NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
5652 | 1hrl | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLU 0 HT1 GLU 0 24.549 -6.847 -2.570 2 2H GLU 0 HT2 GLU 0 24.212 -6.385 -0.971 3 3H GLU 0 HT3 GLU 0 24.999 -5.306 -2.021 4 HA GLU 0 HA GLU 0 23.085 -4.504 -2.748 5 1HB GLU 0 HB2 GLU 0 23.057 -6.366 -4.355 6 2HB GLU 0 HB1 GLU 0 22.286 -7.403 -3.154 7 1HG GLU 0 HG2 GLU 0 20.520 -6.582 -4.544 8 2HG GLU 0 HG1 GLU 0 20.420 -5.665 -3.040 9 H ASN 1 HN ASN 1 20.965 -3.994 -1.952 10 HA ASN 1 HA ASN 1 20.522 -4.094 0.771 11 1HB ASN 1 HB2 ASN 1 18.295 -4.303 -1.273 12 2HB ASN 1 HB1 ASN 1 18.208 -3.566 0.328 13 1HD2 ASN 1 HD21 ASN 1 17.942 -2.406 -2.543 14 2HD2 ASN 1 HD22 ASN 1 18.989 -1.071 -2.530 15 H PHE 2 HN PHE 2 19.371 -5.483 2.195 16 HA PHE 2 HA PHE 2 18.967 -8.249 1.131 17 1HB PHE 2 HB2 PHE 2 19.158 -8.597 3.835 18 2HB PHE 2 HB1 PHE 2 20.517 -8.745 2.724 19 HD1 PHE 2 HD1 PHE 2 22.400 -7.383 3.008 20 HD2 PHE 2 HD2 PHE 2 18.654 -6.184 4.735 21 HE1 PHE 2 HE1 PHE 2 23.526 -5.479 4.129 22 HE2 PHE 2 HE2 PHE 2 19.781 -4.279 5.855 23 HZ PHE 2 HZ PHE 2 22.217 -3.928 5.552 24 H ALA 3 HN ALA 3 17.448 -9.441 2.950 25 HA ALA 3 HA ALA 3 15.245 -9.631 3.735 26 1HB ALA 3 HB1 ALA 3 16.060 -6.856 4.411 27 2HB ALA 3 HB2 ALA 3 15.395 -8.118 5.449 28 3HB ALA 3 HB3 ALA 3 14.325 -7.173 4.412 29 H GLY 4 HN GLY 4 15.421 -9.642 1.022 30 1HA GLY 4 HA2 GLY 4 13.588 -9.572 -0.577 31 2HA GLY 4 HA1 GLY 4 12.979 -8.130 0.237 32 H GLY 5 HN GLY 5 15.629 -6.867 0.400 33 1HA GLY 5 HA2 GLY 5 17.325 -6.055 -1.186 34 2HA GLY 5 HA1 GLY 5 16.182 -6.370 -2.492 35 H CYS 6 HN CYS 6 15.960 -4.303 -3.322 36 HA CYS 6 HA CYS 6 15.577 -1.992 -1.573 37 1HB CYS 6 HB2 CYS 6 16.693 -1.526 -3.600 38 2HB CYS 6 HB1 CYS 6 15.521 -2.420 -4.560 39 H ALA 7 HN ALA 7 13.620 -4.319 -3.183 40 HA ALA 7 HA ALA 7 11.167 -2.947 -3.485 41 1HB ALA 7 HB1 ALA 7 12.024 -5.582 -3.743 42 2HB ALA 7 HB2 ALA 7 10.385 -4.998 -4.032 43 3HB ALA 7 HB3 ALA 7 10.819 -5.662 -2.457 44 H THR 8 HN THR 8 9.379 -4.452 -1.780 45 HA THR 8 HA THR 8 8.934 -2.764 0.354 46 HB THR 8 HB THR 8 8.526 -5.761 0.213 47 HG1 THR 8 HG1 THR 8 6.405 -5.091 -0.234 48 1HG2 THR 8 HG21 THR 8 7.830 -5.762 2.352 49 2HG2 THR 8 HG22 THR 8 6.744 -4.411 2.028 50 3HG2 THR 8 HG23 THR 8 8.413 -4.105 2.509 51 H GLY 9 HN GLY 9 10.329 -2.101 1.908 52 1HA GLY 9 HA2 GLY 9 11.366 -3.130 4.061 53 2HA GLY 9 HA1 GLY 9 12.352 -4.047 2.922 54 H TYR 10 HN TYR 10 12.651 -1.884 1.008 55 HA TYR 10 HA TYR 10 14.449 -0.096 2.586 56 1HB TYR 10 HB2 TYR 10 14.741 -1.478 -0.046 57 2HB TYR 10 HB1 TYR 10 15.516 0.085 0.162 58 HD1 TYR 10 HD1 TYR 10 17.796 -0.255 0.530 59 HD2 TYR 10 HD2 TYR 10 14.947 -2.764 2.532 60 HE1 TYR 10 HE1 TYR 10 19.636 -1.322 1.805 61 HE2 TYR 10 HE2 TYR 10 16.785 -3.833 3.808 62 HH TYR 10 HH TYR 10 19.296 -2.937 4.508 63 H LEU 11 HN LEU 11 14.572 2.106 1.879 64 HA LEU 11 HA LEU 11 12.105 3.042 0.525 65 1HB LEU 11 HB2 LEU 11 14.259 4.679 1.898 66 2HB LEU 11 HB1 LEU 11 12.654 5.230 1.417 67 HG LEU 11 HG LEU 11 13.138 2.992 3.401 68 1HD1 LEU 11 HD11 LEU 11 12.473 5.915 3.876 69 2HD1 LEU 11 HD12 LEU 11 13.989 5.118 4.296 70 3HD1 LEU 11 HD13 LEU 11 12.496 4.664 5.118 71 1HD2 LEU 11 HD21 LEU 11 10.963 2.982 2.188 72 2HD2 LEU 11 HD22 LEU 11 10.669 4.631 2.738 73 3HD2 LEU 11 HD23 LEU 11 10.759 3.314 3.908 74 H ARG 12 HN ARG 12 12.465 4.925 -1.062 75 HA ARG 12 HA ARG 12 14.553 4.077 -2.950 76 1HB ARG 12 HB2 ARG 12 13.473 5.582 -4.527 77 2HB ARG 12 HB1 ARG 12 12.232 4.631 -3.711 78 1HG ARG 12 HG2 ARG 12 12.543 6.820 -2.039 79 2HG ARG 12 HG1 ARG 12 12.695 7.520 -3.651 80 1HD ARG 12 HD2 ARG 12 10.384 7.551 -3.511 81 2HD ARG 12 HD1 ARG 12 10.572 5.898 -4.097 82 HE ARG 12 HE ARG 12 10.720 5.834 -1.261 83 1HH1 ARG 12 HH21 ARG 12 8.762 4.725 -3.570 84 2HH1 ARG 12 HH22 ARG 12 7.252 5.067 -2.793 85 1HH2 ARG 12 HH11 ARG 12 8.666 7.075 -0.344 86 2HH2 ARG 12 HH12 ARG 12 7.198 6.398 -0.965 87 H THR 13 HN THR 13 16.551 4.907 -2.750 88 HA THR 13 HA THR 13 16.950 7.520 -1.439 89 HB THR 13 HB THR 13 19.207 6.912 -1.229 90 HG1 THR 13 HG1 THR 13 19.672 4.867 -2.715 91 1HG2 THR 13 HG21 THR 13 17.311 5.124 -0.426 92 2HG2 THR 13 HG22 THR 13 19.027 4.977 -0.045 93 3HG2 THR 13 HG23 THR 13 18.347 4.091 -1.410 94 H ALA 14 HN ALA 14 17.486 9.367 -2.536 95 HA ALA 14 HA ALA 14 17.068 9.505 -5.363 96 1HB ALA 14 HB1 ALA 14 16.654 11.397 -3.796 97 2HB ALA 14 HB2 ALA 14 17.671 11.857 -5.160 98 3HB ALA 14 HB3 ALA 14 18.397 11.556 -3.581 99 H ASP 15 HN ASP 15 19.650 8.276 -3.810 100 HA ASP 15 HA ASP 15 21.685 9.308 -5.681 101 1HB ASP 15 HB2 ASP 15 23.143 7.609 -4.380 102 2HB ASP 15 HB1 ASP 15 22.567 9.022 -3.495 103 H GLY 16 HN GLY 16 19.245 7.462 -6.215 104 1HA GLY 16 HA2 GLY 16 18.788 5.838 -7.807 105 2HA GLY 16 HA1 GLY 16 20.492 5.887 -8.225 106 H ARG 17 HN ARG 17 18.808 5.049 -5.188 107 HA ARG 17 HA ARG 17 19.617 2.235 -5.436 108 1HB ARG 17 HB2 ARG 17 21.377 4.121 -4.175 109 2HB ARG 17 HB1 ARG 17 20.735 3.041 -2.939 110 1HG ARG 17 HG2 ARG 17 21.424 1.569 -5.345 111 2HG ARG 17 HG1 ARG 17 22.812 2.475 -4.739 112 1HD ARG 17 HD2 ARG 17 21.423 1.269 -2.505 113 2HD ARG 17 HD1 ARG 17 21.771 0.028 -3.708 114 HE ARG 17 HE ARG 17 23.735 1.411 -2.071 115 1HH1 ARG 17 HH11 ARG 17 23.523 -1.375 -3.617 116 2HH1 ARG 17 HH12 ARG 17 24.980 -1.264 -4.548 117 1HH2 ARG 17 HH21 ARG 17 25.445 2.112 -3.910 118 2HH2 ARG 17 HH22 ARG 17 26.068 0.710 -4.714 119 H CYS 18 HN CYS 18 19.519 1.693 -2.621 120 HA CYS 18 HA CYS 18 16.844 2.709 -1.820 121 1HB CYS 18 HB2 CYS 18 17.317 0.112 -2.893 122 2HB CYS 18 HB1 CYS 18 17.003 -0.078 -1.168 123 H LYS 19 HN LYS 19 16.821 3.187 0.324 124 HA LYS 19 HA LYS 19 19.158 2.343 1.940 125 1HB LYS 19 HB2 LYS 19 18.808 4.267 3.197 126 2HB LYS 19 HB1 LYS 19 18.224 4.788 1.633 127 1HG LYS 19 HG2 LYS 19 16.062 4.935 2.337 128 2HG LYS 19 HG1 LYS 19 16.180 3.523 3.378 129 1HD LYS 19 HD2 LYS 19 16.101 5.108 5.026 130 2HD LYS 19 HD1 LYS 19 17.836 5.172 4.714 131 1HE LYS 19 HE2 LYS 19 16.877 6.876 2.793 132 2HE LYS 19 HE1 LYS 19 15.747 7.165 4.116 133 1HZ LYS 19 HZ1 LYS 19 18.251 7.023 5.264 134 2HZ LYS 19 HZ2 LYS 19 17.301 8.414 5.042 135 3HZ LYS 19 HZ3 LYS 19 18.450 7.971 3.872 136 HA PRO 20 HA PRO 20 16.714 -0.242 4.533 137 1HB PRO 20 HB2 PRO 20 17.502 0.453 7.073 138 2HB PRO 20 HB1 PRO 20 18.523 -0.462 5.950 139 1HG PRO 20 HG2 PRO 20 18.750 2.382 6.793 140 2HG PRO 20 HG1 PRO 20 20.002 1.293 6.176 141 1HD PRO 20 HD2 PRO 20 18.659 3.326 4.712 142 2HD PRO 20 HD1 PRO 20 19.728 2.076 4.039 143 H THR 21 HN THR 21 14.637 -0.257 5.455 144 HA THR 21 HA THR 21 13.340 2.356 5.825 145 HB THR 21 HB THR 21 12.229 -0.455 6.076 146 HG1 THR 21 HG1 THR 21 12.119 1.460 3.986 147 1HG2 THR 21 HG21 THR 21 11.130 2.210 6.593 148 2HG2 THR 21 HG22 THR 21 10.498 0.627 7.045 149 3HG2 THR 21 HG23 THR 21 10.174 1.280 5.439 150 H PHE 22 HN PHE 22 15.391 1.467 7.804 151 HA PHE 22 HA PHE 22 15.638 1.208 10.137 152 1HB PHE 22 HB2 PHE 22 13.217 2.985 10.342 153 2HB PHE 22 HB1 PHE 22 14.701 3.019 11.297 154 HD1 PHE 22 HD1 PHE 22 13.034 4.954 9.058 155 HD2 PHE 22 HD2 PHE 22 16.874 3.067 9.436 156 HE1 PHE 22 HE1 PHE 22 14.006 6.621 7.499 157 HE2 PHE 22 HE2 PHE 22 17.846 4.734 7.878 158 HZ PHE 22 HZ PHE 22 16.413 6.511 6.909 Start of MODEL 2 1 1H GLU 0 HT1 GLU 0 24.297 -6.016 -1.492 2 2H GLU 0 HT2 GLU 0 25.538 -5.225 -2.341 3 3H GLU 0 HT3 GLU 0 24.348 -6.096 -3.185 4 HA GLU 0 HA GLU 0 24.293 -3.402 -2.210 5 1HB GLU 0 HB2 GLU 0 23.881 -4.426 -4.577 6 2HB GLU 0 HB1 GLU 0 22.256 -4.741 -3.969 7 1HG GLU 0 HG2 GLU 0 22.453 -2.536 -5.149 8 2HG GLU 0 HG1 GLU 0 21.928 -2.372 -3.471 9 H ASN 1 HN ASN 1 21.211 -3.765 -2.756 10 HA ASN 1 HA ASN 1 20.443 -3.556 0.001 11 1HB ASN 1 HB2 ASN 1 18.115 -3.593 -0.968 12 2HB ASN 1 HB1 ASN 1 19.174 -2.383 -1.694 13 1HD2 ASN 1 HD21 ASN 1 17.187 -2.958 -3.374 14 2HD2 ASN 1 HD22 ASN 1 17.636 -4.063 -4.581 15 H PHE 2 HN PHE 2 19.122 -5.055 1.196 16 HA PHE 2 HA PHE 2 19.138 -7.847 0.128 17 1HB PHE 2 HB2 PHE 2 19.338 -8.188 2.858 18 2HB PHE 2 HB1 PHE 2 20.687 -8.299 1.729 19 HD1 PHE 2 HD1 PHE 2 21.855 -6.035 1.104 20 HD2 PHE 2 HD2 PHE 2 19.411 -6.611 4.589 21 HE1 PHE 2 HE1 PHE 2 22.914 -4.063 2.171 22 HE2 PHE 2 HE2 PHE 2 20.471 -4.638 5.657 23 HZ PHE 2 HZ PHE 2 22.222 -3.365 4.447 24 H ALA 3 HN ALA 3 17.808 -9.070 2.241 25 HA ALA 3 HA ALA 3 15.555 -9.505 2.801 26 1HB ALA 3 HB1 ALA 3 15.175 -6.635 3.491 27 2HB ALA 3 HB2 ALA 3 16.508 -7.466 4.292 28 3HB ALA 3 HB3 ALA 3 14.862 -8.075 4.459 29 H GLY 4 HN GLY 4 15.217 -9.606 0.328 30 1HA GLY 4 HA2 GLY 4 13.651 -9.218 -1.390 31 2HA GLY 4 HA1 GLY 4 12.837 -8.075 -0.320 32 H GLY 5 HN GLY 5 16.190 -7.521 -0.658 33 1HA GLY 5 HA2 GLY 5 17.401 -5.842 -1.765 34 2HA GLY 5 HA1 GLY 5 16.210 -5.957 -3.061 35 H CYS 6 HN CYS 6 15.363 -3.962 -3.423 36 HA CYS 6 HA CYS 6 15.179 -1.998 -1.249 37 1HB CYS 6 HB2 CYS 6 15.802 -1.153 -3.392 38 2HB CYS 6 HB1 CYS 6 14.423 -1.916 -4.174 39 H ALA 7 HN ALA 7 13.202 -4.362 -2.705 40 HA ALA 7 HA ALA 7 10.599 -3.300 -2.435 41 1HB ALA 7 HB1 ALA 7 11.165 -6.163 -1.709 42 2HB ALA 7 HB2 ALA 7 11.418 -5.610 -3.365 43 3HB ALA 7 HB3 ALA 7 9.818 -5.497 -2.632 44 H THR 8 HN THR 8 9.434 -5.248 -0.559 45 HA THR 8 HA THR 8 9.092 -3.757 1.733 46 HB THR 8 HB THR 8 9.227 -6.765 1.434 47 HG1 THR 8 HG1 THR 8 7.527 -5.844 0.366 48 1HG2 THR 8 HG21 THR 8 7.992 -6.817 3.616 49 2HG2 THR 8 HG22 THR 8 8.346 -5.100 3.808 50 3HG2 THR 8 HG23 THR 8 9.663 -6.273 3.771 51 H GLY 9 HN GLY 9 10.527 -2.942 3.185 52 1HA GLY 9 HA2 GLY 9 12.126 -3.699 5.013 53 2HA GLY 9 HA1 GLY 9 13.013 -4.520 3.729 54 H TYR 10 HN TYR 10 12.764 -2.439 1.767 55 HA TYR 10 HA TYR 10 14.536 -0.381 3.003 56 1HB TYR 10 HB2 TYR 10 14.665 -1.909 0.471 57 2HB TYR 10 HB1 TYR 10 15.037 -0.195 0.329 58 HD1 TYR 10 HD1 TYR 10 17.127 0.642 1.007 59 HD2 TYR 10 HD2 TYR 10 15.882 -3.254 2.306 60 HE1 TYR 10 HE1 TYR 10 19.378 0.246 1.966 61 HE2 TYR 10 HE2 TYR 10 18.134 -3.653 3.266 62 HH TYR 10 HH TYR 10 20.189 -1.515 4.069 63 H LEU 11 HN LEU 11 14.383 1.786 2.016 64 HA LEU 11 HA LEU 11 11.636 2.383 1.016 65 1HB LEU 11 HB2 LEU 11 12.725 3.312 3.328 66 2HB LEU 11 HB1 LEU 11 13.271 4.560 2.207 67 HG LEU 11 HG LEU 11 10.781 4.500 1.370 68 1HD1 LEU 11 HD11 LEU 11 9.190 3.921 3.141 69 2HD1 LEU 11 HD12 LEU 11 10.517 3.465 4.210 70 3HD1 LEU 11 HD13 LEU 11 10.190 2.520 2.757 71 1HD2 LEU 11 HD21 LEU 11 11.740 5.726 3.969 72 2HD2 LEU 11 HD22 LEU 11 10.200 6.148 3.221 73 3HD2 LEU 11 HD23 LEU 11 11.712 6.478 2.374 74 H ARG 12 HN ARG 12 11.714 4.553 -0.323 75 HA ARG 12 HA ARG 12 13.765 4.129 -2.373 76 1HB ARG 12 HB2 ARG 12 11.389 4.638 -2.955 77 2HB ARG 12 HB1 ARG 12 11.597 6.243 -2.254 78 1HG ARG 12 HG2 ARG 12 11.941 6.402 -4.655 79 2HG ARG 12 HG1 ARG 12 13.492 6.635 -3.848 80 1HD ARG 12 HD2 ARG 12 13.211 4.913 -5.912 81 2HD ARG 12 HD1 ARG 12 14.350 4.615 -4.600 82 HE ARG 12 HE ARG 12 12.455 3.226 -3.562 83 1HH1 ARG 12 HH11 ARG 12 13.814 1.747 -5.753 84 2HH1 ARG 12 HH12 ARG 12 12.490 1.257 -6.756 85 1HH2 ARG 12 HH21 ARG 12 10.254 3.513 -5.362 86 2HH2 ARG 12 HH22 ARG 12 10.474 2.258 -6.535 87 H THR 13 HN THR 13 15.263 5.705 -3.075 88 HA THR 13 HA THR 13 15.697 8.029 -1.274 89 HB THR 13 HB THR 13 18.088 7.539 -1.127 90 HG1 THR 13 HG1 THR 13 18.416 5.153 -1.896 91 1HG2 THR 13 HG21 THR 13 17.046 6.582 0.716 92 2HG2 THR 13 HG22 THR 13 17.830 5.170 0.007 93 3HG2 THR 13 HG23 THR 13 16.112 5.455 -0.269 94 H ALA 14 HN ALA 14 16.271 9.842 -2.392 95 HA ALA 14 HA ALA 14 16.038 9.899 -5.227 96 1HB ALA 14 HB1 ALA 14 17.350 12.033 -3.548 97 2HB ALA 14 HB2 ALA 14 15.601 11.812 -3.623 98 3HB ALA 14 HB3 ALA 14 16.500 12.238 -5.080 99 H ASP 15 HN ASP 15 18.561 8.622 -3.635 100 HA ASP 15 HA ASP 15 20.633 9.728 -5.427 101 1HB ASP 15 HB2 ASP 15 22.206 8.338 -4.145 102 2HB ASP 15 HB1 ASP 15 21.226 9.311 -3.048 103 H GLY 16 HN GLY 16 18.219 7.883 -6.056 104 1HA GLY 16 HA2 GLY 16 17.820 6.326 -7.735 105 2HA GLY 16 HA1 GLY 16 19.539 6.369 -8.078 106 H ARG 17 HN ARG 17 18.059 5.615 -4.964 107 HA ARG 17 HA ARG 17 18.490 2.732 -5.288 108 1HB ARG 17 HB2 ARG 17 20.617 4.389 -4.299 109 2HB ARG 17 HB1 ARG 17 20.032 3.376 -2.980 110 1HG ARG 17 HG2 ARG 17 20.378 2.052 -5.624 111 2HG ARG 17 HG1 ARG 17 21.852 2.510 -4.768 112 1HD ARG 17 HD2 ARG 17 21.583 0.524 -3.655 113 2HD ARG 17 HD1 ARG 17 20.355 1.389 -2.733 114 HE ARG 17 HE ARG 17 18.814 -0.082 -3.719 115 1HH1 ARG 17 HH11 ARG 17 18.856 1.202 -6.371 116 2HH1 ARG 17 HH12 ARG 17 19.386 -0.075 -7.415 117 1HH2 ARG 17 HH21 ARG 17 20.619 -2.032 -4.830 118 2HH2 ARG 17 HH22 ARG 17 20.387 -1.908 -6.542 119 H CYS 18 HN CYS 18 18.701 2.214 -2.460 120 HA CYS 18 HA CYS 18 16.263 3.537 -1.392 121 1HB CYS 18 HB2 CYS 18 16.726 0.550 -1.602 122 2HB CYS 18 HB1 CYS 18 15.418 1.291 -0.682 123 H LYS 19 HN LYS 19 16.133 3.498 0.919 124 HA LYS 19 HA LYS 19 18.778 2.985 2.212 125 1HB LYS 19 HB2 LYS 19 16.677 5.010 2.537 126 2HB LYS 19 HB1 LYS 19 17.229 4.329 4.067 127 1HG LYS 19 HG2 LYS 19 19.568 4.809 3.438 128 2HG LYS 19 HG1 LYS 19 19.013 5.504 1.915 129 1HD LYS 19 HD2 LYS 19 19.467 7.202 3.734 130 2HD LYS 19 HD1 LYS 19 17.837 7.268 3.063 131 1HE LYS 19 HE2 LYS 19 16.955 6.006 4.943 132 2HE LYS 19 HE1 LYS 19 18.579 5.758 5.584 133 1HZ LYS 19 HZ1 LYS 19 18.486 7.711 6.591 134 2HZ LYS 19 HZ2 LYS 19 16.872 7.882 6.088 135 3HZ LYS 19 HZ3 LYS 19 18.133 8.508 5.136 136 HA PRO 20 HA PRO 20 17.079 -0.195 4.718 137 1HB PRO 20 HB2 PRO 20 18.442 0.198 7.069 138 2HB PRO 20 HB1 PRO 20 19.186 -0.473 5.609 139 1HG PRO 20 HG2 PRO 20 19.501 2.242 6.793 140 2HG PRO 20 HG1 PRO 20 20.611 1.340 5.750 141 1HD PRO 20 HD2 PRO 20 18.888 3.451 4.940 142 2HD PRO 20 HD1 PRO 20 19.795 2.362 3.867 143 H THR 21 HN THR 21 15.181 -0.402 5.898 144 HA THR 21 HA THR 21 14.082 2.012 7.185 145 HB THR 21 HB THR 21 12.906 -0.768 6.871 146 HG1 THR 21 HG1 THR 21 12.913 1.563 5.328 147 1HG2 THR 21 HG21 THR 21 11.206 -0.069 8.163 148 2HG2 THR 21 HG22 THR 21 11.001 1.373 7.167 149 3HG2 THR 21 HG23 THR 21 12.127 1.391 8.525 150 H PHE 22 HN PHE 22 16.204 1.502 8.671 151 HA PHE 22 HA PHE 22 16.009 -0.484 10.700 152 1HB PHE 22 HB2 PHE 22 17.362 1.326 12.054 153 2HB PHE 22 HB1 PHE 22 18.099 0.547 10.655 154 HD1 PHE 22 HD1 PHE 22 15.381 3.079 10.424 155 HD2 PHE 22 HD2 PHE 22 19.599 2.357 10.041 156 HE1 PHE 22 HE1 PHE 22 15.660 5.289 9.339 157 HE2 PHE 22 HE2 PHE 22 19.877 4.568 8.954 158 HZ PHE 22 HZ PHE 22 17.908 6.034 8.603 Start of MODEL 3 1 1H GLU 0 HT1 GLU 0 24.354 -4.343 -2.210 2 2H GLU 0 HT2 GLU 0 25.462 -3.273 -2.924 3 3H GLU 0 HT3 GLU 0 24.726 -4.487 -3.858 4 HA GLU 0 HA GLU 0 23.861 -1.883 -3.505 5 1HB GLU 0 HB2 GLU 0 22.092 -2.587 -5.023 6 2HB GLU 0 HB1 GLU 0 23.593 -3.383 -5.493 7 1HG GLU 0 HG2 GLU 0 22.831 -5.343 -4.030 8 2HG GLU 0 HG1 GLU 0 21.249 -4.566 -3.998 9 H ASN 1 HN ASN 1 20.932 -2.674 -3.559 10 HA ASN 1 HA ASN 1 20.078 -1.851 -1.077 11 1HB ASN 1 HB2 ASN 1 18.689 -4.155 -2.448 12 2HB ASN 1 HB1 ASN 1 17.967 -2.827 -1.539 13 1HD2 ASN 1 HD21 ASN 1 17.574 -3.686 -4.449 14 2HD2 ASN 1 HD22 ASN 1 17.887 -2.281 -5.349 15 H PHE 2 HN PHE 2 20.788 -2.554 0.879 16 HA PHE 2 HA PHE 2 21.517 -5.387 1.264 17 1HB PHE 2 HB2 PHE 2 21.949 -2.832 2.709 18 2HB PHE 2 HB1 PHE 2 21.797 -4.269 3.721 19 HD1 PHE 2 HD1 PHE 2 23.541 -5.880 3.849 20 HD2 PHE 2 HD2 PHE 2 23.655 -2.823 0.833 21 HE1 PHE 2 HE1 PHE 2 25.863 -6.535 3.272 22 HE2 PHE 2 HE2 PHE 2 25.976 -3.478 0.257 23 HZ PHE 2 HZ PHE 2 27.080 -5.333 1.477 24 H ALA 3 HN ALA 3 20.773 -6.012 3.767 25 HA ALA 3 HA ALA 3 18.961 -6.733 5.073 26 1HB ALA 3 HB1 ALA 3 18.512 -4.042 4.598 27 2HB ALA 3 HB2 ALA 3 17.583 -5.053 5.706 28 3HB ALA 3 HB3 ALA 3 17.011 -4.795 4.057 29 H GLY 4 HN GLY 4 19.361 -7.919 2.513 30 1HA GLY 4 HA2 GLY 4 18.073 -9.650 1.457 31 2HA GLY 4 HA1 GLY 4 16.599 -8.855 2.010 32 H GLY 5 HN GLY 5 17.594 -6.200 1.053 33 1HA GLY 5 HA2 GLY 5 18.329 -5.665 -1.418 34 2HA GLY 5 HA1 GLY 5 16.892 -6.608 -1.811 35 H CYS 6 HN CYS 6 16.498 -4.318 -2.825 36 HA CYS 6 HA CYS 6 15.558 -2.289 -0.923 37 1HB CYS 6 HB2 CYS 6 16.548 -1.429 -2.881 38 2HB CYS 6 HB1 CYS 6 15.622 -2.489 -3.933 39 H ALA 7 HN ALA 7 14.297 -4.983 -2.577 40 HA ALA 7 HA ALA 7 11.596 -4.297 -3.013 41 1HB ALA 7 HB1 ALA 7 12.993 -6.566 -3.349 42 2HB ALA 7 HB2 ALA 7 11.231 -6.550 -3.297 43 3HB ALA 7 HB3 ALA 7 12.151 -6.988 -1.858 44 H THR 8 HN THR 8 10.136 -6.110 -1.324 45 HA THR 8 HA THR 8 9.169 -4.540 0.705 46 HB THR 8 HB THR 8 8.405 -6.888 0.044 47 HG1 THR 8 HG1 THR 8 8.321 -5.619 2.436 48 1HG2 THR 8 HG21 THR 8 10.782 -7.789 0.593 49 2HG2 THR 8 HG22 THR 8 9.388 -8.772 1.041 50 3HG2 THR 8 HG23 THR 8 10.217 -7.808 2.264 51 H GLY 9 HN GLY 9 10.118 -3.531 2.402 52 1HA GLY 9 HA2 GLY 9 11.287 -4.030 4.607 53 2HA GLY 9 HA1 GLY 9 12.529 -4.814 3.629 54 H TYR 10 HN TYR 10 12.699 -2.930 1.526 55 HA TYR 10 HA TYR 10 13.842 -0.598 2.997 56 1HB TYR 10 HB2 TYR 10 14.753 -2.197 0.673 57 2HB TYR 10 HB1 TYR 10 15.036 -0.465 0.578 58 HD1 TYR 10 HD1 TYR 10 17.368 -0.267 0.960 59 HD2 TYR 10 HD2 TYR 10 14.955 -2.631 3.611 60 HE1 TYR 10 HE1 TYR 10 19.291 -0.492 2.507 61 HE2 TYR 10 HE2 TYR 10 16.879 -2.856 5.159 62 HH TYR 10 HH TYR 10 19.018 -2.406 5.505 63 H LEU 11 HN LEU 11 13.572 1.476 2.064 64 HA LEU 11 HA LEU 11 11.249 1.684 0.209 65 1HB LEU 11 HB2 LEU 11 11.548 2.824 2.684 66 2HB LEU 11 HB1 LEU 11 12.146 4.111 1.635 67 HG LEU 11 HG LEU 11 9.995 3.560 0.222 68 1HD1 LEU 11 HD11 LEU 11 8.120 2.921 1.814 69 2HD1 LEU 11 HD12 LEU 11 9.367 2.447 2.967 70 3HD1 LEU 11 HD13 LEU 11 9.238 1.617 1.416 71 1HD2 LEU 11 HD21 LEU 11 9.079 5.465 1.136 72 2HD2 LEU 11 HD22 LEU 11 10.674 5.564 1.881 73 3HD2 LEU 11 HD23 LEU 11 9.315 4.908 2.793 74 H ARG 12 HN ARG 12 11.673 2.501 -1.793 75 HA ARG 12 HA ARG 12 14.199 2.849 -2.853 76 1HB ARG 12 HB2 ARG 12 12.044 2.840 -4.150 77 2HB ARG 12 HB1 ARG 12 11.800 4.518 -3.662 78 1HG ARG 12 HG2 ARG 12 13.388 5.301 -5.095 79 2HG ARG 12 HG1 ARG 12 14.458 3.926 -4.814 80 1HD ARG 12 HD2 ARG 12 13.785 3.546 -7.041 81 2HD ARG 12 HD1 ARG 12 12.620 2.572 -6.146 82 HE ARG 12 HE ARG 12 10.940 4.017 -6.933 83 1HH1 ARG 12 HH21 ARG 12 14.072 5.434 -7.211 84 2HH1 ARG 12 HH22 ARG 12 13.484 6.921 -7.875 85 1HH2 ARG 12 HH11 ARG 12 10.148 5.995 -7.698 86 2HH2 ARG 12 HH12 ARG 12 11.264 7.242 -8.145 87 H THR 13 HN THR 13 15.548 4.643 -3.277 88 HA THR 13 HA THR 13 15.070 7.030 -1.547 89 HB THR 13 HB THR 13 17.650 7.088 -1.412 90 HG1 THR 13 HG1 THR 13 17.453 5.161 -3.059 91 1HG2 THR 13 HG21 THR 13 15.919 5.017 -0.062 92 2HG2 THR 13 HG22 THR 13 16.477 6.563 0.577 93 3HG2 THR 13 HG23 THR 13 17.614 5.229 0.377 94 H ALA 14 HN ALA 14 15.526 9.009 -2.521 95 HA ALA 14 HA ALA 14 15.465 9.151 -5.361 96 1HB ALA 14 HB1 ALA 14 15.406 11.471 -5.117 97 2HB ALA 14 HB2 ALA 14 16.464 11.440 -3.707 98 3HB ALA 14 HB3 ALA 14 14.786 10.920 -3.560 99 H ASP 15 HN ASP 15 18.029 8.285 -3.532 100 HA ASP 15 HA ASP 15 20.047 9.589 -5.257 101 1HB ASP 15 HB2 ASP 15 21.693 8.764 -3.726 102 2HB ASP 15 HB1 ASP 15 20.354 9.316 -2.721 103 H GLY 16 HN GLY 16 18.006 7.464 -6.005 104 1HA GLY 16 HA2 GLY 16 17.915 5.640 -7.430 105 2HA GLY 16 HA1 GLY 16 19.596 5.993 -7.802 106 H ARG 17 HN ARG 17 17.919 4.973 -4.834 107 HA ARG 17 HA ARG 17 19.299 2.382 -4.831 108 1HB ARG 17 HB2 ARG 17 20.685 4.546 -3.760 109 2HB ARG 17 HB1 ARG 17 19.954 3.791 -2.347 110 1HG ARG 17 HG2 ARG 17 21.114 1.801 -2.640 111 2HG ARG 17 HG1 ARG 17 21.269 2.031 -4.383 112 1HD ARG 17 HD2 ARG 17 23.367 2.831 -4.031 113 2HD ARG 17 HD1 ARG 17 22.645 4.213 -3.206 114 HE ARG 17 HE ARG 17 22.693 2.394 -1.198 115 1HH1 ARG 17 HH11 ARG 17 24.855 1.246 -3.214 116 2HH1 ARG 17 HH12 ARG 17 26.290 1.763 -2.393 117 1HH2 ARG 17 HH21 ARG 17 24.614 3.941 -0.279 118 2HH2 ARG 17 HH22 ARG 17 26.153 3.288 -0.729 119 H CYS 18 HN CYS 18 19.061 2.298 -1.832 120 HA CYS 18 HA CYS 18 16.210 2.742 -1.323 121 1HB CYS 18 HB2 CYS 18 16.931 0.340 -2.515 122 2HB CYS 18 HB1 CYS 18 16.835 -0.062 -0.801 123 H LYS 19 HN LYS 19 16.018 3.240 0.794 124 HA LYS 19 HA LYS 19 18.286 2.622 2.601 125 1HB LYS 19 HB2 LYS 19 17.370 4.358 4.004 126 2HB LYS 19 HB1 LYS 19 17.374 4.962 2.354 127 1HG LYS 19 HG2 LYS 19 15.195 5.459 2.769 128 2HG LYS 19 HG1 LYS 19 14.928 3.740 2.472 129 1HD LYS 19 HD2 LYS 19 13.895 4.469 4.606 130 2HD LYS 19 HD1 LYS 19 15.162 3.273 4.874 131 1HE LYS 19 HE2 LYS 19 16.635 4.828 5.770 132 2HE LYS 19 HE1 LYS 19 15.898 6.176 4.906 133 1HZ LYS 19 HZ1 LYS 19 14.036 6.130 6.355 134 2HZ LYS 19 HZ2 LYS 19 15.427 6.123 7.330 135 3HZ LYS 19 HZ3 LYS 19 14.548 4.690 7.089 136 HA PRO 20 HA PRO 20 15.934 -0.318 4.877 137 1HB PRO 20 HB2 PRO 20 16.909 0.091 7.410 138 2HB PRO 20 HB1 PRO 20 17.818 -0.723 6.128 139 1HG PRO 20 HG2 PRO 20 18.184 2.020 7.232 140 2HG PRO 20 HG1 PRO 20 19.366 0.969 6.434 141 1HD PRO 20 HD2 PRO 20 18.010 3.166 5.254 142 2HD PRO 20 HD1 PRO 20 18.969 1.942 4.395 143 H THR 21 HN THR 21 13.834 -0.252 5.563 144 HA THR 21 HA THR 21 12.781 2.256 6.716 145 HB THR 21 HB THR 21 11.317 -0.305 6.009 146 HG1 THR 21 HG1 THR 21 11.986 0.421 4.106 147 1HG2 THR 21 HG21 THR 21 9.900 2.256 5.906 148 2HG2 THR 21 HG22 THR 21 10.482 1.858 7.523 149 3HG2 THR 21 HG23 THR 21 9.422 0.738 6.667 150 H PHE 22 HN PHE 22 14.566 0.837 8.425 151 HA PHE 22 HA PHE 22 14.686 -0.108 10.579 152 1HB PHE 22 HB2 PHE 22 11.992 1.216 10.967 153 2HB PHE 22 HB1 PHE 22 13.247 0.937 12.176 154 HD1 PHE 22 HD1 PHE 22 12.043 3.662 11.663 155 HD2 PHE 22 HD2 PHE 22 15.441 1.714 9.900 156 HE1 PHE 22 HE1 PHE 22 13.041 5.872 11.146 157 HE2 PHE 22 HE2 PHE 22 16.439 3.924 9.382 158 HZ PHE 22 HZ PHE 22 15.239 6.003 10.005 Start of MODEL 4 1 1H GLU 0 HT1 GLU 0 24.701 -4.516 -0.663 2 2H GLU 0 HT2 GLU 0 23.551 -5.725 -0.345 3 3H GLU 0 HT3 GLU 0 24.317 -4.919 0.939 4 HA GLU 0 HA GLU 0 23.059 -3.051 0.738 5 1HB GLU 0 HB2 GLU 0 22.146 -2.249 -1.343 6 2HB GLU 0 HB1 GLU 0 23.797 -2.778 -1.670 7 1HG GLU 0 HG2 GLU 0 22.648 -5.082 -2.208 8 2HG GLU 0 HG1 GLU 0 21.206 -4.091 -2.426 9 H ASN 1 HN ASN 1 20.531 -3.192 -0.903 10 HA ASN 1 HA ASN 1 18.827 -4.413 0.966 11 1HB ASN 1 HB2 ASN 1 18.099 -4.484 -1.951 12 2HB ASN 1 HB1 ASN 1 17.088 -4.094 -0.561 13 1HD2 ASN 1 HD21 ASN 1 19.204 -2.754 -2.977 14 2HD2 ASN 1 HD22 ASN 1 19.138 -1.146 -2.438 15 H PHE 2 HN PHE 2 19.137 -6.492 1.633 16 HA PHE 2 HA PHE 2 20.329 -8.621 0.345 17 1HB PHE 2 HB2 PHE 2 18.671 -8.301 2.617 18 2HB PHE 2 HB1 PHE 2 17.982 -9.627 1.679 19 HD1 PHE 2 HD1 PHE 2 18.997 -11.759 1.677 20 HD2 PHE 2 HD2 PHE 2 21.193 -8.351 3.095 21 HE1 PHE 2 HE1 PHE 2 20.817 -13.255 2.455 22 HE2 PHE 2 HE2 PHE 2 23.012 -9.846 3.873 23 HZ PHE 2 HZ PHE 2 22.824 -12.298 3.552 24 H ALA 3 HN ALA 3 19.914 -9.759 -1.463 25 HA ALA 3 HA ALA 3 18.813 -10.189 -3.530 26 1HB ALA 3 HB1 ALA 3 16.963 -11.295 -1.400 27 2HB ALA 3 HB2 ALA 3 18.321 -12.130 -2.154 28 3HB ALA 3 HB3 ALA 3 16.892 -11.733 -3.107 29 H GLY 4 HN GLY 4 18.359 -7.633 -3.459 30 1HA GLY 4 HA2 GLY 4 16.853 -5.950 -4.093 31 2HA GLY 4 HA1 GLY 4 15.775 -7.251 -4.601 32 H GLY 5 HN GLY 5 17.027 -6.327 -1.379 33 1HA GLY 5 HA2 GLY 5 14.326 -6.665 -0.265 34 2HA GLY 5 HA1 GLY 5 15.788 -6.310 0.655 35 H CYS 6 HN CYS 6 14.974 -4.398 -2.162 36 HA CYS 6 HA CYS 6 14.886 -1.981 -0.527 37 1HB CYS 6 HB2 CYS 6 15.943 -1.745 -2.627 38 2HB CYS 6 HB1 CYS 6 14.634 -2.550 -3.481 39 H ALA 7 HN ALA 7 12.668 -4.221 -1.871 40 HA ALA 7 HA ALA 7 10.327 -2.657 -2.171 41 1HB ALA 7 HB1 ALA 7 10.080 -5.389 -0.988 42 2HB ALA 7 HB2 ALA 7 10.843 -5.248 -2.572 43 3HB ALA 7 HB3 ALA 7 9.196 -4.664 -2.331 44 H THR 8 HN THR 8 8.623 -4.158 -0.228 45 HA THR 8 HA THR 8 8.277 -2.262 1.770 46 HB THR 8 HB THR 8 7.861 -5.258 1.930 47 HG1 THR 8 HG1 THR 8 6.725 -4.006 0.319 48 1HG2 THR 8 HG21 THR 8 7.414 -3.081 3.876 49 2HG2 THR 8 HG22 THR 8 7.569 -4.818 4.145 50 3HG2 THR 8 HG23 THR 8 6.029 -4.141 3.616 51 H GLY 9 HN GLY 9 9.619 -1.550 3.351 52 1HA GLY 9 HA2 GLY 9 10.801 -2.341 5.462 53 2HA GLY 9 HA1 GLY 9 11.670 -3.457 4.408 54 H TYR 10 HN TYR 10 12.165 -1.725 2.231 55 HA TYR 10 HA TYR 10 14.119 0.135 3.497 56 1HB TYR 10 HB2 TYR 10 14.125 -1.535 1.021 57 2HB TYR 10 HB1 TYR 10 14.984 -0.001 0.962 58 HD1 TYR 10 HD1 TYR 10 17.266 -0.256 1.350 59 HD2 TYR 10 HD2 TYR 10 14.490 -2.650 3.578 60 HE1 TYR 10 HE1 TYR 10 19.149 -1.254 2.605 61 HE2 TYR 10 HE2 TYR 10 16.376 -3.654 4.838 62 HH TYR 10 HH TYR 10 19.284 -2.405 5.095 63 H LEU 11 HN LEU 11 14.625 1.851 1.392 64 HA LEU 11 HA LEU 11 12.074 2.911 0.375 65 1HB LEU 11 HB2 LEU 11 12.841 3.795 2.841 66 2HB LEU 11 HB1 LEU 11 13.685 4.948 1.807 67 HG LEU 11 HG LEU 11 11.449 5.794 2.355 68 1HD1 LEU 11 HD11 LEU 11 11.686 4.823 -0.510 69 2HD1 LEU 11 HD12 LEU 11 12.361 6.319 0.136 70 3HD1 LEU 11 HD13 LEU 11 10.612 6.110 0.041 71 1HD2 LEU 11 HD21 LEU 11 9.553 4.525 2.259 72 2HD2 LEU 11 HD22 LEU 11 10.682 3.172 2.336 73 3HD2 LEU 11 HD23 LEU 11 10.057 3.711 0.778 74 H ARG 12 HN ARG 12 12.761 2.984 -1.727 75 HA ARG 12 HA ARG 12 15.184 3.137 -2.897 76 1HB ARG 12 HB2 ARG 12 14.211 4.416 -4.755 77 2HB ARG 12 HB1 ARG 12 13.055 3.224 -4.159 78 1HG ARG 12 HG2 ARG 12 11.592 4.931 -3.952 79 2HG ARG 12 HG1 ARG 12 12.565 5.465 -2.581 80 1HD ARG 12 HD2 ARG 12 12.542 7.393 -3.947 81 2HD ARG 12 HD1 ARG 12 14.059 6.625 -4.414 82 HE ARG 12 HE ARG 12 12.094 5.594 -6.145 83 1HH1 ARG 12 HH11 ARG 12 14.151 8.255 -5.635 84 2HH1 ARG 12 HH12 ARG 12 13.622 9.129 -7.034 85 1HH2 ARG 12 HH21 ARG 12 11.104 6.875 -7.815 86 2HH2 ARG 12 HH22 ARG 12 11.896 8.347 -8.269 87 H THR 13 HN THR 13 16.928 4.257 -2.210 88 HA THR 13 HA THR 13 16.620 7.042 -1.277 89 HB THR 13 HB THR 13 18.227 6.249 0.123 90 HG1 THR 13 HG1 THR 13 20.256 6.711 -0.620 91 1HG2 THR 13 HG21 THR 13 19.782 4.340 -0.559 92 2HG2 THR 13 HG22 THR 13 18.812 4.206 -2.026 93 3HG2 THR 13 HG23 THR 13 18.068 3.941 -0.450 94 H ALA 14 HN ALA 14 17.823 8.791 -2.228 95 HA ALA 14 HA ALA 14 17.723 8.856 -5.067 96 1HB ALA 14 HB1 ALA 14 17.531 10.857 -3.595 97 2HB ALA 14 HB2 ALA 14 18.706 11.072 -4.892 98 3HB ALA 14 HB3 ALA 14 19.255 10.725 -3.252 99 H ASP 15 HN ASP 15 19.922 7.216 -3.329 100 HA ASP 15 HA ASP 15 22.231 7.850 -5.055 101 1HB ASP 15 HB2 ASP 15 23.387 6.111 -3.643 102 2HB ASP 15 HB1 ASP 15 22.757 7.469 -2.710 103 H GLY 16 HN GLY 16 19.562 6.481 -5.772 104 1HA GLY 16 HA2 GLY 16 18.905 4.886 -7.322 105 2HA GLY 16 HA1 GLY 16 20.613 4.667 -7.674 106 H ARG 17 HN ARG 17 19.143 4.307 -4.498 107 HA ARG 17 HA ARG 17 19.378 1.346 -4.690 108 1HB ARG 17 HB2 ARG 17 20.672 2.892 -2.431 109 2HB ARG 17 HB1 ARG 17 20.811 1.168 -2.775 110 1HG ARG 17 HG2 ARG 17 21.707 2.104 -5.118 111 2HG ARG 17 HG1 ARG 17 22.146 3.480 -4.107 112 1HD ARG 17 HD2 ARG 17 23.852 2.333 -3.122 113 2HD ARG 17 HD1 ARG 17 22.834 0.920 -2.841 114 HE ARG 17 HE ARG 17 23.864 -0.042 -4.720 115 1HH1 ARG 17 HH21 ARG 17 25.969 2.170 -4.616 116 2HH1 ARG 17 HH22 ARG 17 25.914 2.756 -6.245 117 1HH2 ARG 17 HH11 ARG 17 22.880 1.242 -6.969 118 2HH2 ARG 17 HH12 ARG 17 24.165 2.232 -7.576 119 H CYS 18 HN CYS 18 19.230 1.411 -1.635 120 HA CYS 18 HA CYS 18 16.574 2.594 -1.172 121 1HB CYS 18 HB2 CYS 18 16.770 -0.050 -2.070 122 2HB CYS 18 HB1 CYS 18 16.550 -0.193 -0.329 123 H LYS 19 HN LYS 19 16.295 3.060 1.014 124 HA LYS 19 HA LYS 19 18.485 2.183 2.834 125 1HB LYS 19 HB2 LYS 19 17.988 4.245 4.086 126 2HB LYS 19 HB1 LYS 19 18.404 4.612 2.418 127 1HG LYS 19 HG2 LYS 19 16.063 4.871 1.839 128 2HG LYS 19 HG1 LYS 19 15.565 4.322 3.440 129 1HD LYS 19 HD2 LYS 19 17.335 6.742 3.059 130 2HD LYS 19 HD1 LYS 19 15.575 6.861 3.055 131 1HE LYS 19 HE2 LYS 19 15.714 5.536 5.294 132 2HE LYS 19 HE1 LYS 19 17.402 6.043 5.305 133 1HZ LYS 19 HZ1 LYS 19 16.854 8.180 5.674 134 2HZ LYS 19 HZ2 LYS 19 15.427 7.508 6.306 135 3HZ LYS 19 HZ3 LYS 19 15.454 8.115 4.720 136 HA PRO 20 HA PRO 20 15.449 0.237 5.350 137 1HB PRO 20 HB2 PRO 20 16.668 0.473 7.806 138 2HB PRO 20 HB1 PRO 20 17.183 -0.678 6.560 139 1HG PRO 20 HG2 PRO 20 18.468 1.882 7.398 140 2HG PRO 20 HG1 PRO 20 19.205 0.436 6.689 141 1HD PRO 20 HD2 PRO 20 18.615 2.823 5.303 142 2HD PRO 20 HD1 PRO 20 18.996 1.257 4.556 143 H THR 21 HN THR 21 13.627 0.829 6.575 144 HA THR 21 HA THR 21 13.284 3.709 7.060 145 HB THR 21 HB THR 21 11.168 1.861 7.969 146 HG1 THR 21 HG1 THR 21 12.164 1.890 5.327 147 1HG2 THR 21 HG21 THR 21 11.385 4.287 6.181 148 2HG2 THR 21 HG22 THR 21 10.647 4.179 7.779 149 3HG2 THR 21 HG23 THR 21 9.872 3.405 6.396 150 H PHE 22 HN PHE 22 15.247 2.873 8.760 151 HA PHE 22 HA PHE 22 15.842 2.866 11.027 152 1HB PHE 22 HB2 PHE 22 13.005 3.760 11.573 153 2HB PHE 22 HB1 PHE 22 14.451 4.101 12.522 154 HD1 PHE 22 HD1 PHE 22 16.434 4.941 10.561 155 HD2 PHE 22 HD2 PHE 22 12.226 5.802 10.680 156 HE1 PHE 22 HE1 PHE 22 16.818 7.005 9.241 157 HE2 PHE 22 HE2 PHE 22 12.611 7.866 9.361 158 HZ PHE 22 HZ PHE 22 14.907 8.468 8.642 Start of MODEL 5 1 1H GLU 0 HT1 GLU 0 23.359 -7.161 -4.411 2 2H GLU 0 HT2 GLU 0 23.500 -6.519 -2.844 3 3H GLU 0 HT3 GLU 0 24.072 -5.639 -4.180 4 HA GLU 0 HA GLU 0 22.098 -4.737 -4.570 5 1HB GLU 0 HB2 GLU 0 21.260 -6.603 -5.764 6 2HB GLU 0 HB1 GLU 0 21.184 -7.604 -4.316 7 1HG GLU 0 HG2 GLU 0 19.173 -6.733 -3.655 8 2HG GLU 0 HG1 GLU 0 19.555 -5.120 -4.257 9 H ASN 1 HN ASN 1 20.398 -3.779 -3.322 10 HA ASN 1 HA ASN 1 20.756 -3.253 -0.674 11 1HB ASN 1 HB2 ASN 1 18.206 -3.028 -0.518 12 2HB ASN 1 HB1 ASN 1 18.997 -2.113 -1.802 13 1HD2 ASN 1 HD21 ASN 1 17.855 -2.286 -3.729 14 2HD2 ASN 1 HD22 ASN 1 17.030 -3.672 -4.257 15 H PHE 2 HN PHE 2 20.755 -4.406 1.196 16 HA PHE 2 HA PHE 2 19.640 -7.168 1.117 17 1HB PHE 2 HB2 PHE 2 22.075 -6.153 2.060 18 2HB PHE 2 HB1 PHE 2 21.138 -6.486 3.516 19 HD1 PHE 2 HD1 PHE 2 21.583 -8.582 4.414 20 HD2 PHE 2 HD2 PHE 2 21.490 -8.112 0.146 21 HE1 PHE 2 HE1 PHE 2 22.016 -11.008 4.139 22 HE2 PHE 2 HE2 PHE 2 21.922 -10.539 -0.131 23 HZ PHE 2 HZ PHE 2 22.185 -11.987 1.866 24 H ALA 3 HN ALA 3 19.457 -7.432 3.976 25 HA ALA 3 HA ALA 3 17.879 -7.109 5.684 26 1HB ALA 3 HB1 ALA 3 18.628 -4.457 4.732 27 2HB ALA 3 HB2 ALA 3 18.299 -4.999 6.378 28 3HB ALA 3 HB3 ALA 3 16.972 -4.487 5.335 29 H GLY 4 HN GLY 4 16.873 -8.343 3.443 30 1HA GLY 4 HA2 GLY 4 14.610 -8.953 2.901 31 2HA GLY 4 HA1 GLY 4 14.075 -7.370 3.467 32 H GLY 5 HN GLY 5 16.363 -6.131 1.881 33 1HA GLY 5 HA2 GLY 5 16.854 -5.939 -0.536 34 2HA GLY 5 HA1 GLY 5 15.207 -6.487 -0.852 35 H CYS 6 HN CYS 6 15.404 -4.362 -2.179 36 HA CYS 6 HA CYS 6 15.191 -1.885 -0.646 37 1HB CYS 6 HB2 CYS 6 16.186 -1.693 -2.781 38 2HB CYS 6 HB1 CYS 6 14.883 -2.574 -3.568 39 H ALA 7 HN ALA 7 13.080 -4.324 -1.787 40 HA ALA 7 HA ALA 7 10.640 -2.942 -2.127 41 1HB ALA 7 HB1 ALA 7 10.997 -5.387 -2.553 42 2HB ALA 7 HB2 ALA 7 9.534 -5.048 -1.627 43 3HB ALA 7 HB3 ALA 7 10.975 -5.652 -0.809 44 H THR 8 HN THR 8 8.889 -3.991 -0.138 45 HA THR 8 HA THR 8 8.793 -1.974 1.765 46 HB THR 8 HB THR 8 7.957 -4.870 2.070 47 HG1 THR 8 HG1 THR 8 6.023 -4.127 1.356 48 1HG2 THR 8 HG21 THR 8 7.314 -4.412 4.176 49 2HG2 THR 8 HG22 THR 8 6.421 -2.995 3.625 50 3HG2 THR 8 HG23 THR 8 8.126 -2.851 4.048 51 H GLY 9 HN GLY 9 10.658 -1.381 2.817 52 1HA GLY 9 HA2 GLY 9 11.522 -2.399 5.186 53 2HA GLY 9 HA1 GLY 9 12.413 -3.399 4.035 54 H TYR 10 HN TYR 10 12.759 -1.399 2.026 55 HA TYR 10 HA TYR 10 14.666 0.434 3.425 56 1HB TYR 10 HB2 TYR 10 14.822 -1.165 0.930 57 2HB TYR 10 HB1 TYR 10 15.582 0.416 0.894 58 HD1 TYR 10 HD1 TYR 10 17.892 -0.277 0.847 59 HD2 TYR 10 HD2 TYR 10 15.240 -1.737 3.887 60 HE1 TYR 10 HE1 TYR 10 19.829 -1.188 2.096 61 HE2 TYR 10 HE2 TYR 10 17.175 -2.646 5.140 62 HH TYR 10 HH TYR 10 20.433 -2.591 3.778 63 H LEU 11 HN LEU 11 14.787 2.596 2.582 64 HA LEU 11 HA LEU 11 12.278 3.491 1.290 65 1HB LEU 11 HB2 LEU 11 13.709 4.545 3.371 66 2HB LEU 11 HB1 LEU 11 14.321 5.501 2.020 67 HG LEU 11 HG LEU 11 12.373 6.626 2.932 68 1HD1 LEU 11 HD11 LEU 11 11.056 6.816 0.936 69 2HD1 LEU 11 HD12 LEU 11 11.481 5.182 0.425 70 3HD1 LEU 11 HD13 LEU 11 12.701 6.456 0.413 71 1HD2 LEU 11 HD21 LEU 11 10.698 4.201 2.290 72 2HD2 LEU 11 HD22 LEU 11 10.299 5.572 3.325 73 3HD2 LEU 11 HD23 LEU 11 11.471 4.371 3.865 74 H ARG 12 HN ARG 12 12.322 3.576 -0.895 75 HA ARG 12 HA ARG 12 14.375 3.209 -2.652 76 1HB ARG 12 HB2 ARG 12 12.017 3.570 -3.326 77 2HB ARG 12 HB1 ARG 12 12.206 5.297 -3.016 78 1HG ARG 12 HG2 ARG 12 13.451 5.639 -4.905 79 2HG ARG 12 HG1 ARG 12 14.247 4.068 -4.788 80 1HD ARG 12 HD2 ARG 12 11.307 4.263 -5.501 81 2HD ARG 12 HD1 ARG 12 12.549 4.418 -6.744 82 HE ARG 12 HE ARG 12 13.347 2.114 -5.879 83 1HH1 ARG 12 HH21 ARG 12 10.912 2.071 -7.690 84 2HH1 ARG 12 HH22 ARG 12 9.847 1.031 -6.805 85 1HH2 ARG 12 HH11 ARG 12 11.635 1.283 -3.846 86 2HH2 ARG 12 HH12 ARG 12 10.256 0.585 -4.628 87 H THR 13 HN THR 13 16.075 4.362 -3.517 88 HA THR 13 HA THR 13 16.534 7.101 -2.410 89 HB THR 13 HB THR 13 18.857 6.631 -2.204 90 HG1 THR 13 HG1 THR 13 19.328 4.258 -2.940 91 1HG2 THR 13 HG21 THR 13 16.912 4.814 -1.057 92 2HG2 THR 13 HG22 THR 13 18.352 5.516 -0.320 93 3HG2 THR 13 HG23 THR 13 18.476 4.022 -1.248 94 H ALA 14 HN ALA 14 16.931 8.662 -3.911 95 HA ALA 14 HA ALA 14 16.535 8.112 -6.690 96 1HB ALA 14 HB1 ALA 14 17.580 10.599 -6.751 97 2HB ALA 14 HB2 ALA 14 17.141 10.499 -5.046 98 3HB ALA 14 HB3 ALA 14 15.909 10.273 -6.288 99 H ASP 15 HN ASP 15 19.186 7.394 -4.960 100 HA ASP 15 HA ASP 15 21.138 8.172 -7.039 101 1HB ASP 15 HB2 ASP 15 22.826 7.206 -5.538 102 2HB ASP 15 HB1 ASP 15 21.807 8.335 -4.646 103 H GLY 16 HN GLY 16 18.834 6.089 -7.130 104 1HA GLY 16 HA2 GLY 16 18.507 4.168 -8.399 105 2HA GLY 16 HA1 GLY 16 20.219 4.221 -8.784 106 H ARG 17 HN ARG 17 18.649 4.052 -5.601 107 HA ARG 17 HA ARG 17 19.460 1.248 -5.252 108 1HB ARG 17 HB2 ARG 17 21.332 3.228 -4.630 109 2HB ARG 17 HB1 ARG 17 20.607 2.815 -3.076 110 1HG ARG 17 HG2 ARG 17 20.994 0.364 -4.425 111 2HG ARG 17 HG1 ARG 17 22.478 1.288 -4.659 112 1HD ARG 17 HD2 ARG 17 21.244 1.187 -1.907 113 2HD ARG 17 HD1 ARG 17 22.189 -0.189 -2.472 114 HE ARG 17 HE ARG 17 23.807 2.012 -2.984 115 1HH1 ARG 17 HH21 ARG 17 24.029 -0.242 -0.809 116 2HH1 ARG 17 HH22 ARG 17 24.348 0.736 0.585 117 1HH2 ARG 17 HH11 ARG 17 23.403 3.699 -0.949 118 2HH2 ARG 17 HH12 ARG 17 23.992 2.967 0.506 119 H CYS 18 HN CYS 18 19.485 1.469 -2.352 120 HA CYS 18 HA CYS 18 16.890 2.664 -1.642 121 1HB CYS 18 HB2 CYS 18 17.015 -0.026 -2.459 122 2HB CYS 18 HB1 CYS 18 16.930 -0.079 -0.701 123 H LYS 19 HN LYS 19 16.976 3.355 0.451 124 HA LYS 19 HA LYS 19 19.352 2.585 2.046 125 1HB LYS 19 HB2 LYS 19 19.215 4.684 2.996 126 2HB LYS 19 HB1 LYS 19 18.446 5.024 1.460 127 1HG LYS 19 HG2 LYS 19 16.250 4.301 2.735 128 2HG LYS 19 HG1 LYS 19 17.193 4.718 4.166 129 1HD LYS 19 HD2 LYS 19 17.240 6.656 1.902 130 2HD LYS 19 HD1 LYS 19 15.747 6.547 2.836 131 1HE LYS 19 HE2 LYS 19 18.396 6.764 4.245 132 2HE LYS 19 HE1 LYS 19 17.600 8.210 3.626 133 1HZ LYS 19 HZ1 LYS 19 15.956 8.065 5.138 134 2HZ LYS 19 HZ2 LYS 19 17.113 7.195 6.027 135 3HZ LYS 19 HZ3 LYS 19 15.929 6.369 5.131 136 HA PRO 20 HA PRO 20 16.918 0.595 5.146 137 1HB PRO 20 HB2 PRO 20 17.821 1.683 7.502 138 2HB PRO 20 HB1 PRO 20 18.775 0.560 6.517 139 1HG PRO 20 HG2 PRO 20 19.115 3.492 6.867 140 2HG PRO 20 HG1 PRO 20 20.307 2.277 6.380 141 1HD PRO 20 HD2 PRO 20 18.928 4.092 4.670 142 2HD PRO 20 HD1 PRO 20 19.964 2.740 4.164 143 H THR 21 HN THR 21 14.818 0.836 5.893 144 HA THR 21 HA THR 21 13.709 3.558 6.063 145 HB THR 21 HB THR 21 12.488 1.647 4.954 146 HG1 THR 21 HG1 THR 21 11.580 3.589 6.271 147 1HG2 THR 21 HG21 THR 21 13.217 0.196 7.116 148 2HG2 THR 21 HG22 THR 21 11.829 -0.213 6.108 149 3HG2 THR 21 HG23 THR 21 11.595 0.677 7.612 150 H PHE 22 HN PHE 22 15.587 3.129 8.087 151 HA PHE 22 HA PHE 22 15.807 3.387 10.408 152 1HB PHE 22 HB2 PHE 22 12.813 3.733 10.540 153 2HB PHE 22 HB1 PHE 22 14.052 4.481 11.549 154 HD1 PHE 22 HD1 PHE 22 15.455 6.333 10.666 155 HD2 PHE 22 HD2 PHE 22 12.285 4.624 8.327 156 HE1 PHE 22 HE1 PHE 22 15.547 8.274 9.127 157 HE2 PHE 22 HE2 PHE 22 12.376 6.566 6.786 158 HZ PHE 22 HZ PHE 22 14.006 8.392 7.188 Start of MODEL 6 1 1H GLU 0 HT1 GLU 0 26.000 -1.765 -1.433 2 2H GLU 0 HT2 GLU 0 26.151 -3.433 -1.149 3 3H GLU 0 HT3 GLU 0 25.378 -2.440 -0.008 4 HA GLU 0 HA GLU 0 23.902 -1.920 -2.168 5 1HB GLU 0 HB2 GLU 0 25.071 -3.567 -3.538 6 2HB GLU 0 HB1 GLU 0 24.807 -4.811 -2.316 7 1HG GLU 0 HG2 GLU 0 22.998 -5.294 -3.642 8 2HG GLU 0 HG1 GLU 0 22.250 -4.016 -2.682 9 H ASN 1 HN ASN 1 21.751 -2.316 -1.617 10 HA ASN 1 HA ASN 1 20.968 -2.692 0.998 11 1HB ASN 1 HB2 ASN 1 18.817 -3.754 -0.116 12 2HB ASN 1 HB1 ASN 1 19.215 -2.060 -0.397 13 1HD2 ASN 1 HD21 ASN 1 19.776 -5.318 -1.838 14 2HD2 ASN 1 HD22 ASN 1 19.826 -4.762 -3.440 15 H PHE 2 HN PHE 2 20.373 -4.487 2.296 16 HA PHE 2 HA PHE 2 20.859 -7.194 1.175 17 1HB PHE 2 HB2 PHE 2 22.620 -5.805 3.013 18 2HB PHE 2 HB1 PHE 2 21.972 -7.270 3.755 19 HD1 PHE 2 HD1 PHE 2 21.642 -9.130 1.578 20 HD2 PHE 2 HD2 PHE 2 24.778 -6.264 2.220 21 HE1 PHE 2 HE1 PHE 2 23.182 -10.508 0.208 22 HE2 PHE 2 HE2 PHE 2 26.318 -7.643 0.849 23 HZ PHE 2 HZ PHE 2 25.520 -9.765 -0.156 24 H ALA 3 HN ALA 3 20.499 -8.728 3.379 25 HA ALA 3 HA ALA 3 18.710 -9.636 4.615 26 1HB ALA 3 HB1 ALA 3 19.690 -7.526 5.945 27 2HB ALA 3 HB2 ALA 3 18.289 -8.424 6.530 28 3HB ALA 3 HB3 ALA 3 18.064 -6.912 5.649 29 H GLY 4 HN GLY 4 17.747 -9.506 2.205 30 1HA GLY 4 HA2 GLY 4 15.379 -9.641 1.542 31 2HA GLY 4 HA1 GLY 4 15.083 -8.188 2.499 32 H GLY 5 HN GLY 5 17.434 -6.762 1.572 33 1HA GLY 5 HA2 GLY 5 18.317 -5.778 -0.441 34 2HA GLY 5 HA1 GLY 5 17.003 -6.520 -1.352 35 H CYS 6 HN CYS 6 16.461 -4.505 -2.318 36 HA CYS 6 HA CYS 6 15.734 -2.208 -0.668 37 1HB CYS 6 HB2 CYS 6 16.606 -1.671 -2.773 38 2HB CYS 6 HB1 CYS 6 15.610 -2.852 -3.608 39 H ALA 7 HN ALA 7 14.171 -4.990 -1.926 40 HA ALA 7 HA ALA 7 11.476 -4.115 -2.126 41 1HB ALA 7 HB1 ALA 7 10.873 -6.392 -2.067 42 2HB ALA 7 HB2 ALA 7 12.207 -6.811 -0.991 43 3HB ALA 7 HB3 ALA 7 12.525 -6.430 -2.683 44 H THR 8 HN THR 8 10.414 -6.054 -0.038 45 HA THR 8 HA THR 8 9.666 -4.258 1.955 46 HB THR 8 HB THR 8 8.722 -6.544 1.734 47 HG1 THR 8 HG1 THR 8 9.732 -5.576 4.154 48 1HG2 THR 8 HG21 THR 8 9.989 -8.428 2.778 49 2HG2 THR 8 HG22 THR 8 11.385 -7.363 2.926 50 3HG2 THR 8 HG23 THR 8 10.771 -7.792 1.330 51 H GLY 9 HN GLY 9 10.736 -3.259 3.616 52 1HA GLY 9 HA2 GLY 9 12.353 -3.528 5.513 53 2HA GLY 9 HA1 GLY 9 13.417 -4.355 4.375 54 H TYR 10 HN TYR 10 12.912 -2.511 2.177 55 HA TYR 10 HA TYR 10 14.242 -0.055 3.232 56 1HB TYR 10 HB2 TYR 10 14.903 -1.831 0.917 57 2HB TYR 10 HB1 TYR 10 15.185 -0.109 0.749 58 HD1 TYR 10 HD1 TYR 10 17.383 0.505 1.162 59 HD2 TYR 10 HD2 TYR 10 15.605 -2.620 3.508 60 HE1 TYR 10 HE1 TYR 10 19.481 0.294 2.466 61 HE2 TYR 10 HE2 TYR 10 17.703 -2.831 4.814 62 HH TYR 10 HH TYR 10 20.627 -1.435 3.830 63 H LEU 11 HN LEU 11 13.728 1.894 2.059 64 HA LEU 11 HA LEU 11 11.175 1.705 0.519 65 1HB LEU 11 HB2 LEU 11 11.392 3.128 2.707 66 2HB LEU 11 HB1 LEU 11 12.264 4.264 1.676 67 HG LEU 11 HG LEU 11 10.097 3.689 0.111 68 1HD1 LEU 11 HD11 LEU 11 9.416 3.085 2.919 69 2HD1 LEU 11 HD12 LEU 11 8.604 2.594 1.432 70 3HD1 LEU 11 HD13 LEU 11 8.301 4.191 2.116 71 1HD2 LEU 11 HD21 LEU 11 9.206 5.887 0.940 72 2HD2 LEU 11 HD22 LEU 11 10.926 5.931 0.555 73 3HD2 LEU 11 HD23 LEU 11 10.401 5.833 2.236 74 H ARG 12 HN ARG 12 11.484 1.908 -1.638 75 HA ARG 12 HA ARG 12 13.767 2.357 -3.044 76 1HB ARG 12 HB2 ARG 12 12.466 2.877 -4.931 77 2HB ARG 12 HB1 ARG 12 11.350 1.986 -3.905 78 1HG ARG 12 HG2 ARG 12 10.035 3.818 -4.448 79 2HG ARG 12 HG1 ARG 12 10.779 4.384 -2.954 80 1HD ARG 12 HD2 ARG 12 10.800 5.853 -5.241 81 2HD ARG 12 HD1 ARG 12 12.081 5.961 -4.040 82 HE ARG 12 HE ARG 12 13.487 4.615 -5.484 83 1HH1 ARG 12 HH21 ARG 12 11.319 6.492 -7.091 84 2HH1 ARG 12 HH22 ARG 12 11.276 5.561 -8.551 85 1HH2 ARG 12 HH11 ARG 12 13.019 2.881 -7.201 86 2HH2 ARG 12 HH12 ARG 12 12.240 3.513 -8.613 87 H THR 13 HN THR 13 15.161 3.993 -3.454 88 HA THR 13 HA THR 13 14.507 6.675 -2.326 89 HB THR 13 HB THR 13 16.990 7.015 -2.318 90 HG1 THR 13 HG1 THR 13 16.886 4.838 -3.827 91 1HG2 THR 13 HG21 THR 13 17.202 4.752 -0.717 92 2HG2 THR 13 HG22 THR 13 15.475 5.106 -0.714 93 3HG2 THR 13 HG23 THR 13 16.628 6.337 -0.198 94 H ALA 14 HN ALA 14 14.548 8.437 -3.686 95 HA ALA 14 HA ALA 14 14.320 8.022 -6.496 96 1HB ALA 14 HB1 ALA 14 14.039 10.219 -4.651 97 2HB ALA 14 HB2 ALA 14 13.301 10.005 -6.237 98 3HB ALA 14 HB3 ALA 14 14.895 10.745 -6.101 99 H ASP 15 HN ASP 15 17.085 7.828 -4.809 100 HA ASP 15 HA ASP 15 18.742 9.178 -6.863 101 1HB ASP 15 HB2 ASP 15 20.646 8.612 -5.357 102 2HB ASP 15 HB1 ASP 15 19.411 9.567 -4.534 103 H GLY 16 HN GLY 16 17.096 6.589 -7.038 104 1HA GLY 16 HA2 GLY 16 17.297 4.637 -8.284 105 2HA GLY 16 HA1 GLY 16 18.927 5.154 -8.676 106 H ARG 17 HN ARG 17 17.416 4.473 -5.533 107 HA ARG 17 HA ARG 17 19.017 2.031 -5.185 108 1HB ARG 17 HB2 ARG 17 19.573 4.490 -3.493 109 2HB ARG 17 HB1 ARG 17 20.240 2.883 -3.204 110 1HG ARG 17 HG2 ARG 17 21.117 3.017 -5.627 111 2HG ARG 17 HG1 ARG 17 20.795 4.749 -5.503 112 1HD ARG 17 HD2 ARG 17 22.795 4.982 -4.449 113 2HD ARG 17 HD1 ARG 17 22.141 4.043 -3.107 114 HE ARG 17 HE ARG 17 23.443 2.686 -5.431 115 1HH1 ARG 17 HH11 ARG 17 22.314 1.046 -3.210 116 2HH1 ARG 17 HH12 ARG 17 23.697 0.784 -2.201 117 1HH2 ARG 17 HH21 ARG 17 25.561 3.329 -3.643 118 2HH2 ARG 17 HH22 ARG 17 25.538 2.076 -2.447 119 H CYS 18 HN CYS 18 18.816 2.546 -2.170 120 HA CYS 18 HA CYS 18 15.948 2.738 -1.683 121 1HB CYS 18 HB2 CYS 18 16.921 0.226 -2.411 122 2HB CYS 18 HB1 CYS 18 16.842 0.161 -0.650 123 H LYS 19 HN LYS 19 15.557 3.215 0.467 124 HA LYS 19 HA LYS 19 17.961 3.483 2.201 125 1HB LYS 19 HB2 LYS 19 15.506 5.016 1.794 126 2HB LYS 19 HB1 LYS 19 15.800 4.678 3.499 127 1HG LYS 19 HG2 LYS 19 18.107 5.561 3.259 128 2HG LYS 19 HG1 LYS 19 17.766 5.950 1.572 129 1HD LYS 19 HD2 LYS 19 17.445 7.956 2.914 130 2HD LYS 19 HD1 LYS 19 15.873 7.398 2.342 131 1HE LYS 19 HE2 LYS 19 15.140 6.972 4.441 132 2HE LYS 19 HE1 LYS 19 16.651 6.188 4.896 133 1HZ LYS 19 HZ1 LYS 19 17.610 8.186 5.496 134 2HZ LYS 19 HZ2 LYS 19 16.009 8.381 6.030 135 3HZ LYS 19 HZ3 LYS 19 16.521 9.116 4.586 136 HA PRO 20 HA PRO 20 16.463 0.480 5.057 137 1HB PRO 20 HB2 PRO 20 17.054 1.648 7.472 138 2HB PRO 20 HB1 PRO 20 18.281 0.963 6.393 139 1HG PRO 20 HG2 PRO 20 17.649 3.823 6.935 140 2HG PRO 20 HG1 PRO 20 19.166 3.095 6.383 141 1HD PRO 20 HD2 PRO 20 17.280 4.462 4.760 142 2HD PRO 20 HD1 PRO 20 18.649 3.487 4.186 143 H THR 21 HN THR 21 14.602 -0.048 6.317 144 HA THR 21 HA THR 21 12.517 2.035 6.383 145 HB THR 21 HB THR 21 12.434 -0.909 7.120 146 HG1 THR 21 HG1 THR 21 11.411 -1.088 5.135 147 1HG2 THR 21 HG21 THR 21 9.864 -0.126 6.592 148 2HG2 THR 21 HG22 THR 21 10.504 1.301 7.408 149 3HG2 THR 21 HG23 THR 21 10.549 -0.268 8.211 150 H PHE 22 HN PHE 22 14.790 2.319 8.205 151 HA PHE 22 HA PHE 22 15.266 2.573 10.504 152 1HB PHE 22 HB2 PHE 22 12.423 3.549 10.171 153 2HB PHE 22 HB1 PHE 22 13.317 3.739 11.681 154 HD1 PHE 22 HD1 PHE 22 15.567 4.967 11.627 155 HD2 PHE 22 HD2 PHE 22 12.809 5.039 8.334 156 HE1 PHE 22 HE1 PHE 22 16.716 6.964 10.707 157 HE2 PHE 22 HE2 PHE 22 13.957 7.036 7.416 158 HZ PHE 22 HZ PHE 22 15.911 7.998 8.601 Start of MODEL 7 1 1H GLU 0 HT1 GLU 0 22.603 -7.471 -4.407 2 2H GLU 0 HT2 GLU 0 22.434 -7.313 -2.723 3 3H GLU 0 HT3 GLU 0 23.680 -6.492 -3.535 4 HA GLU 0 HA GLU 0 22.364 -4.819 -4.191 5 1HB GLU 0 HB2 GLU 0 21.113 -6.134 -5.778 6 2HB GLU 0 HB1 GLU 0 20.230 -6.949 -4.486 7 1HG GLU 0 HG2 GLU 0 18.694 -5.308 -4.444 8 2HG GLU 0 HG1 GLU 0 19.950 -4.098 -4.185 9 H ASN 1 HN ASN 1 22.123 -3.516 -2.443 10 HA ASN 1 HA ASN 1 21.457 -2.792 -0.305 11 1HB ASN 1 HB2 ASN 1 18.979 -4.016 -1.512 12 2HB ASN 1 HB1 ASN 1 18.942 -3.297 0.097 13 1HD2 ASN 1 HD21 ASN 1 17.380 -2.025 -1.775 14 2HD2 ASN 1 HD22 ASN 1 18.097 -0.571 -2.276 15 H PHE 2 HN PHE 2 19.828 -3.860 1.631 16 HA PHE 2 HA PHE 2 20.910 -6.605 2.099 17 1HB PHE 2 HB2 PHE 2 22.320 -5.259 3.449 18 2HB PHE 2 HB1 PHE 2 20.997 -4.190 3.912 19 HD1 PHE 2 HD1 PHE 2 19.459 -4.776 5.677 20 HD2 PHE 2 HD2 PHE 2 22.502 -7.534 4.419 21 HE1 PHE 2 HE1 PHE 2 19.020 -6.172 7.679 22 HE2 PHE 2 HE2 PHE 2 22.063 -8.931 6.422 23 HZ PHE 2 HZ PHE 2 20.321 -8.249 8.052 24 H ALA 3 HN ALA 3 19.646 -7.695 3.937 25 HA ALA 3 HA ALA 3 17.583 -8.432 4.780 26 1HB ALA 3 HB1 ALA 3 15.959 -6.132 4.683 27 2HB ALA 3 HB2 ALA 3 17.591 -5.542 4.999 28 3HB ALA 3 HB3 ALA 3 16.860 -6.733 6.075 29 H GLY 4 HN GLY 4 17.751 -9.240 2.311 30 1HA GLY 4 HA2 GLY 4 16.266 -10.012 0.626 31 2HA GLY 4 HA1 GLY 4 15.044 -8.892 1.231 32 H GLY 5 HN GLY 5 17.576 -6.929 1.056 33 1HA GLY 5 HA2 GLY 5 18.627 -5.727 -0.756 34 2HA GLY 5 HA1 GLY 5 17.481 -6.469 -1.874 35 H CYS 6 HN CYS 6 16.405 -4.750 -2.750 36 HA CYS 6 HA CYS 6 15.659 -2.425 -1.131 37 1HB CYS 6 HB2 CYS 6 16.273 -2.091 -3.442 38 2HB CYS 6 HB1 CYS 6 15.033 -3.216 -3.986 39 H ALA 7 HN ALA 7 14.297 -5.438 -1.978 40 HA ALA 7 HA ALA 7 11.528 -4.942 -2.020 41 1HB ALA 7 HB1 ALA 7 12.768 -7.180 -2.297 42 2HB ALA 7 HB2 ALA 7 11.231 -7.231 -1.434 43 3HB ALA 7 HB3 ALA 7 12.748 -7.276 -0.536 44 H THR 8 HN THR 8 10.301 -6.124 0.152 45 HA THR 8 HA THR 8 9.870 -4.137 1.999 46 HB THR 8 HB THR 8 8.676 -6.339 1.960 47 HG1 THR 8 HG1 THR 8 8.206 -6.201 4.071 48 1HG2 THR 8 HG21 THR 8 10.904 -7.617 1.912 49 2HG2 THR 8 HG22 THR 8 9.633 -8.271 2.945 50 3HG2 THR 8 HG23 THR 8 10.959 -7.349 3.654 51 H GLY 9 HN GLY 9 11.309 -2.981 3.146 52 1HA GLY 9 HA2 GLY 9 12.799 -3.463 5.266 53 2HA GLY 9 HA1 GLY 9 13.812 -4.287 4.079 54 H TYR 10 HN TYR 10 13.363 -2.418 1.917 55 HA TYR 10 HA TYR 10 14.959 -0.129 2.971 56 1HB TYR 10 HB2 TYR 10 14.947 -1.646 0.398 57 2HB TYR 10 HB1 TYR 10 15.306 0.071 0.325 58 HD1 TYR 10 HD1 TYR 10 17.599 0.423 0.161 59 HD2 TYR 10 HD2 TYR 10 16.112 -2.592 2.835 60 HE1 TYR 10 HE1 TYR 10 19.907 -0.003 0.960 61 HE2 TYR 10 HE2 TYR 10 18.422 -3.018 3.636 62 HH TYR 10 HH TYR 10 21.119 -2.082 2.050 63 H LEU 11 HN LEU 11 14.577 1.754 0.995 64 HA LEU 11 HA LEU 11 11.627 2.109 0.763 65 1HB LEU 11 HB2 LEU 11 13.058 3.377 2.732 66 2HB LEU 11 HB1 LEU 11 13.119 4.564 1.429 67 HG LEU 11 HG LEU 11 10.467 3.501 1.535 68 1HD1 LEU 11 HD11 LEU 11 10.446 4.835 4.017 69 2HD1 LEU 11 HD12 LEU 11 11.761 3.663 4.120 70 3HD1 LEU 11 HD13 LEU 11 10.127 3.124 3.730 71 1HD2 LEU 11 HD21 LEU 11 11.885 6.100 1.775 72 2HD2 LEU 11 HD22 LEU 11 10.258 6.046 2.455 73 3HD2 LEU 11 HD23 LEU 11 10.516 5.655 0.755 74 H ARG 12 HN ARG 12 11.840 4.791 -0.276 75 HA ARG 12 HA ARG 12 13.086 4.125 -2.902 76 1HB ARG 12 HB2 ARG 12 10.612 4.769 -2.706 77 2HB ARG 12 HB1 ARG 12 11.177 6.402 -2.354 78 1HG ARG 12 HG2 ARG 12 12.653 5.524 -4.602 79 2HG ARG 12 HG1 ARG 12 10.974 5.079 -4.909 80 1HD ARG 12 HD2 ARG 12 12.082 7.845 -4.314 81 2HD ARG 12 HD1 ARG 12 11.189 7.323 -5.741 82 HE ARG 12 HE ARG 12 10.021 8.014 -3.127 83 1HH1 ARG 12 HH11 ARG 12 8.998 5.368 -4.400 84 2HH1 ARG 12 HH12 ARG 12 7.580 5.950 -5.206 85 1HH2 ARG 12 HH21 ARG 12 8.487 9.287 -4.961 86 2HH2 ARG 12 HH22 ARG 12 7.291 8.169 -5.525 87 H THR 13 HN THR 13 15.033 5.042 -3.295 88 HA THR 13 HA THR 13 15.592 7.702 -2.044 89 HB THR 13 HB THR 13 18.039 7.035 -2.409 90 HG1 THR 13 HG1 THR 13 18.076 4.586 -2.316 91 1HG2 THR 13 HG21 THR 13 17.012 5.034 -0.520 92 2HG2 THR 13 HG22 THR 13 16.320 6.641 -0.297 93 3HG2 THR 13 HG23 THR 13 18.068 6.417 -0.232 94 H ALA 14 HN ALA 14 15.964 9.358 -3.432 95 HA ALA 14 HA ALA 14 15.541 9.036 -6.239 96 1HB ALA 14 HB1 ALA 14 16.709 11.372 -4.716 97 2HB ALA 14 HB2 ALA 14 15.004 11.132 -5.099 98 3HB ALA 14 HB3 ALA 14 16.165 11.431 -6.393 99 H ASP 15 HN ASP 15 18.173 8.107 -4.590 100 HA ASP 15 HA ASP 15 20.175 9.001 -6.556 101 1HB ASP 15 HB2 ASP 15 21.782 7.794 -5.147 102 2HB ASP 15 HB1 ASP 15 20.780 8.840 -4.139 103 H GLY 16 HN GLY 16 17.775 7.011 -6.887 104 1HA GLY 16 HA2 GLY 16 17.392 5.252 -8.365 105 2HA GLY 16 HA1 GLY 16 19.102 5.310 -8.757 106 H ARG 17 HN ARG 17 17.555 4.842 -5.609 107 HA ARG 17 HA ARG 17 18.343 2.001 -5.542 108 1HB ARG 17 HB2 ARG 17 20.222 3.847 -4.726 109 2HB ARG 17 HB1 ARG 17 19.404 3.465 -3.213 110 1HG ARG 17 HG2 ARG 17 20.404 1.450 -3.112 111 2HG ARG 17 HG1 ARG 17 19.870 1.053 -4.746 112 1HD ARG 17 HD2 ARG 17 21.999 3.042 -4.828 113 2HD ARG 17 HD1 ARG 17 22.523 1.612 -3.937 114 HE ARG 17 HE ARG 17 21.526 0.398 -6.086 115 1HH1 ARG 17 HH11 ARG 17 24.368 1.881 -5.734 116 2HH1 ARG 17 HH12 ARG 17 24.565 2.415 -7.370 117 1HH2 ARG 17 HH21 ARG 17 21.288 1.729 -8.270 118 2HH2 ARG 17 HH22 ARG 17 22.821 2.332 -8.804 119 H CYS 18 HN CYS 18 18.298 2.159 -2.541 120 HA CYS 18 HA CYS 18 15.530 3.073 -2.042 121 1HB CYS 18 HB2 CYS 18 16.443 0.246 -1.435 122 2HB CYS 18 HB1 CYS 18 14.838 0.918 -1.155 123 H LYS 19 HN LYS 19 15.145 3.500 0.201 124 HA LYS 19 HA LYS 19 17.663 3.784 1.748 125 1HB LYS 19 HB2 LYS 19 16.341 5.801 1.562 126 2HB LYS 19 HB1 LYS 19 14.901 4.961 2.142 127 1HG LYS 19 HG2 LYS 19 17.036 4.564 4.026 128 2HG LYS 19 HG1 LYS 19 16.873 6.290 3.697 129 1HD LYS 19 HD2 LYS 19 14.239 5.300 3.910 130 2HD LYS 19 HD1 LYS 19 15.137 4.568 5.240 131 1HE LYS 19 HE2 LYS 19 15.455 7.501 4.661 132 2HE LYS 19 HE1 LYS 19 14.059 6.934 5.578 133 1HZ LYS 19 HZ1 LYS 19 16.540 5.778 6.446 134 2HZ LYS 19 HZ2 LYS 19 15.311 6.519 7.355 135 3HZ LYS 19 HZ3 LYS 19 16.508 7.466 6.607 136 HA PRO 20 HA PRO 20 16.407 0.341 4.268 137 1HB PRO 20 HB2 PRO 20 18.508 0.513 6.033 138 2HB PRO 20 HB1 PRO 20 18.627 -0.226 4.427 139 1HG PRO 20 HG2 PRO 20 19.644 2.422 5.356 140 2HG PRO 20 HG1 PRO 20 20.253 1.380 4.059 141 1HD PRO 20 HD2 PRO 20 18.674 3.693 3.699 142 2HD PRO 20 HD1 PRO 20 18.974 2.440 2.476 143 H THR 21 HN THR 21 14.889 0.435 5.851 144 HA THR 21 HA THR 21 14.678 2.857 7.524 145 HB THR 21 HB THR 21 12.604 2.078 6.598 146 HG1 THR 21 HG1 THR 21 12.046 2.665 8.560 147 1HG2 THR 21 HG21 THR 21 13.705 -0.562 7.386 148 2HG2 THR 21 HG22 THR 21 12.731 -0.120 5.984 149 3HG2 THR 21 HG23 THR 21 11.959 -0.368 7.550 150 H PHE 22 HN PHE 22 16.953 1.630 8.261 151 HA PHE 22 HA PHE 22 17.097 -0.458 10.032 152 1HB PHE 22 HB2 PHE 22 18.551 1.399 11.447 153 2HB PHE 22 HB1 PHE 22 19.158 0.490 10.066 154 HD1 PHE 22 HD1 PHE 22 20.456 1.916 8.717 155 HD2 PHE 22 HD2 PHE 22 16.751 3.381 10.323 156 HE1 PHE 22 HE1 PHE 22 20.731 4.021 7.437 157 HE2 PHE 22 HE2 PHE 22 17.027 5.485 9.046 158 HZ PHE 22 HZ PHE 22 19.018 5.807 7.602 Start of MODEL 8 1 1H GLU 0 HT1 GLU 0 19.257 -5.812 -4.345 2 2H GLU 0 HT2 GLU 0 20.458 -7.014 -4.368 3 3H GLU 0 HT3 GLU 0 20.824 -5.433 -4.873 4 HA GLU 0 HA GLU 0 21.114 -6.500 -2.334 5 1HB GLU 0 HB2 GLU 0 21.942 -4.241 -1.825 6 2HB GLU 0 HB1 GLU 0 22.511 -4.757 -3.413 7 1HG GLU 0 HG2 GLU 0 21.218 -3.230 -4.526 8 2HG GLU 0 HG1 GLU 0 19.905 -3.331 -3.350 9 H ASN 1 HN ASN 1 20.484 -4.296 -0.649 10 HA ASN 1 HA ASN 1 18.704 -3.353 0.575 11 1HB ASN 1 HB2 ASN 1 16.793 -4.367 -1.529 12 2HB ASN 1 HB1 ASN 1 16.631 -2.953 -0.484 13 1HD2 ASN 1 HD21 ASN 1 18.864 -1.481 -0.816 14 2HD2 ASN 1 HD22 ASN 1 19.153 -1.109 -2.447 15 H PHE 2 HN PHE 2 19.663 -5.890 1.197 16 HA PHE 2 HA PHE 2 19.083 -7.908 2.250 17 1HB PHE 2 HB2 PHE 2 17.277 -5.781 3.194 18 2HB PHE 2 HB1 PHE 2 16.661 -7.412 3.447 19 HD1 PHE 2 HD1 PHE 2 17.036 -8.005 5.681 20 HD2 PHE 2 HD2 PHE 2 20.141 -6.027 3.470 21 HE1 PHE 2 HE1 PHE 2 18.583 -8.293 7.599 22 HE2 PHE 2 HE2 PHE 2 21.688 -6.315 5.385 23 HZ PHE 2 HZ PHE 2 20.911 -7.448 7.449 24 H ALA 3 HN ALA 3 16.777 -9.271 2.665 25 HA ALA 3 HA ALA 3 16.043 -10.057 -0.043 26 1HB ALA 3 HB1 ALA 3 14.359 -11.337 1.861 27 2HB ALA 3 HB2 ALA 3 15.976 -11.249 2.560 28 3HB ALA 3 HB3 ALA 3 15.732 -12.026 0.996 29 H GLY 4 HN GLY 4 15.115 -7.437 1.401 30 1HA GLY 4 HA2 GLY 4 12.200 -7.760 0.900 31 2HA GLY 4 HA1 GLY 4 12.925 -6.444 1.829 32 H GLY 5 HN GLY 5 15.066 -6.653 -0.531 33 1HA GLY 5 HA2 GLY 5 15.427 -5.521 -2.557 34 2HA GLY 5 HA1 GLY 5 13.691 -5.640 -2.850 35 H CYS 6 HN CYS 6 14.626 -3.335 -3.679 36 HA CYS 6 HA CYS 6 14.753 -1.301 -1.583 37 1HB CYS 6 HB2 CYS 6 16.018 -0.878 -3.562 38 2HB CYS 6 HB1 CYS 6 14.631 -1.184 -4.603 39 H ALA 7 HN ALA 7 12.331 -2.784 -3.534 40 HA ALA 7 HA ALA 7 10.328 -0.786 -3.605 41 1HB ALA 7 HB1 ALA 7 9.756 -3.719 -3.151 42 2HB ALA 7 HB2 ALA 7 10.301 -3.096 -4.708 43 3HB ALA 7 HB3 ALA 7 8.774 -2.543 -4.022 44 H THR 8 HN THR 8 8.188 -2.237 -2.146 45 HA THR 8 HA THR 8 7.974 -0.793 0.191 46 HB THR 8 HB THR 8 6.272 -2.421 -0.762 47 HG1 THR 8 HG1 THR 8 5.342 -2.157 1.088 48 1HG2 THR 8 HG21 THR 8 8.219 -4.276 -0.490 49 2HG2 THR 8 HG22 THR 8 6.503 -4.683 -0.513 50 3HG2 THR 8 HG23 THR 8 7.352 -4.531 1.025 51 H GLY 9 HN GLY 9 9.328 -0.595 1.908 52 1HA GLY 9 HA2 GLY 9 10.183 -1.963 3.890 53 2HA GLY 9 HA1 GLY 9 10.968 -2.976 2.679 54 H TYR 10 HN TYR 10 11.757 -0.730 0.967 55 HA TYR 10 HA TYR 10 13.900 0.408 2.706 56 1HB TYR 10 HB2 TYR 10 13.902 -0.713 -0.059 57 2HB TYR 10 HB1 TYR 10 14.946 0.669 0.252 58 HD1 TYR 10 HD1 TYR 10 17.118 0.174 0.895 59 HD2 TYR 10 HD2 TYR 10 13.943 -2.484 2.030 60 HE1 TYR 10 HE1 TYR 10 18.761 -1.303 2.019 61 HE2 TYR 10 HE2 TYR 10 15.586 -3.964 3.155 62 HH TYR 10 HH TYR 10 19.054 -3.127 3.243 63 H LEU 11 HN LEU 11 14.872 2.437 1.382 64 HA LEU 11 HA LEU 11 12.660 4.098 0.306 65 1HB LEU 11 HB2 LEU 11 13.798 4.390 2.933 66 2HB LEU 11 HB1 LEU 11 14.245 5.789 1.956 67 HG LEU 11 HG LEU 11 12.057 6.087 3.133 68 1HD1 LEU 11 HD11 LEU 11 12.320 7.408 1.182 69 2HD1 LEU 11 HD12 LEU 11 10.757 6.619 0.967 70 3HD1 LEU 11 HD13 LEU 11 12.178 6.010 0.116 71 1HD2 LEU 11 HD21 LEU 11 11.589 3.501 2.644 72 2HD2 LEU 11 HD22 LEU 11 10.810 4.166 1.208 73 3HD2 LEU 11 HD23 LEU 11 10.267 4.655 2.813 74 H ARG 12 HN ARG 12 13.523 4.394 -1.704 75 HA ARG 12 HA ARG 12 16.090 4.304 -2.625 76 1HB ARG 12 HB2 ARG 12 14.004 6.357 -3.405 77 2HB ARG 12 HB1 ARG 12 15.451 5.993 -4.345 78 1HG ARG 12 HG2 ARG 12 14.459 3.487 -3.977 79 2HG ARG 12 HG1 ARG 12 12.964 4.421 -4.027 80 1HD ARG 12 HD2 ARG 12 14.868 5.264 -6.101 81 2HD ARG 12 HD1 ARG 12 14.413 3.568 -6.261 82 HE ARG 12 HE ARG 12 12.381 5.762 -6.121 83 1HH1 ARG 12 HH11 ARG 12 13.945 3.514 -8.094 84 2HH1 ARG 12 HH12 ARG 12 12.500 2.904 -8.830 85 1HH2 ARG 12 HH21 ARG 12 10.374 4.678 -6.741 86 2HH2 ARG 12 HH22 ARG 12 10.477 3.565 -8.064 87 H THR 13 HN THR 13 17.914 5.190 -1.816 88 HA THR 13 HA THR 13 17.790 7.901 -0.616 89 HB THR 13 HB THR 13 19.638 7.333 0.657 90 HG1 THR 13 HG1 THR 13 20.538 5.185 -0.799 91 1HG2 THR 13 HG21 THR 13 19.263 5.201 1.584 92 2HG2 THR 13 HG22 THR 13 18.794 4.510 0.031 93 3HG2 THR 13 HG23 THR 13 17.705 5.615 0.868 94 H ALA 14 HN ALA 14 19.349 9.498 -1.291 95 HA ALA 14 HA ALA 14 19.682 9.670 -4.111 96 1HB ALA 14 HB1 ALA 14 20.502 11.292 -1.769 97 2HB ALA 14 HB2 ALA 14 19.631 11.775 -3.225 98 3HB ALA 14 HB3 ALA 14 21.382 11.569 -3.272 99 H ASP 15 HN ASP 15 21.342 7.591 -2.296 100 HA ASP 15 HA ASP 15 23.994 8.098 -3.475 101 1HB ASP 15 HB2 ASP 15 24.731 6.196 -2.166 102 2HB ASP 15 HB1 ASP 15 23.702 7.184 -1.127 103 H GLY 16 HN GLY 16 21.253 7.183 -4.779 104 1HA GLY 16 HA2 GLY 16 20.797 6.081 -6.777 105 2HA GLY 16 HA1 GLY 16 22.479 5.584 -6.810 106 H ARG 17 HN ARG 17 20.374 5.049 -4.060 107 HA ARG 17 HA ARG 17 19.893 2.221 -4.783 108 1HB ARG 17 HB2 ARG 17 21.628 2.979 -2.403 109 2HB ARG 17 HB1 ARG 17 21.033 1.357 -2.750 110 1HG ARG 17 HG2 ARG 17 22.780 2.954 -4.640 111 2HG ARG 17 HG1 ARG 17 23.384 1.735 -3.521 112 1HD ARG 17 HD2 ARG 17 22.565 -0.018 -4.769 113 2HD ARG 17 HD1 ARG 17 21.106 0.860 -5.227 114 HE ARG 17 HE ARG 17 23.661 1.679 -6.498 115 1HH1 ARG 17 HH11 ARG 17 21.297 -0.704 -6.765 116 2HH1 ARG 17 HH12 ARG 17 20.902 -0.371 -8.418 117 1HH2 ARG 17 HH21 ARG 17 22.848 2.492 -8.585 118 2HH2 ARG 17 HH22 ARG 17 21.775 1.440 -9.446 119 H CYS 18 HN CYS 18 19.598 1.744 -1.774 120 HA CYS 18 HA CYS 18 17.418 3.573 -1.049 121 1HB CYS 18 HB2 CYS 18 16.864 0.605 -1.312 122 2HB CYS 18 HB1 CYS 18 15.712 1.880 -0.916 123 H LYS 19 HN LYS 19 16.864 3.343 1.217 124 HA LYS 19 HA LYS 19 18.911 1.779 2.742 125 1HB LYS 19 HB2 LYS 19 17.868 4.499 2.993 126 2HB LYS 19 HB1 LYS 19 17.777 3.602 4.508 127 1HG LYS 19 HG2 LYS 19 20.193 2.940 4.155 128 2HG LYS 19 HG1 LYS 19 20.235 4.076 2.805 129 1HD LYS 19 HD2 LYS 19 21.068 5.209 4.784 130 2HD LYS 19 HD1 LYS 19 19.489 5.883 4.378 131 1HE LYS 19 HE2 LYS 19 18.411 4.732 6.135 132 2HE LYS 19 HE1 LYS 19 19.746 3.595 6.327 133 1HZ LYS 19 HZ1 LYS 19 19.676 5.312 8.067 134 2HZ LYS 19 HZ2 LYS 19 19.917 6.506 6.883 135 3HZ LYS 19 HZ3 LYS 19 21.122 5.344 7.179 136 HA PRO 20 HA PRO 20 15.715 -0.435 4.792 137 1HB PRO 20 HB2 PRO 20 16.704 -0.585 7.351 138 2HB PRO 20 HB1 PRO 20 17.360 -1.514 5.993 139 1HG PRO 20 HG2 PRO 20 18.505 0.875 7.357 140 2HG PRO 20 HG1 PRO 20 19.334 -0.415 6.472 141 1HD PRO 20 HD2 PRO 20 18.767 2.184 5.488 142 2HD PRO 20 HD1 PRO 20 19.313 0.794 4.525 143 H THR 21 HN THR 21 13.723 0.181 5.581 144 HA THR 21 HA THR 21 13.516 2.805 6.939 145 HB THR 21 HB THR 21 11.998 2.212 5.028 146 HG1 THR 21 HG1 THR 21 10.548 3.412 5.955 147 1HG2 THR 21 HG21 THR 21 11.708 -0.174 6.535 148 2HG2 THR 21 HG22 THR 21 10.929 0.237 5.008 149 3HG2 THR 21 HG23 THR 21 10.138 0.626 6.535 150 H PHE 22 HN PHE 22 14.734 1.232 8.692 151 HA PHE 22 HA PHE 22 13.056 -0.458 10.294 152 1HB PHE 22 HB2 PHE 22 14.847 0.126 12.095 153 2HB PHE 22 HB1 PHE 22 15.362 -0.757 10.657 154 HD1 PHE 22 HD1 PHE 22 17.362 0.005 9.703 155 HD2 PHE 22 HD2 PHE 22 14.746 2.848 11.583 156 HE1 PHE 22 HE1 PHE 22 18.945 1.830 9.145 157 HE2 PHE 22 HE2 PHE 22 16.331 4.673 11.025 158 HZ PHE 22 HZ PHE 22 18.430 4.164 9.806 Start of MODEL 9 1 1H GLU 0 HT1 GLU 0 23.230 -4.178 -3.215 2 2H GLU 0 HT2 GLU 0 23.067 -5.272 -1.925 3 3H GLU 0 HT3 GLU 0 24.555 -4.502 -2.206 4 HA GLU 0 HA GLU 0 23.827 -3.180 -0.538 5 1HB GLU 0 HB2 GLU 0 23.041 -1.129 -1.452 6 2HB GLU 0 HB1 GLU 0 23.943 -1.890 -2.762 7 1HG GLU 0 HG2 GLU 0 21.586 -2.937 -3.354 8 2HG GLU 0 HG1 GLU 0 20.980 -1.549 -2.449 9 H ASN 1 HN ASN 1 22.169 -2.654 0.943 10 HA ASN 1 HA ASN 1 20.152 -3.025 2.084 11 1HB ASN 1 HB2 ASN 1 19.003 -3.129 -0.722 12 2HB ASN 1 HB1 ASN 1 18.114 -2.800 0.766 13 1HD2 ASN 1 HD21 ASN 1 20.031 -1.054 2.025 14 2HD2 ASN 1 HD22 ASN 1 20.120 0.375 1.114 15 H PHE 2 HN PHE 2 20.026 -4.991 3.067 16 HA PHE 2 HA PHE 2 19.492 -7.369 1.332 17 1HB PHE 2 HB2 PHE 2 21.450 -6.919 3.401 18 2HB PHE 2 HB1 PHE 2 20.368 -8.225 3.887 19 HD1 PHE 2 HD1 PHE 2 19.970 -10.155 2.282 20 HD2 PHE 2 HD2 PHE 2 23.068 -7.238 1.688 21 HE1 PHE 2 HE1 PHE 2 21.112 -11.689 0.704 22 HE2 PHE 2 HE2 PHE 2 24.209 -8.773 0.110 23 HZ PHE 2 HZ PHE 2 23.231 -10.998 -0.383 24 H ALA 3 HN ALA 3 18.764 -9.086 3.502 25 HA ALA 3 HA ALA 3 16.758 -9.722 4.559 26 1HB ALA 3 HB1 ALA 3 16.638 -6.871 5.544 27 2HB ALA 3 HB2 ALA 3 17.863 -7.992 6.141 28 3HB ALA 3 HB3 ALA 3 16.152 -8.345 6.383 29 H GLY 4 HN GLY 4 16.496 -8.738 1.854 30 1HA GLY 4 HA2 GLY 4 13.950 -8.744 1.156 31 2HA GLY 4 HA1 GLY 4 13.976 -7.162 1.941 32 H GLY 5 HN GLY 5 16.528 -6.286 1.127 33 1HA GLY 5 HA2 GLY 5 17.794 -5.742 -0.853 34 2HA GLY 5 HA1 GLY 5 16.496 -6.421 -1.835 35 H CYS 6 HN CYS 6 16.703 -4.365 -3.048 36 HA CYS 6 HA CYS 6 15.700 -1.946 -1.680 37 1HB CYS 6 HB2 CYS 6 17.446 -1.468 -3.191 38 2HB CYS 6 HB1 CYS 6 16.796 -2.537 -4.429 39 H ALA 7 HN ALA 7 14.642 -4.463 -3.817 40 HA ALA 7 HA ALA 7 12.388 -3.295 -5.037 41 1HB ALA 7 HB1 ALA 7 13.434 -5.755 -5.129 42 2HB ALA 7 HB2 ALA 7 11.764 -5.441 -5.603 43 3HB ALA 7 HB3 ALA 7 12.119 -6.082 -3.999 44 H THR 8 HN THR 8 10.153 -4.791 -4.125 45 HA THR 8 HA THR 8 8.868 -3.140 -2.352 46 HB THR 8 HB THR 8 7.942 -5.229 -3.509 47 HG1 THR 8 HG1 THR 8 6.913 -3.872 -1.813 48 1HG2 THR 8 HG21 THR 8 9.700 -6.711 -2.394 49 2HG2 THR 8 HG22 THR 8 8.043 -7.314 -2.365 50 3HG2 THR 8 HG23 THR 8 8.737 -6.572 -0.924 51 H GLY 9 HN GLY 9 9.520 -2.389 -0.413 52 1HA GLY 9 HA2 GLY 9 9.691 -3.352 2.004 53 2HA GLY 9 HA1 GLY 9 11.100 -4.194 1.358 54 H TYR 10 HN TYR 10 12.098 -2.094 -0.304 55 HA TYR 10 HA TYR 10 13.011 -0.212 1.819 56 1HB TYR 10 HB2 TYR 10 14.299 -1.368 -0.635 57 2HB TYR 10 HB1 TYR 10 14.838 0.193 -0.033 58 HD1 TYR 10 HD1 TYR 10 16.884 -0.127 1.066 59 HD2 TYR 10 HD2 TYR 10 13.652 -2.867 1.771 60 HE1 TYR 10 HE1 TYR 10 18.226 -1.259 2.816 61 HE2 TYR 10 HE2 TYR 10 14.995 -4.000 3.521 62 HH TYR 10 HH TYR 10 17.947 -4.033 3.837 63 H LEU 11 HN LEU 11 13.903 1.912 0.483 64 HA LEU 11 HA LEU 11 11.915 2.760 -1.528 65 1HB LEU 11 HB2 LEU 11 11.641 4.939 -0.131 66 2HB LEU 11 HB1 LEU 11 10.721 3.517 0.360 67 HG LEU 11 HG LEU 11 13.418 3.655 1.529 68 1HD1 LEU 11 HD11 LEU 11 12.581 5.372 3.243 69 2HD1 LEU 11 HD12 LEU 11 11.349 5.798 2.054 70 3HD1 LEU 11 HD13 LEU 11 13.058 6.006 1.668 71 1HD2 LEU 11 HD21 LEU 11 11.617 2.030 2.145 72 2HD2 LEU 11 HD22 LEU 11 10.651 3.377 2.748 73 3HD2 LEU 11 HD23 LEU 11 12.184 2.974 3.523 74 H ARG 12 HN ARG 12 13.181 3.512 -3.096 75 HA ARG 12 HA ARG 12 15.762 3.983 -3.397 76 1HB ARG 12 HB2 ARG 12 15.133 6.153 -4.730 77 2HB ARG 12 HB1 ARG 12 14.525 4.585 -5.265 78 1HG ARG 12 HG2 ARG 12 12.377 5.112 -4.756 79 2HG ARG 12 HG1 ARG 12 12.835 5.895 -3.242 80 1HD ARG 12 HD2 ARG 12 12.907 7.088 -6.035 81 2HD ARG 12 HD1 ARG 12 11.978 7.654 -4.647 82 HE ARG 12 HE ARG 12 14.658 7.785 -3.850 83 1HH1 ARG 12 HH11 ARG 12 15.407 8.469 -6.579 84 2HH1 ARG 12 HH12 ARG 12 15.117 10.174 -6.670 85 1HH2 ARG 12 HH21 ARG 12 13.095 10.249 -3.854 86 2HH2 ARG 12 HH22 ARG 12 13.809 11.182 -5.126 87 H THR 13 HN THR 13 17.234 4.767 -2.008 88 HA THR 13 HA THR 13 16.663 7.099 -0.316 89 HB THR 13 HB THR 13 19.247 6.611 0.177 90 HG1 THR 13 HG1 THR 13 19.420 4.244 -0.038 91 1HG2 THR 13 HG21 THR 13 18.345 5.923 2.116 92 2HG2 THR 13 HG22 THR 13 17.768 4.436 1.363 93 3HG2 THR 13 HG23 THR 13 16.773 5.891 1.319 94 H ALA 14 HN ALA 14 17.824 9.080 -0.500 95 HA ALA 14 HA ALA 14 18.395 9.929 -3.164 96 1HB ALA 14 HB1 ALA 14 18.023 11.889 -2.129 97 2HB ALA 14 HB2 ALA 14 19.631 11.756 -1.416 98 3HB ALA 14 HB3 ALA 14 18.227 11.132 -0.549 99 H ASP 15 HN ASP 15 20.242 7.937 -1.393 100 HA ASP 15 HA ASP 15 22.832 9.101 -2.230 101 1HB ASP 15 HB2 ASP 15 23.845 7.288 -0.919 102 2HB ASP 15 HB1 ASP 15 22.647 8.133 0.062 103 H GLY 16 HN GLY 16 20.602 7.810 -3.919 104 1HA GLY 16 HA2 GLY 16 20.568 6.636 -5.921 105 2HA GLY 16 HA1 GLY 16 22.314 6.530 -5.790 106 H ARG 17 HN ARG 17 19.896 5.375 -3.485 107 HA ARG 17 HA ARG 17 20.413 2.557 -4.228 108 1HB ARG 17 HB2 ARG 17 21.161 3.683 -1.508 109 2HB ARG 17 HB1 ARG 17 21.115 1.966 -1.908 110 1HG ARG 17 HG2 ARG 17 22.826 3.983 -3.383 111 2HG ARG 17 HG1 ARG 17 23.411 2.975 -2.059 112 1HD ARG 17 HD2 ARG 17 23.420 1.056 -3.337 113 2HD ARG 17 HD1 ARG 17 21.980 1.529 -4.238 114 HE ARG 17 HE ARG 17 23.381 2.586 -5.834 115 1HH1 ARG 17 HH11 ARG 17 25.287 0.397 -4.616 116 2HH1 ARG 17 HH12 ARG 17 26.754 1.315 -4.539 117 1HH2 ARG 17 HH21 ARG 17 25.180 4.367 -5.018 118 2HH2 ARG 17 HH22 ARG 17 26.693 3.564 -4.762 119 H CYS 18 HN CYS 18 19.424 1.994 -1.343 120 HA CYS 18 HA CYS 18 16.692 3.070 -1.460 121 1HB CYS 18 HB2 CYS 18 17.226 0.088 -1.637 122 2HB CYS 18 HB1 CYS 18 15.643 0.857 -1.530 123 H LYS 19 HN LYS 19 15.761 3.089 0.584 124 HA LYS 19 HA LYS 19 17.517 2.113 2.785 125 1HB LYS 19 HB2 LYS 19 17.161 4.191 3.589 126 2HB LYS 19 HB1 LYS 19 15.974 4.518 2.334 127 1HG LYS 19 HG2 LYS 19 14.289 3.245 3.757 128 2HG LYS 19 HG1 LYS 19 15.487 3.274 5.050 129 1HD LYS 19 HD2 LYS 19 14.397 5.723 3.634 130 2HD LYS 19 HD1 LYS 19 13.900 5.171 5.234 131 1HE LYS 19 HE2 LYS 19 16.582 5.227 5.587 132 2HE LYS 19 HE1 LYS 19 16.412 6.511 4.390 133 1HZ LYS 19 HZ1 LYS 19 14.489 7.263 5.926 134 2HZ LYS 19 HZ2 LYS 19 16.091 7.635 6.349 135 3HZ LYS 19 HZ3 LYS 19 15.289 6.341 7.102 136 HA PRO 20 HA PRO 20 14.561 -0.906 3.966 137 1HB PRO 20 HB2 PRO 20 15.067 -1.008 6.669 138 2HB PRO 20 HB1 PRO 20 16.132 -1.720 5.443 139 1HG PRO 20 HG2 PRO 20 16.496 0.792 7.019 140 2HG PRO 20 HG1 PRO 20 17.721 -0.293 6.340 141 1HD PRO 20 HD2 PRO 20 16.945 2.172 5.231 142 2HD PRO 20 HD1 PRO 20 17.832 0.893 4.377 143 H THR 21 HN THR 21 12.390 -0.883 4.545 144 HA THR 21 HA THR 21 11.293 1.643 5.589 145 HB THR 21 HB THR 21 9.850 -0.903 4.791 146 HG1 THR 21 HG1 THR 21 9.637 0.059 2.814 147 1HG2 THR 21 HG21 THR 21 8.376 1.529 4.419 148 2HG2 THR 21 HG22 THR 21 8.982 1.479 6.074 149 3HG2 THR 21 HG23 THR 21 7.988 0.159 5.458 150 H PHE 22 HN PHE 22 12.714 0.770 7.630 151 HA PHE 22 HA PHE 22 11.531 -1.192 9.337 152 1HB PHE 22 HB2 PHE 22 12.743 0.217 11.163 153 2HB PHE 22 HB1 PHE 22 13.723 -0.568 9.924 154 HD1 PHE 22 HD1 PHE 22 15.243 0.723 8.672 155 HD2 PHE 22 HD2 PHE 22 11.926 2.670 10.586 156 HE1 PHE 22 HE1 PHE 22 16.131 2.929 7.968 157 HE2 PHE 22 HE2 PHE 22 12.814 4.876 9.882 158 HZ PHE 22 HZ PHE 22 14.916 5.005 8.573 Start of MODEL 10 1 1H GLU 0 HT1 GLU 0 20.663 -7.032 -3.537 2 2H GLU 0 HT2 GLU 0 22.168 -6.457 -4.081 3 3H GLU 0 HT3 GLU 0 20.942 -6.825 -5.197 4 HA GLU 0 HA GLU 0 21.473 -4.360 -4.231 5 1HB GLU 0 HB2 GLU 0 20.188 -4.805 -6.246 6 2HB GLU 0 HB1 GLU 0 18.887 -5.530 -5.300 7 1HG GLU 0 HG2 GLU 0 18.149 -3.314 -5.742 8 2HG GLU 0 HG1 GLU 0 18.740 -3.270 -4.081 9 H ASN 1 HN ASN 1 21.531 -4.011 -2.000 10 HA ASN 1 HA ASN 1 20.657 -3.573 0.133 11 1HB ASN 1 HB2 ASN 1 18.155 -3.501 -1.565 12 2HB ASN 1 HB1 ASN 1 18.115 -3.199 0.173 13 1HD2 ASN 1 HD21 ASN 1 19.412 -1.954 -2.910 14 2HD2 ASN 1 HD22 ASN 1 19.765 -0.401 -2.323 15 H PHE 2 HN PHE 2 20.463 -5.031 1.778 16 HA PHE 2 HA PHE 2 19.154 -7.638 1.151 17 1HB PHE 2 HB2 PHE 2 20.787 -7.173 3.627 18 2HB PHE 2 HB1 PHE 2 20.579 -8.652 2.690 19 HD1 PHE 2 HD1 PHE 2 21.504 -8.598 0.230 20 HD2 PHE 2 HD2 PHE 2 22.723 -5.891 3.335 21 HE1 PHE 2 HE1 PHE 2 23.590 -8.101 -1.020 22 HE2 PHE 2 HE2 PHE 2 24.805 -5.393 2.084 23 HZ PHE 2 HZ PHE 2 25.239 -6.499 -0.092 24 H ALA 3 HN ALA 3 18.838 -8.330 3.962 25 HA ALA 3 HA ALA 3 17.179 -8.176 5.615 26 1HB ALA 3 HB1 ALA 3 16.747 -5.284 5.301 27 2HB ALA 3 HB2 ALA 3 18.441 -5.729 5.513 28 3HB ALA 3 HB3 ALA 3 17.246 -6.198 6.723 29 H GLY 4 HN GLY 4 16.415 -8.443 2.731 30 1HA GLY 4 HA2 GLY 4 13.947 -8.914 2.352 31 2HA GLY 4 HA1 GLY 4 13.670 -7.264 2.912 32 H GLY 5 HN GLY 5 15.979 -6.132 1.552 33 1HA GLY 5 HA2 GLY 5 16.756 -6.010 -0.817 34 2HA GLY 5 HA1 GLY 5 15.119 -6.463 -1.295 35 H CYS 6 HN CYS 6 15.861 -4.267 -2.512 36 HA CYS 6 HA CYS 6 15.389 -1.854 -0.935 37 1HB CYS 6 HB2 CYS 6 16.883 -1.605 -2.740 38 2HB CYS 6 HB1 CYS 6 15.796 -2.397 -3.874 39 H ALA 7 HN ALA 7 13.552 -4.030 -2.917 40 HA ALA 7 HA ALA 7 11.296 -2.386 -3.499 41 1HB ALA 7 HB1 ALA 7 10.112 -4.432 -3.930 42 2HB ALA 7 HB2 ALA 7 11.198 -5.350 -2.888 43 3HB ALA 7 HB3 ALA 7 11.782 -4.706 -4.422 44 H THR 8 HN THR 8 9.380 -4.339 -2.095 45 HA THR 8 HA THR 8 8.485 -2.737 -0.014 46 HB THR 8 HB THR 8 8.412 -5.746 -0.309 47 HG1 THR 8 HG1 THR 8 6.155 -4.158 -0.376 48 1HG2 THR 8 HG21 THR 8 6.347 -5.054 1.395 49 2HG2 THR 8 HG22 THR 8 7.688 -4.070 1.983 50 3HG2 THR 8 HG23 THR 8 7.858 -5.822 1.881 51 H GLY 9 HN GLY 9 9.195 -2.265 2.039 52 1HA GLY 9 HA2 GLY 9 10.223 -2.989 4.155 53 2HA GLY 9 HA1 GLY 9 11.312 -4.012 3.217 54 H TYR 10 HN TYR 10 12.039 -2.100 1.231 55 HA TYR 10 HA TYR 10 13.732 -0.310 2.901 56 1HB TYR 10 HB2 TYR 10 14.168 -1.846 0.428 57 2HB TYR 10 HB1 TYR 10 14.740 -0.189 0.335 58 HD1 TYR 10 HD1 TYR 10 16.672 0.528 1.494 59 HD2 TYR 10 HD2 TYR 10 14.939 -3.301 2.367 60 HE1 TYR 10 HE1 TYR 10 18.656 -0.056 2.860 61 HE2 TYR 10 HE2 TYR 10 16.924 -3.888 3.733 62 HH TYR 10 HH TYR 10 19.801 -1.983 3.703 63 H LEU 11 HN LEU 11 14.445 1.590 1.012 64 HA LEU 11 HA LEU 11 11.925 2.776 -0.012 65 1HB LEU 11 HB2 LEU 11 12.887 3.545 2.439 66 2HB LEU 11 HB1 LEU 11 13.703 4.688 1.374 67 HG LEU 11 HG LEU 11 11.617 5.701 1.978 68 1HD1 LEU 11 HD11 LEU 11 10.401 5.717 -0.231 69 2HD1 LEU 11 HD12 LEU 11 11.470 4.420 -0.766 70 3HD1 LEU 11 HD13 LEU 11 12.137 6.002 -0.364 71 1HD2 LEU 11 HD21 LEU 11 9.636 4.572 2.249 72 2HD2 LEU 11 HD22 LEU 11 10.719 3.195 2.446 73 3HD2 LEU 11 HD23 LEU 11 9.946 3.492 0.890 74 H ARG 12 HN ARG 12 12.601 2.741 -2.139 75 HA ARG 12 HA ARG 12 15.038 2.862 -3.314 76 1HB ARG 12 HB2 ARG 12 12.931 2.834 -4.592 77 2HB ARG 12 HB1 ARG 12 12.675 4.537 -4.205 78 1HG ARG 12 HG2 ARG 12 15.332 4.153 -5.270 79 2HG ARG 12 HG1 ARG 12 14.134 3.489 -6.381 80 1HD ARG 12 HD2 ARG 12 13.858 6.261 -5.164 81 2HD ARG 12 HD1 ARG 12 14.674 5.981 -6.701 82 HE ARG 12 HE ARG 12 11.787 5.360 -6.219 83 1HH1 ARG 12 HH11 ARG 12 13.458 7.626 -7.804 84 2HH1 ARG 12 HH12 ARG 12 12.979 7.196 -9.411 85 1HH2 ARG 12 HH21 ARG 12 11.599 4.157 -8.469 86 2HH2 ARG 12 HH22 ARG 12 11.926 5.230 -9.788 87 H THR 13 HN THR 13 16.773 4.051 -2.832 88 HA THR 13 HA THR 13 16.414 6.927 -2.143 89 HB THR 13 HB THR 13 18.803 6.713 -1.313 90 HG1 THR 13 HG1 THR 13 19.477 4.529 -0.995 91 1HG2 THR 13 HG21 THR 13 16.353 5.712 -0.183 92 2HG2 THR 13 HG22 THR 13 17.712 6.479 0.638 93 3HG2 THR 13 HG23 THR 13 17.704 4.733 0.387 94 H ALA 14 HN ALA 14 17.108 8.442 -3.578 95 HA ALA 14 HA ALA 14 18.043 7.669 -6.177 96 1HB ALA 14 HB1 ALA 14 16.697 9.727 -5.717 97 2HB ALA 14 HB2 ALA 14 18.152 10.043 -6.663 98 3HB ALA 14 HB3 ALA 14 18.118 10.429 -4.942 99 H ASP 15 HN ASP 15 19.753 7.538 -3.448 100 HA ASP 15 HA ASP 15 22.230 8.787 -4.365 101 1HB ASP 15 HB2 ASP 15 23.218 7.829 -2.354 102 2HB ASP 15 HB1 ASP 15 21.657 8.534 -1.930 103 H GLY 16 HN GLY 16 20.565 6.158 -5.388 104 1HA GLY 16 HA2 GLY 16 21.375 4.680 -7.068 105 2HA GLY 16 HA1 GLY 16 22.981 4.899 -6.403 106 H ARG 17 HN ARG 17 20.345 4.314 -4.223 107 HA ARG 17 HA ARG 17 20.717 1.407 -4.147 108 1HB ARG 17 HB2 ARG 17 21.807 3.148 -1.907 109 2HB ARG 17 HB1 ARG 17 21.567 1.406 -1.779 110 1HG ARG 17 HG2 ARG 17 23.004 1.271 -3.939 111 2HG ARG 17 HG1 ARG 17 23.515 2.905 -3.510 112 1HD ARG 17 HD2 ARG 17 23.755 1.572 -1.092 113 2HD ARG 17 HD1 ARG 17 24.229 0.327 -2.247 114 HE ARG 17 HE ARG 17 25.884 2.070 -3.131 115 1HH1 ARG 17 HH21 ARG 17 25.520 1.139 0.045 116 2HH1 ARG 17 HH22 ARG 17 26.450 2.431 0.729 117 1HH2 ARG 17 HH11 ARG 17 26.703 4.179 -2.254 118 2HH2 ARG 17 HH12 ARG 17 27.122 4.151 -0.574 119 H CYS 18 HN CYS 18 19.901 1.446 -1.231 120 HA CYS 18 HA CYS 18 17.242 2.739 -1.432 121 1HB CYS 18 HB2 CYS 18 17.577 0.046 -2.021 122 2HB CYS 18 HB1 CYS 18 17.068 0.032 -0.332 123 H LYS 19 HN LYS 19 16.172 2.879 0.664 124 HA LYS 19 HA LYS 19 18.125 2.736 2.932 125 1HB LYS 19 HB2 LYS 19 17.606 5.009 2.737 126 2HB LYS 19 HB1 LYS 19 15.954 4.689 2.215 127 1HG LYS 19 HG2 LYS 19 15.212 4.252 4.401 128 2HG LYS 19 HG1 LYS 19 16.841 3.930 4.993 129 1HD LYS 19 HD2 LYS 19 16.939 6.071 5.685 130 2HD LYS 19 HD1 LYS 19 16.910 6.562 3.991 131 1HE LYS 19 HE2 LYS 19 14.758 7.257 4.117 132 2HE LYS 19 HE1 LYS 19 14.263 5.831 5.029 133 1HZ LYS 19 HZ1 LYS 19 15.763 8.113 6.191 134 2HZ LYS 19 HZ2 LYS 19 15.091 6.797 7.030 135 3HZ LYS 19 HZ3 LYS 19 14.078 7.938 6.284 136 HA PRO 20 HA PRO 20 15.332 -0.271 4.583 137 1HB PRO 20 HB2 PRO 20 16.452 -0.414 7.093 138 2HB PRO 20 HB1 PRO 20 17.141 -1.198 5.660 139 1HG PRO 20 HG2 PRO 20 18.053 1.271 7.072 140 2HG PRO 20 HG1 PRO 20 18.995 0.106 6.126 141 1HD PRO 20 HD2 PRO 20 18.140 2.633 5.218 142 2HD PRO 20 HD1 PRO 20 18.723 1.308 4.189 143 H THR 21 HN THR 21 13.433 -0.220 5.820 144 HA THR 21 HA THR 21 12.649 2.412 6.872 145 HB THR 21 HB THR 21 10.951 -0.062 7.075 146 HG1 THR 21 HG1 THR 21 11.432 1.490 4.751 147 1HG2 THR 21 HG21 THR 21 9.404 1.975 6.151 148 2HG2 THR 21 HG22 THR 21 10.622 2.879 7.052 149 3HG2 THR 21 HG23 THR 21 9.659 1.643 7.865 150 H PHE 22 HN PHE 22 14.668 1.589 8.469 151 HA PHE 22 HA PHE 22 15.244 1.022 10.676 152 1HB PHE 22 HB2 PHE 22 12.377 1.762 11.296 153 2HB PHE 22 HB1 PHE 22 13.786 1.921 12.344 154 HD1 PHE 22 HD1 PHE 22 11.608 3.765 10.348 155 HD2 PHE 22 HD2 PHE 22 15.814 3.308 11.096 156 HE1 PHE 22 HE1 PHE 22 12.014 6.049 9.468 157 HE2 PHE 22 HE2 PHE 22 16.218 5.591 10.220 158 HZ PHE 22 HZ PHE 22 14.320 6.962 9.406
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