 0.613 77 HA LYS 10 HA LYS 10 -6.019 2.368 0.985 78 HB2 LYS 10 HB2 LYS 10 -3.160 2.862 0.371 79 HB3 LYS 10 HB3 LYS 10 -4.274 4.176 0.017 80 HG2 LYS 10 HG2 LYS 10 -5.113 3.933 2.387 81 HG3 LYS 10 HG3 LYS 10 -3.730 2.872 2.667 82 HD2 LYS 10 HD2 LYS 10 -3.464 5.665 1.573 83 HD3 LYS 10 HD3 LYS 10 -3.410 5.299 3.300 84 HE2 LYS 10 HE2 LYS 10 -1.569 3.632 2.707 85 HE3 LYS 10 HE3 LYS 10 -1.506 4.438 1.140 86 HZ1 LYS 10 HZ1 LYS 10 -1.245 5.920 3.689 87 HZ2 LYS 10 HZ2 LYS 10 0.091 5.255 2.890 88 HZ3 LYS 10 HZ3 LYS 10 -0.844 6.442 2.130 89 H GLY 11 H GLY 11 -4.269 1.481 -1.945 90 HA2 GLY 11 HA2 GLY 11 -5.665 3.258 -3.675 91 HA3 GLY 11 HA3 GLY 11 -4.722 1.859 -4.169 92 H LEU 12 H LEU 12 -5.968 -0.266 -3.210 93 HA LEU 12 HA LEU 12 -8.549 -0.181 -4.581 94 HB2 LEU 12 HB2 LEU 12 -6.721 -2.422 -3.768 95 HB3 LEU 12 HB3 LEU 12 -8.360 -2.708 -4.348 96 HG LEU 12 HG LEU 12 -6.611 -1.067 -6.080 97 HD11 LEU 12 HD11 LEU 12 -5.005 -2.715 -5.441 98 HD12 LEU 12 HD12 LEU 12 -6.182 -4.013 -5.633 99 HD13 LEU 12 HD13 LEU 12 -5.603 -3.131 -7.046 100 HD21 LEU 12 HD21 LEU 12 -8.466 -1.444 -7.274 101 HD22 LEU 12 HD22 LEU 12 -7.777 -3.040 -7.567 102 HD23 LEU 12 HD23 LEU 12 -8.949 -2.811 -6.270 103 HN1 NH2 13 HN1 NH2 13 -8.615 1.063 -2.137 104 HN2 NH2 13 HN2 NH2 13 -9.521 0.169 -0.999 Start of MODEL 16 1 H1 ILE 1 H ILE 1 6.532 6.761 -0.425 2 HA ILE 1 HA ILE 1 4.811 5.101 -0.344 3 HB ILE 1 HB ILE 1 5.421 5.451 -3.277 4 HG12 ILE 1 HG12 ILE 1 3.931 7.317 -1.418 5 HG13 ILE 1 HG13 ILE 1 5.518 7.622 -2.116 6 HG21 ILE 1 HG21 ILE 1 3.308 4.774 -3.702 7 HG22 ILE 1 HG22 ILE 1 3.498 3.947 -2.156 8 HG23 ILE 1 HG23 ILE 1 2.664 5.499 -2.228 9 HD11 ILE 1 HD11 ILE 1 4.031 8.843 -3.431 10 HD12 ILE 1 HD12 ILE 1 4.373 7.394 -4.378 11 HD13 ILE 1 HD13 ILE 1 2.858 7.527 -3.486 12 H PHE 2 H PHE 2 6.342 3.363 0.497 13 HA PHE 2 HA PHE 2 6.628 1.245 -1.532 14 HB2 PHE 2 HB2 PHE 2 8.389 0.303 0.024 15 HB3 PHE 2 HB3 PHE 2 8.815 1.814 -0.774 16 HD1 PHE 2 HD1 PHE 2 7.523 0.415 2.408 17 HD2 PHE 2 HD2 PHE 2 9.450 3.678 0.471 18 HE1 PHE 2 HE1 PHE 2 7.997 1.431 4.598 19 HE2 PHE 2 HE2 PHE 2 9.929 4.698 2.657 20 HZ PHE 2 HZ PHE 2 9.203 3.574 4.726 21 H GLY 3 H GLY 3 6.821 -0.992 -0.241 22 HA2 GLY 3 HA2 GLY 3 5.853 -2.505 1.237 23 HA3 GLY 3 HA3 GLY 3 4.999 -1.171 2.000 24 H THR 4 H THR 4 4.826 -3.730 -0.267 25 HA THR 4 HA THR 4 2.647 -2.967 -1.836 26 HB THR 4 HB THR 4 2.992 -5.808 -0.929 27 HG1 THR 4 HG1 THR 4 4.578 -4.564 -2.938 28 HG21 THR 4 HG21 THR 4 1.868 -4.371 -3.265 29 HG22 THR 4 HG22 THR 4 2.687 -5.900 -3.589 30 HG23 THR 4 HG23 THR 4 1.322 -5.850 -2.473 31 H ILE 5 H ILE 5 2.721 -4.679 1.276 32 HA ILE 5 HA ILE 5 0.003 -5.180 1.554 33 HB ILE 5 HB ILE 5 1.968 -4.501 3.745 34 HG12 ILE 5 HG12 ILE 5 1.104 -7.228 2.777 35 HG13 ILE 5 HG13 ILE 5 2.558 -6.421 2.200 36 HG21 ILE 5 HG21 ILE 5 0.205 -6.209 4.863 37 HG22 ILE 5 HG22 ILE 5 0.073 -4.453 4.964 38 HG23 ILE 5 HG23 ILE 5 -0.854 -5.339 3.752 39 HD11 ILE 5 HD11 ILE 5 3.328 -6.319 4.578 40 HD12 ILE 5 HD12 ILE 5 1.959 -7.351 4.992 41 HD13 ILE 5 HD13 ILE 5 3.207 -7.940 3.894 42 H LEU 6 H LEU 6 1.861 -2.306 2.485 43 HA LEU 6 HA LEU 6 -0.308 -0.920 3.659 44 HB2 LEU 6 HB2 LEU 6 2.422 -0.225 2.728 45 HB3 LEU 6 HB3 LEU 6 1.279 1.097 2.960 46 HG LEU 6 HG LEU 6 1.747 -0.885 5.154 47 HD11 LEU 6 HD11 LEU 6 3.811 0.619 4.018 48 HD12 LEU 6 HD12 LEU 6 3.333 1.490 5.475 49 HD13 LEU 6 HD13 LEU 6 3.815 -0.204 5.577 50 HD21 LEU 6 HD21 LEU 6 0.175 0.454 6.013 51 HD22 LEU 6 HD22 LEU 6 1.475 1.629 6.208 52 HD23 LEU 6 HD23 LEU 6 0.431 1.697 4.788 53 H GLY 7 H GLY 7 1.225 -0.610 0.454 54 HA2 GLY 7 HA2 GLY 7 -0.466 1.358 -0.573 55 HA3 GLY 7 HA3 GLY 7 0.406 0.178 -1.539 56 H PHE 8 H PHE 8 -0.905 -2.125 -0.378 57 HA PHE 8 HA PHE 8 -3.076 -2.359 -2.138 58 HB2 PHE 8 HB2 PHE 8 -1.658 -4.204 -1.007 59 HB3 PHE 8 HB3 PHE 8 -2.792 -4.053 0.331 60 HD1 PHE 8 HD1 PHE 8 -4.417 -5.658 0.368 61 HD2 PHE 8 HD2 PHE 8 -3.018 -4.238 -3.394 62 HE1 PHE 8 HE1 PHE 8 -5.973 -7.178 -0.781 63 HE2 PHE 8 HE2 PHE 8 -4.575 -5.755 -4.548 64 HZ PHE 8 HZ PHE 8 -6.054 -7.228 -3.241 65 H LEU 9 H LEU 9 -2.987 -1.806 1.367 66 HA LEU 9 HA LEU 9 -5.719 -1.851 1.874 67 HB2 LEU 9 HB2 LEU 9 -3.986 -1.790 3.609 68 HB3 LEU 9 HB3 LEU 9 -3.620 -0.121 3.177 69 HG LEU 9 HG LEU 9 -5.911 0.514 3.887 70 HD11 LEU 9 HD11 LEU 9 -7.121 -1.507 3.615 71 HD12 LEU 9 HD12 LEU 9 -6.031 -2.383 4.690 72 HD13 LEU 9 HD13 LEU 9 -7.108 -1.148 5.341 73 HD21 LEU 9 HD21 LEU 9 -3.704 0.210 5.392 74 HD22 LEU 9 HD22 LEU 9 -5.227 0.846 6.013 75 HD23 LEU 9 HD23 LEU 9 -4.813 -0.851 6.260 76 H LYS 10 H LYS 10 -3.659 0.907 0.987 77 HA LYS 10 HA LYS 10 -5.772 2.802 0.962 78 HB2 LYS 10 HB2 LYS 10 -3.044 2.840 -0.336 79 HB3 LYS 10 HB3 LYS 10 -4.139 4.215 -0.311 80 HG2 LYS 10 HG2 LYS 10 -3.343 2.898 2.246 81 HG3 LYS 10 HG3 LYS 10 -2.250 4.034 1.453 82 HD2 LYS 10 HD2 LYS 10 -4.007 5.741 1.486 83 HD3 LYS 10 HD3 LYS 10 -5.097 4.603 2.281 84 HE2 LYS 10 HE2 LYS 10 -3.585 4.481 4.192 85 HE3 LYS 10 HE3 LYS 10 -2.472 5.590 3.393 86 HZ1 LYS 10 HZ1 LYS 10 -5.231 6.199 4.302 87 HZ2 LYS 10 HZ2 LYS 10 -3.791 6.797 4.960 88 HZ3 LYS 10 HZ3 LYS 10 -4.268 7.260 3.404 89 H GLY 11 H GLY 11 -4.336 0.719 -1.487 90 HA2 GLY 11 HA2 GLY 11 -5.502 -0.089 -3.372 91 HA3 GLY 11 HA3 GLY 11 -6.647 1.233 -3.201 92 H LEU 12 H LEU 12 -4.802 0.136 -5.420 93 HA LEU 12 HA LEU 12 -2.941 2.165 -6.044 94 HB2 LEU 12 HB2 LEU 12 -4.258 -0.032 -7.575 95 HB3 LEU 12 HB3 LEU 12 -3.329 1.191 -8.440 96 HG LEU 12 HG LEU 12 -2.066 -0.263 -6.156 97 HD11 LEU 12 HD11 LEU 12 -1.328 -2.030 -7.646 98 HD12 LEU 12 HD12 LEU 12 -3.088 -2.010 -7.543 99 HD13 LEU 12 HD13 LEU 12 -2.281 -1.345 -8.963 100 HD21 LEU 12 HD21 LEU 12 -0.483 1.164 -6.857 101 HD22 LEU 12 HD22 LEU 12 -0.245 -0.001 -8.160 102 HD23 LEU 12 HD23 LEU 12 -1.260 1.417 -8.420 103 HN1 NH2 13 HN1 NH2 13 -5.977 1.444 -7.774 104 HN2 NH2 13 HN2 NH2 13 -6.392 3.049 -8.179 Start of MODEL 17 1 H1 ILE 1 H ILE 1 9.527 3.990 5.410 2 HA ILE 1 HA ILE 1 7.576 5.373 4.356 3 HB ILE 1 HB ILE 1 9.892 6.130 4.193 4 HG12 ILE 1 HG12 ILE 1 8.717 6.215 1.419 5 HG13 ILE 1 HG13 ILE 1 7.987 7.087 2.763 6 HG21 ILE 1 HG21 ILE 1 10.432 3.761 3.020 7 HG22 ILE 1 HG22 ILE 1 10.390 4.816 1.608 8 HG23 ILE 1 HG23 ILE 1 11.494 5.166 2.938 9 HD11 ILE 1 HD11 ILE 1 9.651 8.624 2.847 10 HD12 ILE 1 HD12 ILE 1 10.878 7.495 2.275 11 HD13 ILE 1 HD13 ILE 1 9.738 8.208 1.135 12 H PHE 2 H PHE 2 8.927 2.547 2.764 13 HA PHE 2 HA PHE 2 6.984 2.826 0.585 14 HB2 PHE 2 HB2 PHE 2 9.379 2.447 0.003 15 HB3 PHE 2 HB3 PHE 2 9.294 0.889 0.817 16 HD1 PHE 2 HD1 PHE 2 7.279 2.761 -1.713 17 HD2 PHE 2 HD2 PHE 2 9.098 -0.915 -0.571 18 HE1 PHE 2 HE1 PHE 2 6.481 1.722 -3.795 19 HE2 PHE 2 HE2 PHE 2 8.303 -1.958 -2.653 20 HZ PHE 2 HZ PHE 2 6.992 -0.640 -4.268 21 H GLY 3 H GLY 3 5.360 2.267 2.343 22 HA2 GLY 3 HA2 GLY 3 5.294 -0.510 3.160 23 HA3 GLY 3 HA3 GLY 3 4.099 0.720 3.540 24 H THR 4 H THR 4 5.157 -1.629 1.175 25 HA THR 4 HA THR 4 3.307 -1.158 -0.853 26 HB THR 4 HB THR 4 3.533 -3.693 -1.272 27 HG1 THR 4 HG1 THR 4 5.689 -3.472 0.550 28 HG21 THR 4 HG21 THR 4 5.837 -1.760 -1.255 29 HG22 THR 4 HG22 THR 4 5.986 -3.382 -1.929 30 HG23 THR 4 HG23 THR 4 4.820 -2.249 -2.612 31 H ILE 5 H ILE 5 3.018 -3.163 2.057 32 HA ILE 5 HA ILE 5 0.529 -4.302 1.534 33 HB ILE 5 HB ILE 5 1.635 -3.500 4.228 34 HG12 ILE 5 HG12 ILE 5 1.808 -6.191 2.870 35 HG13 ILE 5 HG13 ILE 5 3.089 -4.987 2.775 36 HG21 ILE 5 HG21 ILE 5 0.199 -5.534 4.909 37 HG22 ILE 5 HG22 ILE 5 -0.602 -3.990 4.614 38 HG23 ILE 5 HG23 ILE 5 -0.640 -5.252 3.384 39 HD11 ILE 5 HD11 ILE 5 2.135 -6.536 5.147 40 HD12 ILE 5 HD12 ILE 5 3.765 -6.396 4.487 41 HD13 ILE 5 HD13 ILE 5 3.038 -5.032 5.338 42 H LEU 6 H LEU 6 1.358 -1.184 2.966 43 HA LEU 6 HA LEU 6 -1.325 -0.490 3.643 44 HB2 LEU 6 HB2 LEU 6 1.294 0.914 3.550 45 HB3 LEU 6 HB3 LEU 6 -0.172 1.892 3.584 46 HG LEU 6 HG LEU 6 0.325 -0.231 5.645 47 HD11 LEU 6 HD11 LEU 6 1.318 2.614 5.669 48 HD12 LEU 6 HD12 LEU 6 1.242 1.566 7.086 49 HD13 LEU 6 HD13 LEU 6 2.290 1.144 5.733 50 HD21 LEU 6 HD21 LEU 6 -1.609 0.491 6.457 51 HD22 LEU 6 HD22 LEU 6 -0.980 2.135 6.559 52 HD23 LEU 6 HD23 LEU 6 -1.765 1.581 5.080 53 H GLY 7 H GLY 7 0.873 0.602 1.052 54 HA2 GLY 7 HA2 GLY 7 -0.911 2.266 -0.287 55 HA3 GLY 7 HA3 GLY 7 0.435 1.426 -1.044 56 H PHE 8 H PHE 8 -0.465 -1.227 -0.571 57 HA PHE 8 HA PHE 8 -1.997 -1.688 -2.842 58 HB2 PHE 8 HB2 PHE 8 -0.577 -3.368 -1.619 59 HB3 PHE 8 HB3 PHE 8 -1.870 -3.507 -0.433 60 HD1 PHE 8 HD1 PHE 8 -4.043 -4.468 -1.082 61 HD2 PHE 8 HD2 PHE 8 -0.727 -4.409 -3.749 62 HE1 PHE 8 HE1 PHE 8 -5.143 -6.168 -2.480 63 HE2 PHE 8 HE2 PHE 8 -1.821 -6.108 -5.152 64 HZ PHE 8 HZ PHE 8 -4.031 -6.991 -4.518 65 H LEU 9 H LEU 9 -2.987 -1.281 0.515 66 HA LEU 9 HA LEU 9 -5.719 -1.962 0.086 67 HB2 LEU 9 HB2 LEU 9 -4.468 -0.322 2.285 68 HB3 LEU 9 HB3 LEU 9 -6.092 -1.006 2.304 69 HG LEU 9 HG LEU 9 -3.600 -2.691 2.153 70 HD11 LEU 9 HD11 LEU 9 -3.494 -1.424 4.204 71 HD12 LEU 9 HD12 LEU 9 -5.167 -1.834 4.581 72 HD13 LEU 9 HD13 LEU 9 -3.933 -3.094 4.561 73 HD21 LEU 9 HD21 LEU 9 -5.016 -4.381 1.921 74 HD22 LEU 9 HD22 LEU 9 -5.840 -3.920 3.410 75 HD23 LEU 9 HD23 LEU 9 -6.361 -3.241 1.867 76 H LYS 10 H LYS 10 -4.025 1.144 0.471 77 HA LYS 10 HA LYS 10 -6.247 2.809 0.146 78 HB2 LYS 10 HB2 LYS 10 -3.783 3.341 0.842 79 HB3 LYS 10 HB3 LYS 10 -3.541 3.596 -0.882 80 HG2 LYS 10 HG2 LYS 10 -5.813 4.968 0.466 81 HG3 LYS 10 HG3 LYS 10 -4.175 5.581 0.705 82 HD2 LYS 10 HD2 LYS 10 -3.937 6.191 -1.496 83 HD3 LYS 10 HD3 LYS 10 -5.087 4.981 -2.068 84 HE2 LYS 10 HE2 LYS 10 -5.898 7.376 -0.435 85 HE3 LYS 10 HE3 LYS 10 -5.840 7.394 -2.198 86 HZ1 LYS 10 HZ1 LYS 10 -7.411 5.393 -0.680 87 HZ2 LYS 10 HZ2 LYS 10 -8.059 6.880 -1.162 88 HZ3 LYS 10 HZ3 LYS 10 -7.520 5.775 -2.325 89 H GLY 11 H GLY 11 -4.096 1.333 -2.231 90 HA2 GLY 11 HA2 GLY 11 -6.072 1.959 -4.303 91 HA3 GLY 11 HA3 GLY 11 -4.415 2.481 -4.562 92 H LEU 12 H LEU 12 -6.514 0.207 -5.451 93 HA LEU 12 HA LEU 12 -4.772 -2.105 -5.276 94 HB2 LEU 12 HB2 LEU 12 -6.561 -3.310 -6.357 95 HB3 LEU 12 HB3 LEU 12 -7.197 -2.351 -5.022 96 HG LEU 12 HG LEU 12 -7.681 -0.634 -6.992 97 HD11 LEU 12 HD11 LEU 12 -7.811 -1.460 -9.074 98 HD12 LEU 12 HD12 LEU 12 -6.663 -2.658 -8.475 99 HD13 LEU 12 HD13 LEU 12 -8.386 -3.034 -8.525 100 HD21 LEU 12 HD21 LEU 12 -9.570 -2.928 -6.807 101 HD22 LEU 12 HD22 LEU 12 -9.203 -2.009 -5.346 102 HD23 LEU 12 HD23 LEU 12 -9.888 -1.194 -6.752 103 HN1 NH2 13 HN1 NH2 13 -5.871 0.209 -7.687 104 HN2 NH2 13 HN2 NH2 13 -4.843 -0.262 -8.967 Start of MODEL 18 1 H1 ILE 1 H ILE 1 10.286 5.026 -0.060 2 HA ILE 1 HA ILE 1 10.744 3.559 2.160 3 HB ILE 1 HB ILE 1 10.052 5.479 3.534 4 HG12 ILE 1 HG12 ILE 1 9.367 7.483 1.806 5 HG13 ILE 1 HG13 ILE 1 8.527 6.109 1.095 6 HG21 ILE 1 HG21 ILE 1 12.152 5.353 1.936 7 HG22 ILE 1 HG22 ILE 1 11.351 6.726 1.170 8 HG23 ILE 1 HG23 ILE 1 11.793 6.802 2.876 9 HD11 ILE 1 HD11 ILE 1 8.134 6.153 3.936 10 HD12 ILE 1 HD12 ILE 1 7.690 7.703 3.222 11 HD13 ILE 1 HD13 ILE 1 6.946 6.216 2.634 12 H PHE 2 H PHE 2 7.589 4.414 0.872 13 HA PHE 2 HA PHE 2 6.016 3.641 3.062 14 HB2 PHE 2 HB2 PHE 2 4.159 3.582 1.515 15 HB3 PHE 2 HB3 PHE 2 5.197 4.942 1.100 16 HD1 PHE 2 HD1 PHE 2 4.072 1.601 0.093 17 HD2 PHE 2 HD2 PHE 2 6.400 5.003 -0.968 18 HE1 PHE 2 HE1 PHE 2 4.233 0.767 -2.216 19 HE2 PHE 2 HE2 PHE 2 6.563 4.175 -3.279 20 HZ PHE 2 HZ PHE 2 5.480 2.054 -3.906 21 H GLY 3 H GLY 3 4.528 1.739 3.099 22 HA2 GLY 3 HA2 GLY 3 6.056 -0.676 2.395 23 HA3 GLY 3 HA3 GLY 3 4.863 -0.567 3.681 24 H THR 4 H THR 4 5.334 -2.068 0.926 25 HA THR 4 HA THR 4 3.203 -1.561 -0.767 26 HB THR 4 HB THR 4 4.932 -3.098 -1.437 27 HG1 THR 4 HG1 THR 4 3.089 -3.609 -2.506 28 HG21 THR 4 HG21 THR 4 5.348 -4.039 0.835 29 HG22 THR 4 HG22 THR 4 3.892 -5.015 0.650 30 HG23 THR 4 HG23 THR 4 5.261 -5.260 -0.434 31 H ILE 5 H ILE 5 3.292 -3.408 2.225 32 HA ILE 5 HA ILE 5 0.828 -4.698 2.057 33 HB ILE 5 HB ILE 5 2.141 -3.603 4.548 34 HG12 ILE 5 HG12 ILE 5 3.641 -5.070 3.279 35 HG13 ILE 5 HG13 ILE 5 3.118 -5.848 4.768 36 HG21 ILE 5 HG21 ILE 5 -0.240 -5.267 4.065 37 HG22 ILE 5 HG22 ILE 5 0.852 -5.842 5.324 38 HG23 ILE 5 HG23 ILE 5 0.162 -4.223 5.429 39 HD11 ILE 5 HD11 ILE 5 2.053 -6.383 2.007 40 HD12 ILE 5 HD12 ILE 5 3.115 -7.428 2.950 41 HD13 ILE 5 HD13 ILE 5 1.463 -7.131 3.490 42 H LEU 6 H LEU 6 1.626 -1.429 3.128 43 HA LEU 6 HA LEU 6 -1.092 -0.834 3.884 44 HB2 LEU 6 HB2 LEU 6 1.297 0.972 3.545 45 HB3 LEU 6 HB3 LEU 6 -0.248 1.445 4.246 46 HG LEU 6 HG LEU 6 0.271 -0.483 5.941 47 HD11 LEU 6 HD11 LEU 6 2.702 -0.324 4.398 48 HD12 LEU 6 HD12 LEU 6 3.002 0.026 6.101 49 HD13 LEU 6 HD13 LEU 6 2.226 -1.488 5.635 50 HD21 LEU 6 HD21 LEU 6 0.896 1.127 7.447 51 HD22 LEU 6 HD22 LEU 6 1.984 1.925 6.311 52 HD23 LEU 6 HD23 LEU 6 0.240 2.136 6.157 53 H GLY 7 H GLY 7 1.119 0.296 1.322 54 HA2 GLY 7 HA2 GLY 7 -0.626 1.954 -0.045 55 HA3 GLY 7 HA3 GLY 7 0.688 1.063 -0.800 56 H PHE 8 H PHE 8 -0.312 -1.555 -0.249 57 HA PHE 8 HA PHE 8 -1.818 -2.051 -2.514 58 HB2 PHE 8 HB2 PHE 8 -0.618 -3.826 -1.381 59 HB3 PHE 8 HB3 PHE 8 -1.642 -3.659 0.041 60 HD1 PHE 8 HD1 PHE 8 -3.104 -5.395 0.311 61 HD2 PHE 8 HD2 PHE 8 -2.216 -4.052 -3.629 62 HE1 PHE 8 HE1 PHE 8 -4.649 -7.075 -0.606 63 HE2 PHE 8 HE2 PHE 8 -3.761 -5.729 -4.553 64 HZ PHE 8 HZ PHE 8 -4.979 -7.244 -3.042 65 H LEU 9 H LEU 9 -2.946 -1.697 0.837 66 HA LEU 9 HA LEU 9 -5.675 -2.123 0.299 67 HB2 LEU 9 HB2 LEU 9 -4.095 -0.956 2.520 68 HB3 LEU 9 HB3 LEU 9 -5.817 -0.578 2.464 69 HG LEU 9 HG LEU 9 -5.400 -2.452 3.944 70 HD11 LEU 9 HD11 LEU 9 -7.365 -3.256 3.314 71 HD12 LEU 9 HD12 LEU 9 -7.187 -2.443 1.758 72 HD13 LEU 9 HD13 LEU 9 -6.612 -4.098 1.959 73 HD21 LEU 9 HD21 LEU 9 -4.580 -4.601 2.986 74 HD22 LEU 9 HD22 LEU 9 -4.147 -3.727 1.516 75 HD23 LEU 9 HD23 LEU 9 -3.361 -3.328 3.043 76 H LYS 10 H LYS 10 -3.811 0.886 0.641 77 HA LYS 10 HA LYS 10 -5.905 2.680 0.211 78 HB2 LYS 10 HB2 LYS 10 -3.482 3.133 0.957 79 HB3 LYS 10 HB3 LYS 10 -3.098 3.173 -0.759 80 HG2 LYS 10 HG2 LYS 10 -5.330 4.866 0.241 81 HG3 LYS 10 HG3 LYS 10 -3.668 5.366 0.565 82 HD2 LYS 10 HD2 LYS 10 -3.400 4.829 -2.019 83 HD3 LYS 10 HD3 LYS 10 -5.132 5.169 -2.016 84 HE2 LYS 10 HE2 LYS 10 -4.716 7.344 -1.003 85 HE3 LYS 10 HE3 LYS 10 -2.988 7.001 -0.943 86 HZ1 LYS 10 HZ1 LYS 10 -2.742 7.532 -3.082 87 HZ2 LYS 10 HZ2 LYS 10 -4.135 6.702 -3.565 88 HZ3 LYS 10 HZ3 LYS 10 -4.256 8.277 -2.959 89 H GLY 11 H GLY 11 -3.898 0.903 -2.068 90 HA2 GLY 11 HA2 GLY 11 -5.186 2.248 -4.327 91 HA3 GLY 11 HA3 GLY 11 -3.815 1.150 -4.418 92 H LEU 12 H LEU 12 -4.621 -0.241 -5.933 93 HA LEU 12 HA LEU 12 -6.662 -2.081 -4.994 94 HB2 LEU 12 HB2 LEU 12 -7.859 -1.969 -7.183 95 HB3 LEU 12 HB3 LEU 12 -8.051 -0.552 -6.153 96 HG LEU 12 HG LEU 12 -6.057 0.353 -7.642 97 HD11 LEU 12 HD11 LEU 12 -6.978 -0.571 -10.038 98 HD12 LEU 12 HD12 LEU 12 -5.507 -1.118 -9.234 99 HD13 LEU 12 HD13 LEU 12 -7.004 -2.030 -9.047 100 HD21 LEU 12 HD21 LEU 12 -8.476 0.531 -9.218 101 HD22 LEU 12 HD22 LEU 12 -8.800 0.749 -7.498 102 HD23 LEU 12 HD23 LEU 12 -7.625 1.781 -8.312 103 HN1 NH2 13 HN1 NH2 13 -6.923 -3.921 -6.646 104 HN2 NH2 13 HN2 NH2 13 -5.512 -4.517 -7.401 Start of MODEL 19 1 H1 ILE 1 H ILE 1 8.813 7.135 1.372 2 HA ILE 1 HA ILE 1 10.057 5.063 -0.169 3 HB ILE 1 HB ILE 1 9.879 3.292 1.532 4 HG12 ILE 1 HG12 ILE 1 9.480 5.556 3.497 5 HG13 ILE 1 HG13 ILE 1 8.209 4.462 2.964 6 HG21 ILE 1 HG21 ILE 1 11.917 3.788 2.684 7 HG22 ILE 1 HG22 ILE 1 12.013 4.498 1.072 8 HG23 ILE 1 HG23 ILE 1 11.676 5.521 2.468 9 HD11 ILE 1 HD11 ILE 1 8.987 3.736 5.092 10 HD12 ILE 1 HD12 ILE 1 9.545 2.578 3.885 11 HD13 ILE 1 HD13 ILE 1 10.665 3.767 4.551 12 H PHE 2 H PHE 2 8.564 3.033 -0.132 13 HA PHE 2 HA PHE 2 5.766 3.957 -0.065 14 HB2 PHE 2 HB2 PHE 2 5.382 2.345 -1.961 15 HB3 PHE 2 HB3 PHE 2 6.394 3.728 -2.363 16 HD1 PHE 2 HD1 PHE 2 6.299 0.115 -1.845 17 HD2 PHE 2 HD2 PHE 2 8.754 3.455 -2.813 18 HE1 PHE 2 HE1 PHE 2 8.055 -1.411 -2.646 19 HE2 PHE 2 HE2 PHE 2 10.513 1.934 -3.617 20 HZ PHE 2 HZ PHE 2 10.165 -0.503 -3.533 21 H GLY 3 H GLY 3 4.229 2.593 0.770 22 HA2 GLY 3 HA2 GLY 3 5.281 0.170 2.086 23 HA3 GLY 3 HA3 GLY 3 3.955 1.143 2.706 24 H THR 4 H THR 4 4.810 -1.557 0.871 25 HA THR 4 HA THR 4 2.604 -1.753 -0.877 26 HB THR 4 HB THR 4 3.130 -4.260 -0.789 27 HG1 THR 4 HG1 THR 4 5.481 -3.404 0.546 28 HG21 THR 4 HG21 THR 4 5.406 -3.863 -1.911 29 HG22 THR 4 HG22 THR 4 3.997 -3.071 -2.615 30 HG23 THR 4 HG23 THR 4 5.111 -2.152 -1.604 31 H ILE 5 H ILE 5 3.115 -2.827 2.446 32 HA ILE 5 HA ILE 5 0.866 -4.421 2.782 33 HB ILE 5 HB ILE 5 0.977 -3.681 5.213 34 HG12 ILE 5 HG12 ILE 5 3.481 -2.274 4.270 35 HG13 ILE 5 HG13 ILE 5 1.982 -1.439 4.661 36 HG21 ILE 5 HG21 ILE 5 2.530 -5.274 5.574 37 HG22 ILE 5 HG22 ILE 5 2.409 -5.498 3.829 38 HG23 ILE 5 HG23 ILE 5 3.710 -4.517 4.504 39 HD11 ILE 5 HD11 ILE 5 2.209 -2.646 6.942 40 HD12 ILE 5 HD12 ILE 5 3.897 -2.835 6.468 41 HD13 ILE 5 HD13 ILE 5 3.193 -1.223 6.602 42 H LEU 6 H LEU 6 1.180 -0.928 2.803 43 HA LEU 6 HA LEU 6 -1.550 -0.531 3.685 44 HB2 LEU 6 HB2 LEU 6 0.414 0.974 4.249 45 HB3 LEU 6 HB3 LEU 6 0.324 1.548 2.586 46 HG LEU 6 HG LEU 6 -2.097 1.699 4.333 47 HD11 LEU 6 HD11 LEU 6 0.297 3.512 4.425 48 HD12 LEU 6 HD12 LEU 6 -1.315 4.040 4.904 49 HD13 LEU 6 HD13 LEU 6 -0.530 2.716 5.763 50 HD21 LEU 6 HD21 LEU 6 -2.856 2.603 2.447 51 HD22 LEU 6 HD22 LEU 6 -1.799 3.976 2.771 52 HD23 LEU 6 HD23 LEU 6 -1.240 2.657 1.742 53 H GLY 7 H GLY 7 0.334 -0.163 0.707 54 HA2 GLY 7 HA2 GLY 7 -1.705 0.947 -0.881 55 HA3 GLY 7 HA3 GLY 7 -0.314 0.057 -1.484 56 H PHE 8 H PHE 8 -0.871 -2.414 -0.190 57 HA PHE 8 HA PHE 8 -2.441 -3.683 -2.090 58 HB2 PHE 8 HB2 PHE 8 -0.853 -4.881 -0.664 59 HB3 PHE 8 HB3 PHE 8 -1.862 -4.568 0.744 60 HD1 PHE 8 HD1 PHE 8 -3.674 -5.967 1.275 61 HD2 PHE 8 HD2 PHE 8 -1.730 -6.347 -2.492 62 HE1 PHE 8 HE1 PHE 8 -4.907 -8.054 0.853 63 HE2 PHE 8 HE2 PHE 8 -2.961 -8.434 -2.920 64 HZ PHE 8 HZ PHE 8 -4.551 -9.291 -1.246 65 H LEU 9 H LEU 9 -3.346 -2.297 1.011 66 HA LEU 9 HA LEU 9 -5.965 -3.355 1.120 67 HB2 LEU 9 HB2 LEU 9 -4.518 -2.190 2.940 68 HB3 LEU 9 HB3 LEU 9 -5.239 -0.710 2.310 69 HG LEU 9 HG LEU 9 -7.471 -1.584 2.853 70 HD11 LEU 9 HD11 LEU 9 -7.129 -3.621 4.611 71 HD12 LEU 9 HD12 LEU 9 -7.605 -3.822 2.924 72 HD13 LEU 9 HD13 LEU 9 -5.916 -4.012 3.393 73 HD21 LEU 9 HD21 LEU 9 -6.831 -0.256 4.580 74 HD22 LEU 9 HD22 LEU 9 -6.915 -1.790 5.448 75 HD23 LEU 9 HD23 LEU 9 -5.358 -1.175 4.890 76 H LYS 10 H LYS 10 -4.696 -0.249 -0.041 77 HA LYS 10 HA LYS 10 -7.167 0.879 -0.761 78 HB2 LYS 10 HB2 LYS 10 -4.316 1.394 -1.452 79 HB3 LYS 10 HB3 LYS 10 -5.549 2.124 -2.472 80 HG2 LYS 10 HG2 LYS 10 -6.471 3.323 -0.636 81 HG3 LYS 10 HG3 LYS 10 -5.474 2.436 0.519 82 HD2 LYS 10 HD2 LYS 10 -3.478 3.467 -0.317 83 HD3 LYS 10 HD3 LYS 10 -4.362 4.209 -1.653 84 HE2 LYS 10 HE2 LYS 10 -3.965 5.875 0.030 85 HE3 LYS 10 HE3 LYS 10 -5.685 5.493 0.010 86 HZ1 LYS 10 HZ1 LYS 10 -5.163 5.506 2.248 87 HZ2 LYS 10 HZ2 LYS 10 -5.075 3.858 1.873 88 HZ3 LYS 10 HZ3 LYS 10 -3.657 4.769 2.023 89 H GLY 11 H GLY 11 -4.915 -1.186 -2.528 90 HA2 GLY 11 HA2 GLY 11 -5.753 -2.752 -4.150 91 HA3 GLY 11 HA3 GLY 11 -7.025 -1.604 -4.540 92 H LEU 12 H LEU 12 -5.644 0.715 -4.942 93 HA LEU 12 HA LEU 12 -4.354 0.150 -7.476 94 HB2 LEU 12 HB2 LEU 12 -5.376 2.606 -6.116 95 HB3 LEU 12 HB3 LEU 12 -4.257 2.755 -7.469 96 HG LEU 12 HG LEU 12 -6.916 1.338 -7.605 97 HD11 LEU 12 HD11 LEU 12 -7.883 3.243 -8.485 98 HD12 LEU 12 HD12 LEU 12 -6.877 3.897 -7.194 99 HD13 LEU 12 HD13 LEU 12 -6.329 3.984 -8.867 100 HD21 LEU 12 HD21 LEU 12 -4.675 1.779 -9.485 101 HD22 LEU 12 HD22 LEU 12 -5.825 0.447 -9.379 102 HD23 LEU 12 HD23 LEU 12 -6.306 1.969 -10.129 103 HN1 NH2 13 HN1 NH2 13 -3.514 2.516 -4.950 104 HN2 NH2 13 HN2 NH2 13 -1.829 2.242 -4.932 Start of MODEL 20 1 H1 ILE 1 H ILE 1 6.366 5.969 -3.036 2 HA ILE 1 HA ILE 1 5.865 5.770 -0.196 3 HB ILE 1 HB ILE 1 4.223 4.705 -2.497 4 HG12 ILE 1 HG12 ILE 1 3.968 7.290 -0.945 5 HG13 ILE 1 HG13 ILE 1 4.500 7.143 -2.615 6 HG21 ILE 1 HG21 ILE 1 2.401 4.617 -0.882 7 HG22 ILE 1 HG22 ILE 1 3.754 3.615 -0.357 8 HG23 ILE 1 HG23 ILE 1 3.484 5.192 0.386 9 HD11 ILE 1 HD11 ILE 1 1.830 7.254 -1.527 10 HD12 ILE 1 HD12 ILE 1 2.386 7.467 -3.187 11 HD13 ILE 1 HD13 ILE 1 2.057 5.848 -2.568 12 H PHE 2 H PHE 2 6.962 4.242 0.868 13 HA PHE 2 HA PHE 2 7.359 1.623 -0.381 14 HB2 PHE 2 HB2 PHE 2 9.336 2.744 0.581 15 HB3 PHE 2 HB3 PHE 2 8.551 2.758 2.157 16 HD1 PHE 2 HD1 PHE 2 10.100 0.639 -0.410 17 HD2 PHE 2 HD2 PHE 2 8.455 0.796 3.512 18 HE1 PHE 2 HE1 PHE 2 11.041 -1.584 0.069 19 HE2 PHE 2 HE2 PHE 2 9.394 -1.427 3.998 20 HZ PHE 2 HZ PHE 2 10.690 -2.619 2.276 21 H GLY 3 H GLY 3 6.235 -0.119 0.216 22 HA2 GLY 3 HA2 GLY 3 5.460 -1.248 2.411 23 HA3 GLY 3 HA3 GLY 3 4.409 0.158 2.506 24 H THR 4 H THR 4 5.040 -2.856 0.888 25 HA THR 4 HA THR 4 3.160 -2.718 -1.173 26 HB THR 4 HB THR 4 3.083 -5.262 -0.931 27 HG1 THR 4 HG1 THR 4 5.032 -5.898 0.433 28 HG21 THR 4 HG21 THR 4 5.403 -3.552 -1.570 29 HG22 THR 4 HG22 THR 4 5.747 -5.268 -1.354 30 HG23 THR 4 HG23 THR 4 4.570 -4.749 -2.561 31 H ILE 5 H ILE 5 2.791 -4.167 2.066 32 HA ILE 5 HA ILE 5 0.108 -4.857 1.869 33 HB ILE 5 HB ILE 5 0.080 -4.583 4.399 34 HG12 ILE 5 HG12 ILE 5 3.030 -4.066 3.990 35 HG13 ILE 5 HG13 ILE 5 1.866 -2.810 4.394 36 HG21 ILE 5 HG21 ILE 5 2.315 -6.295 4.232 37 HG22 ILE 5 HG22 ILE 5 0.607 -6.733 4.255 38 HG23 ILE 5 HG23 ILE 5 1.426 -6.455 2.717 39 HD11 ILE 5 HD11 ILE 5 1.700 -5.059 6.204 40 HD12 ILE 5 HD12 ILE 5 3.314 -4.350 6.164 41 HD13 ILE 5 HD13 ILE 5 1.918 -3.342 6.545 42 H LEU 6 H LEU 6 1.594 -1.768 2.607 43 HA LEU 6 HA LEU 6 -0.744 -0.462 3.531 44 HB2 LEU 6 HB2 LEU 6 1.935 0.396 2.563 45 HB3 LEU 6 HB3 LEU 6 0.657 1.603 2.665 46 HG LEU 6 HG LEU 6 1.345 -0.101 5.032 47 HD11 LEU 6 HD11 LEU 6 2.664 2.517 4.334 48 HD12 LEU 6 HD12 LEU 6 2.941 1.534 5.772 49 HD13 LEU 6 HD13 LEU 6 3.431 0.937 4.186 50 HD21 LEU 6 HD21 LEU 6 -0.336 2.209 4.445 51 HD22 LEU 6 HD22 LEU 6 -0.406 1.065 5.785 52 HD23 LEU 6 HD23 LEU 6 0.702 2.437 5.852 53 H GLY 7 H GLY 7 0.894 -0.414 0.363 54 HA2 GLY 7 HA2 GLY 7 -1.070 1.179 -0.912 55 HA3 GLY 7 HA3 GLY 7 0.133 0.185 -1.719 56 H PHE 8 H PHE 8 -0.679 -2.310 -0.576 57 HA PHE 8 HA PHE 8 -2.679 -3.044 -2.434 58 HB2 PHE 8 HB2 PHE 8 -1.208 -4.413 -0.234 59 HB3 PHE 8 HB3 PHE 8 -2.683 -5.169 -0.827 60 HD1 PHE 8 HD1 PHE 8 -2.134 -6.955 -2.160 61 HD2 PHE 8 HD2 PHE 8 0.077 -3.338 -2.542 62 HE1 PHE 8 HE1 PHE 8 -0.879 -7.925 -4.041 63 HE2 PHE 8 HE2 PHE 8 1.335 -4.301 -4.424 64 HZ PHE 8 HZ PHE 8 0.859 -6.597 -5.175 65 H LEU 9 H LEU 9 -2.748 -2.462 1.053 66 HA LEU 9 HA LEU 9 -5.306 -3.311 1.652 67 HB2 LEU 9 HB2 LEU 9 -3.822 -2.625 3.389 68 HB3 LEU 9 HB3 LEU 9 -3.722 -0.992 2.736 69 HG LEU 9 HG LEU 9 -6.107 -0.660 3.331 70 HD11 LEU 9 HD11 LEU 9 -6.519 -2.614 5.265 71 HD12 LEU 9 HD12 LEU 9 -7.349 -2.460 3.717 72 HD13 LEU 9 HD13 LEU 9 -5.925 -3.492 3.855 73 HD21 LEU 9 HD21 LEU 9 -4.315 -1.478 5.615 74 HD22 LEU 9 HD22 LEU 9 -4.317 0.093 4.815 75 HD23 LEU 9 HD23 LEU 9 -5.731 -0.433 5.729 76 H LYS 10 H LYS 10 -4.323 -0.026 0.673 77 HA LYS 10 HA LYS 10 -6.989 0.942 0.479 78 HB2 LYS 10 HB2 LYS 10 -5.985 2.902 -0.596 79 HB3 LYS 10 HB3 LYS 10 -5.094 2.445 0.851 80 HG2 LYS 10 HG2 LYS 10 -3.434 1.302 -0.581 81 HG3 LYS 10 HG3 LYS 10 -4.301 1.893 -2.001 82 HD2 LYS 10 HD2 LYS 10 -3.993 4.217 -0.775 83 HD3 LYS 10 HD3 LYS 10 -2.631 3.375 -0.033 84 HE2 LYS 10 HE2 LYS 10 -1.484 3.216 -1.999 85 HE3 LYS 10 HE3 LYS 10 -2.951 3.159 -2.976 86 HZ1 LYS 10 HZ1 LYS 10 -1.429 5.268 -2.954 87 HZ2 LYS 10 HZ2 LYS 10 -3.113 5.419 -3.033 88 HZ3 LYS 10 HZ3 LYS 10 -2.311 5.645 -1.559 89 H GLY 11 H GLY 11 -4.699 -0.419 -1.833 90 HA2 GLY 11 HA2 GLY 11 -4.992 -1.209 -3.967 91 HA3 GLY 11 HA3 GLY 11 -6.696 -1.361 -3.567 92 H LEU 12 H LEU 12 -4.272 1.071 -4.494 93 HA LEU 12 HA LEU 12 -6.254 2.244 -6.303 94 HB2 LEU 12 HB2 LEU 12 -4.663 3.724 -4.222 95 HB3 LEU 12 HB3 LEU 12 -5.400 4.523 -5.609 96 HG LEU 12 HG LEU 12 -6.944 2.968 -3.537 97 HD11 LEU 12 HD11 LEU 12 -6.563 4.698 -2.186 98 HD12 LEU 12 HD12 LEU 12 -5.851 5.662 -3.481 99 HD13 LEU 12 HD13 LEU 12 -7.601 5.626 -3.269 100 HD21 LEU 12 HD21 LEU 12 -7.661 4.574 -5.950 101 HD22 LEU 12 HD22 LEU 12 -8.298 3.024 -5.400 102 HD23 LEU 12 HD23 LEU 12 -8.768 4.513 -4.579 103 HN1 NH2 13 HN1 NH2 13 -5.352 3.438 -8.052 104 HN2 NH2 13 HN2 NH2 13 -3.738 3.241 -8.573
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