NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
630492 | 6cow | 30435 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLU 1 HT1 GLU 1 48.586 21.557 -12.489 2 H2 GLU 1 HT2 GLU 1 47.171 21.311 -13.394 3 H3 GLU 1 HT3 GLU 1 48.611 21.756 -14.177 4 HA GLU 1 HA GLU 1 49.354 19.717 -14.290 5 HB2 GLU 1 HB2 GLU 1 48.269 19.338 -11.412 6 HB3 GLU 1 HB1 GLU 1 49.135 18.035 -12.312 7 HG2 GLU 1 HG2 GLU 1 51.196 19.492 -12.469 8 HG3 GLU 1 HG1 GLU 1 50.341 20.806 -11.572 9 H MET 2 HN MET 2 48.031 19.155 -16.044 10 HA MET 2 HA MET 2 45.546 17.708 -15.353 11 HB2 MET 2 HB2 MET 2 46.175 19.418 -17.855 12 HB3 MET 2 HB1 MET 2 44.719 18.370 -17.690 13 HG2 MET 2 HG2 MET 2 43.968 19.717 -15.720 14 HG3 MET 2 HG1 MET 2 45.410 20.774 -15.889 15 HE1 MET 2 HE1 MET 2 42.403 23.056 -16.920 16 HE2 MET 2 HE2 MET 2 43.810 22.810 -15.828 17 HE3 MET 2 HE3 MET 2 42.388 21.714 -15.725 18 H ARG 3 HN ARG 3 48.686 17.121 -15.936 19 HA ARG 3 HA ARG 3 48.109 14.824 -17.694 20 HB2 ARG 3 HB2 ARG 3 50.627 16.624 -17.745 21 HB3 ARG 3 HB1 ARG 3 50.526 15.016 -18.554 22 HG2 ARG 3 HG2 ARG 3 48.652 15.859 -19.997 23 HG3 ARG 3 HG1 ARG 3 48.758 17.467 -19.197 24 HD2 ARG 3 HD2 ARG 3 51.126 17.741 -20.054 25 HD3 ARG 3 HD1 ARG 3 51.004 16.118 -20.873 26 HE ARG 3 HE ARG 3 48.763 17.728 -21.714 27 HH11 ARG 3 HH11 ARG 3 52.351 17.636 -22.086 28 HH12 ARG 3 HH12 ARG 3 52.340 18.419 -23.630 29 HH21 ARG 3 HH21 ARG 3 48.808 18.780 -23.801 30 HH22 ARG 3 HH22 ARG 3 50.310 19.075 -24.611 31 H LEU 4 HN LEU 4 49.549 12.988 -17.328 32 HA LEU 4 HA LEU 4 50.614 11.499 -16.163 33 HB2 LEU 4 HB2 LEU 4 51.593 13.658 -14.184 34 HB3 LEU 4 HB1 LEU 4 52.154 11.953 -14.204 35 HG LEU 4 HG LEU 4 52.534 13.944 -16.535 36 HD11 LEU 4 HD11 LEU 4 54.926 14.096 -15.839 37 HD12 LEU 4 HD12 LEU 4 54.593 13.043 -14.410 38 HD13 LEU 4 HD13 LEU 4 53.827 14.673 -14.529 39 HD21 LEU 4 HD21 LEU 4 54.412 12.124 -17.138 40 HD22 LEU 4 HD22 LEU 4 52.700 11.838 -17.602 41 HD23 LEU 4 HD23 LEU 4 53.385 11.012 -16.151 42 H SER 5 HN SER 5 47.825 12.831 -15.369 43 HA SER 5 HA SER 5 47.496 11.653 -12.736 44 HB2 SER 5 HB2 SER 5 45.131 12.502 -12.858 45 HB3 SER 5 HB1 SER 5 46.314 13.817 -13.201 46 HG SER 5 HG SER 5 45.523 12.402 -15.419 47 H LYS 6 HN LYS 6 47.364 10.686 -16.051 48 HA LYS 6 HA LYS 6 45.333 8.635 -15.724 49 HB2 LYS 6 HB2 LYS 6 47.278 9.266 -18.038 50 HB3 LYS 6 HB1 LYS 6 45.924 8.073 -18.109 51 HG2 LYS 6 HG2 LYS 6 44.267 9.915 -17.712 52 HG3 LYS 6 HG1 LYS 6 45.604 11.114 -17.623 53 HD2 LYS 6 HD2 LYS 6 46.247 10.553 -19.989 54 HD3 LYS 6 HD1 LYS 6 44.878 9.389 -20.069 55 HE2 LYS 6 HE2 LYS 6 43.238 11.273 -19.712 56 HE3 LYS 6 HE1 LYS 6 44.612 12.449 -19.596 57 HZ1 LYS 6 HZ1 LYS 6 43.303 11.473 -21.871 58 HZ2 LYS 6 HZ2 LYS 6 44.919 10.958 -21.942 59 HZ3 LYS 6 HZ3 LYS 6 44.561 12.608 -21.761 60 H PHE 7 HN PHE 7 48.767 9.100 -15.272 61 HA PHE 7 HA PHE 7 49.648 6.381 -15.580 62 HB2 PHE 7 HB2 PHE 7 50.803 9.016 -14.498 63 HB3 PHE 7 HB1 PHE 7 51.643 7.477 -14.075 64 HD1 PHE 7 HD1 PHE 7 50.374 9.400 -17.127 65 HD2 PHE 7 HD2 PHE 7 53.315 6.724 -15.530 66 HE1 PHE 7 HE1 PHE 7 51.627 9.501 -19.214 67 HE2 PHE 7 HE2 PHE 7 54.541 6.861 -17.633 68 HZ PHE 7 HZ PHE 7 53.706 8.242 -19.471 69 H PHE 8 HN PHE 8 48.310 8.519 -13.236 70 HA PHE 8 HA PHE 8 49.046 6.932 -10.956 71 HB2 PHE 8 HB2 PHE 8 48.473 9.710 -11.715 72 HB3 PHE 8 HB1 PHE 8 47.407 9.204 -10.349 73 HD1 PHE 8 HD1 PHE 8 50.916 8.255 -11.262 74 HD2 PHE 8 HD2 PHE 8 48.376 10.151 -8.378 75 HE1 PHE 8 HE1 PHE 8 52.849 8.784 -9.920 76 HE2 PHE 8 HE2 PHE 8 50.351 10.626 -6.989 77 HZ PHE 8 HZ PHE 8 52.591 9.951 -7.753 78 H ARG 9 HN ARG 9 46.544 7.231 -13.224 79 HA ARG 9 HA ARG 9 44.519 6.365 -11.384 80 HB2 ARG 9 HB2 ARG 9 44.028 7.889 -13.388 81 HB3 ARG 9 HB1 ARG 9 44.644 6.626 -14.487 82 HG2 ARG 9 HG2 ARG 9 42.263 6.607 -14.632 83 HG3 ARG 9 HG1 ARG 9 42.737 5.127 -13.744 84 HD2 ARG 9 HD2 ARG 9 42.119 6.230 -11.562 85 HD3 ARG 9 HD1 ARG 9 41.643 7.733 -12.466 86 HE ARG 9 HE ARG 9 40.181 5.618 -13.665 87 HH11 ARG 9 HH11 ARG 9 40.436 7.062 -10.366 88 HH12 ARG 9 HH12 ARG 9 38.816 6.649 -9.919 89 HH21 ARG 9 HH21 ARG 9 38.006 5.079 -13.003 90 HH22 ARG 9 HH22 ARG 9 37.426 5.512 -11.430 91 H ASP 10 HN ASP 10 46.988 5.071 -13.604 92 HA ASP 10 HA ASP 10 45.706 2.451 -13.465 93 HB2 ASP 10 HB2 ASP 10 48.392 3.300 -14.739 94 HB3 ASP 10 HB1 ASP 10 47.667 1.655 -14.882 95 H PHE 11 HN PHE 11 48.325 4.232 -11.853 96 HA PHE 11 HA PHE 11 49.375 1.844 -10.751 97 HB2 PHE 11 HB2 PHE 11 51.311 2.980 -10.776 98 HB3 PHE 11 HB1 PHE 11 50.407 4.453 -11.240 99 HD1 PHE 11 HD1 PHE 11 51.503 2.516 -8.120 100 HD2 PHE 11 HD2 PHE 11 50.189 6.123 -9.910 101 HE1 PHE 11 HE1 PHE 11 51.685 3.681 -5.981 102 HE2 PHE 11 HE2 PHE 11 50.389 7.248 -7.833 103 HZ PHE 11 HZ PHE 11 51.080 6.081 -5.836 104 H ILE 12 HN ILE 12 47.438 4.495 -9.378 105 HA ILE 12 HA ILE 12 47.634 3.485 -6.745 106 HB ILE 12 HB ILE 12 45.752 5.332 -8.201 107 HG12 ILE 12 HG12 ILE 12 47.969 5.781 -6.141 108 HG13 ILE 12 HG11 ILE 12 48.090 5.863 -7.929 109 HG21 ILE 12 HG21 ILE 12 44.976 6.071 -5.758 110 HG22 ILE 12 HG22 ILE 12 45.671 4.517 -5.173 111 HG23 ILE 12 HG23 ILE 12 44.302 4.511 -6.343 112 HD11 ILE 12 HD11 ILE 12 47.946 8.075 -6.940 113 HD12 ILE 12 HD12 ILE 12 46.329 7.686 -6.236 114 HD13 ILE 12 HD13 ILE 12 46.539 7.727 -8.037 115 H LEU 13 HN LEU 13 45.547 2.786 -9.504 116 HA LEU 13 HA LEU 13 43.439 1.676 -7.906 117 HB2 LEU 13 HB2 LEU 13 44.171 1.871 -10.806 118 HB3 LEU 13 HB1 LEU 13 42.759 0.865 -10.326 119 HG LEU 13 HG LEU 13 42.330 3.253 -11.066 120 HD11 LEU 13 HD11 LEU 13 40.592 1.913 -9.910 121 HD12 LEU 13 HD12 LEU 13 40.439 3.668 -9.528 122 HD13 LEU 13 HD13 LEU 13 41.162 2.543 -8.320 123 HD21 LEU 13 HD21 LEU 13 42.577 5.217 -9.651 124 HD22 LEU 13 HD22 LEU 13 44.202 4.447 -9.781 125 HD23 LEU 13 HD23 LEU 13 43.212 4.249 -8.277 126 H GLN 14 HN GLN 14 46.443 0.362 -8.985 127 HA GLN 14 HA GLN 14 45.531 -2.413 -8.911 128 HB2 GLN 14 HB2 GLN 14 48.323 -1.150 -9.223 129 HB3 GLN 14 HB1 GLN 14 48.064 -2.934 -9.135 130 HG2 GLN 14 HG2 GLN 14 46.621 -2.851 -11.185 131 HG3 GLN 14 HG1 GLN 14 46.838 -1.066 -11.289 132 HE21 GLN 14 HE21 GLN 14 49.097 -0.218 -11.749 133 HE22 GLN 14 HE22 GLN 14 50.258 -1.240 -12.527 134 H ARG 15 HN ARG 15 46.070 -0.126 -6.480 135 HA ARG 15 HA ARG 15 47.175 -2.132 -4.606 136 HB2 ARG 15 HB2 ARG 15 47.471 0.904 -4.818 137 HB3 ARG 15 HB1 ARG 15 47.452 0.193 -3.176 138 HG2 ARG 15 HG2 ARG 15 49.741 0.317 -3.667 139 HG3 ARG 15 HG1 ARG 15 49.349 -1.404 -3.996 140 HD2 ARG 15 HD2 ARG 15 49.373 -1.012 -6.446 141 HD3 ARG 15 HD1 ARG 15 49.524 0.785 -6.199 142 HE ARG 15 HE ARG 15 51.719 -0.407 -4.827 143 HH11 ARG 15 HH11 ARG 15 50.514 -0.235 -8.227 144 HH12 ARG 15 HH12 ARG 15 52.096 -0.284 -8.928 145 HH21 ARG 15 HH21 ARG 15 53.833 -0.467 -5.834 146 HH22 ARG 15 HH22 ARG 15 53.994 -0.417 -7.557 147 H LYS 16 HN LYS 16 44.350 -1.840 -5.665 148 HA LYS 16 HA LYS 16 42.977 -1.166 -3.137 149 HB2 LYS 16 HB2 LYS 16 41.902 -1.090 -6.013 150 HB3 LYS 16 HB1 LYS 16 40.927 -0.800 -4.520 151 HG2 LYS 16 HG2 LYS 16 42.778 1.070 -4.016 152 HG3 LYS 16 HG1 LYS 16 43.113 0.934 -5.775 153 HD2 LYS 16 HD2 LYS 16 40.690 1.406 -6.255 154 HD3 LYS 16 HD1 LYS 16 40.394 1.535 -4.483 155 HE2 LYS 16 HE2 LYS 16 41.987 3.514 -4.376 156 HE3 LYS 16 HE1 LYS 16 42.230 3.391 -6.169 157 HZ1 LYS 16 HZ1 LYS 16 40.358 4.460 -6.500 158 HZ2 LYS 16 HZ2 LYS 16 40.290 4.794 -4.838 159 HZ3 LYS 16 HZ3 LYS 16 39.465 3.451 -5.468 160 H LYS 17 HN LYS 17 44.356 -3.536 -3.341 161 HA LYS 17 HA LYS 17 42.760 -5.619 -4.433 162 HB2 LYS 17 HB2 LYS 17 44.427 -7.133 -3.258 163 HB3 LYS 17 HB1 LYS 17 45.182 -5.904 -4.325 164 HG2 LYS 17 HG2 LYS 17 45.656 -4.451 -2.290 165 HG3 LYS 17 HG1 LYS 17 44.964 -5.735 -1.241 166 HD2 LYS 17 HD2 LYS 17 46.727 -7.332 -2.052 167 HD3 LYS 17 HD1 LYS 17 47.405 -6.032 -3.098 168 HE2 LYS 17 HE2 LYS 17 47.941 -4.652 -1.059 169 HE3 LYS 17 HE1 LYS 17 47.241 -5.943 0.003 170 HZ1 LYS 17 HZ1 LYS 17 49.321 -6.699 -1.921 171 HZ2 LYS 17 HZ2 LYS 17 48.992 -7.287 -0.363 172 HZ3 LYS 17 HZ3 LYS 17 49.779 -5.795 -0.559 Start of MODEL 2 1 H1 GLU 1 HT1 GLU 1 50.845 21.843 -14.917 2 H2 GLU 1 HT2 GLU 1 50.029 21.699 -13.435 3 H3 GLU 1 HT3 GLU 1 49.397 22.694 -14.659 4 HA GLU 1 HA GLU 1 48.908 20.004 -14.167 5 HB2 GLU 1 HB2 GLU 1 48.051 21.958 -16.414 6 HB3 GLU 1 HB1 GLU 1 47.372 20.292 -16.279 7 HG2 GLU 1 HG2 GLU 1 46.471 20.825 -13.977 8 HG3 GLU 1 HG1 GLU 1 47.145 22.498 -14.098 9 H MET 2 HN MET 2 50.311 18.334 -14.655 10 HA MET 2 HA MET 2 51.694 18.417 -17.254 11 HB2 MET 2 HB2 MET 2 52.169 16.678 -14.746 12 HB3 MET 2 HB1 MET 2 53.081 16.495 -16.289 13 HG2 MET 2 HG2 MET 2 53.928 18.841 -16.064 14 HG3 MET 2 HG1 MET 2 53.033 19.022 -14.520 15 HE1 MET 2 HE1 MET 2 55.223 19.860 -13.440 16 HE2 MET 2 HE2 MET 2 56.111 19.609 -14.983 17 HE3 MET 2 HE3 MET 2 56.790 18.978 -13.443 18 H ARG 3 HN ARG 3 48.837 17.208 -15.816 19 HA ARG 3 HA ARG 3 47.324 15.716 -16.317 20 HB2 ARG 3 HB2 ARG 3 48.677 15.506 -19.083 21 HB3 ARG 3 HB1 ARG 3 47.090 14.760 -18.678 22 HG2 ARG 3 HG2 ARG 3 46.072 16.954 -18.267 23 HG3 ARG 3 HG1 ARG 3 47.646 17.792 -18.446 24 HD2 ARG 3 HD2 ARG 3 46.287 16.194 -20.742 25 HD3 ARG 3 HD1 ARG 3 46.097 17.984 -20.486 26 HE ARG 3 HE ARG 3 48.916 17.379 -20.530 27 HH11 ARG 3 HH11 ARG 3 46.094 17.399 -22.778 28 HH12 ARG 3 HH12 ARG 3 47.055 17.693 -24.188 29 HH21 ARG 3 HH21 ARG 3 50.163 17.775 -22.462 30 HH22 ARG 3 HH22 ARG 3 49.388 17.907 -24.005 31 H LEU 4 HN LEU 4 48.743 14.592 -14.553 32 HA LEU 4 HA LEU 4 49.517 11.939 -15.578 33 HB2 LEU 4 HB2 LEU 4 50.491 13.350 -13.010 34 HB3 LEU 4 HB1 LEU 4 50.978 11.700 -13.541 35 HG LEU 4 HG LEU 4 51.607 14.308 -15.072 36 HD11 LEU 4 HD11 LEU 4 52.810 14.221 -12.887 37 HD12 LEU 4 HD12 LEU 4 53.953 14.038 -14.269 38 HD13 LEU 4 HD13 LEU 4 53.472 12.592 -13.300 39 HD21 LEU 4 HD21 LEU 4 52.297 11.362 -15.657 40 HD22 LEU 4 HD22 LEU 4 53.397 12.685 -16.204 41 HD23 LEU 4 HD23 LEU 4 51.692 12.644 -16.776 42 H SER 5 HN SER 5 46.765 13.017 -14.913 43 HA SER 5 HA SER 5 46.131 11.754 -12.380 44 HB2 SER 5 HB2 SER 5 44.329 13.102 -14.502 45 HB3 SER 5 HB1 SER 5 43.738 12.460 -12.913 46 HG SER 5 HG SER 5 45.906 14.239 -12.988 47 H LYS 6 HN LYS 6 46.242 10.870 -15.792 48 HA LYS 6 HA LYS 6 44.337 8.662 -15.524 49 HB2 LYS 6 HB2 LYS 6 46.233 9.459 -17.836 50 HB3 LYS 6 HB1 LYS 6 44.946 8.195 -17.918 51 HG2 LYS 6 HG2 LYS 6 43.199 9.959 -17.479 52 HG3 LYS 6 HG1 LYS 6 44.484 11.216 -17.428 53 HD2 LYS 6 HD2 LYS 6 45.117 10.597 -19.810 54 HD3 LYS 6 HD1 LYS 6 43.741 9.445 -19.841 55 HE2 LYS 6 HE2 LYS 6 43.458 12.506 -19.375 56 HE3 LYS 6 HE1 LYS 6 43.226 11.676 -20.964 57 HZ1 LYS 6 HZ1 LYS 6 41.124 11.722 -20.225 58 HZ2 LYS 6 HZ2 LYS 6 41.536 11.695 -18.578 59 HZ3 LYS 6 HZ3 LYS 6 41.578 10.261 -19.487 60 H PHE 7 HN PHE 7 47.703 9.376 -15.017 61 HA PHE 7 HA PHE 7 48.814 6.765 -15.444 62 HB2 PHE 7 HB2 PHE 7 49.714 9.416 -14.175 63 HB3 PHE 7 HB1 PHE 7 50.694 7.932 -13.877 64 HD1 PHE 7 HD1 PHE 7 49.259 10.000 -16.749 65 HD2 PHE 7 HD2 PHE 7 52.400 7.422 -15.400 66 HE1 PHE 7 HE1 PHE 7 50.492 10.397 -18.811 67 HE2 PHE 7 HE2 PHE 7 53.604 7.847 -17.477 68 HZ PHE 7 HZ PHE 7 52.659 9.329 -19.181 69 H PHE 8 HN PHE 8 47.270 8.653 -12.987 70 HA PHE 8 HA PHE 8 48.163 7.021 -10.794 71 HB2 PHE 8 HB2 PHE 8 47.267 9.751 -11.404 72 HB3 PHE 8 HB1 PHE 8 46.302 9.055 -10.055 73 HD1 PHE 8 HD1 PHE 8 49.880 8.541 -11.038 74 HD2 PHE 8 HD2 PHE 8 47.186 10.062 -8.074 75 HE1 PHE 8 HE1 PHE 8 51.763 9.230 -9.689 76 HE2 PHE 8 HE2 PHE 8 49.113 10.696 -6.683 77 HZ PHE 8 HZ PHE 8 51.404 10.288 -7.484 78 H ARG 9 HN ARG 9 45.600 7.302 -12.984 79 HA ARG 9 HA ARG 9 43.655 6.137 -11.258 80 HB2 ARG 9 HB2 ARG 9 43.177 7.723 -13.173 81 HB3 ARG 9 HB1 ARG 9 43.867 6.532 -14.318 82 HG2 ARG 9 HG2 ARG 9 42.051 4.992 -13.936 83 HG3 ARG 9 HG1 ARG 9 41.439 5.939 -12.542 84 HD2 ARG 9 HD2 ARG 9 39.999 6.437 -14.456 85 HD3 ARG 9 HD1 ARG 9 41.049 7.892 -14.161 86 HE ARG 9 HE ARG 9 42.294 6.074 -16.089 87 HH11 ARG 9 HH11 ARG 9 39.703 8.574 -15.817 88 HH12 ARG 9 HH12 ARG 9 39.797 9.032 -17.484 89 HH21 ARG 9 HH21 ARG 9 42.382 6.742 -18.318 90 HH22 ARG 9 HH22 ARG 9 41.332 7.983 -18.915 91 H ASP 10 HN ASP 10 46.103 5.119 -13.687 92 HA ASP 10 HA ASP 10 45.102 2.388 -13.437 93 HB2 ASP 10 HB2 ASP 10 47.415 3.646 -15.016 94 HB3 ASP 10 HB1 ASP 10 47.218 1.857 -14.919 95 H PHE 11 HN PHE 11 47.456 4.365 -11.730 96 HA PHE 11 HA PHE 11 48.825 2.019 -10.862 97 HB2 PHE 11 HB2 PHE 11 50.656 3.330 -10.810 98 HB3 PHE 11 HB1 PHE 11 49.618 4.737 -11.188 99 HD1 PHE 11 HD1 PHE 11 50.807 2.714 -8.150 100 HD2 PHE 11 HD2 PHE 11 49.366 6.330 -9.787 101 HE1 PHE 11 HE1 PHE 11 50.901 3.792 -5.955 102 HE2 PHE 11 HE2 PHE 11 49.476 7.367 -7.660 103 HZ PHE 11 HZ PHE 11 50.182 6.145 -5.709 104 H ILE 12 HN ILE 12 46.721 4.408 -9.309 105 HA ILE 12 HA ILE 12 47.035 3.315 -6.734 106 HB ILE 12 HB ILE 12 44.964 5.008 -8.115 107 HG12 ILE 12 HG12 ILE 12 47.113 5.642 -6.033 108 HG13 ILE 12 HG11 ILE 12 47.256 5.763 -7.819 109 HG21 ILE 12 HG21 ILE 12 44.990 4.080 -5.121 110 HG22 ILE 12 HG22 ILE 12 43.614 3.989 -6.283 111 HG23 ILE 12 HG23 ILE 12 44.138 5.580 -5.643 112 HD11 ILE 12 HD11 ILE 12 45.521 7.454 -7.942 113 HD12 ILE 12 HD12 ILE 12 46.849 7.927 -6.782 114 HD13 ILE 12 HD13 ILE 12 45.261 7.357 -6.151 115 H LEU 13 HN LEU 13 44.926 2.596 -9.467 116 HA LEU 13 HA LEU 13 42.951 1.230 -7.926 117 HB2 LEU 13 HB2 LEU 13 43.649 1.601 -10.823 118 HB3 LEU 13 HB1 LEU 13 42.316 0.478 -10.376 119 HG LEU 13 HG LEU 13 41.688 2.833 -11.050 120 HD11 LEU 13 HD11 LEU 13 40.628 2.066 -8.275 121 HD12 LEU 13 HD12 LEU 13 40.108 1.316 -9.831 122 HD13 LEU 13 HD13 LEU 13 39.789 3.063 -9.520 123 HD21 LEU 13 HD21 LEU 13 42.491 3.881 -8.259 124 HD22 LEU 13 HD22 LEU 13 41.845 4.799 -9.664 125 HD23 LEU 13 HD23 LEU 13 43.513 4.116 -9.736 126 H GLN 14 HN GLN 14 45.969 0.173 -9.427 127 HA GLN 14 HA GLN 14 45.200 -2.650 -9.185 128 HB2 GLN 14 HB2 GLN 14 47.851 -1.384 -10.114 129 HB3 GLN 14 HB1 GLN 14 47.470 -3.151 -10.148 130 HG2 GLN 14 HG2 GLN 14 45.486 -2.616 -11.708 131 HG3 GLN 14 HG1 GLN 14 46.080 -0.912 -11.779 132 HE21 GLN 14 HE21 GLN 14 48.313 -0.523 -12.730 133 HE22 GLN 14 HE22 GLN 14 48.978 -1.673 -13.840 134 H ARG 15 HN ARG 15 46.279 -0.323 -6.961 135 HA ARG 15 HA ARG 15 47.887 -2.293 -5.468 136 HB2 ARG 15 HB2 ARG 15 47.927 0.761 -5.399 137 HB3 ARG 15 HB1 ARG 15 48.767 -0.282 -4.184 138 HG2 ARG 15 HG2 ARG 15 49.994 -1.418 -6.124 139 HG3 ARG 15 HG1 ARG 15 49.290 -0.169 -7.216 140 HD2 ARG 15 HD2 ARG 15 50.339 1.624 -5.758 141 HD3 ARG 15 HD1 ARG 15 51.130 0.303 -4.795 142 HE ARG 15 HE ARG 15 51.739 -0.119 -7.581 143 HH11 ARG 15 HH11 ARG 15 52.504 2.210 -4.934 144 HH12 ARG 15 HH12 ARG 15 54.024 2.684 -5.614 145 HH21 ARG 15 HH21 ARG 15 53.788 0.569 -8.460 146 HH22 ARG 15 HH22 ARG 15 54.758 1.743 -7.636 147 H LYS 16 HN LYS 16 44.915 -2.296 -5.582 148 HA LYS 16 HA LYS 16 44.064 -1.097 -3.076 149 HB2 LYS 16 HB2 LYS 16 42.573 -2.878 -5.121 150 HB3 LYS 16 HB1 LYS 16 41.817 -2.166 -3.654 151 HG2 LYS 16 HG2 LYS 16 43.074 -0.463 -5.907 152 HG3 LYS 16 HG1 LYS 16 41.366 -0.999 -5.908 153 HD2 LYS 16 HD2 LYS 16 41.109 0.192 -3.612 154 HD3 LYS 16 HD1 LYS 16 42.752 0.862 -3.863 155 HE2 LYS 16 HE2 LYS 16 41.183 2.582 -4.575 156 HE3 LYS 16 HE1 LYS 16 41.883 1.893 -6.090 157 HZ1 LYS 16 HZ1 LYS 16 39.859 1.409 -6.732 158 HZ2 LYS 16 HZ2 LYS 16 39.206 2.057 -5.305 159 HZ3 LYS 16 HZ3 LYS 16 39.604 0.408 -5.385 160 H LYS 17 HN LYS 17 45.247 -4.108 -4.512 161 HA LYS 17 HA LYS 17 44.663 -5.508 -2.024 162 HB2 LYS 17 HB2 LYS 17 45.192 -6.506 -4.882 163 HB3 LYS 17 HB1 LYS 17 45.081 -7.606 -3.456 164 HG2 LYS 17 HG2 LYS 17 42.750 -7.013 -3.062 165 HG3 LYS 17 HG1 LYS 17 42.803 -5.684 -4.272 166 HD2 LYS 17 HD2 LYS 17 43.178 -7.326 -6.095 167 HD3 LYS 17 HD1 LYS 17 43.175 -8.679 -4.914 168 HE2 LYS 17 HE2 LYS 17 40.963 -8.615 -5.994 169 HE3 LYS 17 HE1 LYS 17 40.745 -8.036 -4.294 170 HZ1 LYS 17 HZ1 LYS 17 40.152 -6.734 -6.714 171 HZ2 LYS 17 HZ2 LYS 17 41.332 -5.822 -5.901 172 HZ3 LYS 17 HZ3 LYS 17 39.876 -6.216 -5.120 Start of MODEL 3 1 H1 GLU 1 HT1 GLU 1 52.119 23.267 -17.816 2 H2 GLU 1 HT2 GLU 1 52.853 21.777 -18.172 3 H3 GLU 1 HT3 GLU 1 52.881 22.379 -16.584 4 HA GLU 1 HA GLU 1 50.877 21.657 -16.099 5 HB2 GLU 1 HB2 GLU 1 50.144 22.492 -18.984 6 HB3 GLU 1 HB1 GLU 1 48.971 21.585 -17.955 7 HG2 GLU 1 HG2 GLU 1 49.049 23.425 -16.216 8 HG3 GLU 1 HG1 GLU 1 50.212 24.347 -17.248 9 H MET 2 HN MET 2 50.876 19.499 -15.631 10 HA MET 2 HA MET 2 51.039 17.598 -17.884 11 HB2 MET 2 HB2 MET 2 52.441 17.362 -15.131 12 HB3 MET 2 HB1 MET 2 52.317 16.020 -16.327 13 HG2 MET 2 HG2 MET 2 53.632 17.369 -17.976 14 HG3 MET 2 HG1 MET 2 53.760 18.707 -16.786 15 HE1 MET 2 HE1 MET 2 57.406 17.351 -17.017 16 HE2 MET 2 HE2 MET 2 56.308 18.769 -17.134 17 HE3 MET 2 HE3 MET 2 56.171 17.427 -18.322 18 H ARG 3 HN ARG 3 49.909 15.550 -17.471 19 HA ARG 3 HA ARG 3 47.751 15.874 -15.472 20 HB2 ARG 3 HB2 ARG 3 47.855 14.181 -18.062 21 HB3 ARG 3 HB1 ARG 3 46.476 14.204 -16.900 22 HG2 ARG 3 HG2 ARG 3 46.105 16.636 -17.372 23 HG3 ARG 3 HG1 ARG 3 47.494 16.637 -18.516 24 HD2 ARG 3 HD2 ARG 3 46.277 14.924 -19.963 25 HD3 ARG 3 HD1 ARG 3 44.855 15.026 -18.828 26 HE ARG 3 HE ARG 3 45.530 17.703 -19.639 27 HH11 ARG 3 HH11 ARG 3 44.238 14.670 -21.112 28 HH12 ARG 3 HH12 ARG 3 43.345 15.496 -22.345 29 HH21 ARG 3 HH21 ARG 3 44.308 18.763 -21.332 30 HH22 ARG 3 HH22 ARG 3 43.388 17.838 -22.471 31 H LEU 4 HN LEU 4 47.834 14.512 -13.718 32 HA LEU 4 HA LEU 4 49.342 11.997 -14.017 33 HB2 LEU 4 HB2 LEU 4 49.282 13.939 -11.619 34 HB3 LEU 4 HB1 LEU 4 49.907 12.258 -11.494 35 HG LEU 4 HG LEU 4 51.079 14.381 -13.407 36 HD11 LEU 4 HD11 LEU 4 52.102 13.567 -10.601 37 HD12 LEU 4 HD12 LEU 4 51.339 15.143 -11.041 38 HD13 LEU 4 HD13 LEU 4 52.930 14.684 -11.755 39 HD21 LEU 4 HD21 LEU 4 52.041 11.557 -12.576 40 HD22 LEU 4 HD22 LEU 4 53.153 12.785 -13.290 41 HD23 LEU 4 HD23 LEU 4 51.740 12.197 -14.237 42 H SER 5 HN SER 5 46.305 13.045 -14.095 43 HA SER 5 HA SER 5 45.225 11.604 -11.825 44 HB2 SER 5 HB2 SER 5 43.828 13.009 -14.200 45 HB3 SER 5 HB1 SER 5 42.955 12.242 -12.810 46 HG SER 5 HG SER 5 44.993 14.059 -12.247 47 H LYS 6 HN LYS 6 46.038 10.922 -15.206 48 HA LYS 6 HA LYS 6 44.251 8.626 -15.359 49 HB2 LYS 6 HB2 LYS 6 46.427 9.661 -17.281 50 HB3 LYS 6 HB1 LYS 6 45.366 8.238 -17.609 51 HG2 LYS 6 HG2 LYS 6 43.338 9.740 -17.456 52 HG3 LYS 6 HG1 LYS 6 44.418 11.153 -17.193 53 HD2 LYS 6 HD2 LYS 6 45.485 10.754 -19.429 54 HD3 LYS 6 HD1 LYS 6 44.406 9.336 -19.687 55 HE2 LYS 6 HE2 LYS 6 42.387 10.858 -19.619 56 HE3 LYS 6 HE1 LYS 6 43.475 12.283 -19.357 57 HZ1 LYS 6 HZ1 LYS 6 42.661 11.228 -21.745 58 HZ2 LYS 6 HZ2 LYS 6 44.275 10.717 -21.608 59 HZ3 LYS 6 HZ3 LYS 6 43.894 12.368 -21.496 60 H PHE 7 HN PHE 7 47.372 9.421 -14.147 61 HA PHE 7 HA PHE 7 48.694 6.908 -14.601 62 HB2 PHE 7 HB2 PHE 7 49.282 9.528 -13.118 63 HB3 PHE 7 HB1 PHE 7 50.299 8.076 -12.763 64 HD1 PHE 7 HD1 PHE 7 49.171 10.330 -15.603 65 HD2 PHE 7 HD2 PHE 7 52.128 7.583 -14.179 66 HE1 PHE 7 HE1 PHE 7 50.612 10.878 -17.491 67 HE2 PHE 7 HE2 PHE 7 53.541 8.156 -16.083 68 HZ PHE 7 HZ PHE 7 52.792 9.797 -17.737 69 H PHE 8 HN PHE 8 46.760 8.555 -12.164 70 HA PHE 8 HA PHE 8 47.629 6.739 -10.093 71 HB2 PHE 8 HB2 PHE 8 46.692 9.494 -10.390 72 HB3 PHE 8 HB1 PHE 8 45.649 8.611 -9.218 73 HD1 PHE 8 HD1 PHE 8 49.306 8.323 -10.022 74 HD2 PHE 8 HD2 PHE 8 46.381 9.284 -7.037 75 HE1 PHE 8 HE1 PHE 8 51.076 8.857 -8.461 76 HE2 PHE 8 HE2 PHE 8 48.196 9.759 -5.445 77 HZ PHE 8 HZ PHE 8 50.545 9.553 -6.148 78 H ARG 9 HN ARG 9 45.043 7.078 -12.360 79 HA ARG 9 HA ARG 9 43.353 5.455 -10.620 80 HB2 ARG 9 HB2 ARG 9 41.641 5.504 -12.301 81 HB3 ARG 9 HB1 ARG 9 42.268 7.172 -12.101 82 HG2 ARG 9 HG2 ARG 9 43.725 6.730 -14.188 83 HG3 ARG 9 HG1 ARG 9 42.781 5.220 -14.425 84 HD2 ARG 9 HD2 ARG 9 40.654 6.565 -14.495 85 HD3 ARG 9 HD1 ARG 9 41.638 8.087 -14.316 86 HE ARG 9 HE ARG 9 42.660 6.513 -16.541 87 HH11 ARG 9 HH11 ARG 9 39.844 8.598 -15.673 88 HH12 ARG 9 HH12 ARG 9 39.541 9.084 -17.307 89 HH21 ARG 9 HH21 ARG 9 42.206 7.207 -18.719 90 HH22 ARG 9 HH22 ARG 9 40.893 8.287 -19.049 91 H ASP 10 HN ASP 10 45.866 5.071 -13.061 92 HA ASP 10 HA ASP 10 44.950 2.330 -13.449 93 HB2 ASP 10 HB2 ASP 10 47.440 3.842 -14.492 94 HB3 ASP 10 HB1 ASP 10 47.112 2.112 -14.873 95 H PHE 11 HN PHE 11 47.353 4.136 -11.517 96 HA PHE 11 HA PHE 11 48.670 1.737 -10.798 97 HB2 PHE 11 HB2 PHE 11 50.452 3.079 -10.492 98 HB3 PHE 11 HB1 PHE 11 49.389 4.492 -10.768 99 HD1 PHE 11 HD1 PHE 11 50.621 2.213 -7.953 100 HD2 PHE 11 HD2 PHE 11 48.870 5.875 -9.179 101 HE1 PHE 11 HE1 PHE 11 50.559 3.003 -5.640 102 HE2 PHE 11 HE2 PHE 11 48.838 6.628 -6.923 103 HZ PHE 11 HZ PHE 11 49.623 5.232 -5.122 104 H ILE 12 HN ILE 12 46.402 3.822 -9.018 105 HA ILE 12 HA ILE 12 46.704 2.394 -6.622 106 HB ILE 12 HB ILE 12 44.579 4.149 -7.828 107 HG12 ILE 12 HG12 ILE 12 46.574 4.554 -5.541 108 HG13 ILE 12 HG11 ILE 12 46.824 4.948 -7.272 109 HG21 ILE 12 HG21 ILE 12 44.533 2.781 -5.003 110 HG22 ILE 12 HG22 ILE 12 43.226 2.760 -6.244 111 HG23 ILE 12 HG23 ILE 12 43.591 4.276 -5.359 112 HD11 ILE 12 HD11 ILE 12 46.245 6.928 -5.989 113 HD12 ILE 12 HD12 ILE 12 44.671 6.193 -5.499 114 HD13 ILE 12 HD13 ILE 12 44.986 6.563 -7.245 115 H LEU 13 HN LEU 13 44.687 1.965 -9.502 116 HA LEU 13 HA LEU 13 42.875 0.155 -8.232 117 HB2 LEU 13 HB2 LEU 13 43.512 1.041 -11.039 118 HB3 LEU 13 HB1 LEU 13 42.287 -0.245 -10.762 119 HG LEU 13 HG LEU 13 41.426 2.111 -11.088 120 HD11 LEU 13 HD11 LEU 13 39.555 1.957 -9.525 121 HD12 LEU 13 HD12 LEU 13 40.509 0.898 -8.417 122 HD13 LEU 13 HD13 LEU 13 40.028 0.298 -10.051 123 HD21 LEU 13 HD21 LEU 13 42.128 2.872 -8.188 124 HD22 LEU 13 HD22 LEU 13 41.499 3.904 -9.525 125 HD23 LEU 13 HD23 LEU 13 43.203 3.316 -9.575 126 H GLN 14 HN GLN 14 45.809 -0.278 -10.290 127 HA GLN 14 HA GLN 14 45.520 -3.074 -10.624 128 HB2 GLN 14 HB2 GLN 14 47.948 -1.216 -10.802 129 HB3 GLN 14 HB1 GLN 14 48.119 -2.999 -11.032 130 HG2 GLN 14 HG2 GLN 14 46.548 -2.943 -12.978 131 HG3 GLN 14 HG1 GLN 14 46.255 -1.183 -12.719 132 HE21 GLN 14 HE21 GLN 14 49.088 -3.491 -13.171 133 HE22 GLN 14 HE22 GLN 14 50.013 -2.414 -14.161 134 H ARG 15 HN ARG 15 47.205 -1.152 -8.035 135 HA ARG 15 HA ARG 15 48.459 -3.419 -6.864 136 HB2 ARG 15 HB2 ARG 15 47.875 -0.637 -5.759 137 HB3 ARG 15 HB1 ARG 15 48.763 -1.904 -4.830 138 HG2 ARG 15 HG2 ARG 15 50.440 -2.027 -6.779 139 HG3 ARG 15 HG1 ARG 15 49.608 -0.600 -7.497 140 HD2 ARG 15 HD2 ARG 15 50.087 0.702 -5.362 141 HD3 ARG 15 HD1 ARG 15 51.007 -0.742 -4.750 142 HE ARG 15 HE ARG 15 52.040 -0.047 -7.353 143 HH11 ARG 15 HH11 ARG 15 51.972 1.278 -3.994 144 HH12 ARG 15 HH12 ARG 15 53.433 2.188 -4.185 145 HH21 ARG 15 HH21 ARG 15 53.999 1.216 -7.555 146 HH22 ARG 15 HH22 ARG 15 54.591 2.151 -6.224 147 H LYS 16 HN LYS 16 45.417 -1.704 -6.311 148 HA LYS 16 HA LYS 16 43.512 -2.157 -5.433 149 HB2 LYS 16 HB2 LYS 16 44.576 -4.918 -4.726 150 HB3 LYS 16 HB1 LYS 16 42.897 -4.365 -4.409 151 HG2 LYS 16 HG2 LYS 16 42.630 -3.923 -6.905 152 HG3 LYS 16 HG1 LYS 16 44.263 -4.642 -7.160 153 HD2 LYS 16 HD2 LYS 16 43.469 -6.778 -6.119 154 HD3 LYS 16 HD1 LYS 16 41.848 -6.039 -5.884 155 HE2 LYS 16 HE2 LYS 16 41.573 -5.815 -8.382 156 HE3 LYS 16 HE1 LYS 16 43.216 -6.542 -8.628 157 HZ1 LYS 16 HZ1 LYS 16 40.813 -7.827 -7.435 158 HZ2 LYS 16 HZ2 LYS 16 42.365 -8.512 -7.412 159 HZ3 LYS 16 HZ3 LYS 16 41.593 -8.208 -8.893 160 H LYS 17 HN LYS 17 46.063 -1.107 -4.206 161 HA LYS 17 HA LYS 17 45.255 -1.292 -1.422 162 HB2 LYS 17 HB2 LYS 17 47.991 -0.765 -2.730 163 HB3 LYS 17 HB1 LYS 17 47.688 -0.577 -0.962 164 HG2 LYS 17 HG2 LYS 17 47.188 -2.966 -0.715 165 HG3 LYS 17 HG1 LYS 17 47.238 -3.227 -2.493 166 HD2 LYS 17 HD2 LYS 17 49.643 -2.605 -2.531 167 HD3 LYS 17 HD1 LYS 17 49.624 -2.334 -0.750 168 HE2 LYS 17 HE2 LYS 17 49.058 -4.776 -0.384 169 HE3 LYS 17 HE1 LYS 17 49.068 -5.043 -2.177 170 HZ1 LYS 17 HZ1 LYS 17 51.383 -4.356 -2.190 171 HZ2 LYS 17 HZ2 LYS 17 51.130 -5.687 -1.167 172 HZ3 LYS 17 HZ3 LYS 17 51.363 -4.140 -0.507 Start of MODEL 4 1 H1 GLU 1 HT1 GLU 1 50.821 22.335 -20.925 2 H2 GLU 1 HT2 GLU 1 51.359 22.615 -19.339 3 H3 GLU 1 HT3 GLU 1 50.152 23.602 -20.012 4 HA GLU 1 HA GLU 1 49.045 22.178 -18.583 5 HB2 GLU 1 HB2 GLU 1 48.886 21.224 -21.520 6 HB3 GLU 1 HB1 GLU 1 47.807 20.522 -20.257 7 HG2 GLU 1 HG2 GLU 1 46.873 22.818 -19.753 8 HG3 GLU 1 HG1 GLU 1 47.943 23.532 -21.023 9 H MET 2 HN MET 2 49.462 20.615 -17.077 10 HA MET 2 HA MET 2 50.870 18.178 -17.975 11 HB2 MET 2 HB2 MET 2 51.278 19.729 -15.326 12 HB3 MET 2 HB1 MET 2 51.933 18.083 -15.647 13 HG2 MET 2 HG2 MET 2 53.301 18.993 -17.533 14 HG3 MET 2 HG1 MET 2 52.650 20.636 -17.221 15 HE1 MET 2 HE1 MET 2 55.693 19.898 -17.462 16 HE2 MET 2 HE2 MET 2 56.391 20.908 -16.150 17 HE3 MET 2 HE3 MET 2 55.057 21.554 -17.167 18 H ARG 3 HN ARG 3 50.123 16.227 -17.013 19 HA ARG 3 HA ARG 3 47.966 16.407 -15.063 20 HB2 ARG 3 HB2 ARG 3 46.844 16.436 -17.397 21 HB3 ARG 3 HB1 ARG 3 47.637 14.864 -17.740 22 HG2 ARG 3 HG2 ARG 3 46.369 13.762 -15.922 23 HG3 ARG 3 HG1 ARG 3 45.679 15.335 -15.389 24 HD2 ARG 3 HD2 ARG 3 44.407 15.542 -17.539 25 HD3 ARG 3 HD1 ARG 3 45.147 13.988 -18.140 26 HE ARG 3 HE ARG 3 43.988 13.362 -15.626 27 HH11 ARG 3 HH11 ARG 3 42.773 14.634 -18.778 28 HH12 ARG 3 HH12 ARG 3 41.220 13.884 -18.625 29 HH21 ARG 3 HH21 ARG 3 41.889 12.368 -15.479 30 HH22 ARG 3 HH22 ARG 3 40.715 12.585 -16.733 31 H LEU 4 HN LEU 4 48.084 14.680 -13.623 32 HA LEU 4 HA LEU 4 49.761 12.403 -14.371 33 HB2 LEU 4 HB2 LEU 4 50.836 14.431 -12.785 34 HB3 LEU 4 HB1 LEU 4 50.044 13.439 -11.523 35 HG LEU 4 HG LEU 4 51.333 11.403 -12.684 36 HD11 LEU 4 HD11 LEU 4 53.080 13.764 -13.642 37 HD12 LEU 4 HD12 LEU 4 52.214 12.569 -14.679 38 HD13 LEU 4 HD13 LEU 4 53.582 12.032 -13.639 39 HD21 LEU 4 HD21 LEU 4 51.730 12.183 -10.347 40 HD22 LEU 4 HD22 LEU 4 52.859 13.455 -10.950 41 HD23 LEU 4 HD23 LEU 4 53.273 11.710 -11.152 42 H SER 5 HN SER 5 46.752 13.139 -14.044 43 HA SER 5 HA SER 5 46.017 11.642 -11.668 44 HB2 SER 5 HB2 SER 5 44.297 12.973 -13.860 45 HB3 SER 5 HB1 SER 5 43.618 12.128 -12.409 46 HG SER 5 HG SER 5 45.578 14.102 -12.071 47 H LYS 6 HN LYS 6 46.626 10.901 -15.066 48 HA LYS 6 HA LYS 6 44.852 8.565 -15.088 49 HB2 LYS 6 HB2 LYS 6 46.972 9.556 -17.106 50 HB3 LYS 6 HB1 LYS 6 45.882 8.141 -17.363 51 HG2 LYS 6 HG2 LYS 6 43.881 9.664 -17.207 52 HG3 LYS 6 HG1 LYS 6 44.977 11.075 -16.988 53 HD2 LYS 6 HD2 LYS 6 46.015 10.609 -19.230 54 HD3 LYS 6 HD1 LYS 6 44.904 9.210 -19.445 55 HE2 LYS 6 HE2 LYS 6 42.918 10.775 -19.387 56 HE3 LYS 6 HE1 LYS 6 44.042 12.179 -19.164 57 HZ1 LYS 6 HZ1 LYS 6 44.967 10.772 -21.353 58 HZ2 LYS 6 HZ2 LYS 6 44.163 12.268 -21.332 59 HZ3 LYS 6 HZ3 LYS 6 43.280 10.832 -21.531 60 H PHE 7 HN PHE 7 48.085 9.458 -14.133 61 HA PHE 7 HA PHE 7 49.393 6.927 -14.437 62 HB2 PHE 7 HB2 PHE 7 49.940 9.547 -12.917 63 HB3 PHE 7 HB1 PHE 7 50.972 8.101 -12.606 64 HD1 PHE 7 HD1 PHE 7 49.802 10.379 -15.416 65 HD2 PHE 7 HD2 PHE 7 52.846 7.736 -13.983 66 HE1 PHE 7 HE1 PHE 7 51.250 11.024 -17.265 67 HE2 PHE 7 HE2 PHE 7 54.266 8.402 -15.850 68 HZ PHE 7 HZ PHE 7 53.477 10.041 -17.488 69 H PHE 8 HN PHE 8 47.420 8.660 -12.183 70 HA PHE 8 HA PHE 8 48.065 6.977 -9.945 71 HB2 PHE 8 HB2 PHE 8 47.191 9.710 -10.554 72 HB3 PHE 8 HB1 PHE 8 46.043 8.930 -9.404 73 HD1 PHE 8 HD1 PHE 8 49.744 8.548 -9.864 74 HD2 PHE 8 HD2 PHE 8 46.594 9.814 -7.247 75 HE1 PHE 8 HE1 PHE 8 51.382 9.188 -8.212 76 HE2 PHE 8 HE2 PHE 8 48.275 10.398 -5.550 77 HZ PHE 8 HZ PHE 8 50.669 10.092 -6.023 78 H ARG 9 HN ARG 9 45.857 7.192 -12.502 79 HA ARG 9 HA ARG 9 43.780 5.831 -11.058 80 HB2 ARG 9 HB2 ARG 9 43.346 7.528 -12.897 81 HB3 ARG 9 HB1 ARG 9 44.220 6.475 -14.056 82 HG2 ARG 9 HG2 ARG 9 42.533 4.767 -13.899 83 HG3 ARG 9 HG1 ARG 9 41.717 5.588 -12.522 84 HD2 ARG 9 HD2 ARG 9 41.118 7.507 -14.005 85 HD3 ARG 9 HD1 ARG 9 41.966 6.693 -15.399 86 HE ARG 9 HE ARG 9 40.101 4.793 -14.383 87 HH11 ARG 9 HH11 ARG 9 39.954 8.069 -15.885 88 HH12 ARG 9 HH12 ARG 9 38.381 7.827 -16.565 89 HH21 ARG 9 HH21 ARG 9 37.987 4.519 -15.315 90 HH22 ARG 9 HH22 ARG 9 37.253 5.788 -16.236 91 H ASP 10 HN ASP 10 46.664 5.168 -13.069 92 HA ASP 10 HA ASP 10 45.789 2.395 -13.320 93 HB2 ASP 10 HB2 ASP 10 48.433 3.756 -14.161 94 HB3 ASP 10 HB1 ASP 10 48.018 2.038 -14.520 95 H PHE 11 HN PHE 11 47.818 4.323 -11.149 96 HA PHE 11 HA PHE 11 49.058 1.968 -10.159 97 HB2 PHE 11 HB2 PHE 11 50.825 3.309 -9.762 98 HB3 PHE 11 HB1 PHE 11 49.827 4.709 -10.260 99 HD1 PHE 11 HD1 PHE 11 50.700 2.645 -7.163 100 HD2 PHE 11 HD2 PHE 11 49.157 6.200 -8.849 101 HE1 PHE 11 HE1 PHE 11 50.387 3.608 -4.935 102 HE2 PHE 11 HE2 PHE 11 48.874 7.132 -6.687 103 HZ PHE 11 HZ PHE 11 49.416 5.877 -4.705 104 H ILE 12 HN ILE 12 46.636 4.210 -8.853 105 HA ILE 12 HA ILE 12 46.619 2.996 -6.318 106 HB ILE 12 HB ILE 12 44.686 4.656 -7.915 107 HG12 ILE 12 HG12 ILE 12 46.431 5.236 -5.467 108 HG13 ILE 12 HG11 ILE 12 46.846 5.501 -7.192 109 HG21 ILE 12 HG21 ILE 12 44.273 3.533 -5.016 110 HG22 ILE 12 HG22 ILE 12 43.124 3.433 -6.403 111 HG23 ILE 12 HG23 ILE 12 43.419 5.009 -5.602 112 HD11 ILE 12 HD11 ILE 12 46.168 7.569 -6.129 113 HD12 ILE 12 HD12 ILE 12 44.551 6.878 -5.725 114 HD13 ILE 12 HD13 ILE 12 45.020 7.109 -7.460 115 H LEU 13 HN LEU 13 44.964 2.340 -9.368 116 HA LEU 13 HA LEU 13 42.876 0.789 -8.230 117 HB2 LEU 13 HB2 LEU 13 44.030 1.294 -10.957 118 HB3 LEU 13 HB1 LEU 13 42.719 0.075 -10.772 119 HG LEU 13 HG LEU 13 42.079 2.444 -11.476 120 HD11 LEU 13 HD11 LEU 13 39.917 2.484 -10.269 121 HD12 LEU 13 HD12 LEU 13 40.578 1.340 -9.046 122 HD13 LEU 13 HD13 LEU 13 40.382 0.812 -10.756 123 HD21 LEU 13 HD21 LEU 13 41.823 4.319 -9.978 124 HD22 LEU 13 HD22 LEU 13 43.519 3.749 -9.758 125 HD23 LEU 13 HD23 LEU 13 42.257 3.347 -8.524 126 H GLN 14 HN GLN 14 46.101 -0.099 -9.516 127 HA GLN 14 HA GLN 14 45.494 -2.937 -9.413 128 HB2 GLN 14 HB2 GLN 14 48.181 -1.484 -9.821 129 HB3 GLN 14 HB1 GLN 14 47.930 -3.266 -9.988 130 HG2 GLN 14 HG2 GLN 14 46.242 -2.807 -11.856 131 HG3 GLN 14 HG1 GLN 14 46.640 -1.051 -11.735 132 HE21 GLN 14 HE21 GLN 14 48.900 -0.345 -12.313 133 HE22 GLN 14 HE22 GLN 14 49.893 -1.348 -13.314 134 H ARG 15 HN ARG 15 46.260 -0.642 -6.938 135 HA ARG 15 HA ARG 15 47.646 -2.691 -5.333 136 HB2 ARG 15 HB2 ARG 15 47.589 0.353 -5.081 137 HB3 ARG 15 HB1 ARG 15 48.286 -0.746 -3.826 138 HG2 ARG 15 HG2 ARG 15 49.817 -1.720 -5.624 139 HG3 ARG 15 HG1 ARG 15 49.214 -0.453 -6.752 140 HD2 ARG 15 HD2 ARG 15 49.989 1.319 -5.118 141 HD3 ARG 15 HD1 ARG 15 50.675 -0.004 -4.079 142 HE ARG 15 HE ARG 15 51.714 -0.346 -6.737 143 HH11 ARG 15 HH11 ARG 15 51.941 2.025 -4.028 144 HH12 ARG 15 HH12 ARG 15 53.533 2.557 -4.453 145 HH21 ARG 15 HH21 ARG 15 53.858 0.420 -7.274 146 HH22 ARG 15 HH22 ARG 15 54.628 1.636 -6.313 147 H LYS 16 HN LYS 16 44.646 -2.580 -5.891 148 HA LYS 16 HA LYS 16 43.602 -1.808 -3.265 149 HB2 LYS 16 HB2 LYS 16 42.208 -2.665 -5.857 150 HB3 LYS 16 HB1 LYS 16 41.352 -2.379 -4.290 151 HG2 LYS 16 HG2 LYS 16 42.378 -0.001 -4.302 152 HG3 LYS 16 HG1 LYS 16 42.923 -0.345 -5.982 153 HD2 LYS 16 HD2 LYS 16 40.585 -0.744 -6.691 154 HD3 LYS 16 HD1 LYS 16 40.026 -0.494 -5.000 155 HE2 LYS 16 HE2 LYS 16 40.807 1.906 -5.087 156 HE3 LYS 16 HE1 LYS 16 41.382 1.657 -6.784 157 HZ1 LYS 16 HZ1 LYS 16 39.079 2.658 -6.329 158 HZ2 LYS 16 HZ2 LYS 16 38.586 1.056 -6.055 159 HZ3 LYS 16 HZ3 LYS 16 39.254 1.495 -7.553 160 H LYS 17 HN LYS 17 44.879 -4.460 -5.105 161 HA LYS 17 HA LYS 17 43.556 -6.384 -3.358 162 HB2 LYS 17 HB2 LYS 17 44.841 -6.628 -6.139 163 HB3 LYS 17 HB1 LYS 17 44.322 -8.058 -5.168 164 HG2 LYS 17 HG2 LYS 17 41.983 -7.376 -5.236 165 HG3 LYS 17 HG1 LYS 17 42.389 -5.775 -5.947 166 HD2 LYS 17 HD2 LYS 17 43.187 -6.846 -8.020 167 HD3 LYS 17 HD1 LYS 17 42.907 -8.481 -7.333 168 HE2 LYS 17 HE2 LYS 17 41.036 -7.953 -8.852 169 HE3 LYS 17 HE1 LYS 17 40.394 -7.911 -7.162 170 HZ1 LYS 17 HZ1 LYS 17 41.393 -5.411 -8.337 171 HZ2 LYS 17 HZ2 LYS 17 40.116 -5.687 -7.253 172 HZ3 LYS 17 HZ3 LYS 17 39.917 -6.031 -8.905 Start of MODEL 5 1 H1 GLU 1 HT1 GLU 1 46.372 22.247 -15.689 2 H2 GLU 1 HT2 GLU 1 45.521 21.226 -14.631 3 H3 GLU 1 HT3 GLU 1 44.715 21.960 -15.933 4 HA GLU 1 HA GLU 1 45.119 19.671 -16.404 5 HB2 GLU 1 HB2 GLU 1 46.820 21.696 -18.009 6 HB3 GLU 1 HB1 GLU 1 46.647 19.980 -18.540 7 HG2 GLU 1 HG2 GLU 1 44.132 20.266 -18.685 8 HG3 GLU 1 HG1 GLU 1 44.302 21.991 -18.173 9 H MET 2 HN MET 2 46.269 17.833 -15.916 10 HA MET 2 HA MET 2 49.153 18.119 -15.355 11 HB2 MET 2 HB2 MET 2 47.099 16.441 -13.753 12 HB3 MET 2 HB1 MET 2 48.885 16.304 -13.567 13 HG2 MET 2 HG2 MET 2 48.995 18.690 -12.822 14 HG3 MET 2 HG1 MET 2 47.217 18.838 -13.011 15 HE1 MET 2 HE1 MET 2 47.725 19.034 -9.158 16 HE2 MET 2 HE2 MET 2 47.030 19.786 -10.635 17 HE3 MET 2 HE3 MET 2 48.814 19.645 -10.452 18 H ARG 3 HN ARG 3 50.419 16.228 -15.916 19 HA ARG 3 HA ARG 3 49.048 14.500 -17.888 20 HB2 ARG 3 HB2 ARG 3 52.014 15.326 -17.622 21 HB3 ARG 3 HB1 ARG 3 51.394 14.140 -18.832 22 HG2 ARG 3 HG2 ARG 3 50.028 15.878 -19.924 23 HG3 ARG 3 HG1 ARG 3 50.474 17.087 -18.666 24 HD2 ARG 3 HD2 ARG 3 52.902 16.928 -19.380 25 HD3 ARG 3 HD1 ARG 3 52.422 15.752 -20.686 26 HE ARG 3 HE ARG 3 50.748 18.014 -21.043 27 HH11 ARG 3 HH11 ARG 3 54.300 17.386 -21.054 28 HH12 ARG 3 HH12 ARG 3 54.653 18.651 -22.182 29 HH21 ARG 3 HH21 ARG 3 51.279 19.710 -22.561 30 HH22 ARG 3 HH22 ARG 3 52.919 19.983 -23.044 31 H LEU 4 HN LEU 4 50.137 14.538 -14.673 32 HA LEU 4 HA LEU 4 51.075 11.753 -14.784 33 HB2 LEU 4 HB2 LEU 4 51.422 13.925 -12.628 34 HB3 LEU 4 HB1 LEU 4 51.911 12.210 -12.386 35 HG LEU 4 HG LEU 4 53.058 14.023 -14.612 36 HD11 LEU 4 HD11 LEU 4 55.100 14.272 -13.195 37 HD12 LEU 4 HD12 LEU 4 54.301 13.359 -11.858 38 HD13 LEU 4 HD13 LEU 4 53.648 14.960 -12.376 39 HD21 LEU 4 HD21 LEU 4 54.979 12.239 -14.537 40 HD22 LEU 4 HD22 LEU 4 53.429 11.730 -15.293 41 HD23 LEU 4 HD23 LEU 4 53.829 11.196 -13.617 42 H SER 5 HN SER 5 48.187 13.041 -14.825 43 HA SER 5 HA SER 5 47.096 12.045 -12.340 44 HB2 SER 5 HB2 SER 5 46.191 14.129 -13.598 45 HB3 SER 5 HB1 SER 5 45.558 13.001 -14.853 46 HG SER 5 HG SER 5 44.561 11.930 -12.910 47 H LYS 6 HN LYS 6 47.523 10.962 -15.726 48 HA LYS 6 HA LYS 6 45.634 8.770 -15.516 49 HB2 LYS 6 HB2 LYS 6 47.818 9.413 -17.607 50 HB3 LYS 6 HB1 LYS 6 46.562 8.128 -17.777 51 HG2 LYS 6 HG2 LYS 6 44.759 9.876 -17.706 52 HG3 LYS 6 HG1 LYS 6 46.006 11.163 -17.535 53 HD2 LYS 6 HD2 LYS 6 46.992 10.485 -19.749 54 HD3 LYS 6 HD1 LYS 6 45.713 9.231 -19.919 55 HE2 LYS 6 HE2 LYS 6 43.941 11.025 -19.940 56 HE3 LYS 6 HE1 LYS 6 45.220 12.293 -19.736 57 HZ1 LYS 6 HZ1 LYS 6 44.852 10.435 -22.029 58 HZ2 LYS 6 HZ2 LYS 6 46.202 11.444 -21.825 59 HZ3 LYS 6 HZ3 LYS 6 44.654 12.121 -22.004 60 H PHE 7 HN PHE 7 48.965 9.407 -14.668 61 HA PHE 7 HA PHE 7 50.074 6.781 -14.887 62 HB2 PHE 7 HB2 PHE 7 50.808 9.436 -13.526 63 HB3 PHE 7 HB1 PHE 7 51.725 7.951 -13.068 64 HD1 PHE 7 HD1 PHE 7 50.698 9.894 -16.202 65 HD2 PHE 7 HD2 PHE 7 53.686 7.524 -14.258 66 HE1 PHE 7 HE1 PHE 7 52.231 10.289 -18.047 67 HE2 PHE 7 HE2 PHE 7 55.192 7.943 -16.128 68 HZ PHE 7 HZ PHE 7 54.475 9.321 -18.018 69 H PHE 8 HN PHE 8 48.331 8.743 -12.626 70 HA PHE 8 HA PHE 8 48.848 7.045 -10.367 71 HB2 PHE 8 HB2 PHE 8 48.240 9.842 -11.032 72 HB3 PHE 8 HB1 PHE 8 47.072 9.211 -9.817 73 HD1 PHE 8 HD1 PHE 8 50.692 8.409 -10.375 74 HD2 PHE 8 HD2 PHE 8 47.795 10.146 -7.737 75 HE1 PHE 8 HE1 PHE 8 52.446 8.930 -8.802 76 HE2 PHE 8 HE2 PHE 8 49.589 10.610 -6.118 77 HZ PHE 8 HZ PHE 8 51.914 10.008 -6.642 78 H ARG 9 HN ARG 9 46.603 7.451 -12.872 79 HA ARG 9 HA ARG 9 44.418 6.389 -11.346 80 HB2 ARG 9 HB2 ARG 9 44.468 7.937 -13.576 81 HB3 ARG 9 HB1 ARG 9 44.610 6.351 -14.401 82 HG2 ARG 9 HG2 ARG 9 42.543 5.708 -12.841 83 HG3 ARG 9 HG1 ARG 9 42.355 7.493 -12.729 84 HD2 ARG 9 HD2 ARG 9 40.984 7.004 -14.584 85 HD3 ARG 9 HD1 ARG 9 42.568 7.377 -15.402 86 HE ARG 9 HE ARG 9 42.413 4.547 -14.714 87 HH11 ARG 9 HH11 ARG 9 41.189 6.939 -17.118 88 HH12 ARG 9 HH12 ARG 9 40.914 5.751 -18.347 89 HH21 ARG 9 HH21 ARG 9 42.024 2.994 -16.391 90 HH22 ARG 9 HH22 ARG 9 41.394 3.485 -17.927 91 H ASP 10 HN ASP 10 47.132 5.277 -13.357 92 HA ASP 10 HA ASP 10 45.871 2.664 -13.470 93 HB2 ASP 10 HB2 ASP 10 48.682 3.588 -14.374 94 HB3 ASP 10 HB1 ASP 10 48.019 1.935 -14.662 95 H PHE 11 HN PHE 11 48.299 4.380 -11.504 96 HA PHE 11 HA PHE 11 49.222 1.973 -10.353 97 HB2 PHE 11 HB2 PHE 11 51.103 3.159 -10.023 98 HB3 PHE 11 HB1 PHE 11 50.232 4.628 -10.559 99 HD1 PHE 11 HD1 PHE 11 50.806 2.562 -7.367 100 HD2 PHE 11 HD2 PHE 11 49.862 6.245 -9.215 101 HE1 PHE 11 HE1 PHE 11 50.613 3.659 -5.188 102 HE2 PHE 11 HE2 PHE 11 49.707 7.293 -7.098 103 HZ PHE 11 HZ PHE 11 50.018 6.051 -5.060 104 H ILE 12 HN ILE 12 47.078 4.525 -9.110 105 HA ILE 12 HA ILE 12 46.932 3.424 -6.535 106 HB ILE 12 HB ILE 12 45.195 5.223 -8.207 107 HG12 ILE 12 HG12 ILE 12 46.999 5.722 -5.784 108 HG13 ILE 12 HG11 ILE 12 47.456 5.837 -7.516 109 HG21 ILE 12 HG21 ILE 12 43.514 4.263 -6.631 110 HG22 ILE 12 HG22 ILE 12 43.996 5.831 -5.909 111 HG23 ILE 12 HG23 ILE 12 44.680 4.299 -5.255 112 HD11 ILE 12 HD11 ILE 12 47.014 8.032 -6.613 113 HD12 ILE 12 HD12 ILE 12 45.340 7.556 -6.139 114 HD13 ILE 12 HD13 ILE 12 45.795 7.616 -7.892 115 H LEU 13 HN LEU 13 45.215 2.790 -9.551 116 HA LEU 13 HA LEU 13 42.985 1.511 -8.330 117 HB2 LEU 13 HB2 LEU 13 44.148 1.814 -11.078 118 HB3 LEU 13 HB1 LEU 13 42.727 0.735 -10.846 119 HG LEU 13 HG LEU 13 42.330 3.136 -11.611 120 HD11 LEU 13 HD11 LEU 13 40.466 1.734 -10.890 121 HD12 LEU 13 HD12 LEU 13 40.190 3.433 -10.356 122 HD13 LEU 13 HD13 LEU 13 40.738 2.193 -9.171 123 HD21 LEU 13 HD21 LEU 13 43.891 4.348 -9.951 124 HD22 LEU 13 HD22 LEU 13 42.621 4.086 -8.686 125 HD23 LEU 13 HD23 LEU 13 42.245 5.062 -10.147 126 H GLN 14 HN GLN 14 46.156 0.326 -9.328 127 HA GLN 14 HA GLN 14 45.322 -2.463 -9.270 128 HB2 GLN 14 HB2 GLN 14 48.094 -1.145 -9.510 129 HB3 GLN 14 HB1 GLN 14 47.833 -2.933 -9.531 130 HG2 GLN 14 HG2 GLN 14 46.379 -2.704 -11.579 131 HG3 GLN 14 HG1 GLN 14 46.651 -0.922 -11.578 132 HE21 GLN 14 HE21 GLN 14 48.920 -0.108 -11.989 133 HE22 GLN 14 HE22 GLN 14 50.060 -1.114 -12.816 134 H ARG 15 HN ARG 15 46.017 -0.169 -6.771 135 HA ARG 15 HA ARG 15 47.128 -2.252 -5.001 136 HB2 ARG 15 HB2 ARG 15 47.107 0.796 -4.713 137 HB3 ARG 15 HB1 ARG 15 47.733 -0.356 -3.468 138 HG2 ARG 15 HG2 ARG 15 49.320 -1.275 -5.297 139 HG3 ARG 15 HG1 ARG 15 48.820 0.132 -6.304 140 HD2 ARG 15 HD2 ARG 15 49.568 1.685 -4.443 141 HD3 ARG 15 HD1 ARG 15 50.160 0.224 -3.534 142 HE ARG 15 HE ARG 15 51.285 0.205 -6.203 143 HH11 ARG 15 HH11 ARG 15 51.569 1.985 -3.081 144 HH12 ARG 15 HH12 ARG 15 53.200 2.491 -3.367 145 HH21 ARG 15 HH21 ARG 15 53.479 0.930 -6.550 146 HH22 ARG 15 HH22 ARG 15 54.292 1.886 -5.357 147 H LYS 16 HN LYS 16 44.220 -2.038 -5.871 148 HA LYS 16 HA LYS 16 42.948 -1.234 -3.343 149 HB2 LYS 16 HB2 LYS 16 41.750 -1.784 -6.116 150 HB3 LYS 16 HB1 LYS 16 40.808 -1.350 -4.636 151 HG2 LYS 16 HG2 LYS 16 42.402 0.776 -4.543 152 HG3 LYS 16 HG1 LYS 16 42.773 0.356 -6.249 153 HD2 LYS 16 HD2 LYS 16 40.353 0.479 -6.821 154 HD3 LYS 16 HD1 LYS 16 39.973 0.833 -5.097 155 HE2 LYS 16 HE2 LYS 16 41.269 2.997 -5.248 156 HE3 LYS 16 HE1 LYS 16 41.660 2.641 -6.980 157 HZ1 LYS 16 HZ1 LYS 16 38.950 2.364 -6.802 158 HZ2 LYS 16 HZ2 LYS 16 39.806 3.690 -7.428 159 HZ3 LYS 16 HZ3 LYS 16 39.283 3.703 -5.813 160 H LYS 17 HN LYS 17 44.414 -3.852 -4.839 161 HA LYS 17 HA LYS 17 42.566 -5.726 -3.569 162 HB2 LYS 17 HB2 LYS 17 43.904 -5.803 -6.307 163 HB3 LYS 17 HB1 LYS 17 43.759 -7.353 -5.416 164 HG2 LYS 17 HG2 LYS 17 41.788 -7.453 -6.620 165 HG3 LYS 17 HG1 LYS 17 41.172 -6.620 -5.156 166 HD2 LYS 17 HD2 LYS 17 41.457 -4.386 -6.367 167 HD3 LYS 17 HD1 LYS 17 41.995 -5.279 -7.824 168 HE2 LYS 17 HE2 LYS 17 39.649 -4.755 -8.176 169 HE3 LYS 17 HE1 LYS 17 39.688 -6.515 -7.764 170 HZ1 LYS 17 HZ1 LYS 17 38.580 -6.147 -5.890 171 HZ2 LYS 17 HZ2 LYS 17 38.129 -4.674 -6.603 172 HZ3 LYS 17 HZ3 LYS 17 39.419 -4.723 -5.500 Start of MODEL 6 1 H1 GLU 1 HT1 GLU 1 56.060 16.778 -17.044 2 H2 GLU 1 HT2 GLU 1 55.098 17.674 -18.121 3 H3 GLU 1 HT3 GLU 1 54.382 16.521 -17.100 4 HA GLU 1 HA GLU 1 55.881 18.374 -15.613 5 HB2 GLU 1 HB2 GLU 1 55.242 19.818 -17.674 6 HB3 GLU 1 HB1 GLU 1 53.520 19.596 -17.209 7 HG2 GLU 1 HG2 GLU 1 53.949 20.769 -15.007 8 HG3 GLU 1 HG1 GLU 1 55.697 20.944 -15.431 9 H MET 2 HN MET 2 52.411 17.653 -16.602 10 HA MET 2 HA MET 2 51.896 16.886 -13.799 11 HB2 MET 2 HB2 MET 2 50.041 18.531 -15.655 12 HB3 MET 2 HB1 MET 2 49.517 17.798 -14.096 13 HG2 MET 2 HG2 MET 2 51.182 19.205 -12.871 14 HG3 MET 2 HG1 MET 2 51.711 19.940 -14.421 15 HE1 MET 2 HE1 MET 2 51.386 22.282 -13.371 16 HE2 MET 2 HE2 MET 2 50.839 21.512 -11.841 17 HE3 MET 2 HE3 MET 2 49.886 22.853 -12.563 18 H ARG 3 HN ARG 3 50.309 15.194 -13.547 19 HA ARG 3 HA ARG 3 49.995 13.561 -15.981 20 HB2 ARG 3 HB2 ARG 3 49.887 12.836 -12.978 21 HB3 ARG 3 HB1 ARG 3 49.433 11.687 -14.286 22 HG2 ARG 3 HG2 ARG 3 51.756 11.849 -15.237 23 HG3 ARG 3 HG1 ARG 3 52.214 12.981 -13.914 24 HD2 ARG 3 HD2 ARG 3 51.766 11.189 -12.199 25 HD3 ARG 3 HD1 ARG 3 51.268 10.041 -13.522 26 HE ARG 3 HE ARG 3 53.913 11.065 -14.106 27 HH11 ARG 3 HH11 ARG 3 52.239 8.871 -11.774 28 HH12 ARG 3 HH12 ARG 3 53.643 7.901 -11.476 29 HH21 ARG 3 HH21 ARG 3 55.781 9.714 -13.661 30 HH22 ARG 3 HH22 ARG 3 55.667 8.386 -12.555 31 H LEU 4 HN LEU 4 47.892 12.248 -16.039 32 HA LEU 4 HA LEU 4 45.662 14.053 -15.700 33 HB2 LEU 4 HB2 LEU 4 45.727 11.195 -16.821 34 HB3 LEU 4 HB1 LEU 4 44.349 12.342 -16.954 35 HG LEU 4 HG LEU 4 47.122 12.760 -18.252 36 HD11 LEU 4 HD11 LEU 4 44.488 11.862 -19.593 37 HD12 LEU 4 HD12 LEU 4 45.880 10.785 -19.196 38 HD13 LEU 4 HD13 LEU 4 46.087 12.117 -20.395 39 HD21 LEU 4 HD21 LEU 4 46.210 14.975 -18.043 40 HD22 LEU 4 HD22 LEU 4 44.523 14.424 -18.362 41 HD23 LEU 4 HD23 LEU 4 45.725 14.475 -19.705 42 H SER 5 HN SER 5 43.510 13.111 -14.901 43 HA SER 5 HA SER 5 43.954 11.929 -12.293 44 HB2 SER 5 HB2 SER 5 41.346 12.796 -13.732 45 HB3 SER 5 HB1 SER 5 41.428 12.192 -12.024 46 HG SER 5 HG SER 5 43.150 14.253 -12.732 47 H LYS 6 HN LYS 6 43.325 10.929 -15.558 48 HA LYS 6 HA LYS 6 42.028 8.410 -14.873 49 HB2 LYS 6 HB2 LYS 6 43.143 9.513 -17.543 50 HB3 LYS 6 HB1 LYS 6 42.219 7.973 -17.359 51 HG2 LYS 6 HG2 LYS 6 40.226 9.266 -16.533 52 HG3 LYS 6 HG1 LYS 6 41.141 10.803 -16.720 53 HD2 LYS 6 HD2 LYS 6 41.370 10.354 -19.185 54 HD3 LYS 6 HD1 LYS 6 40.430 8.833 -18.984 55 HE2 LYS 6 HE2 LYS 6 38.423 10.161 -18.224 56 HE3 LYS 6 HE1 LYS 6 39.371 11.696 -18.396 57 HZ1 LYS 6 HZ1 LYS 6 39.178 11.640 -20.599 58 HZ2 LYS 6 HZ2 LYS 6 37.832 10.653 -20.288 59 HZ3 LYS 6 HZ3 LYS 6 39.317 9.953 -20.725 60 H PHE 7 HN PHE 7 45.268 9.849 -15.206 61 HA PHE 7 HA PHE 7 46.698 7.411 -15.754 62 HB2 PHE 7 HB2 PHE 7 47.276 10.266 -15.350 63 HB3 PHE 7 HB1 PHE 7 48.371 9.307 -14.278 64 HD1 PHE 7 HD1 PHE 7 47.247 9.760 -17.847 65 HD2 PHE 7 HD2 PHE 7 50.296 8.291 -15.244 66 HE1 PHE 7 HE1 PHE 7 48.716 9.435 -19.742 67 HE2 PHE 7 HE2 PHE 7 51.756 7.973 -17.173 68 HZ PHE 7 HZ PHE 7 50.977 8.541 -19.425 69 H PHE 8 HN PHE 8 45.380 9.132 -13.056 70 HA PHE 8 HA PHE 8 46.984 7.769 -11.093 71 HB2 PHE 8 HB2 PHE 8 45.574 10.306 -11.485 72 HB3 PHE 8 HB1 PHE 8 44.965 9.493 -9.996 73 HD1 PHE 8 HD1 PHE 8 48.348 9.527 -11.605 74 HD2 PHE 8 HD2 PHE 8 46.029 10.614 -8.167 75 HE1 PHE 8 HE1 PHE 8 50.309 10.498 -10.588 76 HE2 PHE 8 HE2 PHE 8 48.054 11.542 -7.122 77 HZ PHE 8 HZ PHE 8 50.199 11.493 -8.327 78 H ARG 9 HN ARG 9 44.042 7.452 -12.742 79 HA ARG 9 HA ARG 9 42.798 5.980 -10.606 80 HB2 ARG 9 HB2 ARG 9 41.523 7.434 -12.255 81 HB3 ARG 9 HB1 ARG 9 42.099 6.390 -13.594 82 HG2 ARG 9 HG2 ARG 9 40.822 4.516 -12.788 83 HG3 ARG 9 HG1 ARG 9 40.404 5.358 -11.255 84 HD2 ARG 9 HD2 ARG 9 39.088 7.057 -12.528 85 HD3 ARG 9 HD1 ARG 9 39.529 6.228 -14.091 86 HE ARG 9 HE ARG 9 38.369 4.228 -12.419 87 HH11 ARG 9 HH11 ARG 9 37.315 7.325 -13.942 88 HH12 ARG 9 HH12 ARG 9 35.652 6.854 -14.053 89 HH21 ARG 9 HH21 ARG 9 36.116 3.646 -12.590 90 HH22 ARG 9 HH22 ARG 9 34.966 4.744 -13.275 91 H ASP 10 HN ASP 10 44.911 5.501 -13.448 92 HA ASP 10 HA ASP 10 44.420 2.631 -13.268 93 HB2 ASP 10 HB2 ASP 10 46.431 4.221 -14.998 94 HB3 ASP 10 HB1 ASP 10 46.174 2.441 -15.121 95 H PHE 11 HN PHE 11 46.787 4.993 -12.049 96 HA PHE 11 HA PHE 11 48.596 2.910 -11.395 97 HB2 PHE 11 HB2 PHE 11 50.180 4.483 -11.680 98 HB3 PHE 11 HB1 PHE 11 48.882 5.702 -11.873 99 HD1 PHE 11 HD1 PHE 11 51.034 4.048 -9.167 100 HD2 PHE 11 HD2 PHE 11 48.482 7.211 -10.379 101 HE1 PHE 11 HE1 PHE 11 51.326 5.166 -7.009 102 HE2 PHE 11 HE2 PHE 11 48.792 8.290 -8.292 103 HZ PHE 11 HZ PHE 11 50.149 7.303 -6.559 104 H ILE 12 HN ILE 12 46.433 4.945 -9.442 105 HA ILE 12 HA ILE 12 47.433 3.973 -7.000 106 HB ILE 12 HB ILE 12 44.857 5.232 -7.911 107 HG12 ILE 12 HG12 ILE 12 47.214 6.240 -6.237 108 HG13 ILE 12 HG11 ILE 12 46.982 6.400 -8.010 109 HG21 ILE 12 HG21 ILE 12 45.608 4.338 -4.997 110 HG22 ILE 12 HG22 ILE 12 44.089 3.966 -5.897 111 HG23 ILE 12 HG23 ILE 12 44.396 5.634 -5.318 112 HD11 ILE 12 HD11 ILE 12 46.404 8.453 -6.852 113 HD12 ILE 12 HD12 ILE 12 45.127 7.601 -5.905 114 HD13 ILE 12 HD13 ILE 12 44.965 7.741 -7.705 115 H LEU 13 HN LEU 13 44.995 2.828 -9.288 116 HA LEU 13 HA LEU 13 43.691 1.107 -7.424 117 HB2 LEU 13 HB2 LEU 13 43.721 1.542 -10.401 118 HB3 LEU 13 HB1 LEU 13 42.761 0.181 -9.716 119 HG LEU 13 HG LEU 13 41.553 2.363 -10.217 120 HD11 LEU 13 HD11 LEU 13 39.981 2.232 -8.316 121 HD12 LEU 13 HD12 LEU 13 41.214 1.347 -7.343 122 HD13 LEU 13 HD13 LEU 13 40.524 0.590 -8.826 123 HD21 LEU 13 HD21 LEU 13 42.623 3.571 -7.584 124 HD22 LEU 13 HD22 LEU 13 41.568 4.331 -8.826 125 HD23 LEU 13 HD23 LEU 13 43.299 4.000 -9.211 126 H GLN 14 HN GLN 14 46.437 0.642 -9.666 127 HA GLN 14 HA GLN 14 46.409 -2.236 -9.412 128 HB2 GLN 14 HB2 GLN 14 48.548 -0.292 -10.473 129 HB3 GLN 14 HB1 GLN 14 48.778 -2.084 -10.441 130 HG2 GLN 14 HG2 GLN 14 46.743 -2.363 -11.922 131 HG3 GLN 14 HG1 GLN 14 46.560 -0.570 -11.993 132 HE21 GLN 14 HE21 GLN 14 48.342 0.719 -13.081 133 HE22 GLN 14 HE22 GLN 14 49.383 -0.052 -14.229 134 H ARG 15 HN ARG 15 47.454 0.320 -7.255 135 HA ARG 15 HA ARG 15 49.453 -1.425 -5.986 136 HB2 ARG 15 HB2 ARG 15 48.868 1.559 -5.629 137 HB3 ARG 15 HB1 ARG 15 50.068 0.631 -4.648 138 HG2 ARG 15 HG2 ARG 15 51.208 -0.035 -6.864 139 HG3 ARG 15 HG1 ARG 15 50.129 1.149 -7.684 140 HD2 ARG 15 HD2 ARG 15 51.030 2.971 -6.157 141 HD3 ARG 15 HD1 ARG 15 52.173 1.743 -5.455 142 HE ARG 15 HE ARG 15 52.440 1.750 -8.341 143 HH11 ARG 15 HH11 ARG 15 53.226 3.803 -5.477 144 HH12 ARG 15 HH12 ARG 15 54.553 4.601 -6.252 145 HH21 ARG 15 HH21 ARG 15 54.239 2.867 -9.337 146 HH22 ARG 15 HH22 ARG 15 55.132 4.065 -8.462 147 H LYS 16 HN LYS 16 46.308 -1.624 -5.884 148 HA LYS 16 HA LYS 16 45.916 -1.251 -2.997 149 HB2 LYS 16 HB2 LYS 16 43.968 -1.987 -5.241 150 HB3 LYS 16 HB1 LYS 16 43.529 -1.985 -3.490 151 HG2 LYS 16 HG2 LYS 16 44.315 0.488 -3.427 152 HG3 LYS 16 HG1 LYS 16 44.403 0.403 -5.222 153 HD2 LYS 16 HD2 LYS 16 41.999 -0.214 -5.331 154 HD3 LYS 16 HD1 LYS 16 41.918 -0.203 -3.534 155 HE2 LYS 16 HE2 LYS 16 42.443 2.276 -3.526 156 HE3 LYS 16 HE1 LYS 16 42.505 2.258 -5.338 157 HZ1 LYS 16 HZ1 LYS 16 40.333 2.415 -5.400 158 HZ2 LYS 16 HZ2 LYS 16 40.304 2.615 -3.714 159 HZ3 LYS 16 HZ3 LYS 16 40.107 1.069 -4.388 160 H LYS 17 HN LYS 17 46.986 -3.556 -5.311 161 HA LYS 17 HA LYS 17 47.378 -5.674 -5.361 162 HB2 LYS 17 HB2 LYS 17 47.189 -5.714 -2.278 163 HB3 LYS 17 HB1 LYS 17 47.920 -7.001 -3.297 164 HG2 LYS 17 HG2 LYS 17 49.904 -5.944 -2.962 165 HG3 LYS 17 HG1 LYS 17 49.344 -4.741 -4.168 166 HD2 LYS 17 HD2 LYS 17 48.483 -3.272 -2.346 167 HD3 LYS 17 HD1 LYS 17 48.923 -4.502 -1.110 168 HE2 LYS 17 HE2 LYS 17 51.381 -4.243 -1.801 169 HE3 LYS 17 HE1 LYS 17 50.878 -2.917 -2.929 170 HZ1 LYS 17 HZ1 LYS 17 51.265 -1.661 -1.165 171 HZ2 LYS 17 HZ2 LYS 17 51.143 -2.936 -0.048 172 HZ3 LYS 17 HZ3 LYS 17 49.739 -2.168 -0.618 Start of MODEL 7 1 H1 GLU 1 HT1 GLU 1 50.458 22.742 -15.524 2 H2 GLU 1 HT2 GLU 1 48.824 22.703 -15.064 3 H3 GLU 1 HT3 GLU 1 49.305 23.626 -16.405 4 HA GLU 1 HA GLU 1 48.292 21.153 -16.503 5 HB2 GLU 1 HB2 GLU 1 50.189 22.616 -18.466 6 HB3 GLU 1 HB1 GLU 1 49.346 21.084 -18.910 7 HG2 GLU 1 HG2 GLU 1 47.102 22.184 -18.547 8 HG3 GLU 1 HG1 GLU 1 47.925 23.724 -18.086 9 H MET 2 HN MET 2 48.956 19.195 -15.700 10 HA MET 2 HA MET 2 51.831 18.532 -15.937 11 HB2 MET 2 HB2 MET 2 49.758 17.602 -13.832 12 HB3 MET 2 HB1 MET 2 51.425 16.936 -13.984 13 HG2 MET 2 HG2 MET 2 52.390 19.176 -13.469 14 HG3 MET 2 HG1 MET 2 50.753 19.891 -13.393 15 HE1 MET 2 HE1 MET 2 53.546 17.878 -11.821 16 HE2 MET 2 HE2 MET 2 52.433 16.468 -11.869 17 HE3 MET 2 HE3 MET 2 52.909 17.182 -10.292 18 H ARG 3 HN ARG 3 48.446 17.184 -15.797 19 HA ARG 3 HA ARG 3 47.401 15.585 -16.836 20 HB2 ARG 3 HB2 ARG 3 48.323 16.886 -18.938 21 HB3 ARG 3 HB1 ARG 3 49.450 15.508 -19.141 22 HG2 ARG 3 HG2 ARG 3 47.479 13.936 -19.313 23 HG3 ARG 3 HG1 ARG 3 46.356 15.328 -19.102 24 HD2 ARG 3 HD2 ARG 3 47.309 16.375 -21.238 25 HD3 ARG 3 HD1 ARG 3 48.325 14.880 -21.464 26 HE ARG 3 HE ARG 3 45.600 14.040 -21.102 27 HH11 ARG 3 HH11 ARG 3 47.568 15.880 -23.504 28 HH12 ARG 3 HH12 ARG 3 46.578 15.434 -24.852 29 HH21 ARG 3 HH21 ARG 3 44.297 13.469 -22.961 30 HH22 ARG 3 HH22 ARG 3 44.703 14.054 -24.540 31 H LEU 4 HN LEU 4 48.246 14.394 -14.850 32 HA LEU 4 HA LEU 4 49.507 11.903 -15.762 33 HB2 LEU 4 HB2 LEU 4 50.203 13.471 -13.178 34 HB3 LEU 4 HB1 LEU 4 50.662 11.751 -13.434 35 HG LEU 4 HG LEU 4 51.609 14.075 -15.233 36 HD11 LEU 4 HD11 LEU 4 52.465 14.383 -12.905 37 HD12 LEU 4 HD12 LEU 4 53.799 13.952 -14.038 38 HD13 LEU 4 HD13 LEU 4 53.134 12.706 -12.913 39 HD21 LEU 4 HD21 LEU 4 51.850 12.076 -16.545 40 HD22 LEU 4 HD22 LEU 4 52.356 11.079 -15.128 41 HD23 LEU 4 HD23 LEU 4 53.481 12.309 -15.818 42 H SER 5 HN SER 5 46.674 12.711 -15.520 43 HA SER 5 HA SER 5 45.786 11.641 -12.976 44 HB2 SER 5 HB2 SER 5 44.192 12.628 -15.434 45 HB3 SER 5 HB1 SER 5 43.442 12.089 -13.874 46 HG SER 5 HG SER 5 45.475 13.994 -13.771 47 H LYS 6 HN LYS 6 46.415 10.389 -16.227 48 HA LYS 6 HA LYS 6 44.601 8.131 -15.908 49 HB2 LYS 6 HB2 LYS 6 46.725 8.771 -18.051 50 HB3 LYS 6 HB1 LYS 6 45.630 7.336 -18.092 51 HG2 LYS 6 HG2 LYS 6 43.634 8.880 -18.147 52 HG3 LYS 6 HG1 LYS 6 44.740 10.298 -18.154 53 HD2 LYS 6 HD2 LYS 6 45.736 9.507 -20.318 54 HD3 LYS 6 HD1 LYS 6 44.627 8.090 -20.306 55 HE2 LYS 6 HE2 LYS 6 42.636 9.638 -20.444 56 HE3 LYS 6 HE1 LYS 6 43.749 11.068 -20.444 57 HZ1 LYS 6 HZ1 LYS 6 43.256 9.056 -22.528 58 HZ2 LYS 6 HZ2 LYS 6 44.786 9.787 -22.446 59 HZ3 LYS 6 HZ3 LYS 6 43.397 10.745 -22.638 60 H PHE 7 HN PHE 7 47.785 9.063 -14.989 61 HA PHE 7 HA PHE 7 49.049 6.481 -15.045 62 HB2 PHE 7 HB2 PHE 7 49.736 9.308 -14.045 63 HB3 PHE 7 HB1 PHE 7 50.771 7.910 -13.549 64 HD1 PHE 7 HD1 PHE 7 49.467 9.757 -16.592 65 HD2 PHE 7 HD2 PHE 7 52.470 7.149 -15.015 66 HE1 PHE 7 HE1 PHE 7 50.759 9.979 -18.648 67 HE2 PHE 7 HE2 PHE 7 53.736 7.394 -17.086 68 HZ PHE 7 HZ PHE 7 52.889 8.803 -18.900 69 H PHE 8 HN PHE 8 47.277 8.597 -12.871 70 HA PHE 8 HA PHE 8 48.201 7.185 -10.530 71 HB2 PHE 8 HB2 PHE 8 47.296 9.845 -11.335 72 HB3 PHE 8 HB1 PHE 8 46.299 9.242 -9.965 73 HD1 PHE 8 HD1 PHE 8 49.906 8.694 -10.838 74 HD2 PHE 8 HD2 PHE 8 47.134 10.345 -8.018 75 HE1 PHE 8 HE1 PHE 8 51.754 9.509 -9.501 76 HE2 PHE 8 HE2 PHE 8 49.023 11.102 -6.637 77 HZ PHE 8 HZ PHE 8 51.334 10.696 -7.371 78 H ARG 9 HN ARG 9 45.506 7.153 -12.702 79 HA ARG 9 HA ARG 9 43.875 6.013 -10.581 80 HB2 ARG 9 HB2 ARG 9 42.063 5.777 -12.158 81 HB3 ARG 9 HB1 ARG 9 42.754 7.425 -12.325 82 HG2 ARG 9 HG2 ARG 9 44.090 6.505 -14.347 83 HG3 ARG 9 HG1 ARG 9 43.070 5.030 -14.232 84 HD2 ARG 9 HD2 ARG 9 40.999 6.450 -14.473 85 HD3 ARG 9 HD1 ARG 9 42.064 7.920 -14.654 86 HE ARG 9 HE ARG 9 42.869 5.846 -16.546 87 HH11 ARG 9 HH11 ARG 9 40.291 8.319 -16.022 88 HH12 ARG 9 HH12 ARG 9 39.926 8.476 -17.708 89 HH21 ARG 9 HH21 ARG 9 42.335 6.102 -18.798 90 HH22 ARG 9 HH22 ARG 9 41.097 7.206 -19.297 91 H ASP 10 HN ASP 10 46.171 4.969 -13.086 92 HA ASP 10 HA ASP 10 45.144 2.258 -12.684 93 HB2 ASP 10 HB2 ASP 10 47.312 3.439 -14.515 94 HB3 ASP 10 HB1 ASP 10 47.188 1.657 -14.278 95 H PHE 11 HN PHE 11 47.525 4.365 -11.244 96 HA PHE 11 HA PHE 11 48.962 2.098 -10.295 97 HB2 PHE 11 HB2 PHE 11 50.798 3.407 -10.410 98 HB3 PHE 11 HB1 PHE 11 49.744 4.779 -10.857 99 HD1 PHE 11 HD1 PHE 11 51.110 3.011 -7.746 100 HD2 PHE 11 HD2 PHE 11 49.483 6.482 -9.553 101 HE1 PHE 11 HE1 PHE 11 51.283 4.237 -5.636 102 HE2 PHE 11 HE2 PHE 11 49.674 7.661 -7.490 103 HZ PHE 11 HZ PHE 11 50.523 6.585 -5.510 104 H ILE 12 HN ILE 12 46.917 4.583 -8.818 105 HA ILE 12 HA ILE 12 47.370 3.658 -6.200 106 HB ILE 12 HB ILE 12 45.235 5.261 -7.587 107 HG12 ILE 12 HG12 ILE 12 47.419 6.015 -5.583 108 HG13 ILE 12 HG11 ILE 12 47.558 6.011 -7.371 109 HG21 ILE 12 HG21 ILE 12 45.366 4.529 -4.539 110 HG22 ILE 12 HG22 ILE 12 43.963 4.301 -5.650 111 HG23 ILE 12 HG23 ILE 12 44.450 5.954 -5.152 112 HD11 ILE 12 HD11 ILE 12 47.158 8.249 -6.494 113 HD12 ILE 12 HD12 ILE 12 45.575 7.723 -5.801 114 HD13 ILE 12 HD13 ILE 12 45.821 7.703 -7.596 115 H LEU 13 HN LEU 13 45.080 2.789 -8.747 116 HA LEU 13 HA LEU 13 43.222 1.529 -6.987 117 HB2 LEU 13 HB2 LEU 13 43.712 1.681 -9.949 118 HB3 LEU 13 HB1 LEU 13 42.410 0.615 -9.321 119 HG LEU 13 HG LEU 13 41.729 2.897 -10.142 120 HD11 LEU 13 HD11 LEU 13 40.904 2.404 -7.221 121 HD12 LEU 13 HD12 LEU 13 40.254 1.520 -8.655 122 HD13 LEU 13 HD13 LEU 13 39.969 3.292 -8.485 123 HD21 LEU 13 HD21 LEU 13 42.701 4.221 -7.535 124 HD22 LEU 13 HD22 LEU 13 42.050 4.982 -9.034 125 HD23 LEU 13 HD23 LEU 13 43.692 4.240 -9.050 126 H GLN 14 HN GLN 14 45.925 0.269 -8.995 127 HA GLN 14 HA GLN 14 45.087 -2.471 -8.643 128 HB2 GLN 14 HB2 GLN 14 47.705 -1.319 -9.784 129 HB3 GLN 14 HB1 GLN 14 47.204 -3.054 -9.872 130 HG2 GLN 14 HG2 GLN 14 45.148 -2.376 -11.211 131 HG3 GLN 14 HG1 GLN 14 45.709 -0.655 -11.144 132 HE21 GLN 14 HE21 GLN 14 45.734 -0.794 -13.604 133 HE22 GLN 14 HE22 GLN 14 47.115 -1.480 -14.388 134 H ARG 15 HN ARG 15 46.657 -0.418 -6.344 135 HA ARG 15 HA ARG 15 48.445 -2.533 -5.403 136 HB2 ARG 15 HB2 ARG 15 48.019 0.344 -4.488 137 HB3 ARG 15 HB1 ARG 15 49.081 -0.824 -3.609 138 HG2 ARG 15 HG2 ARG 15 50.334 -1.198 -5.821 139 HG3 ARG 15 HG1 ARG 15 49.384 0.165 -6.506 140 HD2 ARG 15 HD2 ARG 15 50.296 1.691 -4.714 141 HD3 ARG 15 HD1 ARG 15 51.268 0.296 -4.068 142 HE ARG 15 HE ARG 15 51.821 0.621 -6.895 143 HH11 ARG 15 HH11 ARG 15 52.472 2.239 -3.734 144 HH12 ARG 15 HH12 ARG 15 53.928 3.001 -4.278 145 HH21 ARG 15 HH21 ARG 15 53.785 1.692 -7.579 146 HH22 ARG 15 HH22 ARG 15 54.678 2.689 -6.479 147 H LYS 16 HN LYS 16 45.160 -1.866 -5.071 148 HA LYS 16 HA LYS 16 45.133 -2.982 -2.341 149 HB2 LYS 16 HB2 LYS 16 43.004 -1.217 -3.721 150 HB3 LYS 16 HB1 LYS 16 42.832 -1.956 -2.089 151 HG2 LYS 16 HG2 LYS 16 45.041 0.087 -2.825 152 HG3 LYS 16 HG1 LYS 16 43.440 0.537 -2.159 153 HD2 LYS 16 HD2 LYS 16 43.944 -0.896 -0.103 154 HD3 LYS 16 HD1 LYS 16 45.582 -1.216 -0.753 155 HE2 LYS 16 HE2 LYS 16 44.529 1.645 -0.178 156 HE3 LYS 16 HE1 LYS 16 45.440 0.647 1.025 157 HZ1 LYS 16 HZ1 LYS 16 46.719 2.279 -0.388 158 HZ2 LYS 16 HZ2 LYS 16 46.504 1.205 -1.688 159 HZ3 LYS 16 HZ3 LYS 16 47.330 0.696 -0.294 160 H LYS 17 HN LYS 17 44.849 -3.714 -5.629 161 HA LYS 17 HA LYS 17 42.619 -5.545 -5.230 162 HB2 LYS 17 HB2 LYS 17 44.228 -4.630 -7.682 163 HB3 LYS 17 HB1 LYS 17 43.042 -5.987 -7.764 164 HG2 LYS 17 HG2 LYS 17 41.199 -4.486 -7.082 165 HG3 LYS 17 HG1 LYS 17 42.341 -3.119 -6.850 166 HD2 LYS 17 HD2 LYS 17 42.920 -3.166 -9.266 167 HD3 LYS 17 HD1 LYS 17 41.812 -4.561 -9.530 168 HE2 LYS 17 HE2 LYS 17 39.843 -3.112 -8.835 169 HE3 LYS 17 HE1 LYS 17 40.972 -1.714 -8.602 170 HZ1 LYS 17 HZ1 LYS 17 41.619 -2.202 -11.017 171 HZ2 LYS 17 HZ2 LYS 17 40.139 -1.434 -10.702 172 HZ3 LYS 17 HZ3 LYS 17 40.171 -3.085 -11.095 Start of MODEL 8 1 H1 GLU 1 HT1 GLU 1 51.835 21.941 -21.235 2 H2 GLU 1 HT2 GLU 1 52.791 20.881 -20.315 3 H3 GLU 1 HT3 GLU 1 52.448 22.438 -19.730 4 HA GLU 1 HA GLU 1 50.800 21.568 -18.619 5 HB2 GLU 1 HB2 GLU 1 49.733 21.203 -21.500 6 HB3 GLU 1 HB1 GLU 1 48.708 20.831 -20.064 7 HG2 GLU 1 HG2 GLU 1 48.942 23.215 -19.253 8 HG3 GLU 1 HG1 GLU 1 49.974 23.603 -20.685 9 H MET 2 HN MET 2 50.856 19.754 -17.364 10 HA MET 2 HA MET 2 50.902 17.133 -18.724 11 HB2 MET 2 HB2 MET 2 52.491 17.968 -16.200 12 HB3 MET 2 HB1 MET 2 52.311 16.269 -16.768 13 HG2 MET 2 HG2 MET 2 53.482 16.855 -18.899 14 HG3 MET 2 HG1 MET 2 53.662 18.551 -18.342 15 HE1 MET 2 HE1 MET 2 57.308 17.161 -18.296 16 HE2 MET 2 HE2 MET 2 56.177 18.423 -18.895 17 HE3 MET 2 HE3 MET 2 55.978 16.715 -19.420 18 H ARG 3 HN ARG 3 49.817 15.421 -17.523 19 HA ARG 3 HA ARG 3 48.027 16.408 -15.389 20 HB2 ARG 3 HB2 ARG 3 47.353 14.478 -17.711 21 HB3 ARG 3 HB1 ARG 3 46.296 14.744 -16.276 22 HG2 ARG 3 HG2 ARG 3 45.983 17.133 -16.900 23 HG3 ARG 3 HG1 ARG 3 47.122 16.955 -18.275 24 HD2 ARG 3 HD2 ARG 3 44.794 16.887 -19.134 25 HD3 ARG 3 HD1 ARG 3 45.528 15.232 -19.320 26 HE ARG 3 HE ARG 3 44.141 15.446 -16.758 27 HH11 ARG 3 HH11 ARG 3 43.465 15.142 -20.292 28 HH12 ARG 3 HH12 ARG 3 41.975 14.290 -20.062 29 HH21 ARG 3 HH21 ARG 3 42.133 14.287 -16.511 30 HH22 ARG 3 HH22 ARG 3 41.214 13.802 -17.896 31 H LEU 4 HN LEU 4 47.586 14.894 -13.713 32 HA LEU 4 HA LEU 4 49.139 12.400 -13.815 33 HB2 LEU 4 HB2 LEU 4 48.939 14.419 -11.487 34 HB3 LEU 4 HB1 LEU 4 49.523 12.735 -11.257 35 HG LEU 4 HG LEU 4 50.876 14.757 -13.157 36 HD11 LEU 4 HD11 LEU 4 51.658 14.068 -10.241 37 HD12 LEU 4 HD12 LEU 4 50.957 15.630 -10.815 38 HD13 LEU 4 HD13 LEU 4 52.593 15.118 -11.375 39 HD21 LEU 4 HD21 LEU 4 51.746 11.979 -12.093 40 HD22 LEU 4 HD22 LEU 4 52.902 13.154 -12.828 41 HD23 LEU 4 HD23 LEU 4 51.541 12.503 -13.809 42 H SER 5 HN SER 5 46.237 13.061 -14.435 43 HA SER 5 HA SER 5 44.816 12.131 -12.097 44 HB2 SER 5 HB2 SER 5 43.837 12.841 -14.937 45 HB3 SER 5 HB1 SER 5 42.739 12.327 -13.589 46 HG SER 5 HG SER 5 44.510 14.551 -13.589 47 H LYS 6 HN LYS 6 45.759 10.797 -15.342 48 HA LYS 6 HA LYS 6 44.290 8.322 -14.848 49 HB2 LYS 6 HB2 LYS 6 46.202 9.177 -17.113 50 HB3 LYS 6 HB1 LYS 6 45.377 7.573 -17.036 51 HG2 LYS 6 HG2 LYS 6 43.135 8.784 -17.015 52 HG3 LYS 6 HG1 LYS 6 44.014 10.340 -17.232 53 HD2 LYS 6 HD2 LYS 6 44.964 9.516 -19.398 54 HD3 LYS 6 HD1 LYS 6 44.143 7.938 -19.167 55 HE2 LYS 6 HE2 LYS 6 42.797 9.226 -20.752 56 HE3 LYS 6 HE1 LYS 6 41.880 9.211 -19.193 57 HZ1 LYS 6 HZ1 LYS 6 42.086 11.379 -20.426 58 HZ2 LYS 6 HZ2 LYS 6 43.714 11.423 -19.945 59 HZ3 LYS 6 HZ3 LYS 6 42.485 11.406 -18.775 60 H PHE 7 HN PHE 7 47.367 9.673 -14.029 61 HA PHE 7 HA PHE 7 49.004 7.343 -14.082 62 HB2 PHE 7 HB2 PHE 7 49.112 10.134 -12.827 63 HB3 PHE 7 HB1 PHE 7 50.303 8.894 -12.270 64 HD1 PHE 7 HD1 PHE 7 49.055 10.651 -15.406 65 HD2 PHE 7 HD2 PHE 7 52.285 8.574 -13.513 66 HE1 PHE 7 HE1 PHE 7 50.530 11.216 -17.262 67 HE2 PHE 7 HE2 PHE 7 53.728 9.160 -15.389 68 HZ PHE 7 HZ PHE 7 52.860 10.475 -17.261 69 H PHE 8 HN PHE 8 46.832 8.974 -11.864 70 HA PHE 8 HA PHE 8 47.690 7.413 -9.599 71 HB2 PHE 8 HB2 PHE 8 46.552 10.034 -10.239 72 HB3 PHE 8 HB1 PHE 8 45.508 9.182 -9.045 73 HD1 PHE 8 HD1 PHE 8 49.218 9.150 -9.590 74 HD2 PHE 8 HD2 PHE 8 46.021 10.142 -6.913 75 HE1 PHE 8 HE1 PHE 8 50.823 9.992 -7.991 76 HE2 PHE 8 HE2 PHE 8 47.672 10.932 -5.269 77 HZ PHE 8 HZ PHE 8 50.074 10.866 -5.799 78 H ARG 9 HN ARG 9 45.381 7.374 -12.072 79 HA ARG 9 HA ARG 9 43.443 5.922 -10.536 80 HB2 ARG 9 HB2 ARG 9 42.956 7.520 -12.485 81 HB3 ARG 9 HB1 ARG 9 43.806 6.383 -13.577 82 HG2 ARG 9 HG2 ARG 9 42.119 4.654 -13.158 83 HG3 ARG 9 HG1 ARG 9 41.313 5.683 -11.929 84 HD2 ARG 9 HD2 ARG 9 39.994 5.928 -13.940 85 HD3 ARG 9 HD1 ARG 9 41.000 7.439 -13.824 86 HE ARG 9 HE ARG 9 42.433 5.460 -15.386 87 HH11 ARG 9 HH11 ARG 9 39.578 7.652 -15.637 88 HH12 ARG 9 HH12 ARG 9 39.665 7.778 -17.362 89 HH21 ARG 9 HH21 ARG 9 42.505 5.668 -17.708 90 HH22 ARG 9 HH22 ARG 9 41.343 6.641 -18.546 91 H ASP 10 HN ASP 10 46.239 5.361 -12.687 92 HA ASP 10 HA ASP 10 45.585 2.518 -12.710 93 HB2 ASP 10 HB2 ASP 10 48.023 4.041 -13.842 94 HB3 ASP 10 HB1 ASP 10 47.773 2.265 -14.032 95 H PHE 11 HN PHE 11 47.630 4.719 -10.791 96 HA PHE 11 HA PHE 11 49.111 2.505 -9.816 97 HB2 PHE 11 HB2 PHE 11 50.772 3.997 -9.506 98 HB3 PHE 11 HB1 PHE 11 49.637 5.296 -9.978 99 HD1 PHE 11 HD1 PHE 11 50.798 3.362 -6.875 100 HD2 PHE 11 HD2 PHE 11 48.924 6.762 -8.566 101 HE1 PHE 11 HE1 PHE 11 50.489 4.347 -4.656 102 HE2 PHE 11 HE2 PHE 11 48.653 7.713 -6.410 103 HZ PHE 11 HZ PHE 11 49.365 6.543 -4.427 104 H ILE 12 HN ILE 12 46.581 4.538 -8.386 105 HA ILE 12 HA ILE 12 46.826 3.363 -5.845 106 HB ILE 12 HB ILE 12 44.647 4.794 -7.348 107 HG12 ILE 12 HG12 ILE 12 46.475 5.629 -5.043 108 HG13 ILE 12 HG11 ILE 12 46.738 5.887 -6.800 109 HG21 ILE 12 HG21 ILE 12 44.551 3.755 -4.391 110 HG22 ILE 12 HG22 ILE 12 43.342 3.440 -5.690 111 HG23 ILE 12 HG23 ILE 12 43.486 5.082 -4.984 112 HD11 ILE 12 HD11 ILE 12 45.903 7.898 -5.725 113 HD12 ILE 12 HD12 ILE 12 44.398 7.043 -5.216 114 HD13 ILE 12 HD13 ILE 12 44.742 7.281 -6.981 115 H LEU 13 HN LEU 13 45.038 2.529 -8.782 116 HA LEU 13 HA LEU 13 43.208 0.786 -7.466 117 HB2 LEU 13 HB2 LEU 13 44.006 1.437 -10.288 118 HB3 LEU 13 HB1 LEU 13 42.837 0.105 -9.991 119 HG LEU 13 HG LEU 13 41.881 2.363 -10.591 120 HD11 LEU 13 HD11 LEU 13 40.498 0.569 -9.500 121 HD12 LEU 13 HD12 LEU 13 39.902 2.233 -9.148 122 HD13 LEU 13 HD13 LEU 13 40.826 1.324 -7.893 123 HD21 LEU 13 HD21 LEU 13 41.690 4.269 -9.141 124 HD22 LEU 13 HD22 LEU 13 43.439 3.828 -9.121 125 HD23 LEU 13 HD23 LEU 13 42.377 3.392 -7.724 126 H GLN 14 HN GLN 14 46.319 0.191 -9.212 127 HA GLN 14 HA GLN 14 45.943 -2.654 -9.255 128 HB2 GLN 14 HB2 GLN 14 48.475 -0.962 -9.685 129 HB3 GLN 14 HB1 GLN 14 48.427 -2.758 -9.883 130 HG2 GLN 14 HG2 GLN 14 46.609 -2.471 -11.659 131 HG3 GLN 14 HG1 GLN 14 46.803 -0.681 -11.514 132 HE21 GLN 14 HE21 GLN 14 48.948 0.295 -12.175 133 HE22 GLN 14 HE22 GLN 14 49.992 -0.567 -13.254 134 H ARG 15 HN ARG 15 46.820 -0.593 -6.559 135 HA ARG 15 HA ARG 15 48.496 -2.653 -5.329 136 HB2 ARG 15 HB2 ARG 15 47.665 0.130 -4.377 137 HB3 ARG 15 HB1 ARG 15 48.672 -1.013 -3.404 138 HG2 ARG 15 HG2 ARG 15 50.308 -1.098 -5.389 139 HG3 ARG 15 HG1 ARG 15 49.360 0.238 -6.130 140 HD2 ARG 15 HD2 ARG 15 49.796 1.653 -4.063 141 HD3 ARG 15 HD1 ARG 15 50.823 0.296 -3.415 142 HE ARG 15 HE ARG 15 51.739 0.962 -6.072 143 HH11 ARG 15 HH11 ARG 15 51.679 2.378 -2.753 144 HH12 ARG 15 HH12 ARG 15 53.089 3.352 -3.003 145 HH21 ARG 15 HH21 ARG 15 53.629 2.307 -6.358 146 HH22 ARG 15 HH22 ARG 15 54.203 3.311 -5.069 147 H LYS 16 HN LYS 16 45.225 -2.208 -5.765 148 HA LYS 16 HA LYS 16 44.495 -3.220 -3.099 149 HB2 LYS 16 HB2 LYS 16 42.795 -1.884 -5.270 150 HB3 LYS 16 HB1 LYS 16 42.161 -2.558 -3.716 151 HG2 LYS 16 HG2 LYS 16 43.646 -0.951 -2.442 152 HG3 LYS 16 HG1 LYS 16 44.200 -0.249 -4.004 153 HD2 LYS 16 HD2 LYS 16 41.837 0.359 -4.552 154 HD3 LYS 16 HD1 LYS 16 41.316 -0.328 -2.974 155 HE2 LYS 16 HE2 LYS 16 42.693 1.391 -1.751 156 HE3 LYS 16 HE1 LYS 16 43.256 2.071 -3.333 157 HZ1 LYS 16 HZ1 LYS 16 41.371 3.159 -3.579 158 HZ2 LYS 16 HZ2 LYS 16 41.082 2.853 -1.934 159 HZ3 LYS 16 HZ3 LYS 16 40.395 1.848 -3.118 160 H LYS 17 HN LYS 17 45.111 -4.007 -6.423 161 HA LYS 17 HA LYS 17 43.249 -6.245 -6.394 162 HB2 LYS 17 HB2 LYS 17 44.993 -4.947 -8.571 163 HB3 LYS 17 HB1 LYS 17 44.054 -6.463 -8.845 164 HG2 LYS 17 HG2 LYS 17 41.925 -5.302 -8.427 165 HG3 LYS 17 HG1 LYS 17 42.774 -3.794 -7.950 166 HD2 LYS 17 HD2 LYS 17 43.724 -3.592 -10.249 167 HD3 LYS 17 HD1 LYS 17 42.874 -5.100 -10.746 168 HE2 LYS 17 HE2 LYS 17 40.642 -3.984 -10.301 169 HE3 LYS 17 HE1 LYS 17 41.505 -2.472 -9.803 170 HZ1 LYS 17 HZ1 LYS 17 40.642 -2.694 -12.171 171 HZ2 LYS 17 HZ2 LYS 17 41.974 -3.709 -12.450 172 HZ3 LYS 17 HZ3 LYS 17 42.219 -2.107 -11.945 Start of MODEL 9 1 H1 GLU 1 HT1 GLU 1 46.881 20.877 -16.965 2 H2 GLU 1 HT2 GLU 1 47.190 20.969 -15.297 3 H3 GLU 1 HT3 GLU 1 47.589 19.562 -16.158 4 HA GLU 1 HA GLU 1 48.857 21.574 -17.484 5 HB2 GLU 1 HB2 GLU 1 48.956 21.933 -14.427 6 HB3 GLU 1 HB1 GLU 1 50.384 22.389 -15.429 7 HG2 GLU 1 HG2 GLU 1 48.950 23.992 -16.768 8 HG3 GLU 1 HG1 GLU 1 47.521 23.559 -15.748 9 H MET 2 HN MET 2 49.526 19.537 -14.491 10 HA MET 2 HA MET 2 52.021 18.614 -15.513 11 HB2 MET 2 HB2 MET 2 50.231 17.605 -13.208 12 HB3 MET 2 HB1 MET 2 51.856 16.918 -13.571 13 HG2 MET 2 HG2 MET 2 52.852 19.235 -13.248 14 HG3 MET 2 HG1 MET 2 51.235 19.828 -12.755 15 HE1 MET 2 HE1 MET 2 50.510 18.462 -9.308 16 HE2 MET 2 HE2 MET 2 49.852 17.834 -10.857 17 HE3 MET 2 HE3 MET 2 50.129 19.598 -10.648 18 H ARG 3 HN ARG 3 48.653 17.260 -15.383 19 HA ARG 3 HA ARG 3 47.649 15.557 -16.312 20 HB2 ARG 3 HB2 ARG 3 48.589 16.788 -18.449 21 HB3 ARG 3 HB1 ARG 3 49.745 15.426 -18.576 22 HG2 ARG 3 HG2 ARG 3 47.834 13.807 -18.754 23 HG3 ARG 3 HG1 ARG 3 46.658 15.157 -18.562 24 HD2 ARG 3 HD2 ARG 3 47.616 16.212 -20.714 25 HD3 ARG 3 HD1 ARG 3 48.627 14.711 -20.925 26 HE ARG 3 HE ARG 3 45.928 13.848 -20.538 27 HH11 ARG 3 HH11 ARG 3 47.783 15.772 -22.965 28 HH12 ARG 3 HH12 ARG 3 46.750 15.341 -24.287 29 HH21 ARG 3 HH21 ARG 3 44.566 13.304 -22.358 30 HH22 ARG 3 HH22 ARG 3 44.907 13.929 -23.937 31 H LEU 4 HN LEU 4 48.192 14.249 -14.402 32 HA LEU 4 HA LEU 4 49.675 11.869 -15.162 33 HB2 LEU 4 HB2 LEU 4 51.060 13.830 -13.679 34 HB3 LEU 4 HB1 LEU 4 50.349 12.843 -12.368 35 HG LEU 4 HG LEU 4 51.375 10.778 -13.712 36 HD11 LEU 4 HD11 LEU 4 52.095 11.950 -15.772 37 HD12 LEU 4 HD12 LEU 4 53.533 11.297 -14.908 38 HD13 LEU 4 HD13 LEU 4 53.147 13.057 -14.811 39 HD21 LEU 4 HD21 LEU 4 52.084 11.472 -11.421 40 HD22 LEU 4 HD22 LEU 4 53.214 12.687 -12.128 41 HD23 LEU 4 HD23 LEU 4 53.490 10.926 -12.408 42 H SER 5 HN SER 5 46.800 12.824 -14.648 43 HA SER 5 HA SER 5 46.131 11.559 -12.129 44 HB2 SER 5 HB2 SER 5 44.347 12.829 -14.312 45 HB3 SER 5 HB1 SER 5 43.731 12.174 -12.738 46 HG SER 5 HG SER 5 45.854 13.969 -12.647 47 H LYS 6 HN LYS 6 46.339 10.581 -15.540 48 HA LYS 6 HA LYS 6 44.455 8.372 -15.193 49 HB2 LYS 6 HB2 LYS 6 46.319 9.139 -17.532 50 HB3 LYS 6 HB1 LYS 6 45.159 7.756 -17.558 51 HG2 LYS 6 HG2 LYS 6 43.250 9.364 -17.208 52 HG3 LYS 6 HG1 LYS 6 44.410 10.739 -17.225 53 HD2 LYS 6 HD2 LYS 6 45.089 10.130 -19.566 54 HD3 LYS 6 HD1 LYS 6 43.923 8.760 -19.541 55 HE2 LYS 6 HE2 LYS 6 42.007 10.386 -19.278 56 HE3 LYS 6 HE1 LYS 6 43.182 11.767 -19.291 57 HZ1 LYS 6 HZ1 LYS 6 43.658 10.110 -21.514 58 HZ2 LYS 6 HZ2 LYS 6 43.130 11.723 -21.464 59 HZ3 LYS 6 HZ3 LYS 6 41.998 10.457 -21.445 60 H PHE 7 HN PHE 7 47.824 9.062 -14.649 61 HA PHE 7 HA PHE 7 48.939 6.458 -15.041 62 HB2 PHE 7 HB2 PHE 7 49.781 9.068 -13.661 63 HB3 PHE 7 HB1 PHE 7 50.757 7.573 -13.379 64 HD1 PHE 7 HD1 PHE 7 49.479 9.844 -16.143 65 HD2 PHE 7 HD2 PHE 7 52.430 6.989 -14.949 66 HE1 PHE 7 HE1 PHE 7 50.762 10.308 -18.161 67 HE2 PHE 7 HE2 PHE 7 53.686 7.475 -16.983 68 HZ PHE 7 HZ PHE 7 52.860 9.127 -18.587 69 H PHE 8 HN PHE 8 47.368 8.320 -12.562 70 HA PHE 8 HA PHE 8 48.134 6.543 -10.433 71 HB2 PHE 8 HB2 PHE 8 47.430 9.352 -10.905 72 HB3 PHE 8 HB1 PHE 8 46.345 8.646 -9.645 73 HD1 PHE 8 HD1 PHE 8 49.931 8.000 -10.524 74 HD2 PHE 8 HD2 PHE 8 47.198 9.386 -7.528 75 HE1 PHE 8 HE1 PHE 8 51.787 8.465 -9.057 76 HE2 PHE 8 HE2 PHE 8 49.100 9.796 -6.020 77 HZ PHE 8 HZ PHE 8 51.396 9.341 -6.775 78 H ARG 9 HN ARG 9 45.655 6.989 -12.712 79 HA ARG 9 HA ARG 9 43.654 5.760 -11.068 80 HB2 ARG 9 HB2 ARG 9 43.389 7.454 -13.134 81 HB3 ARG 9 HB1 ARG 9 43.650 5.998 -14.146 82 HG2 ARG 9 HG2 ARG 9 41.713 5.050 -12.458 83 HG3 ARG 9 HG1 ARG 9 41.316 6.803 -12.417 84 HD2 ARG 9 HD2 ARG 9 41.611 5.115 -14.986 85 HD3 ARG 9 HD1 ARG 9 40.032 5.501 -14.174 86 HE ARG 9 HE ARG 9 41.307 8.006 -14.594 87 HH11 ARG 9 HH11 ARG 9 40.164 5.303 -16.700 88 HH12 ARG 9 HH12 ARG 9 39.843 6.329 -18.057 89 HH21 ARG 9 HH21 ARG 9 40.860 9.334 -16.464 90 HH22 ARG 9 HH22 ARG 9 40.243 8.633 -17.921 91 H ASP 10 HN ASP 10 46.272 4.857 -13.335 92 HA ASP 10 HA ASP 10 45.074 2.202 -13.475 93 HB2 ASP 10 HB2 ASP 10 47.677 3.312 -14.721 94 HB3 ASP 10 HB1 ASP 10 47.080 1.629 -14.972 95 H PHE 11 HN PHE 11 47.573 3.933 -11.640 96 HA PHE 11 HA PHE 11 48.740 1.478 -10.832 97 HB2 PHE 11 HB2 PHE 11 50.629 2.690 -10.604 98 HB3 PHE 11 HB1 PHE 11 49.677 4.163 -10.960 99 HD1 PHE 11 HD1 PHE 11 50.745 1.965 -8.001 100 HD2 PHE 11 HD2 PHE 11 49.280 5.661 -9.465 101 HE1 PHE 11 HE1 PHE 11 50.737 2.904 -5.740 102 HE2 PHE 11 HE2 PHE 11 49.302 6.562 -7.277 103 HZ PHE 11 HZ PHE 11 49.963 5.233 -5.377 104 H ILE 12 HN ILE 12 46.651 3.825 -9.185 105 HA ILE 12 HA ILE 12 46.858 2.533 -6.695 106 HB ILE 12 HB ILE 12 44.843 4.337 -8.017 107 HG12 ILE 12 HG12 ILE 12 46.906 4.807 -5.811 108 HG13 ILE 12 HG11 ILE 12 47.117 5.065 -7.576 109 HG21 ILE 12 HG21 ILE 12 44.781 3.232 -5.078 110 HG22 ILE 12 HG22 ILE 12 43.454 3.132 -6.295 111 HG23 ILE 12 HG23 ILE 12 43.886 4.716 -5.575 112 HD11 ILE 12 HD11 ILE 12 46.659 7.156 -6.462 113 HD12 ILE 12 HD12 ILE 12 45.093 6.529 -5.823 114 HD13 ILE 12 HD13 ILE 12 45.316 6.734 -7.612 115 H LEU 13 HN LEU 13 44.791 2.101 -9.543 116 HA LEU 13 HA LEU 13 42.806 0.586 -8.164 117 HB2 LEU 13 HB2 LEU 13 43.522 1.243 -11.011 118 HB3 LEU 13 HB1 LEU 13 42.186 0.086 -10.683 119 HG LEU 13 HG LEU 13 41.531 2.480 -11.134 120 HD11 LEU 13 HD11 LEU 13 40.530 1.566 -8.371 121 HD12 LEU 13 HD12 LEU 13 40.014 0.825 -9.935 122 HD13 LEU 13 HD13 LEU 13 39.651 2.557 -9.595 123 HD21 LEU 13 HD21 LEU 13 43.405 3.632 -9.748 124 HD22 LEU 13 HD22 LEU 13 42.385 3.313 -8.288 125 HD23 LEU 13 HD23 LEU 13 41.746 4.334 -9.627 126 H GLN 14 HN GLN 14 45.644 -0.324 -10.196 127 HA GLN 14 HA GLN 14 44.989 -3.076 -10.346 128 HB2 GLN 14 HB2 GLN 14 47.667 -1.612 -10.668 129 HB3 GLN 14 HB1 GLN 14 47.503 -3.397 -10.897 130 HG2 GLN 14 HG2 GLN 14 45.883 -3.063 -12.757 131 HG3 GLN 14 HG1 GLN 14 45.887 -1.279 -12.476 132 HE21 GLN 14 HE21 GLN 14 46.655 -0.983 -14.765 133 HE22 GLN 14 HE22 GLN 14 48.318 -1.247 -15.160 134 H ARG 15 HN ARG 15 46.928 -1.212 -7.907 135 HA ARG 15 HA ARG 15 47.936 -3.519 -6.589 136 HB2 ARG 15 HB2 ARG 15 47.613 -0.635 -5.651 137 HB3 ARG 15 HB1 ARG 15 48.384 -1.924 -4.650 138 HG2 ARG 15 HG2 ARG 15 50.040 -2.303 -6.585 139 HG3 ARG 15 HG1 ARG 15 49.341 -0.843 -7.375 140 HD2 ARG 15 HD2 ARG 15 49.927 0.507 -5.291 141 HD3 ARG 15 HD1 ARG 15 50.728 -0.984 -4.625 142 HE ARG 15 HE ARG 15 51.793 -0.463 -7.260 143 HH11 ARG 15 HH11 ARG 15 51.868 0.940 -3.935 144 HH12 ARG 15 HH12 ARG 15 53.402 1.714 -4.155 145 HH21 ARG 15 HH21 ARG 15 53.853 0.618 -7.506 146 HH22 ARG 15 HH22 ARG 15 54.535 1.529 -6.201 147 H LYS 16 HN LYS 16 45.097 -1.450 -6.164 148 HA LYS 16 HA LYS 16 43.139 -1.652 -5.308 149 HB2 LYS 16 HB2 LYS 16 43.905 -4.445 -4.380 150 HB3 LYS 16 HB1 LYS 16 42.292 -3.699 -4.117 151 HG2 LYS 16 HG2 LYS 16 42.079 -3.416 -6.643 152 HG3 LYS 16 HG1 LYS 16 43.626 -4.322 -6.827 153 HD2 LYS 16 HD2 LYS 16 42.604 -6.278 -5.640 154 HD3 LYS 16 HD1 LYS 16 41.072 -5.352 -5.475 155 HE2 LYS 16 HE2 LYS 16 40.830 -5.281 -7.987 156 HE3 LYS 16 HE1 LYS 16 42.381 -6.204 -8.160 157 HZ1 LYS 16 HZ1 LYS 16 40.179 -7.276 -6.509 158 HZ2 LYS 16 HZ2 LYS 16 41.426 -8.088 -7.326 159 HZ3 LYS 16 HZ3 LYS 16 40.134 -7.418 -8.200 160 H LYS 17 HN LYS 17 45.939 -1.057 -3.999 161 HA LYS 17 HA LYS 17 44.891 -0.707 -1.314 162 HB2 LYS 17 HB2 LYS 17 47.768 -1.090 -2.344 163 HB3 LYS 17 HB1 LYS 17 47.376 -0.639 -0.642 164 HG2 LYS 17 HG2 LYS 17 46.214 -2.767 -0.265 165 HG3 LYS 17 HG1 LYS 17 46.343 -3.221 -1.999 166 HD2 LYS 17 HD2 LYS 17 48.820 -3.271 -1.816 167 HD3 LYS 17 HD1 LYS 17 48.721 -2.817 -0.075 168 HE2 LYS 17 HE2 LYS 17 47.479 -4.965 0.419 169 HE3 LYS 17 HE1 LYS 17 47.564 -5.415 -1.335 170 HZ1 LYS 17 HZ1 LYS 17 50.103 -4.722 -0.130 171 HZ2 LYS 17 HZ2 LYS 17 49.666 -6.027 -1.125 172 HZ3 LYS 17 HZ3 LYS 17 49.352 -6.090 0.543 Start of MODEL 10 1 H1 GLU 1 HT1 GLU 1 52.301 22.296 -18.680 2 H2 GLU 1 HT2 GLU 1 51.702 23.596 -17.765 3 H3 GLU 1 HT3 GLU 1 51.282 23.447 -19.404 4 HA GLU 1 HA GLU 1 50.162 22.213 -17.081 5 HB2 GLU 1 HB2 GLU 1 49.268 22.770 -19.986 6 HB3 GLU 1 HB1 GLU 1 48.234 21.793 -18.877 7 HG2 GLU 1 HG2 GLU 1 48.125 23.727 -17.248 8 HG3 GLU 1 HG1 GLU 1 49.152 24.719 -18.357 9 H MET 2 HN MET 2 50.444 20.114 -16.466 10 HA MET 2 HA MET 2 50.729 18.080 -18.585 11 HB2 MET 2 HB2 MET 2 52.276 18.221 -15.903 12 HB3 MET 2 HB1 MET 2 52.247 16.778 -16.981 13 HG2 MET 2 HG2 MET 2 53.323 18.113 -18.802 14 HG3 MET 2 HG1 MET 2 53.353 19.556 -17.735 15 HE1 MET 2 HE1 MET 2 57.114 18.560 -18.078 16 HE2 MET 2 HE2 MET 2 55.865 19.840 -18.263 17 HE3 MET 2 HE3 MET 2 55.813 18.375 -19.304 18 H ARG 3 HN ARG 3 49.880 15.951 -17.960 19 HA ARG 3 HA ARG 3 47.844 16.153 -15.822 20 HB2 ARG 3 HB2 ARG 3 47.873 14.390 -18.367 21 HB3 ARG 3 HB1 ARG 3 46.614 14.324 -17.078 22 HG2 ARG 3 HG2 ARG 3 46.004 16.721 -17.571 23 HG3 ARG 3 HG1 ARG 3 47.235 16.755 -18.884 24 HD2 ARG 3 HD2 ARG 3 45.980 14.885 -20.081 25 HD3 ARG 3 HD1 ARG 3 44.711 14.944 -18.775 26 HE ARG 3 HE ARG 3 45.093 17.614 -19.821 27 HH11 ARG 3 HH11 ARG 3 43.736 14.424 -20.826 28 HH12 ARG 3 HH12 ARG 3 42.619 15.110 -21.958 29 HH21 ARG 3 HH21 ARG 3 43.567 18.484 -21.367 30 HH22 ARG 3 HH22 ARG 3 42.525 17.436 -22.267 31 H LEU 4 HN LEU 4 47.697 14.416 -14.316 32 HA LEU 4 HA LEU 4 49.467 12.157 -14.631 33 HB2 LEU 4 HB2 LEU 4 50.597 14.341 -13.315 34 HB3 LEU 4 HB1 LEU 4 49.759 13.559 -11.942 35 HG LEU 4 HG LEU 4 50.995 11.349 -12.727 36 HD11 LEU 4 HD11 LEU 4 51.879 12.074 -14.915 37 HD12 LEU 4 HD12 LEU 4 53.256 11.729 -13.808 38 HD13 LEU 4 HD13 LEU 4 52.778 13.436 -14.147 39 HD21 LEU 4 HD21 LEU 4 52.982 11.866 -11.316 40 HD22 LEU 4 HD22 LEU 4 51.473 12.524 -10.583 41 HD23 LEU 4 HD23 LEU 4 52.620 13.632 -11.428 42 H SER 5 HN SER 5 46.472 13.103 -14.355 43 HA SER 5 HA SER 5 45.715 11.854 -11.848 44 HB2 SER 5 HB2 SER 5 44.008 13.031 -14.142 45 HB3 SER 5 HB1 SER 5 43.328 12.373 -12.596 46 HG SER 5 HG SER 5 45.372 14.278 -12.484 47 H LYS 6 HN LYS 6 46.080 10.912 -15.251 48 HA LYS 6 HA LYS 6 44.336 8.579 -14.986 49 HB2 LYS 6 HB2 LYS 6 46.189 9.523 -17.269 50 HB3 LYS 6 HB1 LYS 6 45.098 8.087 -17.353 51 HG2 LYS 6 HG2 LYS 6 43.106 9.586 -16.984 52 HG3 LYS 6 HG1 LYS 6 44.195 11.018 -16.926 53 HD2 LYS 6 HD2 LYS 6 44.938 10.538 -19.278 54 HD3 LYS 6 HD1 LYS 6 43.835 9.117 -19.329 55 HE2 LYS 6 HE2 LYS 6 41.844 10.643 -19.022 56 HE3 LYS 6 HE1 LYS 6 42.954 12.074 -18.955 57 HZ1 LYS 6 HZ1 LYS 6 42.361 10.277 -21.233 58 HZ2 LYS 6 HZ2 LYS 6 43.745 11.262 -21.207 59 HZ3 LYS 6 HZ3 LYS 6 42.201 11.963 -21.117 60 H PHE 7 HN PHE 7 47.626 9.500 -14.349 61 HA PHE 7 HA PHE 7 48.936 6.983 -14.735 62 HB2 PHE 7 HB2 PHE 7 49.554 9.655 -13.363 63 HB3 PHE 7 HB1 PHE 7 50.613 8.239 -13.004 64 HD1 PHE 7 HD1 PHE 7 49.266 10.263 -15.946 65 HD2 PHE 7 HD2 PHE 7 52.459 7.863 -14.402 66 HE1 PHE 7 HE1 PHE 7 50.628 10.794 -17.892 67 HE2 PHE 7 HE2 PHE 7 53.790 8.417 -16.368 68 HZ PHE 7 HZ PHE 7 52.884 9.877 -18.111 69 H PHE 8 HN PHE 8 47.175 8.720 -12.297 70 HA PHE 8 HA PHE 8 48.036 7.033 -10.132 71 HB2 PHE 8 HB2 PHE 8 47.098 9.765 -10.653 72 HB3 PHE 8 HB1 PHE 8 46.073 8.984 -9.395 73 HD1 PHE 8 HD1 PHE 8 49.713 8.601 -10.206 74 HD2 PHE 8 HD2 PHE 8 46.827 9.895 -7.312 75 HE1 PHE 8 HE1 PHE 8 51.501 9.251 -8.722 76 HE2 PHE 8 HE2 PHE 8 48.663 10.491 -5.787 77 HZ PHE 8 HZ PHE 8 51.001 10.177 -6.483 78 H ARG 9 HN ARG 9 45.598 7.243 -12.459 79 HA ARG 9 HA ARG 9 43.652 5.893 -10.835 80 HB2 ARG 9 HB2 ARG 9 43.099 7.605 -12.631 81 HB3 ARG 9 HB1 ARG 9 43.852 6.535 -13.854 82 HG2 ARG 9 HG2 ARG 9 42.136 4.865 -13.560 83 HG3 ARG 9 HG1 ARG 9 41.441 5.725 -12.139 84 HD2 ARG 9 HD2 ARG 9 40.814 7.657 -13.586 85 HD3 ARG 9 HD1 ARG 9 41.556 6.827 -15.028 86 HE ARG 9 HE ARG 9 39.660 5.002 -13.905 87 HH11 ARG 9 HH11 ARG 9 39.631 8.256 -15.467 88 HH12 ARG 9 HH12 ARG 9 38.026 8.084 -16.094 89 HH21 ARG 9 HH21 ARG 9 37.500 4.823 -14.772 90 HH22 ARG 9 HH22 ARG 9 36.805 6.113 -15.693 91 H ASP 10 HN ASP 10 46.358 5.208 -13.071 92 HA ASP 10 HA ASP 10 45.443 2.444 -13.245 93 HB2 ASP 10 HB2 ASP 10 48.038 3.774 -14.270 94 HB3 ASP 10 HB1 ASP 10 47.584 2.059 -14.590 95 H PHE 11 HN PHE 11 47.724 4.375 -11.309 96 HA PHE 11 HA PHE 11 49.005 2.035 -10.358 97 HB2 PHE 11 HB2 PHE 11 50.786 3.385 -10.120 98 HB3 PHE 11 HB1 PHE 11 49.743 4.779 -10.539 99 HD1 PHE 11 HD1 PHE 11 50.843 2.710 -7.495 100 HD2 PHE 11 HD2 PHE 11 49.221 6.282 -9.097 101 HE1 PHE 11 HE1 PHE 11 50.703 3.701 -5.262 102 HE2 PHE 11 HE2 PHE 11 49.116 7.232 -6.930 103 HZ PHE 11 HZ PHE 11 49.788 5.984 -4.981 104 H ILE 12 HN ILE 12 46.693 4.290 -8.870 105 HA ILE 12 HA ILE 12 46.876 3.101 -6.331 106 HB ILE 12 HB ILE 12 44.823 4.751 -7.785 107 HG12 ILE 12 HG12 ILE 12 46.760 5.345 -5.490 108 HG13 ILE 12 HG11 ILE 12 47.040 5.592 -7.245 109 HG21 ILE 12 HG21 ILE 12 44.640 3.659 -4.851 110 HG22 ILE 12 HG22 ILE 12 43.382 3.549 -6.140 111 HG23 ILE 12 HG23 ILE 12 43.745 5.132 -5.381 112 HD11 ILE 12 HD11 ILE 12 44.873 6.995 -5.617 113 HD12 ILE 12 HD12 ILE 12 45.207 7.205 -7.384 114 HD13 ILE 12 HD13 ILE 12 46.459 7.671 -6.144 115 H LEU 13 HN LEU 13 45.012 2.386 -9.244 116 HA LEU 13 HA LEU 13 43.042 0.809 -7.922 117 HB2 LEU 13 HB2 LEU 13 43.971 1.321 -10.737 118 HB3 LEU 13 HB1 LEU 13 42.698 0.083 -10.443 119 HG LEU 13 HG LEU 13 41.980 2.442 -11.104 120 HD11 LEU 13 HD11 LEU 13 39.915 2.466 -9.706 121 HD12 LEU 13 HD12 LEU 13 40.681 1.278 -8.590 122 HD13 LEU 13 HD13 LEU 13 40.345 0.818 -10.297 123 HD21 LEU 13 HD21 LEU 13 41.798 4.319 -9.595 124 HD22 LEU 13 HD22 LEU 13 43.517 3.780 -9.505 125 HD23 LEU 13 HD23 LEU 13 42.360 3.359 -8.176 126 H GLN 14 HN GLN 14 46.243 0.040 -9.273 127 HA GLN 14 HA GLN 14 45.789 -2.822 -9.260 128 HB2 GLN 14 HB2 GLN 14 48.350 -1.139 -9.554 129 HB3 GLN 14 HB1 GLN 14 48.349 -2.945 -9.597 130 HG2 GLN 14 HG2 GLN 14 46.813 -2.907 -11.594 131 HG3 GLN 14 HG1 GLN 14 46.814 -1.104 -11.569 132 HE21 GLN 14 HE21 GLN 14 48.955 0.037 -11.987 133 HE22 GLN 14 HE22 GLN 14 50.192 -0.774 -12.886 134 H ARG 15 HN ARG 15 46.453 -0.517 -6.711 135 HA ARG 15 HA ARG 15 47.826 -2.555 -5.086 136 HB2 ARG 15 HB2 ARG 15 47.523 0.464 -4.665 137 HB3 ARG 15 HB1 ARG 15 48.327 -0.665 -3.504 138 HG2 ARG 15 HG2 ARG 15 49.895 -1.356 -5.441 139 HG3 ARG 15 HG1 ARG 15 49.201 0.015 -6.378 140 HD2 ARG 15 HD2 ARG 15 49.906 1.595 -4.519 141 HD3 ARG 15 HD1 ARG 15 50.683 0.176 -3.682 142 HE ARG 15 HE ARG 15 51.653 0.319 -6.409 143 HH11 ARG 15 HH11 ARG 15 51.942 2.080 -3.274 144 HH12 ARG 15 HH12 ARG 15 53.514 2.715 -3.627 145 HH21 ARG 15 HH21 ARG 15 53.769 1.213 -6.839 146 HH22 ARG 15 HH22 ARG 15 54.558 2.218 -5.671 147 H LYS 16 HN LYS 16 44.833 -2.521 -5.813 148 HA LYS 16 HA LYS 16 43.662 -2.052 -3.155 149 HB2 LYS 16 HB2 LYS 16 42.360 -2.567 -5.878 150 HB3 LYS 16 HB1 LYS 16 41.451 -2.451 -4.321 151 HG2 LYS 16 HG2 LYS 16 42.533 -0.116 -4.007 152 HG3 LYS 16 HG1 LYS 16 43.115 -0.262 -5.703 153 HD2 LYS 16 HD2 LYS 16 40.779 -0.526 -6.501 154 HD3 LYS 16 HD1 LYS 16 40.193 -0.451 -4.802 155 HE2 LYS 16 HE2 LYS 16 41.059 1.919 -4.607 156 HE3 LYS 16 HE1 LYS 16 41.635 1.842 -6.323 157 HZ1 LYS 16 HZ1 LYS 16 39.634 2.394 -6.967 158 HZ2 LYS 16 HZ2 LYS 16 39.107 2.502 -5.357 159 HZ3 LYS 16 HZ3 LYS 16 38.942 1.042 -6.208 160 H LYS 17 HN LYS 17 45.291 -4.419 -4.855 161 HA LYS 17 HA LYS 17 45.629 -6.534 -4.664 162 HB2 LYS 17 HB2 LYS 17 43.706 -6.760 -2.254 163 HB3 LYS 17 HB1 LYS 17 44.971 -7.941 -2.727 164 HG2 LYS 17 HG2 LYS 17 45.529 -5.050 -1.779 165 HG3 LYS 17 HG1 LYS 17 45.536 -6.494 -0.721 166 HD2 LYS 17 HD2 LYS 17 47.425 -7.469 -2.127 167 HD3 LYS 17 HD1 LYS 17 47.449 -5.956 -3.099 168 HE2 LYS 17 HE2 LYS 17 48.022 -4.624 -1.035 169 HE3 LYS 17 HE1 LYS 17 47.998 -6.145 -0.051 170 HZ1 LYS 17 HZ1 LYS 17 49.702 -5.960 -2.451 171 HZ2 LYS 17 HZ2 LYS 17 49.891 -6.893 -1.045 172 HZ3 LYS 17 HZ3 LYS 17 50.190 -5.222 -1.002 Start of MODEL 11 1 H1 GLU 1 HT1 GLU 1 48.882 19.982 -18.729 2 H2 GLU 1 HT2 GLU 1 48.801 21.666 -18.931 3 H3 GLU 1 HT3 GLU 1 47.386 20.731 -19.022 4 HA GLU 1 HA GLU 1 49.084 21.124 -16.648 5 HB2 GLU 1 HB2 GLU 1 47.519 23.073 -17.501 6 HB3 GLU 1 HB1 GLU 1 46.140 22.011 -17.050 7 HG2 GLU 1 HG2 GLU 1 46.990 21.977 -14.637 8 HG3 GLU 1 HG1 GLU 1 48.327 23.096 -15.116 9 H MET 2 HN MET 2 49.114 19.343 -15.307 10 HA MET 2 HA MET 2 48.541 17.547 -14.193 11 HB2 MET 2 HB2 MET 2 45.578 18.284 -14.718 12 HB3 MET 2 HB1 MET 2 46.124 16.996 -13.589 13 HG2 MET 2 HG2 MET 2 47.302 18.674 -12.187 14 HG3 MET 2 HG1 MET 2 46.889 19.975 -13.342 15 HE1 MET 2 HE1 MET 2 44.754 16.919 -11.644 16 HE2 MET 2 HE2 MET 2 44.145 17.862 -10.239 17 HE3 MET 2 HE3 MET 2 45.914 17.669 -10.492 18 H ARG 3 HN ARG 3 49.681 16.553 -16.109 19 HA ARG 3 HA ARG 3 47.885 14.877 -17.758 20 HB2 ARG 3 HB2 ARG 3 50.823 15.749 -18.150 21 HB3 ARG 3 HB1 ARG 3 49.981 14.571 -19.224 22 HG2 ARG 3 HG2 ARG 3 48.319 16.332 -19.865 23 HG3 ARG 3 HG1 ARG 3 49.141 17.513 -18.784 24 HD2 ARG 3 HD2 ARG 3 51.260 17.308 -20.163 25 HD3 ARG 3 HD1 ARG 3 50.407 16.141 -21.273 26 HE ARG 3 HE ARG 3 48.761 18.468 -21.134 27 HH11 ARG 3 HH11 ARG 3 52.108 17.656 -22.230 28 HH12 ARG 3 HH12 ARG 3 52.139 18.879 -23.456 29 HH21 ARG 3 HH21 ARG 3 48.868 20.098 -22.808 30 HH22 ARG 3 HH22 ARG 3 50.287 20.276 -23.786 31 H LEU 4 HN LEU 4 49.532 14.716 -14.844 32 HA LEU 4 HA LEU 4 50.574 12.000 -15.337 33 HB2 LEU 4 HB2 LEU 4 51.236 14.121 -13.204 34 HB3 LEU 4 HB1 LEU 4 51.807 12.419 -13.071 35 HG LEU 4 HG LEU 4 52.458 14.200 -15.510 36 HD11 LEU 4 HD11 LEU 4 54.187 13.812 -12.975 37 HD12 LEU 4 HD12 LEU 4 53.353 15.332 -13.486 38 HD13 LEU 4 HD13 LEU 4 54.691 14.658 -14.491 39 HD21 LEU 4 HD21 LEU 4 52.825 11.868 -16.074 40 HD22 LEU 4 HD22 LEU 4 53.605 11.511 -14.489 41 HD23 LEU 4 HD23 LEU 4 54.455 12.540 -15.708 42 H SER 5 HN SER 5 47.674 13.158 -14.704 43 HA SER 5 HA SER 5 47.140 11.863 -12.166 44 HB2 SER 5 HB2 SER 5 45.230 13.167 -14.230 45 HB3 SER 5 HB1 SER 5 44.719 12.517 -12.615 46 HG SER 5 HG SER 5 46.753 14.454 -12.963 47 H LYS 6 HN LYS 6 47.350 10.934 -15.526 48 HA LYS 6 HA LYS 6 45.392 8.797 -15.371 49 HB2 LYS 6 HB2 LYS 6 47.519 9.496 -17.492 50 HB3 LYS 6 HB1 LYS 6 46.262 8.213 -17.673 51 HG2 LYS 6 HG2 LYS 6 44.458 9.954 -17.471 52 HG3 LYS 6 HG1 LYS 6 45.711 11.232 -17.298 53 HD2 LYS 6 HD2 LYS 6 46.603 10.652 -19.583 54 HD3 LYS 6 HD1 LYS 6 45.331 9.394 -19.744 55 HE2 LYS 6 HE2 LYS 6 44.610 11.409 -20.977 56 HE3 LYS 6 HE1 LYS 6 43.551 11.238 -19.520 57 HZ1 LYS 6 HZ1 LYS 6 44.228 13.483 -19.779 58 HZ2 LYS 6 HZ2 LYS 6 45.874 13.074 -19.860 59 HZ3 LYS 6 HZ3 LYS 6 45.016 12.856 -18.411 60 H PHE 7 HN PHE 7 48.769 9.332 -14.596 61 HA PHE 7 HA PHE 7 49.710 6.641 -14.894 62 HB2 PHE 7 HB2 PHE 7 50.734 9.240 -13.615 63 HB3 PHE 7 HB1 PHE 7 51.567 7.685 -13.209 64 HD1 PHE 7 HD1 PHE 7 50.553 9.850 -16.166 65 HD2 PHE 7 HD2 PHE 7 53.235 6.869 -14.668 66 HE1 PHE 7 HE1 PHE 7 51.902 10.021 -18.193 67 HE2 PHE 7 HE2 PHE 7 54.562 7.073 -16.706 68 HZ PHE 7 HZ PHE 7 53.903 8.642 -18.465 69 H PHE 8 HN PHE 8 48.183 8.668 -12.546 70 HA PHE 8 HA PHE 8 48.766 6.928 -10.334 71 HB2 PHE 8 HB2 PHE 8 48.205 9.748 -10.924 72 HB3 PHE 8 HB1 PHE 8 47.048 9.126 -9.681 73 HD1 PHE 8 HD1 PHE 8 50.631 8.310 -10.429 74 HD2 PHE 8 HD2 PHE 8 47.855 9.876 -7.563 75 HE1 PHE 8 HE1 PHE 8 52.456 8.744 -8.915 76 HE2 PHE 8 HE2 PHE 8 49.722 10.253 -6.001 77 HZ PHE 8 HZ PHE 8 52.024 9.695 -6.670 78 H ARG 9 HN ARG 9 46.439 7.392 -12.746 79 HA ARG 9 HA ARG 9 44.298 6.341 -11.155 80 HB2 ARG 9 HB2 ARG 9 44.326 7.942 -13.399 81 HB3 ARG 9 HB1 ARG 9 44.384 6.367 -14.240 82 HG2 ARG 9 HG2 ARG 9 42.126 6.685 -14.198 83 HG3 ARG 9 HG1 ARG 9 42.317 5.793 -12.649 84 HD2 ARG 9 HD2 ARG 9 42.408 8.095 -11.440 85 HD3 ARG 9 HD1 ARG 9 42.006 8.860 -13.033 86 HE ARG 9 HE ARG 9 39.800 7.898 -12.952 87 HH11 ARG 9 HH11 ARG 9 41.672 7.053 -9.961 88 HH12 ARG 9 HH12 ARG 9 40.299 6.371 -9.153 89 HH21 ARG 9 HH21 ARG 9 38.008 6.963 -11.795 90 HH22 ARG 9 HH22 ARG 9 38.215 6.323 -10.199 91 H ASP 10 HN ASP 10 46.963 5.264 -13.212 92 HA ASP 10 HA ASP 10 45.670 2.662 -13.425 93 HB2 ASP 10 HB2 ASP 10 48.445 3.626 -14.408 94 HB3 ASP 10 HB1 ASP 10 47.784 1.973 -14.713 95 H PHE 11 HN PHE 11 48.282 4.271 -11.594 96 HA PHE 11 HA PHE 11 49.257 1.830 -10.593 97 HB2 PHE 11 HB2 PHE 11 51.175 2.974 -10.377 98 HB3 PHE 11 HB1 PHE 11 50.287 4.471 -10.799 99 HD1 PHE 11 HD1 PHE 11 51.232 2.323 -7.774 100 HD2 PHE 11 HD2 PHE 11 49.895 6.020 -9.356 101 HE1 PHE 11 HE1 PHE 11 51.216 3.329 -5.544 102 HE2 PHE 11 HE2 PHE 11 49.908 6.974 -7.186 103 HZ PHE 11 HZ PHE 11 50.512 5.676 -5.247 104 H ILE 12 HN ILE 12 47.192 4.297 -9.107 105 HA ILE 12 HA ILE 12 47.244 3.060 -6.579 106 HB ILE 12 HB ILE 12 45.391 4.967 -7.989 107 HG12 ILE 12 HG12 ILE 12 47.467 5.298 -5.770 108 HG13 ILE 12 HG11 ILE 12 47.667 5.574 -7.533 109 HG21 ILE 12 HG21 ILE 12 45.164 3.927 -5.036 110 HG22 ILE 12 HG22 ILE 12 43.871 3.895 -6.294 111 HG23 ILE 12 HG23 ILE 12 44.390 5.460 -5.588 112 HD11 ILE 12 HD11 ILE 12 47.385 7.663 -6.322 113 HD12 ILE 12 HD12 ILE 12 45.750 7.143 -5.752 114 HD13 ILE 12 HD13 ILE 12 46.053 7.385 -7.526 115 H LEU 13 HN LEU 13 45.357 2.608 -9.539 116 HA LEU 13 HA LEU 13 43.254 1.193 -8.223 117 HB2 LEU 13 HB2 LEU 13 44.100 1.779 -11.035 118 HB3 LEU 13 HB1 LEU 13 42.700 0.686 -10.736 119 HG LEU 13 HG LEU 13 42.163 3.090 -11.215 120 HD11 LEU 13 HD11 LEU 13 41.062 2.217 -8.479 121 HD12 LEU 13 HD12 LEU 13 40.503 1.582 -10.076 122 HD13 LEU 13 HD13 LEU 13 40.274 3.324 -9.668 123 HD21 LEU 13 HD21 LEU 13 42.976 3.950 -8.373 124 HD22 LEU 13 HD22 LEU 13 42.446 4.961 -9.760 125 HD23 LEU 13 HD23 LEU 13 44.060 4.175 -9.803 126 H GLN 14 HN GLN 14 46.370 0.215 -9.378 127 HA GLN 14 HA GLN 14 45.668 -2.610 -9.616 128 HB2 GLN 14 HB2 GLN 14 48.367 -1.117 -9.684 129 HB3 GLN 14 HB1 GLN 14 48.248 -2.917 -9.779 130 HG2 GLN 14 HG2 GLN 14 46.977 -2.800 -11.888 131 HG3 GLN 14 HG1 GLN 14 46.867 -1.007 -11.797 132 HE21 GLN 14 HE21 GLN 14 48.884 0.290 -12.176 133 HE22 GLN 14 HE22 GLN 14 50.269 -0.421 -12.927 134 H ARG 15 HN ARG 15 46.164 -0.466 -7.004 135 HA ARG 15 HA ARG 15 47.209 -2.572 -5.231 136 HB2 ARG 15 HB2 ARG 15 47.305 0.488 -4.976 137 HB3 ARG 15 HB1 ARG 15 47.816 -0.661 -3.676 138 HG2 ARG 15 HG2 ARG 15 49.450 -1.704 -5.311 139 HG3 ARG 15 HG1 ARG 15 49.035 -0.411 -6.497 140 HD2 ARG 15 HD2 ARG 15 49.783 1.330 -4.819 141 HD3 ARG 15 HD1 ARG 15 50.268 -0.021 -3.697 142 HE ARG 15 HE ARG 15 51.484 -0.428 -6.305 143 HH11 ARG 15 HH11 ARG 15 51.800 1.668 -3.375 144 HH12 ARG 15 HH12 ARG 15 53.472 2.019 -3.659 145 HH21 ARG 15 HH21 ARG 15 53.726 0.093 -6.634 146 HH22 ARG 15 HH22 ARG 15 54.575 1.117 -5.527 147 H LYS 16 HN LYS 16 44.371 -2.324 -6.240 148 HA LYS 16 HA LYS 16 42.981 -1.432 -3.804 149 HB2 LYS 16 HB2 LYS 16 42.052 -1.923 -6.702 150 HB3 LYS 16 HB1 LYS 16 40.877 -1.784 -5.349 151 HG2 LYS 16 HG2 LYS 16 42.940 0.433 -5.861 152 HG3 LYS 16 HG1 LYS 16 41.444 0.327 -6.839 153 HD2 LYS 16 HD2 LYS 16 40.058 0.465 -4.750 154 HD3 LYS 16 HD1 LYS 16 41.553 0.562 -3.754 155 HE2 LYS 16 HE2 LYS 16 42.173 2.733 -4.848 156 HE3 LYS 16 HE1 LYS 16 40.709 2.631 -5.913 157 HZ1 LYS 16 HZ1 LYS 16 39.809 3.811 -4.287 158 HZ2 LYS 16 HZ2 LYS 16 40.955 3.357 -3.122 159 HZ3 LYS 16 HZ3 LYS 16 39.650 2.330 -3.473 160 H LYS 17 HN LYS 17 44.292 -3.467 -3.067 161 HA LYS 17 HA LYS 17 43.233 -5.977 -3.860 162 HB2 LYS 17 HB2 LYS 17 44.888 -5.108 -1.406 163 HB3 LYS 17 HB1 LYS 17 44.537 -6.827 -1.832 164 HG2 LYS 17 HG2 LYS 17 45.735 -6.559 -4.003 165 HG3 LYS 17 HG1 LYS 17 46.062 -4.827 -3.634 166 HD2 LYS 17 HD2 LYS 17 47.375 -5.491 -1.625 167 HD3 LYS 17 HD1 LYS 17 47.054 -7.230 -1.968 168 HE2 LYS 17 HE2 LYS 17 48.302 -7.017 -4.164 169 HE3 LYS 17 HE1 LYS 17 48.626 -5.271 -3.800 170 HZ1 LYS 17 HZ1 LYS 17 49.378 -7.306 -1.814 171 HZ2 LYS 17 HZ2 LYS 17 50.092 -5.807 -2.182 172 HZ3 LYS 17 HZ3 LYS 17 50.320 -7.133 -3.216 Start of MODEL 12 1 H1 GLU 1 HT1 GLU 1 51.908 19.731 -20.440 2 H2 GLU 1 HT2 GLU 1 50.973 20.623 -21.542 3 H3 GLU 1 HT3 GLU 1 51.490 19.056 -21.942 4 HA GLU 1 HA GLU 1 49.105 19.743 -20.884 5 HB2 GLU 1 HB2 GLU 1 50.630 17.050 -20.945 6 HB3 GLU 1 HB1 GLU 1 48.909 17.151 -20.409 7 HG2 GLU 1 HG2 GLU 1 48.233 18.081 -22.651 8 HG3 GLU 1 HG1 GLU 1 49.953 18.033 -23.203 9 H MET 2 HN MET 2 51.471 17.672 -19.008 10 HA MET 2 HA MET 2 51.902 17.407 -16.890 11 HB2 MET 2 HB2 MET 2 51.037 20.343 -16.470 12 HB3 MET 2 HB1 MET 2 51.889 19.342 -15.240 13 HG2 MET 2 HG2 MET 2 53.837 19.089 -16.797 14 HG3 MET 2 HG1 MET 2 52.993 20.100 -18.017 15 HE1 MET 2 HE1 MET 2 55.899 20.615 -17.075 16 HE2 MET 2 HE2 MET 2 55.906 22.403 -16.894 17 HE3 MET 2 HE3 MET 2 55.013 21.644 -18.256 18 H ARG 3 HN ARG 3 49.982 15.866 -17.140 19 HA ARG 3 HA ARG 3 47.952 16.550 -15.095 20 HB2 ARG 3 HB2 ARG 3 47.639 14.766 -17.607 21 HB3 ARG 3 HB1 ARG 3 46.419 14.887 -16.284 22 HG2 ARG 3 HG2 ARG 3 46.153 17.347 -16.774 23 HG3 ARG 3 HG1 ARG 3 47.342 17.198 -18.118 24 HD2 ARG 3 HD2 ARG 3 45.803 15.553 -19.291 25 HD3 ARG 3 HD1 ARG 3 44.596 15.750 -17.942 26 HE ARG 3 HE ARG 3 45.286 18.366 -18.967 27 HH11 ARG 3 HH11 ARG 3 43.492 15.396 -19.958 28 HH12 ARG 3 HH12 ARG 3 42.431 16.240 -21.035 29 HH21 ARG 3 HH21 ARG 3 43.829 19.453 -20.439 30 HH22 ARG 3 HH22 ARG 3 42.626 18.563 -21.310 31 H LEU 4 HN LEU 4 48.000 15.208 -13.321 32 HA LEU 4 HA LEU 4 49.446 12.657 -13.613 33 HB2 LEU 4 HB2 LEU 4 49.467 14.629 -11.241 34 HB3 LEU 4 HB1 LEU 4 50.123 12.959 -11.139 35 HG LEU 4 HG LEU 4 51.178 15.103 -13.098 36 HD11 LEU 4 HD11 LEU 4 52.341 14.281 -10.350 37 HD12 LEU 4 HD12 LEU 4 51.541 15.851 -10.744 38 HD13 LEU 4 HD13 LEU 4 53.102 15.414 -11.535 39 HD21 LEU 4 HD21 LEU 4 53.281 13.520 -13.063 40 HD22 LEU 4 HD22 LEU 4 51.845 12.960 -13.990 41 HD23 LEU 4 HD23 LEU 4 52.184 12.273 -12.356 42 H SER 5 HN SER 5 46.433 13.607 -13.721 43 HA SER 5 HA SER 5 45.375 12.323 -11.347 44 HB2 SER 5 HB2 SER 5 43.962 13.488 -13.840 45 HB3 SER 5 HB1 SER 5 43.097 12.809 -12.400 46 HG SER 5 HG SER 5 45.067 14.801 -12.114 47 H LYS 6 HN LYS 6 46.128 11.469 -14.718 48 HA LYS 6 HA LYS 6 44.482 9.056 -14.649 49 HB2 LYS 6 HB2 LYS 6 46.439 10.165 -16.762 50 HB3 LYS 6 HB1 LYS 6 45.464 8.658 -16.961 51 HG2 LYS 6 HG2 LYS 6 43.347 10.004 -16.697 52 HG3 LYS 6 HG1 LYS 6 44.325 11.504 -16.537 53 HD2 LYS 6 HD2 LYS 6 45.249 11.143 -18.842 54 HD3 LYS 6 HD1 LYS 6 44.264 9.644 -18.996 55 HE2 LYS 6 HE2 LYS 6 42.146 11.007 -18.783 56 HE3 LYS 6 HE1 LYS 6 43.135 12.515 -18.616 57 HZ1 LYS 6 HZ1 LYS 6 42.354 11.100 -20.944 58 HZ2 LYS 6 HZ2 LYS 6 44.046 11.238 -20.885 59 HZ3 LYS 6 HZ3 LYS 6 43.078 12.629 -20.787 60 H PHE 7 HN PHE 7 47.652 10.096 -13.680 61 HA PHE 7 HA PHE 7 49.124 7.671 -14.045 62 HB2 PHE 7 HB2 PHE 7 49.455 10.299 -12.521 63 HB3 PHE 7 HB1 PHE 7 50.492 8.913 -12.014 64 HD1 PHE 7 HD1 PHE 7 49.528 10.886 -15.140 65 HD2 PHE 7 HD2 PHE 7 52.550 8.646 -13.092 66 HE1 PHE 7 HE1 PHE 7 51.151 11.464 -16.862 67 HE2 PHE 7 HE2 PHE 7 54.142 9.248 -14.835 68 HZ PHE 7 HZ PHE 7 53.453 10.651 -16.717 69 H PHE 8 HN PHE 8 47.024 9.160 -11.716 70 HA PHE 8 HA PHE 8 47.731 7.370 -9.580 71 HB2 PHE 8 HB2 PHE 8 46.709 10.085 -10.036 72 HB3 PHE 8 HB1 PHE 8 45.589 9.173 -8.959 73 HD1 PHE 8 HD1 PHE 8 49.312 9.033 -9.363 74 HD2 PHE 8 HD2 PHE 8 46.047 9.954 -6.741 75 HE1 PHE 8 HE1 PHE 8 50.880 9.660 -7.639 76 HE2 PHE 8 HE2 PHE 8 47.660 10.529 -4.976 77 HZ PHE 8 HZ PHE 8 50.077 10.388 -5.415 78 H ARG 9 HN ARG 9 45.544 7.633 -12.145 79 HA ARG 9 HA ARG 9 43.503 6.087 -10.850 80 HB2 ARG 9 HB2 ARG 9 43.239 7.903 -12.712 81 HB3 ARG 9 HB1 ARG 9 43.961 6.716 -13.842 82 HG2 ARG 9 HG2 ARG 9 42.097 5.131 -13.327 83 HG3 ARG 9 HG1 ARG 9 41.368 6.357 -12.236 84 HD2 ARG 9 HD2 ARG 9 41.900 6.761 -15.246 85 HD3 ARG 9 HD1 ARG 9 40.295 6.310 -14.526 86 HE ARG 9 HE ARG 9 41.083 8.663 -13.164 87 HH11 ARG 9 HH11 ARG 9 40.453 7.784 -16.612 88 HH12 ARG 9 HH12 ARG 9 39.982 9.388 -17.065 89 HH21 ARG 9 HH21 ARG 9 40.452 10.806 -13.843 90 HH22 ARG 9 HH22 ARG 9 39.984 11.115 -15.481 91 H ASP 10 HN ASP 10 46.474 5.647 -12.781 92 HA ASP 10 HA ASP 10 45.715 2.868 -13.215 93 HB2 ASP 10 HB2 ASP 10 48.346 4.363 -13.856 94 HB3 ASP 10 HB1 ASP 10 48.008 2.655 -14.328 95 H PHE 11 HN PHE 11 47.765 4.790 -10.989 96 HA PHE 11 HA PHE 11 49.059 2.478 -10.014 97 HB2 PHE 11 HB2 PHE 11 50.700 3.921 -9.484 98 HB3 PHE 11 HB1 PHE 11 49.609 5.271 -9.927 99 HD1 PHE 11 HD1 PHE 11 50.522 3.066 -6.912 100 HD2 PHE 11 HD2 PHE 11 48.818 6.621 -8.460 101 HE1 PHE 11 HE1 PHE 11 50.055 3.882 -4.652 102 HE2 PHE 11 HE2 PHE 11 48.398 7.403 -6.269 103 HZ PHE 11 HZ PHE 11 48.937 6.071 -4.336 104 H ILE 12 HN ILE 12 46.452 4.467 -8.642 105 HA ILE 12 HA ILE 12 46.431 3.094 -6.195 106 HB ILE 12 HB ILE 12 44.427 4.695 -7.771 107 HG12 ILE 12 HG12 ILE 12 46.035 5.298 -5.239 108 HG13 ILE 12 HG11 ILE 12 46.498 5.666 -6.935 109 HG21 ILE 12 HG21 ILE 12 44.047 3.442 -4.915 110 HG22 ILE 12 HG22 ILE 12 42.955 3.240 -6.336 111 HG23 ILE 12 HG23 ILE 12 43.056 4.827 -5.508 112 HD11 ILE 12 HD11 ILE 12 45.609 7.633 -5.846 113 HD12 ILE 12 HD12 ILE 12 44.047 6.796 -5.505 114 HD13 ILE 12 HD13 ILE 12 44.537 7.120 -7.221 115 H LEU 13 HN LEU 13 44.974 2.509 -9.367 116 HA LEU 13 HA LEU 13 43.064 0.620 -8.384 117 HB2 LEU 13 HB2 LEU 13 44.081 1.579 -11.041 118 HB3 LEU 13 HB1 LEU 13 42.923 0.205 -10.984 119 HG LEU 13 HG LEU 13 41.967 2.498 -11.410 120 HD11 LEU 13 HD11 LEU 13 40.550 0.566 -10.620 121 HD12 LEU 13 HD12 LEU 13 39.879 2.180 -10.182 122 HD13 LEU 13 HD13 LEU 13 40.714 1.183 -8.931 123 HD21 LEU 13 HD21 LEU 13 43.367 3.827 -9.683 124 HD22 LEU 13 HD22 LEU 13 42.211 3.226 -8.426 125 HD23 LEU 13 HD23 LEU 13 41.611 4.233 -9.790 126 H GLN 14 HN GLN 14 46.429 0.368 -9.336 127 HA GLN 14 HA GLN 14 46.315 -2.511 -9.784 128 HB2 GLN 14 HB2 GLN 14 48.619 -0.487 -9.636 129 HB3 GLN 14 HB1 GLN 14 48.940 -2.262 -9.700 130 HG2 GLN 14 HG2 GLN 14 47.744 -2.431 -11.893 131 HG3 GLN 14 HG1 GLN 14 47.363 -0.671 -11.849 132 HE21 GLN 14 HE21 GLN 14 49.266 0.902 -11.910 133 HE22 GLN 14 HE22 GLN 14 50.751 0.405 -12.647 134 H ARG 15 HN ARG 15 46.358 -0.507 -6.938 135 HA ARG 15 HA ARG 15 47.763 -2.568 -5.370 136 HB2 ARG 15 HB2 ARG 15 47.103 0.347 -4.702 137 HB3 ARG 15 HB1 ARG 15 47.851 -0.825 -3.548 138 HG2 ARG 15 HG2 ARG 15 49.724 -1.183 -5.287 139 HG3 ARG 15 HG1 ARG 15 49.029 0.202 -6.202 140 HD2 ARG 15 HD2 ARG 15 49.332 1.667 -4.159 141 HD3 ARG 15 HD1 ARG 15 50.108 0.252 -3.317 142 HE ARG 15 HE ARG 15 51.431 0.690 -5.858 143 HH11 ARG 15 HH11 ARG 15 51.124 2.217 -2.605 144 HH12 ARG 15 HH12 ARG 15 52.673 2.989 -2.679 145 HH21 ARG 15 HH21 ARG 15 53.507 1.762 -5.909 146 HH22 ARG 15 HH22 ARG 15 54.036 2.728 -4.572 147 H LYS 16 HN LYS 16 44.942 -2.829 -6.469 148 HA LYS 16 HA LYS 16 43.290 -2.599 -4.058 149 HB2 LYS 16 HB2 LYS 16 42.607 -3.581 -6.907 150 HB3 LYS 16 HB1 LYS 16 41.423 -3.424 -5.563 151 HG2 LYS 16 HG2 LYS 16 43.061 -0.991 -6.507 152 HG3 LYS 16 HG1 LYS 16 41.630 -1.533 -7.427 153 HD2 LYS 16 HD2 LYS 16 41.453 -0.932 -4.403 154 HD3 LYS 16 HD1 LYS 16 41.377 0.373 -5.633 155 HE2 LYS 16 HE2 LYS 16 39.381 -0.773 -6.712 156 HE3 LYS 16 HE1 LYS 16 39.440 -2.044 -5.423 157 HZ1 LYS 16 HZ1 LYS 16 37.874 -0.107 -5.130 158 HZ2 LYS 16 HZ2 LYS 16 39.238 0.845 -4.789 159 HZ3 LYS 16 HZ3 LYS 16 38.873 -0.496 -3.814 160 H LYS 17 HN LYS 17 45.461 -4.767 -5.593 161 HA LYS 17 HA LYS 17 45.966 -6.870 -5.509 162 HB2 LYS 17 HB2 LYS 17 44.708 -6.588 -2.722 163 HB3 LYS 17 HB1 LYS 17 45.421 -8.148 -3.250 164 HG2 LYS 17 HG2 LYS 17 47.548 -7.442 -2.886 165 HG3 LYS 17 HG1 LYS 17 47.302 -5.922 -3.811 166 HD2 LYS 17 HD2 LYS 17 46.276 -4.842 -1.822 167 HD3 LYS 17 HD1 LYS 17 46.441 -6.367 -0.874 168 HE2 LYS 17 HE2 LYS 17 48.966 -6.216 -1.103 169 HE3 LYS 17 HE1 LYS 17 48.774 -4.664 -2.021 170 HZ1 LYS 17 HZ1 LYS 17 48.121 -5.241 0.814 171 HZ2 LYS 17 HZ2 LYS 17 47.510 -3.880 0.001 172 HZ3 LYS 17 HZ3 LYS 17 49.186 -4.085 0.170 Start of MODEL 13 1 H1 GLU 1 HT1 GLU 1 55.143 19.159 -14.782 2 H2 GLU 1 HT2 GLU 1 53.798 20.156 -14.497 3 H3 GLU 1 HT3 GLU 1 54.001 19.418 -16.013 4 HA GLU 1 HA GLU 1 53.600 17.293 -15.172 5 HB2 GLU 1 HB2 GLU 1 53.717 18.697 -12.418 6 HB3 GLU 1 HB1 GLU 1 52.950 17.078 -12.609 7 HG2 GLU 1 HG2 GLU 1 55.123 16.118 -13.460 8 HG3 GLU 1 HG1 GLU 1 55.909 17.737 -13.295 9 H MET 2 HN MET 2 51.803 17.728 -16.587 10 HA MET 2 HA MET 2 49.336 18.461 -15.151 11 HB2 MET 2 HB2 MET 2 50.155 19.407 -17.988 12 HB3 MET 2 HB1 MET 2 48.501 19.584 -17.298 13 HG2 MET 2 HG2 MET 2 49.410 21.062 -15.494 14 HG3 MET 2 HG1 MET 2 51.062 20.880 -16.170 15 HE1 MET 2 HE1 MET 2 49.761 23.623 -15.507 16 HE2 MET 2 HE2 MET 2 50.259 24.597 -16.933 17 HE3 MET 2 HE3 MET 2 51.398 23.403 -16.219 18 H ARG 3 HN ARG 3 47.432 17.392 -15.955 19 HA ARG 3 HA ARG 3 46.247 15.702 -16.668 20 HB2 ARG 3 HB2 ARG 3 48.130 15.627 -19.114 21 HB3 ARG 3 HB1 ARG 3 46.594 14.696 -18.993 22 HG2 ARG 3 HG2 ARG 3 45.265 16.756 -18.865 23 HG3 ARG 3 HG1 ARG 3 46.737 17.778 -18.786 24 HD2 ARG 3 HD2 ARG 3 46.034 15.974 -21.221 25 HD3 ARG 3 HD1 ARG 3 45.589 17.732 -21.086 26 HE ARG 3 HE ARG 3 48.411 17.507 -20.577 27 HH11 ARG 3 HH11 ARG 3 46.115 16.993 -23.313 28 HH12 ARG 3 HH12 ARG 3 47.278 17.386 -24.533 29 HH21 ARG 3 HH21 ARG 3 49.940 18.028 -22.267 30 HH22 ARG 3 HH22 ARG 3 49.469 17.978 -23.933 31 H LEU 4 HN LEU 4 47.696 14.914 -14.620 32 HA LEU 4 HA LEU 4 48.754 12.273 -15.390 33 HB2 LEU 4 HB2 LEU 4 49.512 14.046 -12.981 34 HB3 LEU 4 HB1 LEU 4 50.082 12.354 -13.204 35 HG LEU 4 HG LEU 4 50.695 14.667 -15.160 36 HD11 LEU 4 HD11 LEU 4 52.522 13.470 -12.971 37 HD12 LEU 4 HD12 LEU 4 51.736 15.095 -12.928 38 HD13 LEU 4 HD13 LEU 4 52.981 14.732 -14.179 39 HD21 LEU 4 HD21 LEU 4 51.635 11.726 -15.059 40 HD22 LEU 4 HD22 LEU 4 52.626 13.001 -15.864 41 HD23 LEU 4 HD23 LEU 4 50.961 12.657 -16.451 42 H SER 5 HN SER 5 45.904 13.311 -14.824 43 HA SER 5 HA SER 5 45.289 12.074 -12.276 44 HB2 SER 5 HB2 SER 5 43.457 13.321 -14.435 45 HB3 SER 5 HB1 SER 5 42.878 12.693 -12.837 46 HG SER 5 HG SER 5 44.986 14.540 -12.932 47 H LYS 6 HN LYS 6 45.424 11.134 -15.686 48 HA LYS 6 HA LYS 6 43.614 8.863 -15.351 49 HB2 LYS 6 HB2 LYS 6 45.437 9.715 -17.692 50 HB3 LYS 6 HB1 LYS 6 44.269 8.339 -17.737 51 HG2 LYS 6 HG2 LYS 6 42.371 9.944 -17.336 52 HG3 LYS 6 HG1 LYS 6 43.537 11.314 -17.313 53 HD2 LYS 6 HD2 LYS 6 44.210 10.779 -19.669 54 HD3 LYS 6 HD1 LYS 6 43.036 9.416 -19.690 55 HE2 LYS 6 HE2 LYS 6 41.132 11.041 -19.365 56 HE3 LYS 6 HE1 LYS 6 42.313 12.415 -19.323 57 HZ1 LYS 6 HZ1 LYS 6 42.679 12.259 -21.524 58 HZ2 LYS 6 HZ2 LYS 6 41.087 11.667 -21.497 59 HZ3 LYS 6 HZ3 LYS 6 42.392 10.587 -21.614 60 H PHE 7 HN PHE 7 46.955 9.696 -14.900 61 HA PHE 7 HA PHE 7 48.163 7.148 -15.365 62 HB2 PHE 7 HB2 PHE 7 48.976 9.830 -14.124 63 HB3 PHE 7 HB1 PHE 7 50.030 8.392 -13.835 64 HD1 PHE 7 HD1 PHE 7 48.459 10.412 -16.662 65 HD2 PHE 7 HD2 PHE 7 51.682 7.877 -15.431 66 HE1 PHE 7 HE1 PHE 7 49.612 10.829 -18.766 67 HE2 PHE 7 HE2 PHE 7 52.804 8.321 -17.550 68 HZ PHE 7 HZ PHE 7 51.778 9.790 -19.217 69 H PHE 8 HN PHE 8 46.636 8.923 -12.797 70 HA PHE 8 HA PHE 8 47.696 7.247 -10.710 71 HB2 PHE 8 HB2 PHE 8 46.703 9.969 -11.153 72 HB3 PHE 8 HB1 PHE 8 45.805 9.189 -9.802 73 HD1 PHE 8 HD1 PHE 8 49.352 8.866 -10.967 74 HD2 PHE 8 HD2 PHE 8 46.743 10.062 -7.785 75 HE1 PHE 8 HE1 PHE 8 51.265 9.551 -9.663 76 HE2 PHE 8 HE2 PHE 8 48.706 10.691 -6.443 77 HZ PHE 8 HZ PHE 8 50.970 10.445 -7.373 78 H ARG 9 HN ARG 9 45.037 7.436 -12.796 79 HA ARG 9 HA ARG 9 43.213 6.203 -10.976 80 HB2 ARG 9 HB2 ARG 9 42.829 7.723 -13.213 81 HB3 ARG 9 HB1 ARG 9 43.044 6.172 -14.065 82 HG2 ARG 9 HG2 ARG 9 40.769 6.214 -13.873 83 HG3 ARG 9 HG1 ARG 9 41.182 5.290 -12.391 84 HD2 ARG 9 HD2 ARG 9 41.140 8.259 -11.917 85 HD3 ARG 9 HD1 ARG 9 39.559 7.634 -12.533 86 HE ARG 9 HE ARG 9 39.461 6.078 -10.610 87 HH11 ARG 9 HH11 ARG 9 42.142 8.503 -10.335 88 HH12 ARG 9 HH12 ARG 9 42.188 8.431 -8.604 89 HH21 ARG 9 HH21 ARG 9 39.581 6.046 -8.283 90 HH22 ARG 9 HH22 ARG 9 40.729 7.029 -7.437 91 H ASP 10 HN ASP 10 45.593 5.295 -13.467 92 HA ASP 10 HA ASP 10 44.624 2.551 -13.239 93 HB2 ASP 10 HB2 ASP 10 46.864 3.827 -14.926 94 HB3 ASP 10 HB1 ASP 10 46.634 2.040 -14.850 95 H PHE 11 HN PHE 11 47.284 4.567 -11.928 96 HA PHE 11 HA PHE 11 48.703 2.263 -11.126 97 HB2 PHE 11 HB2 PHE 11 50.484 3.644 -11.168 98 HB3 PHE 11 HB1 PHE 11 49.370 5.023 -11.408 99 HD1 PHE 11 HD1 PHE 11 51.018 2.985 -8.608 100 HD2 PHE 11 HD2 PHE 11 49.012 6.499 -9.872 101 HE1 PHE 11 HE1 PHE 11 51.221 3.957 -6.369 102 HE2 PHE 11 HE2 PHE 11 49.232 7.432 -7.702 103 HZ PHE 11 HZ PHE 11 50.273 6.205 -5.910 104 H ILE 12 HN ILE 12 46.612 4.463 -9.291 105 HA ILE 12 HA ILE 12 47.232 3.266 -6.823 106 HB ILE 12 HB ILE 12 44.929 4.867 -7.910 107 HG12 ILE 12 HG12 ILE 12 47.252 5.528 -6.040 108 HG13 ILE 12 HG11 ILE 12 47.127 5.805 -7.810 109 HG21 ILE 12 HG21 ILE 12 45.335 3.871 -4.958 110 HG22 ILE 12 HG22 ILE 12 43.891 3.579 -5.998 111 HG23 ILE 12 HG23 ILE 12 44.233 5.230 -5.390 112 HD11 ILE 12 HD11 ILE 12 46.735 7.837 -6.518 113 HD12 ILE 12 HD12 ILE 12 45.282 7.091 -5.753 114 HD13 ILE 12 HD13 ILE 12 45.310 7.369 -7.546 115 H LEU 13 HN LEU 13 44.894 2.601 -9.385 116 HA LEU 13 HA LEU 13 43.252 0.910 -7.775 117 HB2 LEU 13 HB2 LEU 13 43.524 1.637 -10.679 118 HB3 LEU 13 HB1 LEU 13 42.358 0.356 -10.195 119 HG LEU 13 HG LEU 13 41.421 2.665 -10.524 120 HD11 LEU 13 HD11 LEU 13 40.233 0.900 -9.141 121 HD12 LEU 13 HD12 LEU 13 39.784 2.594 -8.717 122 HD13 LEU 13 HD13 LEU 13 40.912 1.668 -7.655 123 HD21 LEU 13 HD21 LEU 13 41.676 4.534 -9.073 124 HD22 LEU 13 HD22 LEU 13 43.356 3.994 -9.413 125 HD23 LEU 13 HD23 LEU 13 42.576 3.604 -7.827 126 H GLN 14 HN GLN 14 45.962 0.291 -10.062 127 HA GLN 14 HA GLN 14 45.483 -2.543 -10.129 128 HB2 GLN 14 HB2 GLN 14 47.886 -0.848 -11.024 129 HB3 GLN 14 HB1 GLN 14 47.857 -2.647 -11.187 130 HG2 GLN 14 HG2 GLN 14 45.780 -2.482 -12.625 131 HG3 GLN 14 HG1 GLN 14 45.840 -0.684 -12.491 132 HE21 GLN 14 HE21 GLN 14 47.687 0.488 -13.548 133 HE22 GLN 14 HE22 GLN 14 48.608 -0.278 -14.798 134 H ARG 15 HN ARG 15 46.812 -0.618 -7.545 135 HA ARG 15 HA ARG 15 48.919 -2.321 -6.742 136 HB2 ARG 15 HB2 ARG 15 47.218 -0.301 -5.252 137 HB3 ARG 15 HB1 ARG 15 48.477 -1.272 -4.404 138 HG2 ARG 15 HG2 ARG 15 50.266 -0.305 -5.649 139 HG3 ARG 15 HG1 ARG 15 49.180 0.330 -6.924 140 HD2 ARG 15 HD2 ARG 15 49.963 2.170 -5.488 141 HD3 ARG 15 HD1 ARG 15 48.183 1.923 -5.264 142 HE ARG 15 HE ARG 15 49.745 0.411 -3.291 143 HH11 ARG 15 HH11 ARG 15 48.490 3.718 -4.035 144 HH12 ARG 15 HH12 ARG 15 48.440 4.209 -2.374 145 HH21 ARG 15 HH21 ARG 15 49.645 1.125 -1.077 146 HH22 ARG 15 HH22 ARG 15 49.103 2.720 -0.683 147 H LYS 16 HN LYS 16 45.460 -2.161 -5.964 148 HA LYS 16 HA LYS 16 43.991 -3.412 -5.005 149 HB2 LYS 16 HB2 LYS 16 45.821 -5.754 -5.725 150 HB3 LYS 16 HB1 LYS 16 44.105 -5.915 -5.231 151 HG2 LYS 16 HG2 LYS 16 45.101 -4.453 -7.767 152 HG3 LYS 16 HG1 LYS 16 44.513 -6.143 -7.719 153 HD2 LYS 16 HD2 LYS 16 42.245 -5.305 -6.934 154 HD3 LYS 16 HD1 LYS 16 42.842 -3.614 -7.062 155 HE2 LYS 16 HE2 LYS 16 43.229 -3.923 -9.534 156 HE3 LYS 16 HE1 LYS 16 42.623 -5.626 -9.414 157 HZ1 LYS 16 HZ1 LYS 16 40.881 -3.576 -8.316 158 HZ2 LYS 16 HZ2 LYS 16 40.529 -4.930 -9.277 159 HZ3 LYS 16 HZ3 LYS 16 41.122 -3.508 -9.995 160 H LYS 17 HN LYS 17 45.532 -2.069 -3.379 161 HA LYS 17 HA LYS 17 46.189 -1.726 -1.404 162 HB2 LYS 17 HB2 LYS 17 44.822 -4.289 -0.367 163 HB3 LYS 17 HB1 LYS 17 45.249 -2.825 0.583 164 HG2 LYS 17 HG2 LYS 17 43.096 -2.165 0.251 165 HG3 LYS 17 HG1 LYS 17 43.609 -1.713 -1.406 166 HD2 LYS 17 HD2 LYS 17 43.017 -4.344 -1.883 167 HD3 LYS 17 HD1 LYS 17 41.991 -4.114 -0.428 168 HE2 LYS 17 HE2 LYS 17 40.822 -2.176 -1.572 169 HE3 LYS 17 HE1 LYS 17 41.857 -2.436 -3.037 170 HZ1 LYS 17 HZ1 LYS 17 40.158 -4.575 -1.872 171 HZ2 LYS 17 HZ2 LYS 17 40.877 -4.500 -3.410 172 HZ3 LYS 17 HZ3 LYS 17 39.587 -3.465 -3.024 Start of MODEL 14 1 H1 GLU 1 HT1 GLU 1 50.272 23.297 -18.872 2 H2 GLU 1 HT2 GLU 1 51.531 22.804 -19.899 3 H3 GLU 1 HT3 GLU 1 51.464 22.228 -18.303 4 HA GLU 1 HA GLU 1 49.108 21.435 -19.104 5 HB2 GLU 1 HB2 GLU 1 50.913 21.490 -21.619 6 HB3 GLU 1 HB1 GLU 1 49.516 20.359 -21.476 7 HG2 GLU 1 HG2 GLU 1 47.931 22.308 -21.222 8 HG3 GLU 1 HG1 GLU 1 49.318 23.460 -21.348 9 H MET 2 HN MET 2 49.452 19.875 -17.507 10 HA MET 2 HA MET 2 51.063 17.590 -18.285 11 HB2 MET 2 HB2 MET 2 52.606 19.205 -16.882 12 HB3 MET 2 HB1 MET 2 51.502 18.903 -15.505 13 HG2 MET 2 HG2 MET 2 52.040 16.459 -15.597 14 HG3 MET 2 HG1 MET 2 53.105 16.735 -17.014 15 HE1 MET 2 HE1 MET 2 55.014 15.468 -15.879 16 HE2 MET 2 HE2 MET 2 53.959 15.162 -14.455 17 HE3 MET 2 HE3 MET 2 55.631 15.778 -14.219 18 H ARG 3 HN ARG 3 50.091 15.677 -17.507 19 HA ARG 3 HA ARG 3 47.745 16.054 -15.740 20 HB2 ARG 3 HB2 ARG 3 48.164 13.991 -18.009 21 HB3 ARG 3 HB1 ARG 3 46.781 13.974 -16.851 22 HG2 ARG 3 HG2 ARG 3 46.065 16.239 -17.697 23 HG3 ARG 3 HG1 ARG 3 47.422 16.216 -18.880 24 HD2 ARG 3 HD2 ARG 3 46.436 14.138 -19.960 25 HD3 ARG 3 HD1 ARG 3 45.047 14.211 -18.783 26 HE ARG 3 HE ARG 3 45.309 16.778 -20.097 27 HH11 ARG 3 HH11 ARG 3 44.292 13.390 -20.811 28 HH12 ARG 3 HH12 ARG 3 43.221 13.844 -22.093 29 HH21 ARG 3 HH21 ARG 3 43.850 17.333 -21.839 30 HH22 ARG 3 HH22 ARG 3 42.970 16.102 -22.680 31 H LEU 4 HN LEU 4 47.402 14.394 -14.140 32 HA LEU 4 HA LEU 4 49.404 12.331 -13.875 33 HB2 LEU 4 HB2 LEU 4 49.842 14.822 -12.533 34 HB3 LEU 4 HB1 LEU 4 49.113 13.789 -11.267 35 HG LEU 4 HG LEU 4 51.417 12.635 -12.925 36 HD11 LEU 4 HD11 LEU 4 52.243 14.918 -12.375 37 HD12 LEU 4 HD12 LEU 4 53.147 13.657 -11.456 38 HD13 LEU 4 HD13 LEU 4 51.884 14.645 -10.626 39 HD21 LEU 4 HD21 LEU 4 52.006 11.491 -10.770 40 HD22 LEU 4 HD22 LEU 4 50.299 11.169 -11.236 41 HD23 LEU 4 HD23 LEU 4 50.662 12.358 -9.933 42 H SER 5 HN SER 5 46.297 13.068 -14.173 43 HA SER 5 HA SER 5 45.260 11.874 -11.745 44 HB2 SER 5 HB2 SER 5 43.839 12.822 -14.319 45 HB3 SER 5 HB1 SER 5 42.981 12.176 -12.859 46 HG SER 5 HG SER 5 44.850 14.214 -12.503 47 H LYS 6 HN LYS 6 45.874 10.874 -15.158 48 HA LYS 6 HA LYS 6 44.393 8.385 -14.837 49 HB2 LYS 6 HB2 LYS 6 46.223 9.417 -17.095 50 HB3 LYS 6 HB1 LYS 6 45.319 7.854 -17.146 51 HG2 LYS 6 HG2 LYS 6 43.148 9.118 -16.913 52 HG3 LYS 6 HG1 LYS 6 44.059 10.670 -16.910 53 HD2 LYS 6 HD2 LYS 6 44.937 10.154 -19.205 54 HD3 LYS 6 HD1 LYS 6 44.023 8.605 -19.202 55 HE2 LYS 6 HE2 LYS 6 41.848 9.883 -19.047 56 HE3 LYS 6 HE1 LYS 6 42.771 11.443 -19.042 57 HZ1 LYS 6 HZ1 LYS 6 43.216 9.508 -21.214 58 HZ2 LYS 6 HZ2 LYS 6 43.323 11.203 -21.213 59 HZ3 LYS 6 HZ3 LYS 6 41.802 10.447 -21.213 60 H PHE 7 HN PHE 7 47.543 9.613 -14.107 61 HA PHE 7 HA PHE 7 49.098 7.232 -14.385 62 HB2 PHE 7 HB2 PHE 7 49.385 9.966 -13.013 63 HB3 PHE 7 HB1 PHE 7 50.597 8.671 -12.662 64 HD1 PHE 7 HD1 PHE 7 49.075 10.657 -15.528 65 HD2 PHE 7 HD2 PHE 7 52.433 8.399 -14.130 66 HE1 PHE 7 HE1 PHE 7 50.361 11.332 -17.481 67 HE2 PHE 7 HE2 PHE 7 53.687 9.097 -16.101 68 HZ PHE 7 HZ PHE 7 52.662 10.558 -17.775 69 H PHE 8 HN PHE 8 47.096 8.836 -12.019 70 HA PHE 8 HA PHE 8 48.041 7.242 -9.815 71 HB2 PHE 8 HB2 PHE 8 46.856 9.869 -10.380 72 HB3 PHE 8 HB1 PHE 8 45.900 9.001 -9.130 73 HD1 PHE 8 HD1 PHE 8 49.574 8.927 -9.858 74 HD2 PHE 8 HD2 PHE 8 46.521 10.060 -7.072 75 HE1 PHE 8 HE1 PHE 8 51.264 9.778 -8.356 76 HE2 PHE 8 HE2 PHE 8 48.260 10.854 -5.525 77 HZ PHE 8 HZ PHE 8 50.633 10.721 -6.160 78 H ARG 9 HN ARG 9 45.619 7.283 -12.185 79 HA ARG 9 HA ARG 9 43.737 5.815 -10.623 80 HB2 ARG 9 HB2 ARG 9 43.099 7.380 -12.492 81 HB3 ARG 9 HB1 ARG 9 44.064 6.399 -13.638 82 HG2 ARG 9 HG2 ARG 9 42.537 4.516 -13.404 83 HG3 ARG 9 HG1 ARG 9 41.605 5.366 -12.122 84 HD2 ARG 9 HD2 ARG 9 40.860 7.082 -13.709 85 HD3 ARG 9 HD1 ARG 9 41.950 6.414 -15.008 86 HE ARG 9 HE ARG 9 40.143 4.340 -14.035 87 HH11 ARG 9 HH11 ARG 9 40.189 7.295 -16.109 88 HH12 ARG 9 HH12 ARG 9 38.867 6.776 -17.099 89 HH21 ARG 9 HH21 ARG 9 38.372 3.688 -15.404 90 HH22 ARG 9 HH22 ARG 9 37.826 4.708 -16.693 91 H ASP 10 HN ASP 10 46.532 5.202 -12.824 92 HA ASP 10 HA ASP 10 45.782 2.376 -12.802 93 HB2 ASP 10 HB2 ASP 10 47.983 3.992 -14.196 94 HB3 ASP 10 HB1 ASP 10 48.119 2.198 -14.102 95 H PHE 11 HN PHE 11 47.782 4.535 -10.879 96 HA PHE 11 HA PHE 11 49.322 2.320 -9.965 97 HB2 PHE 11 HB2 PHE 11 51.001 3.802 -9.743 98 HB3 PHE 11 HB1 PHE 11 49.857 5.107 -10.180 99 HD1 PHE 11 HD1 PHE 11 51.070 3.161 -7.092 100 HD2 PHE 11 HD2 PHE 11 49.266 6.606 -8.768 101 HE1 PHE 11 HE1 PHE 11 50.857 4.184 -4.879 102 HE2 PHE 11 HE2 PHE 11 49.088 7.587 -6.618 103 HZ PHE 11 HZ PHE 11 49.814 6.416 -4.645 104 H ILE 12 HN ILE 12 46.865 4.419 -8.521 105 HA ILE 12 HA ILE 12 47.122 3.288 -5.956 106 HB ILE 12 HB ILE 12 44.964 4.769 -7.444 107 HG12 ILE 12 HG12 ILE 12 46.862 5.586 -5.190 108 HG13 ILE 12 HG11 ILE 12 47.116 5.783 -6.956 109 HG21 ILE 12 HG21 ILE 12 44.887 3.745 -4.483 110 HG22 ILE 12 HG22 ILE 12 43.620 3.538 -5.751 111 HG23 ILE 12 HG23 ILE 12 43.902 5.153 -5.027 112 HD11 ILE 12 HD11 ILE 12 46.368 7.847 -5.890 113 HD12 ILE 12 HD12 ILE 12 44.816 7.062 -5.411 114 HD13 ILE 12 HD13 ILE 12 45.213 7.269 -7.169 115 H LEU 13 HN LEU 13 45.256 2.461 -8.842 116 HA LEU 13 HA LEU 13 43.341 0.866 -7.473 117 HB2 LEU 13 HB2 LEU 13 44.190 1.353 -10.313 118 HB3 LEU 13 HB1 LEU 13 42.959 0.088 -9.972 119 HG LEU 13 HG LEU 13 42.114 2.368 -10.665 120 HD11 LEU 13 HD11 LEU 13 40.981 1.453 -7.958 121 HD12 LEU 13 HD12 LEU 13 40.641 0.672 -9.550 122 HD13 LEU 13 HD13 LEU 13 40.115 2.369 -9.248 123 HD21 LEU 13 HD21 LEU 13 42.000 4.330 -9.288 124 HD22 LEU 13 HD22 LEU 13 43.722 3.803 -9.197 125 HD23 LEU 13 HD23 LEU 13 42.599 3.468 -7.820 126 H GLN 14 HN GLN 14 46.445 0.055 -9.099 127 HA GLN 14 HA GLN 14 45.986 -2.758 -9.096 128 HB2 GLN 14 HB2 GLN 14 48.599 -1.147 -9.261 129 HB3 GLN 14 HB1 GLN 14 48.536 -2.946 -9.410 130 HG2 GLN 14 HG2 GLN 14 46.951 -2.685 -11.399 131 HG3 GLN 14 HG1 GLN 14 47.158 -0.896 -11.286 132 HE21 GLN 14 HE21 GLN 14 49.462 -0.013 -11.568 133 HE22 GLN 14 HE22 GLN 14 50.584 -0.902 -12.542 134 H ARG 15 HN ARG 15 46.783 -0.622 -6.403 135 HA ARG 15 HA ARG 15 48.156 -2.725 -4.918 136 HB2 ARG 15 HB2 ARG 15 47.353 0.112 -4.103 137 HB3 ARG 15 HB1 ARG 15 48.281 -1.043 -3.068 138 HG2 ARG 15 HG2 ARG 15 49.994 -1.170 -5.028 139 HG3 ARG 15 HG1 ARG 15 49.131 0.250 -5.721 140 HD2 ARG 15 HD2 ARG 15 49.559 1.531 -3.573 141 HD3 ARG 15 HD1 ARG 15 50.480 0.090 -2.951 142 HE ARG 15 HE ARG 15 51.531 0.891 -5.541 143 HH11 ARG 15 HH11 ARG 15 51.484 1.946 -2.091 144 HH12 ARG 15 HH12 ARG 15 52.982 2.809 -2.198 145 HH21 ARG 15 HH21 ARG 15 53.540 2.084 -5.633 146 HH22 ARG 15 HH22 ARG 15 54.157 2.888 -4.229 147 H LYS 16 HN LYS 16 44.962 -2.018 -5.680 148 HA LYS 16 HA LYS 16 43.904 -2.883 -3.072 149 HB2 LYS 16 HB2 LYS 16 42.428 -1.680 -5.489 150 HB3 LYS 16 HB1 LYS 16 41.714 -2.077 -3.880 151 HG2 LYS 16 HG2 LYS 16 43.788 -0.381 -3.113 152 HG3 LYS 16 HG1 LYS 16 43.418 0.270 -4.742 153 HD2 LYS 16 HD2 LYS 16 41.293 -0.207 -2.571 154 HD3 LYS 16 HD1 LYS 16 42.196 1.330 -2.731 155 HE2 LYS 16 HE2 LYS 16 40.441 0.142 -5.017 156 HE3 LYS 16 HE1 LYS 16 39.853 1.344 -3.804 157 HZ1 LYS 16 HZ1 LYS 16 41.616 1.681 -6.080 158 HZ2 LYS 16 HZ2 LYS 16 42.079 2.523 -4.679 159 HZ3 LYS 16 HZ3 LYS 16 40.536 2.765 -5.345 160 H LYS 17 HN LYS 17 44.636 -3.750 -6.403 161 HA LYS 17 HA LYS 17 42.717 -5.929 -6.397 162 HB2 LYS 17 HB2 LYS 17 44.612 -4.744 -8.509 163 HB3 LYS 17 HB1 LYS 17 43.642 -6.236 -8.801 164 HG2 LYS 17 HG2 LYS 17 41.533 -5.012 -8.538 165 HG3 LYS 17 HG1 LYS 17 42.387 -3.522 -8.014 166 HD2 LYS 17 HD2 LYS 17 43.486 -3.359 -10.254 167 HD3 LYS 17 HD1 LYS 17 42.623 -4.845 -10.795 168 HE2 LYS 17 HE2 LYS 17 40.404 -3.667 -10.498 169 HE3 LYS 17 HE1 LYS 17 41.273 -2.177 -9.941 170 HZ1 LYS 17 HZ1 LYS 17 42.139 -3.286 -12.488 171 HZ2 LYS 17 HZ2 LYS 17 41.871 -1.678 -12.010 172 HZ3 LYS 17 HZ3 LYS 17 40.560 -2.664 -12.451 Start of MODEL 15 1 H1 GLU 1 HT1 GLU 1 50.392 20.909 -22.360 2 H2 GLU 1 HT2 GLU 1 51.594 20.578 -21.205 3 H3 GLU 1 HT3 GLU 1 50.848 22.103 -21.241 4 HA GLU 1 HA GLU 1 49.745 21.182 -19.532 5 HB2 GLU 1 HB2 GLU 1 48.233 20.378 -22.105 6 HB3 GLU 1 HB1 GLU 1 47.502 20.116 -20.475 7 HG2 GLU 1 HG2 GLU 1 47.662 22.591 -19.983 8 HG3 GLU 1 HG1 GLU 1 48.395 22.870 -21.610 9 H MET 2 HN MET 2 50.197 19.575 -18.089 10 HA MET 2 HA MET 2 50.180 16.792 -19.073 11 HB2 MET 2 HB2 MET 2 52.154 18.057 -17.047 12 HB3 MET 2 HB1 MET 2 52.000 16.288 -17.343 13 HG2 MET 2 HG2 MET 2 52.698 16.620 -19.721 14 HG3 MET 2 HG1 MET 2 52.849 18.386 -19.437 15 HE1 MET 2 HE1 MET 2 55.061 16.543 -20.704 16 HE2 MET 2 HE2 MET 2 56.536 17.215 -19.928 17 HE3 MET 2 HE3 MET 2 55.216 18.317 -20.447 18 H ARG 3 HN ARG 3 49.438 15.230 -17.484 19 HA ARG 3 HA ARG 3 48.090 16.425 -15.146 20 HB2 ARG 3 HB2 ARG 3 46.998 14.272 -17.077 21 HB3 ARG 3 HB1 ARG 3 46.287 14.614 -15.457 22 HG2 ARG 3 HG2 ARG 3 45.725 16.939 -16.158 23 HG3 ARG 3 HG1 ARG 3 46.514 16.678 -17.747 24 HD2 ARG 3 HD2 ARG 3 44.040 16.479 -17.992 25 HD3 ARG 3 HD1 ARG 3 44.799 14.848 -18.267 26 HE ARG 3 HE ARG 3 44.079 15.152 -15.458 27 HH11 ARG 3 HH11 ARG 3 42.528 14.671 -18.683 28 HH12 ARG 3 HH12 ARG 3 41.203 13.755 -18.048 29 HH21 ARG 3 HH21 ARG 3 42.278 13.902 -14.665 30 HH22 ARG 3 HH22 ARG 3 41.061 13.315 -15.748 31 H LEU 4 HN LEU 4 48.006 15.088 -13.284 32 HA LEU 4 HA LEU 4 49.712 12.690 -13.406 33 HB2 LEU 4 HB2 LEU 4 49.458 14.806 -11.173 34 HB3 LEU 4 HB1 LEU 4 50.274 13.220 -10.933 35 HG LEU 4 HG LEU 4 51.173 15.304 -13.030 36 HD11 LEU 4 HD11 LEU 4 52.319 14.839 -10.193 37 HD12 LEU 4 HD12 LEU 4 51.374 16.277 -10.739 38 HD13 LEU 4 HD13 LEU 4 52.996 15.945 -11.451 39 HD21 LEU 4 HD21 LEU 4 52.077 13.165 -13.709 40 HD22 LEU 4 HD22 LEU 4 52.444 12.672 -12.013 41 HD23 LEU 4 HD23 LEU 4 53.421 13.961 -12.812 42 H SER 5 HN SER 5 46.602 13.512 -13.522 43 HA SER 5 HA SER 5 45.624 12.084 -11.192 44 HB2 SER 5 HB2 SER 5 44.150 13.312 -13.618 45 HB3 SER 5 HB1 SER 5 43.318 12.514 -12.219 46 HG SER 5 HG SER 5 45.183 14.607 -11.873 47 H LYS 6 HN LYS 6 46.561 11.366 -14.514 48 HA LYS 6 HA LYS 6 44.953 8.929 -14.681 49 HB2 LYS 6 HB2 LYS 6 47.136 10.093 -16.535 50 HB3 LYS 6 HB1 LYS 6 46.154 8.620 -16.887 51 HG2 LYS 6 HG2 LYS 6 44.056 10.013 -16.839 52 HG3 LYS 6 HG1 LYS 6 45.041 11.483 -16.513 53 HD2 LYS 6 HD2 LYS 6 46.247 11.149 -18.694 54 HD3 LYS 6 HD1 LYS 6 45.241 9.693 -19.017 55 HE2 LYS 6 HE2 LYS 6 43.161 11.129 -19.041 56 HE3 LYS 6 HE1 LYS 6 44.174 12.593 -18.704 57 HZ1 LYS 6 HZ1 LYS 6 45.188 12.420 -20.771 58 HZ2 LYS 6 HZ2 LYS 6 43.546 12.115 -21.077 59 HZ3 LYS 6 HZ3 LYS 6 44.656 10.831 -21.042 60 H PHE 7 HN PHE 7 48.022 10.012 -13.423 61 HA PHE 7 HA PHE 7 49.544 7.603 -13.695 62 HB2 PHE 7 HB2 PHE 7 49.762 10.243 -12.172 63 HB3 PHE 7 HB1 PHE 7 50.756 8.864 -11.570 64 HD1 PHE 7 HD1 PHE 7 50.036 10.832 -14.758 65 HD2 PHE 7 HD2 PHE 7 52.884 8.563 -12.503 66 HE1 PHE 7 HE1 PHE 7 51.783 11.405 -16.355 67 HE2 PHE 7 HE2 PHE 7 54.605 9.159 -14.125 68 HZ PHE 7 HZ PHE 7 54.064 10.575 -16.046 69 H PHE 8 HN PHE 8 47.288 9.089 -11.511 70 HA PHE 8 HA PHE 8 47.867 7.301 -9.337 71 HB2 PHE 8 HB2 PHE 8 46.898 10.021 -9.842 72 HB3 PHE 8 HB1 PHE 8 45.702 9.116 -8.840 73 HD1 PHE 8 HD1 PHE 8 49.445 8.948 -9.016 74 HD2 PHE 8 HD2 PHE 8 46.031 9.871 -6.592 75 HE1 PHE 8 HE1 PHE 8 50.909 9.555 -7.195 76 HE2 PHE 8 HE2 PHE 8 47.537 10.422 -4.727 77 HZ PHE 8 HZ PHE 8 49.976 10.271 -5.019 78 H ARG 9 HN ARG 9 45.831 7.551 -12.029 79 HA ARG 9 HA ARG 9 43.740 5.993 -10.819 80 HB2 ARG 9 HB2 ARG 9 43.355 7.791 -12.577 81 HB3 ARG 9 HB1 ARG 9 44.341 6.841 -13.734 82 HG2 ARG 9 HG2 ARG 9 42.714 5.072 -13.795 83 HG3 ARG 9 HG1 ARG 9 41.778 5.776 -12.429 84 HD2 ARG 9 HD2 ARG 9 41.224 7.776 -13.825 85 HD3 ARG 9 HD1 ARG 9 42.181 7.073 -15.207 86 HE ARG 9 HE ARG 9 40.298 5.074 -14.444 87 HH11 ARG 9 HH11 ARG 9 40.180 8.443 -15.734 88 HH12 ARG 9 HH12 ARG 9 38.662 8.219 -16.537 89 HH21 ARG 9 HH21 ARG 9 38.256 4.829 -15.541 90 HH22 ARG 9 HH22 ARG 9 37.560 6.146 -16.425 91 H ASP 10 HN ASP 10 46.793 5.603 -12.631 92 HA ASP 10 HA ASP 10 46.084 2.816 -13.122 93 HB2 ASP 10 HB2 ASP 10 48.713 4.351 -13.654 94 HB3 ASP 10 HB1 ASP 10 48.434 2.635 -14.128 95 H PHE 11 HN PHE 11 47.922 4.716 -10.734 96 HA PHE 11 HA PHE 11 49.173 2.375 -9.744 97 HB2 PHE 11 HB2 PHE 11 50.816 3.785 -9.135 98 HB3 PHE 11 HB1 PHE 11 49.775 5.157 -9.623 99 HD1 PHE 11 HD1 PHE 11 50.523 2.932 -6.589 100 HD2 PHE 11 HD2 PHE 11 48.918 6.514 -8.186 101 HE1 PHE 11 HE1 PHE 11 49.970 3.734 -4.346 102 HE2 PHE 11 HE2 PHE 11 48.411 7.285 -6.005 103 HZ PHE 11 HZ PHE 11 48.860 5.933 -4.061 104 H ILE 12 HN ILE 12 46.525 4.403 -8.505 105 HA ILE 12 HA ILE 12 46.385 3.034 -6.055 106 HB ILE 12 HB ILE 12 44.479 4.679 -7.700 107 HG12 ILE 12 HG12 ILE 12 45.997 5.196 -5.093 108 HG13 ILE 12 HG11 ILE 12 46.521 5.598 -6.762 109 HG21 ILE 12 HG21 ILE 12 43.018 4.811 -5.481 110 HG22 ILE 12 HG22 ILE 12 43.918 3.361 -4.910 111 HG23 ILE 12 HG23 ILE 12 42.891 3.265 -6.388 112 HD11 ILE 12 HD11 ILE 12 44.043 6.744 -5.397 113 HD12 ILE 12 HD12 ILE 12 44.627 7.112 -7.072 114 HD13 ILE 12 HD13 ILE 12 45.642 7.547 -5.620 115 H LEU 13 HN LEU 13 45.027 2.467 -9.267 116 HA LEU 13 HA LEU 13 43.015 0.648 -8.381 117 HB2 LEU 13 HB2 LEU 13 44.284 1.465 -10.988 118 HB3 LEU 13 HB1 LEU 13 43.064 0.143 -10.971 119 HG LEU 13 HG LEU 13 42.281 2.497 -11.554 120 HD11 LEU 13 HD11 LEU 13 40.058 2.297 -10.475 121 HD12 LEU 13 HD12 LEU 13 40.740 1.121 -9.294 122 HD13 LEU 13 HD13 LEU 13 40.677 0.703 -11.044 123 HD21 LEU 13 HD21 LEU 13 43.518 3.788 -9.676 124 HD22 LEU 13 HD22 LEU 13 42.219 3.217 -8.551 125 HD23 LEU 13 HD23 LEU 13 41.795 4.245 -9.965 126 H GLN 14 HN GLN 14 46.404 0.278 -9.390 127 HA GLN 14 HA GLN 14 46.317 -2.567 -9.714 128 HB2 GLN 14 HB2 GLN 14 48.567 -0.521 -9.375 129 HB3 GLN 14 HB1 GLN 14 48.939 -2.285 -9.333 130 HG2 GLN 14 HG2 GLN 14 47.975 -2.568 -11.640 131 HG3 GLN 14 HG1 GLN 14 47.552 -0.816 -11.685 132 HE21 GLN 14 HE21 GLN 14 50.450 -3.013 -11.137 133 HE22 GLN 14 HE22 GLN 14 51.599 -1.958 -11.889 134 H ARG 15 HN ARG 15 46.432 -0.500 -6.831 135 HA ARG 15 HA ARG 15 47.595 -2.667 -5.225 136 HB2 ARG 15 HB2 ARG 15 47.045 0.265 -4.540 137 HB3 ARG 15 HB1 ARG 15 47.722 -0.952 -3.389 138 HG2 ARG 15 HG2 ARG 15 49.611 -1.361 -5.094 139 HG3 ARG 15 HG1 ARG 15 48.991 0.059 -6.008 140 HD2 ARG 15 HD2 ARG 15 49.296 1.480 -3.913 141 HD3 ARG 15 HD1 ARG 15 50.050 0.026 -3.117 142 HE ARG 15 HE ARG 15 51.382 0.481 -5.636 143 HH11 ARG 15 HH11 ARG 15 51.074 2.023 -2.389 144 HH12 ARG 15 HH12 ARG 15 52.616 2.807 -2.473 145 HH21 ARG 15 HH21 ARG 15 53.446 1.570 -5.700 146 HH22 ARG 15 HH22 ARG 15 53.974 2.546 -4.370 147 H LYS 16 HN LYS 16 44.694 -2.535 -6.423 148 HA LYS 16 HA LYS 16 43.151 -2.541 -3.926 149 HB2 LYS 16 HB2 LYS 16 42.299 -2.758 -6.860 150 HB3 LYS 16 HB1 LYS 16 41.167 -2.946 -5.463 151 HG2 LYS 16 HG2 LYS 16 41.944 -0.609 -4.669 152 HG3 LYS 16 HG1 LYS 16 42.797 -0.455 -6.244 153 HD2 LYS 16 HD2 LYS 16 40.653 -0.776 -7.457 154 HD3 LYS 16 HD1 LYS 16 39.803 -0.994 -5.886 155 HE2 LYS 16 HE2 LYS 16 40.386 1.381 -5.237 156 HE3 LYS 16 HE1 LYS 16 41.235 1.600 -6.823 157 HZ1 LYS 16 HZ1 LYS 16 38.927 0.795 -7.719 158 HZ2 LYS 16 HZ2 LYS 16 39.203 2.414 -7.290 159 HZ3 LYS 16 HZ3 LYS 16 38.370 1.385 -6.228 160 H LYS 17 HN LYS 17 44.993 -4.595 -5.989 161 HA LYS 17 HA LYS 17 45.295 -6.716 -6.238 162 HB2 LYS 17 HB2 LYS 17 43.941 -7.157 -3.499 163 HB3 LYS 17 HB1 LYS 17 44.995 -8.337 -4.352 164 HG2 LYS 17 HG2 LYS 17 46.723 -7.471 -3.161 165 HG3 LYS 17 HG1 LYS 17 46.647 -6.051 -4.254 166 HD2 LYS 17 HD2 LYS 17 45.094 -4.904 -2.623 167 HD3 LYS 17 HD1 LYS 17 45.189 -6.323 -1.531 168 HE2 LYS 17 HE2 LYS 17 47.710 -4.729 -2.391 169 HE3 LYS 17 HE1 LYS 17 46.711 -4.282 -0.951 170 HZ1 LYS 17 HZ1 LYS 17 48.411 -6.636 -1.407 171 HZ2 LYS 17 HZ2 LYS 17 47.066 -6.786 -0.382 172 HZ3 LYS 17 HZ3 LYS 17 48.266 -5.632 -0.047 Start of MODEL 16 1 H1 GLU 1 HT1 GLU 1 55.400 18.441 -17.262 2 H2 GLU 1 HT2 GLU 1 55.382 18.979 -15.651 3 H3 GLU 1 HT3 GLU 1 54.227 19.558 -16.753 4 HA GLU 1 HA GLU 1 53.812 16.960 -16.970 5 HB2 GLU 1 HB2 GLU 1 54.780 17.542 -14.092 6 HB3 GLU 1 HB1 GLU 1 53.612 16.208 -14.419 7 HG2 GLU 1 HG2 GLU 1 55.269 15.114 -15.986 8 HG3 GLU 1 HG1 GLU 1 56.451 16.443 -15.665 9 H MET 2 HN MET 2 51.772 17.594 -17.657 10 HA MET 2 HA MET 2 49.972 18.669 -15.586 11 HB2 MET 2 HB2 MET 2 50.117 19.561 -18.551 12 HB3 MET 2 HB1 MET 2 48.763 19.974 -17.437 13 HG2 MET 2 HG2 MET 2 50.343 21.238 -15.974 14 HG3 MET 2 HG1 MET 2 51.706 20.816 -17.063 15 HE1 MET 2 HE1 MET 2 50.974 23.730 -16.104 16 HE2 MET 2 HE2 MET 2 51.262 24.651 -17.621 17 HE3 MET 2 HE3 MET 2 52.360 23.301 -17.168 18 H ARG 3 HN ARG 3 47.811 17.875 -15.724 19 HA ARG 3 HA ARG 3 46.224 16.412 -16.047 20 HB2 ARG 3 HB2 ARG 3 47.210 16.136 -18.963 21 HB3 ARG 3 HB1 ARG 3 45.653 15.483 -18.334 22 HG2 ARG 3 HG2 ARG 3 44.914 17.826 -17.759 23 HG3 ARG 3 HG1 ARG 3 46.459 18.467 -18.404 24 HD2 ARG 3 HD2 ARG 3 44.764 18.785 -20.142 25 HD3 ARG 3 HD1 ARG 3 45.824 17.418 -20.703 26 HE ARG 3 HE ARG 3 43.589 16.339 -19.198 27 HH11 ARG 3 HH11 ARG 3 44.283 17.941 -22.358 28 HH12 ARG 3 HH12 ARG 3 42.957 17.186 -23.175 29 HH21 ARG 3 HH21 ARG 3 41.822 15.347 -20.354 30 HH22 ARG 3 HH22 ARG 3 41.550 15.700 -22.028 31 H LEU 4 HN LEU 4 47.165 15.002 -14.449 32 HA LEU 4 HA LEU 4 47.952 12.466 -15.646 33 HB2 LEU 4 HB2 LEU 4 49.707 12.128 -13.794 34 HB3 LEU 4 HB1 LEU 4 50.145 13.288 -15.074 35 HG LEU 4 HG LEU 4 48.787 14.701 -12.840 36 HD11 LEU 4 HD11 LEU 4 50.478 14.401 -11.059 37 HD12 LEU 4 HD12 LEU 4 51.341 13.161 -12.047 38 HD13 LEU 4 HD13 LEU 4 49.674 12.832 -11.441 39 HD21 LEU 4 HD21 LEU 4 50.800 16.164 -12.931 40 HD22 LEU 4 HD22 LEU 4 50.187 15.825 -14.593 41 HD23 LEU 4 HD23 LEU 4 51.652 14.967 -13.980 42 H SER 5 HN SER 5 45.371 13.288 -14.796 43 HA SER 5 HA SER 5 44.996 12.240 -12.116 44 HB2 SER 5 HB2 SER 5 42.959 13.168 -14.256 45 HB3 SER 5 HB1 SER 5 42.518 12.655 -12.575 46 HG SER 5 HG SER 5 44.442 14.659 -13.067 47 H LYS 6 HN LYS 6 44.963 11.115 -15.458 48 HA LYS 6 HA LYS 6 43.410 8.717 -14.878 49 HB2 LYS 6 HB2 LYS 6 44.855 9.728 -17.404 50 HB3 LYS 6 HB1 LYS 6 43.928 8.181 -17.322 51 HG2 LYS 6 HG2 LYS 6 41.860 9.487 -16.648 52 HG3 LYS 6 HG1 LYS 6 42.779 11.016 -16.834 53 HD2 LYS 6 HD2 LYS 6 42.409 8.984 -19.120 54 HD3 LYS 6 HD1 LYS 6 41.228 10.289 -18.771 55 HE2 LYS 6 HE2 LYS 6 43.082 12.019 -19.129 56 HE3 LYS 6 HE1 LYS 6 44.205 10.671 -19.584 57 HZ1 LYS 6 HZ1 LYS 6 42.096 10.187 -21.149 58 HZ2 LYS 6 HZ2 LYS 6 43.442 11.121 -21.598 59 HZ3 LYS 6 HZ3 LYS 6 42.023 11.880 -21.054 60 H PHE 7 HN PHE 7 46.701 9.826 -14.678 61 HA PHE 7 HA PHE 7 48.083 7.365 -15.172 62 HB2 PHE 7 HB2 PHE 7 48.718 10.109 -13.990 63 HB3 PHE 7 HB1 PHE 7 49.859 8.765 -13.619 64 HD1 PHE 7 HD1 PHE 7 48.171 10.438 -16.615 65 HD2 PHE 7 HD2 PHE 7 51.631 8.429 -15.095 66 HE1 PHE 7 HE1 PHE 7 49.352 10.867 -18.696 67 HE2 PHE 7 HE2 PHE 7 52.778 8.874 -17.197 68 HZ PHE 7 HZ PHE 7 51.649 10.089 -18.996 69 H PHE 8 HN PHE 8 46.545 9.067 -12.575 70 HA PHE 8 HA PHE 8 47.741 7.479 -10.501 71 HB2 PHE 8 HB2 PHE 8 46.596 10.139 -10.970 72 HB3 PHE 8 HB1 PHE 8 45.754 9.336 -9.593 73 HD1 PHE 8 HD1 PHE 8 49.298 9.148 -10.792 74 HD2 PHE 8 HD2 PHE 8 46.672 10.314 -7.613 75 HE1 PHE 8 HE1 PHE 8 51.193 9.935 -9.524 76 HE2 PHE 8 HE2 PHE 8 48.620 11.052 -6.307 77 HZ PHE 8 HZ PHE 8 50.883 10.869 -7.253 78 H ARG 9 HN ARG 9 45.024 7.539 -12.509 79 HA ARG 9 HA ARG 9 43.366 6.113 -10.663 80 HB2 ARG 9 HB2 ARG 9 42.543 7.765 -12.404 81 HB3 ARG 9 HB1 ARG 9 43.197 6.699 -13.686 82 HG2 ARG 9 HG2 ARG 9 41.594 4.956 -13.137 83 HG3 ARG 9 HG1 ARG 9 40.996 5.884 -11.713 84 HD2 ARG 9 HD2 ARG 9 40.182 7.703 -13.194 85 HD3 ARG 9 HD1 ARG 9 40.854 6.837 -14.651 86 HE ARG 9 HE ARG 9 39.085 5.035 -13.259 87 HH11 ARG 9 HH11 ARG 9 38.947 8.085 -15.177 88 HH12 ARG 9 HH12 ARG 9 37.333 7.811 -15.744 89 HH21 ARG 9 HH21 ARG 9 36.916 4.708 -14.051 90 HH22 ARG 9 HH22 ARG 9 36.170 5.870 -15.095 91 H ASP 10 HN ASP 10 45.821 5.476 -13.201 92 HA ASP 10 HA ASP 10 44.991 2.679 -13.172 93 HB2 ASP 10 HB2 ASP 10 47.155 4.235 -14.696 94 HB3 ASP 10 HB1 ASP 10 47.228 2.436 -14.627 95 H PHE 11 HN PHE 11 47.469 4.771 -11.663 96 HA PHE 11 HA PHE 11 48.960 2.538 -10.793 97 HB2 PHE 11 HB2 PHE 11 50.662 4.002 -10.783 98 HB3 PHE 11 HB1 PHE 11 49.487 5.319 -11.083 99 HD1 PHE 11 HD1 PHE 11 51.033 3.355 -8.163 100 HD2 PHE 11 HD2 PHE 11 49.095 6.831 -9.614 101 HE1 PHE 11 HE1 PHE 11 51.110 4.380 -5.944 102 HE2 PHE 11 HE2 PHE 11 49.203 7.813 -7.461 103 HZ PHE 11 HZ PHE 11 50.151 6.628 -5.588 104 H ILE 12 HN ILE 12 46.708 4.675 -9.064 105 HA ILE 12 HA ILE 12 47.253 3.519 -6.559 106 HB ILE 12 HB ILE 12 44.969 5.062 -7.765 107 HG12 ILE 12 HG12 ILE 12 47.138 5.791 -5.733 108 HG13 ILE 12 HG11 ILE 12 47.198 6.008 -7.513 109 HG21 ILE 12 HG21 ILE 12 44.224 5.438 -5.220 110 HG22 ILE 12 HG22 ILE 12 45.202 3.975 -4.837 111 HG23 ILE 12 HG23 ILE 12 43.789 3.854 -5.948 112 HD11 ILE 12 HD11 ILE 12 45.290 7.532 -7.469 113 HD12 ILE 12 HD12 ILE 12 46.649 8.083 -6.385 114 HD13 ILE 12 HD13 ILE 12 45.167 7.347 -5.670 115 H LEU 13 HN LEU 13 45.110 2.687 -9.246 116 HA LEU 13 HA LEU 13 43.432 0.982 -7.667 117 HB2 LEU 13 HB2 LEU 13 43.842 1.619 -10.572 118 HB3 LEU 13 HB1 LEU 13 42.694 0.317 -10.104 119 HG LEU 13 HG LEU 13 41.732 2.595 -10.567 120 HD11 LEU 13 HD11 LEU 13 41.026 1.582 -7.759 121 HD12 LEU 13 HD12 LEU 13 40.462 0.843 -9.306 122 HD13 LEU 13 HD13 LEU 13 39.965 2.521 -8.875 123 HD21 LEU 13 HD21 LEU 13 43.523 4.015 -9.316 124 HD22 LEU 13 HD22 LEU 13 42.606 3.631 -7.806 125 HD23 LEU 13 HD23 LEU 13 41.797 4.517 -9.148 126 H GLN 14 HN GLN 14 46.511 0.497 -9.229 127 HA GLN 14 HA GLN 14 46.229 -2.402 -9.412 128 HB2 GLN 14 HB2 GLN 14 48.587 -0.483 -9.864 129 HB3 GLN 14 HB1 GLN 14 48.809 -2.274 -9.885 130 HG2 GLN 14 HG2 GLN 14 47.205 -2.491 -11.783 131 HG3 GLN 14 HG1 GLN 14 46.891 -0.717 -11.763 132 HE21 GLN 14 HE21 GLN 14 48.801 0.775 -12.274 133 HE22 GLN 14 HE22 GLN 14 50.089 0.186 -13.270 134 H ARG 15 HN ARG 15 46.774 -0.237 -6.783 135 HA ARG 15 HA ARG 15 48.502 -2.159 -5.365 136 HB2 ARG 15 HB2 ARG 15 47.883 0.785 -4.790 137 HB3 ARG 15 HB1 ARG 15 48.883 -0.283 -3.728 138 HG2 ARG 15 HG2 ARG 15 50.376 -0.731 -5.797 139 HG3 ARG 15 HG1 ARG 15 49.480 0.601 -6.615 140 HD2 ARG 15 HD2 ARG 15 50.166 2.183 -4.783 141 HD3 ARG 15 HD1 ARG 15 51.083 0.823 -3.993 142 HE ARG 15 HE ARG 15 51.909 1.124 -6.773 143 HH11 ARG 15 HH11 ARG 15 52.277 2.701 -3.550 144 HH12 ARG 15 HH12 ARG 15 53.811 3.411 -3.929 145 HH21 ARG 15 HH21 ARG 15 53.968 2.118 -7.235 146 HH22 ARG 15 HH22 ARG 15 54.777 3.077 -6.042 147 H LYS 16 HN LYS 16 45.509 -2.466 -5.918 148 HA LYS 16 HA LYS 16 44.382 -2.149 -3.228 149 HB2 LYS 16 HB2 LYS 16 43.076 -3.183 -5.833 150 HB3 LYS 16 HB1 LYS 16 42.215 -2.863 -4.287 151 HG2 LYS 16 HG2 LYS 16 43.677 -0.708 -5.941 152 HG3 LYS 16 HG1 LYS 16 41.942 -1.103 -6.115 153 HD2 LYS 16 HD2 LYS 16 41.560 -0.434 -3.714 154 HD3 LYS 16 HD1 LYS 16 43.303 -0.020 -3.549 155 HE2 LYS 16 HE2 LYS 16 43.062 1.733 -5.351 156 HE3 LYS 16 HE1 LYS 16 41.303 1.329 -5.497 157 HZ1 LYS 16 HZ1 LYS 16 42.736 2.795 -3.439 158 HZ2 LYS 16 HZ2 LYS 16 41.506 1.759 -2.891 159 HZ3 LYS 16 HZ3 LYS 16 41.154 2.971 -4.028 160 H LYS 17 HN LYS 17 46.087 -4.400 -5.214 161 HA LYS 17 HA LYS 17 46.523 -6.523 -5.193 162 HB2 LYS 17 HB2 LYS 17 45.897 -6.339 -2.179 163 HB3 LYS 17 HB1 LYS 17 46.716 -7.742 -2.952 164 HG2 LYS 17 HG2 LYS 17 48.732 -6.718 -2.839 165 HG3 LYS 17 HG1 LYS 17 48.136 -5.299 -3.760 166 HD2 LYS 17 HD2 LYS 17 47.303 -4.251 -1.664 167 HD3 LYS 17 HD1 LYS 17 47.805 -5.697 -0.711 168 HE2 LYS 17 HE2 LYS 17 50.231 -5.252 -1.391 169 HE3 LYS 17 HE1 LYS 17 49.678 -3.747 -2.238 170 HZ1 LYS 17 HZ1 LYS 17 50.252 -2.958 -0.221 171 HZ2 LYS 17 HZ2 LYS 17 49.817 -4.362 0.629 172 HZ3 LYS 17 HZ3 LYS 17 48.615 -3.292 0.086 Start of MODEL 17 1 H1 GLU 1 HT1 GLU 1 51.006 23.254 -20.030 2 H2 GLU 1 HT2 GLU 1 52.002 22.259 -19.080 3 H3 GLU 1 HT3 GLU 1 51.042 23.451 -18.344 4 HA GLU 1 HA GLU 1 49.470 21.998 -18.051 5 HB2 GLU 1 HB2 GLU 1 49.558 21.936 -21.141 6 HB3 GLU 1 HB1 GLU 1 48.343 20.967 -20.225 7 HG2 GLU 1 HG2 GLU 1 47.443 23.079 -19.154 8 HG3 GLU 1 HG1 GLU 1 48.645 24.058 -20.083 9 H MET 2 HN MET 2 49.857 20.115 -16.967 10 HA MET 2 HA MET 2 51.125 17.903 -18.455 11 HB2 MET 2 HB2 MET 2 51.677 18.752 -15.527 12 HB3 MET 2 HB1 MET 2 52.207 17.186 -16.240 13 HG2 MET 2 HG2 MET 2 53.610 18.413 -17.906 14 HG3 MET 2 HG1 MET 2 53.084 19.980 -17.206 15 HE1 MET 2 HE1 MET 2 56.866 19.695 -16.241 16 HE2 MET 2 HE2 MET 2 55.584 20.651 -17.060 17 HE3 MET 2 HE3 MET 2 56.062 19.046 -17.713 18 H ARG 3 HN ARG 3 50.467 15.754 -17.678 19 HA ARG 3 HA ARG 3 47.850 15.823 -16.296 20 HB2 ARG 3 HB2 ARG 3 48.916 13.827 -18.409 21 HB3 ARG 3 HB1 ARG 3 47.359 13.643 -17.517 22 HG2 ARG 3 HG2 ARG 3 46.527 15.788 -18.536 23 HG3 ARG 3 HG1 ARG 3 48.074 15.959 -19.439 24 HD2 ARG 3 HD2 ARG 3 47.591 13.773 -20.653 25 HD3 ARG 3 HD1 ARG 3 46.001 13.666 -19.770 26 HE ARG 3 HE ARG 3 46.170 16.254 -21.040 27 HH11 ARG 3 HH11 ARG 3 45.836 12.773 -21.944 28 HH12 ARG 3 HH12 ARG 3 45.003 13.105 -23.426 29 HH21 ARG 3 HH21 ARG 3 45.045 16.640 -23.054 30 HH22 ARG 3 HH22 ARG 3 44.552 15.319 -24.060 31 H LEU 4 HN LEU 4 47.506 14.280 -14.622 32 HA LEU 4 HA LEU 4 49.571 12.361 -14.012 33 HB2 LEU 4 HB2 LEU 4 49.778 14.968 -12.821 34 HB3 LEU 4 HB1 LEU 4 48.995 13.982 -11.550 35 HG LEU 4 HG LEU 4 51.525 12.926 -12.942 36 HD11 LEU 4 HD11 LEU 4 52.112 15.266 -12.310 37 HD12 LEU 4 HD12 LEU 4 52.993 14.073 -11.285 38 HD13 LEU 4 HD13 LEU 4 51.571 14.961 -10.615 39 HD21 LEU 4 HD21 LEU 4 50.426 12.584 -10.064 40 HD22 LEU 4 HD22 LEU 4 51.946 11.847 -10.700 41 HD23 LEU 4 HD23 LEU 4 50.357 11.365 -11.391 42 H SER 5 HN SER 5 46.451 13.028 -14.571 43 HA SER 5 HA SER 5 45.273 11.964 -12.155 44 HB2 SER 5 HB2 SER 5 44.019 12.751 -14.866 45 HB3 SER 5 HB1 SER 5 43.067 12.175 -13.435 46 HG SER 5 HG SER 5 44.870 14.196 -12.925 47 H LYS 6 HN LYS 6 46.048 10.750 -15.486 48 HA LYS 6 HA LYS 6 44.572 8.275 -15.058 49 HB2 LYS 6 HB2 LYS 6 46.515 9.157 -17.290 50 HB3 LYS 6 HB1 LYS 6 45.639 7.579 -17.271 51 HG2 LYS 6 HG2 LYS 6 43.439 8.815 -17.269 52 HG3 LYS 6 HG1 LYS 6 44.326 10.378 -17.336 53 HD2 LYS 6 HD2 LYS 6 45.354 9.700 -19.524 54 HD3 LYS 6 HD1 LYS 6 44.470 8.135 -19.452 55 HE2 LYS 6 HE2 LYS 6 42.266 9.367 -19.549 56 HE3 LYS 6 HE1 LYS 6 43.155 10.945 -19.612 57 HZ1 LYS 6 HZ1 LYS 6 43.105 10.661 -21.778 58 HZ2 LYS 6 HZ2 LYS 6 42.629 9.035 -21.678 59 HZ3 LYS 6 HZ3 LYS 6 44.275 9.444 -21.597 60 H PHE 7 HN PHE 7 47.692 9.547 -14.225 61 HA PHE 7 HA PHE 7 49.268 7.172 -14.323 62 HB2 PHE 7 HB2 PHE 7 49.460 9.954 -13.038 63 HB3 PHE 7 HB1 PHE 7 50.635 8.676 -12.521 64 HD1 PHE 7 HD1 PHE 7 49.375 10.553 -15.571 65 HD2 PHE 7 HD2 PHE 7 52.573 8.297 -13.838 66 HE1 PHE 7 HE1 PHE 7 50.823 11.131 -17.448 67 HE2 PHE 7 HE2 PHE 7 53.990 8.896 -15.732 68 HZ PHE 7 HZ PHE 7 53.124 10.309 -17.535 69 H PHE 8 HN PHE 8 47.172 8.855 -12.083 70 HA PHE 8 HA PHE 8 47.983 7.274 -9.815 71 HB2 PHE 8 HB2 PHE 8 46.932 9.929 -10.486 72 HB3 PHE 8 HB1 PHE 8 45.876 9.129 -9.268 73 HD1 PHE 8 HD1 PHE 8 49.578 8.904 -9.810 74 HD2 PHE 8 HD2 PHE 8 46.440 10.196 -7.191 75 HE1 PHE 8 HE1 PHE 8 51.226 9.735 -8.245 76 HE2 PHE 8 HE2 PHE 8 48.130 10.964 -5.579 77 HZ PHE 8 HZ PHE 8 50.525 10.743 -6.098 78 H ARG 9 HN ARG 9 45.635 7.319 -12.273 79 HA ARG 9 HA ARG 9 43.634 5.998 -10.735 80 HB2 ARG 9 HB2 ARG 9 43.297 7.482 -12.826 81 HB3 ARG 9 HB1 ARG 9 44.070 6.191 -13.798 82 HG2 ARG 9 HG2 ARG 9 42.221 4.622 -13.046 83 HG3 ARG 9 HG1 ARG 9 41.459 6.005 -12.198 84 HD2 ARG 9 HD2 ARG 9 40.312 5.873 -14.304 85 HD3 ARG 9 HD1 ARG 9 41.505 7.229 -14.504 86 HE ARG 9 HE ARG 9 42.721 4.730 -15.360 87 HH11 ARG 9 HH11 ARG 9 40.253 7.135 -16.441 88 HH12 ARG 9 HH12 ARG 9 40.464 6.783 -18.124 89 HH21 ARG 9 HH21 ARG 9 42.963 4.302 -17.640 90 HH22 ARG 9 HH22 ARG 9 42.015 5.160 -18.809 91 H ASP 10 HN ASP 10 46.401 5.133 -12.876 92 HA ASP 10 HA ASP 10 45.573 2.337 -12.659 93 HB2 ASP 10 HB2 ASP 10 47.889 3.745 -14.108 94 HB3 ASP 10 HB1 ASP 10 47.837 1.947 -13.976 95 H PHE 11 HN PHE 11 47.613 4.519 -10.810 96 HA PHE 11 HA PHE 11 49.067 2.286 -9.806 97 HB2 PHE 11 HB2 PHE 11 50.799 3.719 -9.599 98 HB3 PHE 11 HB1 PHE 11 49.708 5.051 -10.087 99 HD1 PHE 11 HD1 PHE 11 50.830 3.152 -6.938 100 HD2 PHE 11 HD2 PHE 11 49.123 6.598 -8.715 101 HE1 PHE 11 HE1 PHE 11 50.610 4.225 -4.752 102 HE2 PHE 11 HE2 PHE 11 48.935 7.632 -6.589 103 HZ PHE 11 HZ PHE 11 49.608 6.488 -4.579 104 H ILE 12 HN ILE 12 46.652 4.501 -8.466 105 HA ILE 12 HA ILE 12 46.836 3.434 -5.864 106 HB ILE 12 HB ILE 12 44.746 4.934 -7.430 107 HG12 ILE 12 HG12 ILE 12 46.632 5.779 -5.182 108 HG13 ILE 12 HG11 ILE 12 46.913 5.905 -6.951 109 HG21 ILE 12 HG21 ILE 12 43.348 3.793 -5.703 110 HG22 ILE 12 HG22 ILE 12 43.663 5.429 -5.039 111 HG23 ILE 12 HG23 ILE 12 44.607 4.020 -4.432 112 HD11 ILE 12 HD11 ILE 12 46.200 8.022 -5.960 113 HD12 ILE 12 HD12 ILE 12 44.618 7.293 -5.496 114 HD13 ILE 12 HD13 ILE 12 45.062 7.432 -7.251 115 H LEU 13 HN LEU 13 44.985 2.596 -8.755 116 HA LEU 13 HA LEU 13 43.010 1.077 -7.368 117 HB2 LEU 13 HB2 LEU 13 43.863 1.527 -10.214 118 HB3 LEU 13 HB1 LEU 13 42.588 0.313 -9.861 119 HG LEU 13 HG LEU 13 41.825 2.605 -10.582 120 HD11 LEU 13 HD11 LEU 13 39.835 2.715 -9.141 121 HD12 LEU 13 HD12 LEU 13 40.676 1.776 -7.850 122 HD13 LEU 13 HD13 LEU 13 40.288 0.993 -9.430 123 HD21 LEU 13 HD21 LEU 13 41.775 4.588 -9.226 124 HD22 LEU 13 HD22 LEU 13 43.485 4.016 -9.175 125 HD23 LEU 13 HD23 LEU 13 42.388 3.731 -7.764 126 H GLN 14 HN GLN 14 46.056 0.167 -9.074 127 HA GLN 14 HA GLN 14 45.402 -2.652 -8.927 128 HB2 GLN 14 HB2 GLN 14 48.037 -1.285 -9.751 129 HB3 GLN 14 HB1 GLN 14 47.674 -3.047 -9.930 130 HG2 GLN 14 HG2 GLN 14 45.640 -2.351 -11.405 131 HG3 GLN 14 HG1 GLN 14 46.321 -0.676 -11.386 132 HE21 GLN 14 HE21 GLN 14 48.311 -0.242 -12.637 133 HE22 GLN 14 HE22 GLN 14 49.000 -1.421 -13.699 134 H ARG 15 HN ARG 15 46.399 -0.609 -6.388 135 HA ARG 15 HA ARG 15 48.327 -2.513 -5.306 136 HB2 ARG 15 HB2 ARG 15 47.424 0.244 -4.416 137 HB3 ARG 15 HB1 ARG 15 48.365 -0.833 -3.315 138 HG2 ARG 15 HG2 ARG 15 50.155 -1.045 -5.085 139 HG3 ARG 15 HG1 ARG 15 49.233 0.082 -6.126 140 HD2 ARG 15 HD2 ARG 15 50.992 1.358 -5.039 141 HD3 ARG 15 HD1 ARG 15 49.432 1.835 -4.250 142 HE ARG 15 HE ARG 15 50.624 -0.357 -2.769 143 HH11 ARG 15 HH11 ARG 15 51.159 3.161 -3.385 144 HH12 ARG 15 HH12 ARG 15 51.933 3.438 -1.861 145 HH21 ARG 15 HH21 ARG 15 51.669 0.083 -0.728 146 HH22 ARG 15 HH22 ARG 15 52.223 1.677 -0.343 147 H LYS 16 HN LYS 16 44.967 -2.322 -5.416 148 HA LYS 16 HA LYS 16 44.723 -3.617 -2.778 149 HB2 LYS 16 HB2 LYS 16 42.559 -2.059 -4.341 150 HB3 LYS 16 HB1 LYS 16 42.310 -2.894 -2.766 151 HG2 LYS 16 HG2 LYS 16 44.256 -0.521 -3.193 152 HG3 LYS 16 HG1 LYS 16 42.557 -0.356 -2.651 153 HD2 LYS 16 HD2 LYS 16 43.087 -1.764 -0.609 154 HD3 LYS 16 HD1 LYS 16 44.802 -1.871 -1.139 155 HE2 LYS 16 HE2 LYS 16 45.027 0.636 -0.957 156 HE3 LYS 16 HE1 LYS 16 43.300 0.746 -0.416 157 HZ1 LYS 16 HZ1 LYS 16 45.622 -0.462 0.970 158 HZ2 LYS 16 HZ2 LYS 16 44.029 -0.881 1.385 159 HZ3 LYS 16 HZ3 LYS 16 44.543 0.733 1.508 160 H LYS 17 HN LYS 17 44.976 -4.152 -6.112 161 HA LYS 17 HA LYS 17 42.961 -6.262 -6.110 162 HB2 LYS 17 HB2 LYS 17 44.737 -5.022 -8.293 163 HB3 LYS 17 HB1 LYS 17 43.710 -6.477 -8.582 164 HG2 LYS 17 HG2 LYS 17 41.659 -5.190 -8.037 165 HG3 LYS 17 HG1 LYS 17 42.635 -3.736 -7.635 166 HD2 LYS 17 HD2 LYS 17 43.466 -3.623 -9.974 167 HD3 LYS 17 HD1 LYS 17 42.526 -5.098 -10.405 168 HE2 LYS 17 HE2 LYS 17 40.369 -3.864 -9.876 169 HE3 LYS 17 HE1 LYS 17 41.331 -2.383 -9.473 170 HZ1 LYS 17 HZ1 LYS 17 40.567 -3.461 -12.016 171 HZ2 LYS 17 HZ2 LYS 17 42.227 -3.118 -11.936 172 HZ3 LYS 17 HZ3 LYS 17 41.093 -1.903 -11.592 Start of MODEL 18 1 H1 GLU 1 HT1 GLU 1 49.891 22.511 -19.049 2 H2 GLU 1 HT2 GLU 1 50.167 21.432 -17.767 3 H3 GLU 1 HT3 GLU 1 48.971 21.088 -18.923 4 HA GLU 1 HA GLU 1 50.804 21.136 -20.616 5 HB2 GLU 1 HB2 GLU 1 52.403 20.963 -17.978 6 HB3 GLU 1 HB1 GLU 1 53.071 20.298 -19.515 7 HG2 GLU 1 HG2 GLU 1 52.907 22.581 -20.595 8 HG3 GLU 1 HG1 GLU 1 52.243 23.260 -19.056 9 H MET 2 HN MET 2 51.082 19.137 -17.548 10 HA MET 2 HA MET 2 50.059 16.830 -19.075 11 HB2 MET 2 HB2 MET 2 52.442 16.835 -17.094 12 HB3 MET 2 HB1 MET 2 51.642 15.344 -17.712 13 HG2 MET 2 HG2 MET 2 52.309 15.949 -20.044 14 HG3 MET 2 HG1 MET 2 53.100 17.441 -19.440 15 HE1 MET 2 HE1 MET 2 55.233 16.800 -20.729 16 HE2 MET 2 HE2 MET 2 54.432 15.299 -21.310 17 HE3 MET 2 HE3 MET 2 56.085 15.221 -20.609 18 H ARG 3 HN ARG 3 48.960 15.223 -17.711 19 HA ARG 3 HA ARG 3 47.926 16.426 -15.214 20 HB2 ARG 3 HB2 ARG 3 46.635 14.363 -17.126 21 HB3 ARG 3 HB1 ARG 3 45.928 14.876 -15.548 22 HG2 ARG 3 HG2 ARG 3 45.753 17.234 -16.389 23 HG3 ARG 3 HG1 ARG 3 46.454 16.728 -17.968 24 HD2 ARG 3 HD2 ARG 3 44.482 15.169 -18.336 25 HD3 ARG 3 HD1 ARG 3 43.766 15.736 -16.760 26 HE ARG 3 HE ARG 3 44.357 18.053 -18.373 27 HH11 ARG 3 HH11 ARG 3 42.106 15.230 -18.360 28 HH12 ARG 3 HH12 ARG 3 40.860 16.056 -19.235 29 HH21 ARG 3 HH21 ARG 3 42.642 19.116 -19.554 30 HH22 ARG 3 HH22 ARG 3 41.169 18.281 -19.919 31 H LEU 4 HN LEU 4 47.970 15.177 -13.315 32 HA LEU 4 HA LEU 4 49.417 12.620 -13.538 33 HB2 LEU 4 HB2 LEU 4 49.368 14.687 -11.252 34 HB3 LEU 4 HB1 LEU 4 50.114 13.057 -11.098 35 HG LEU 4 HG LEU 4 51.013 15.174 -13.163 36 HD11 LEU 4 HD11 LEU 4 51.392 16.023 -10.847 37 HD12 LEU 4 HD12 LEU 4 52.953 15.640 -11.665 38 HD13 LEU 4 HD13 LEU 4 52.285 14.512 -10.423 39 HD21 LEU 4 HD21 LEU 4 51.780 13.057 -14.009 40 HD22 LEU 4 HD22 LEU 4 52.153 12.414 -12.365 41 HD23 LEU 4 HD23 LEU 4 53.200 13.687 -13.097 42 H SER 5 HN SER 5 46.337 13.596 -13.505 43 HA SER 5 HA SER 5 45.409 12.134 -11.173 44 HB2 SER 5 HB2 SER 5 43.864 13.463 -13.504 45 HB3 SER 5 HB1 SER 5 43.079 12.675 -12.072 46 HG SER 5 HG SER 5 45.050 14.649 -11.721 47 H LYS 6 HN LYS 6 46.170 11.528 -14.550 48 HA LYS 6 HA LYS 6 44.512 9.139 -14.724 49 HB2 LYS 6 HB2 LYS 6 46.556 10.380 -16.671 50 HB3 LYS 6 HB1 LYS 6 45.555 8.918 -17.023 51 HG2 LYS 6 HG2 LYS 6 43.460 10.290 -16.723 52 HG3 LYS 6 HG1 LYS 6 44.463 11.749 -16.405 53 HD2 LYS 6 HD2 LYS 6 45.464 11.555 -18.697 54 HD3 LYS 6 HD1 LYS 6 44.449 10.102 -19.010 55 HE2 LYS 6 HE2 LYS 6 42.359 11.501 -18.756 56 HE3 LYS 6 HE1 LYS 6 43.381 12.962 -18.429 57 HZ1 LYS 6 HZ1 LYS 6 42.595 12.743 -20.727 58 HZ2 LYS 6 HZ2 LYS 6 43.513 11.326 -20.911 59 HZ3 LYS 6 HZ3 LYS 6 44.287 12.805 -20.602 60 H PHE 7 HN PHE 7 47.656 10.116 -13.606 61 HA PHE 7 HA PHE 7 49.101 7.675 -14.036 62 HB2 PHE 7 HB2 PHE 7 49.481 10.273 -12.481 63 HB3 PHE 7 HB1 PHE 7 50.449 8.855 -11.938 64 HD1 PHE 7 HD1 PHE 7 49.670 10.880 -15.073 65 HD2 PHE 7 HD2 PHE 7 52.525 8.493 -12.954 66 HE1 PHE 7 HE1 PHE 7 51.370 11.407 -16.734 67 HE2 PHE 7 HE2 PHE 7 54.198 9.044 -14.639 68 HZ PHE 7 HZ PHE 7 53.630 10.496 -16.524 69 H PHE 8 HN PHE 8 46.959 9.136 -11.737 70 HA PHE 8 HA PHE 8 47.624 7.329 -9.601 71 HB2 PHE 8 HB2 PHE 8 46.609 10.045 -10.040 72 HB3 PHE 8 HB1 PHE 8 45.468 9.116 -8.998 73 HD1 PHE 8 HD1 PHE 8 49.202 9.023 -9.349 74 HD2 PHE 8 HD2 PHE 8 45.885 9.811 -6.751 75 HE1 PHE 8 HE1 PHE 8 50.735 9.621 -7.583 76 HE2 PHE 8 HE2 PHE 8 47.463 10.356 -4.945 77 HZ PHE 8 HZ PHE 8 49.888 10.268 -5.352 78 H ARG 9 HN ARG 9 45.522 7.586 -12.234 79 HA ARG 9 HA ARG 9 43.458 6.025 -10.988 80 HB2 ARG 9 HB2 ARG 9 42.981 7.791 -12.777 81 HB3 ARG 9 HB1 ARG 9 44.060 6.928 -13.905 82 HG2 ARG 9 HG2 ARG 9 41.799 6.503 -14.566 83 HG3 ARG 9 HG1 ARG 9 42.468 4.979 -13.904 84 HD2 ARG 9 HD2 ARG 9 41.233 5.339 -11.754 85 HD3 ARG 9 HD1 ARG 9 40.595 6.924 -12.379 86 HE ARG 9 HE ARG 9 39.866 5.017 -14.330 87 HH11 ARG 9 HH11 ARG 9 39.252 5.418 -10.794 88 HH12 ARG 9 HH12 ARG 9 37.718 4.616 -10.842 89 HH21 ARG 9 HH21 ARG 9 37.798 3.944 -14.330 90 HH22 ARG 9 HH22 ARG 9 36.888 3.773 -12.866 91 H ASP 10 HN ASP 10 46.484 5.669 -12.837 92 HA ASP 10 HA ASP 10 45.813 2.875 -13.345 93 HB2 ASP 10 HB2 ASP 10 48.388 4.466 -13.966 94 HB3 ASP 10 HB1 ASP 10 48.098 2.759 -14.470 95 H PHE 11 HN PHE 11 47.677 4.784 -10.996 96 HA PHE 11 HA PHE 11 49.048 2.452 -10.134 97 HB2 PHE 11 HB2 PHE 11 50.699 3.879 -9.594 98 HB3 PHE 11 HB1 PHE 11 49.613 5.239 -10.016 99 HD1 PHE 11 HD1 PHE 11 50.624 3.039 -7.054 100 HD2 PHE 11 HD2 PHE 11 48.749 6.543 -8.523 101 HE1 PHE 11 HE1 PHE 11 50.187 3.814 -4.775 102 HE2 PHE 11 HE2 PHE 11 48.352 7.282 -6.306 103 HZ PHE 11 HZ PHE 11 48.996 5.952 -4.407 104 H ILE 12 HN ILE 12 46.416 4.387 -8.742 105 HA ILE 12 HA ILE 12 46.439 2.977 -6.303 106 HB ILE 12 HB ILE 12 44.415 4.610 -7.815 107 HG12 ILE 12 HG12 ILE 12 46.120 5.122 -5.327 108 HG13 ILE 12 HG11 ILE 12 46.472 5.576 -7.027 109 HG21 ILE 12 HG21 ILE 12 43.106 4.694 -5.491 110 HG22 ILE 12 HG22 ILE 12 44.058 3.242 -5.016 111 HG23 ILE 12 HG23 ILE 12 42.933 3.166 -6.421 112 HD11 ILE 12 HD11 ILE 12 44.100 6.618 -5.422 113 HD12 ILE 12 HD12 ILE 12 44.543 7.048 -7.125 114 HD13 ILE 12 HD13 ILE 12 45.659 7.467 -5.744 115 H LEU 13 HN LEU 13 44.953 2.439 -9.462 116 HA LEU 13 HA LEU 13 43.007 0.579 -8.508 117 HB2 LEU 13 HB2 LEU 13 44.112 1.494 -11.151 118 HB3 LEU 13 HB1 LEU 13 42.925 0.142 -11.111 119 HG LEU 13 HG LEU 13 42.051 2.485 -11.570 120 HD11 LEU 13 HD11 LEU 13 40.676 1.057 -9.231 121 HD12 LEU 13 HD12 LEU 13 40.533 0.618 -10.972 122 HD13 LEU 13 HD13 LEU 13 39.905 2.203 -10.388 123 HD21 LEU 13 HD21 LEU 13 43.371 3.776 -9.779 124 HD22 LEU 13 HD22 LEU 13 42.214 3.119 -8.550 125 HD23 LEU 13 HD23 LEU 13 41.611 4.166 -9.876 126 H GLN 14 HN GLN 14 46.363 0.255 -9.583 127 HA GLN 14 HA GLN 14 46.205 -2.625 -9.930 128 HB2 GLN 14 HB2 GLN 14 48.569 -0.657 -9.836 129 HB3 GLN 14 HB1 GLN 14 48.789 -2.437 -10.050 130 HG2 GLN 14 HG2 GLN 14 47.545 -2.413 -12.179 131 HG3 GLN 14 HG1 GLN 14 47.085 -0.682 -11.945 132 HE21 GLN 14 HE21 GLN 14 48.205 -0.082 -14.005 133 HE22 GLN 14 HE22 GLN 14 49.930 0.013 -14.072 134 H ARG 15 HN ARG 15 46.368 -0.574 -7.129 135 HA ARG 15 HA ARG 15 47.835 -2.600 -5.577 136 HB2 ARG 15 HB2 ARG 15 47.252 0.347 -5.010 137 HB3 ARG 15 HB1 ARG 15 47.953 -0.788 -3.788 138 HG2 ARG 15 HG2 ARG 15 49.800 -1.333 -5.463 139 HG3 ARG 15 HG1 ARG 15 49.165 -0.013 -6.512 140 HD2 ARG 15 HD2 ARG 15 49.517 1.615 -4.592 141 HD3 ARG 15 HD1 ARG 15 50.268 0.252 -3.649 142 HE ARG 15 HE ARG 15 51.548 0.457 -6.247 143 HH11 ARG 15 HH11 ARG 15 51.415 2.145 -3.062 144 HH12 ARG 15 HH12 ARG 15 52.965 2.894 -3.251 145 HH21 ARG 15 HH21 ARG 15 53.624 1.497 -6.451 146 HH22 ARG 15 HH22 ARG 15 54.228 2.522 -5.194 147 H LYS 16 HN LYS 16 45.039 -2.957 -6.549 148 HA LYS 16 HA LYS 16 43.556 -2.844 -4.007 149 HB2 LYS 16 HB2 LYS 16 42.581 -3.217 -6.895 150 HB3 LYS 16 HB1 LYS 16 41.535 -3.331 -5.426 151 HG2 LYS 16 HG2 LYS 16 42.523 -0.896 -4.889 152 HG3 LYS 16 HG1 LYS 16 42.919 -0.890 -6.642 153 HD2 LYS 16 HD2 LYS 16 40.527 -1.343 -7.191 154 HD3 LYS 16 HD1 LYS 16 40.147 -1.403 -5.432 155 HE2 LYS 16 HE2 LYS 16 40.815 1.023 -5.201 156 HE3 LYS 16 HE1 LYS 16 41.197 1.083 -6.971 157 HZ1 LYS 16 HZ1 LYS 16 38.864 0.441 -7.368 158 HZ2 LYS 16 HZ2 LYS 16 39.040 1.940 -6.591 159 HZ3 LYS 16 HZ3 LYS 16 38.552 0.576 -5.705 160 H LYS 17 HN LYS 17 45.328 -4.527 -3.541 161 HA LYS 17 HA LYS 17 45.209 -7.034 -4.803 162 HB2 LYS 17 HB2 LYS 17 46.184 -6.266 -1.972 163 HB3 LYS 17 HB1 LYS 17 46.554 -7.822 -2.805 164 HG2 LYS 17 HG2 LYS 17 47.807 -6.601 -4.585 165 HG3 LYS 17 HG1 LYS 17 47.404 -5.024 -3.821 166 HD2 LYS 17 HD2 LYS 17 48.639 -5.712 -1.748 167 HD3 LYS 17 HD1 LYS 17 49.054 -7.283 -2.509 168 HE2 LYS 17 HE2 LYS 17 51.018 -5.837 -2.713 169 HE3 LYS 17 HE1 LYS 17 50.291 -5.946 -4.365 170 HZ1 LYS 17 HZ1 LYS 17 49.996 -3.715 -2.412 171 HZ2 LYS 17 HZ2 LYS 17 49.190 -3.815 -3.903 172 HZ3 LYS 17 HZ3 LYS 17 50.884 -3.712 -3.859 Start of MODEL 19 1 H1 GLU 1 HT1 GLU 1 51.337 23.513 -17.737 2 H2 GLU 1 HT2 GLU 1 51.912 22.772 -16.320 3 H3 GLU 1 HT3 GLU 1 50.740 23.998 -16.222 4 HA GLU 1 HA GLU 1 49.447 22.193 -15.951 5 HB2 GLU 1 HB2 GLU 1 49.660 22.704 -18.992 6 HB3 GLU 1 HB1 GLU 1 48.443 21.552 -18.323 7 HG2 GLU 1 HG2 GLU 1 47.424 23.407 -16.936 8 HG3 GLU 1 HG1 GLU 1 48.635 24.572 -17.601 9 H MET 2 HN MET 2 49.661 20.081 -15.339 10 HA MET 2 HA MET 2 51.251 18.294 -17.073 11 HB2 MET 2 HB2 MET 2 51.244 18.426 -13.978 12 HB3 MET 2 HB1 MET 2 51.965 17.075 -14.927 13 HG2 MET 2 HG2 MET 2 53.511 18.772 -16.042 14 HG3 MET 2 HG1 MET 2 52.864 20.025 -14.936 15 HE1 MET 2 HE1 MET 2 54.245 19.321 -11.479 16 HE2 MET 2 HE2 MET 2 52.601 18.874 -12.048 17 HE3 MET 2 HE3 MET 2 53.365 20.398 -12.620 18 H ARG 3 HN ARG 3 50.463 16.105 -17.169 19 HA ARG 3 HA ARG 3 47.763 15.733 -16.014 20 HB2 ARG 3 HB2 ARG 3 48.838 14.782 -18.762 21 HB3 ARG 3 HB1 ARG 3 47.255 14.284 -18.056 22 HG2 ARG 3 HG2 ARG 3 46.425 16.617 -18.146 23 HG3 ARG 3 HG1 ARG 3 48.024 17.211 -18.696 24 HD2 ARG 3 HD2 ARG 3 46.551 17.107 -20.659 25 HD3 ARG 3 HD1 ARG 3 47.752 15.752 -20.822 26 HE ARG 3 HE ARG 3 45.398 14.758 -19.455 27 HH11 ARG 3 HH11 ARG 3 46.401 15.914 -22.726 28 HH12 ARG 3 HH12 ARG 3 45.247 14.934 -23.568 29 HH21 ARG 3 HH21 ARG 3 43.861 13.456 -20.647 30 HH22 ARG 3 HH22 ARG 3 43.793 13.528 -22.376 31 H LEU 4 HN LEU 4 48.182 14.409 -14.266 32 HA LEU 4 HA LEU 4 49.586 11.893 -14.828 33 HB2 LEU 4 HB2 LEU 4 50.025 13.739 -12.386 34 HB3 LEU 4 HB1 LEU 4 50.527 12.013 -12.396 35 HG LEU 4 HG LEU 4 51.588 14.106 -14.400 36 HD11 LEU 4 HD11 LEU 4 52.916 13.145 -11.774 37 HD12 LEU 4 HD12 LEU 4 52.217 14.782 -12.077 38 HD13 LEU 4 HD13 LEU 4 53.660 14.233 -13.009 39 HD21 LEU 4 HD21 LEU 4 53.525 12.380 -14.624 40 HD22 LEU 4 HD22 LEU 4 51.949 11.883 -15.333 41 HD23 LEU 4 HD23 LEU 4 52.470 11.209 -13.742 42 H SER 5 HN SER 5 46.686 12.844 -14.725 43 HA SER 5 HA SER 5 45.712 11.771 -12.225 44 HB2 SER 5 HB2 SER 5 44.220 12.833 -14.714 45 HB3 SER 5 HB1 SER 5 43.399 12.275 -13.197 46 HG SER 5 HG SER 5 45.446 14.055 -12.794 47 H LYS 6 HN LYS 6 46.050 10.673 -15.646 48 HA LYS 6 HA LYS 6 44.357 8.339 -15.210 49 HB2 LYS 6 HB2 LYS 6 46.183 9.146 -17.564 50 HB3 LYS 6 HB1 LYS 6 45.150 7.668 -17.539 51 HG2 LYS 6 HG2 LYS 6 43.102 9.120 -17.282 52 HG3 LYS 6 HG1 LYS 6 44.143 10.586 -17.360 53 HD2 LYS 6 HD2 LYS 6 44.905 9.920 -19.658 54 HD3 LYS 6 HD1 LYS 6 43.868 8.452 -19.574 55 HE2 LYS 6 HE2 LYS 6 41.809 9.909 -19.423 56 HE3 LYS 6 HE1 LYS 6 42.853 11.388 -19.500 57 HZ1 LYS 6 HZ1 LYS 6 43.665 10.534 -21.661 58 HZ2 LYS 6 HZ2 LYS 6 42.012 10.920 -21.638 59 HZ3 LYS 6 HZ3 LYS 6 42.505 9.296 -21.586 60 H PHE 7 HN PHE 7 47.649 9.263 -14.610 61 HA PHE 7 HA PHE 7 48.959 6.755 -14.963 62 HB2 PHE 7 HB2 PHE 7 49.564 9.444 -13.627 63 HB3 PHE 7 HB1 PHE 7 50.617 8.032 -13.211 64 HD1 PHE 7 HD1 PHE 7 49.335 10.026 -16.194 65 HD2 PHE 7 HD2 PHE 7 52.447 7.543 -14.617 66 HE1 PHE 7 HE1 PHE 7 50.708 10.471 -18.157 67 HE2 PHE 7 HE2 PHE 7 53.790 8.013 -16.599 68 HZ PHE 7 HZ PHE 7 52.930 9.471 -18.366 69 H PHE 8 HN PHE 8 47.264 8.510 -12.451 70 HA PHE 8 HA PHE 8 48.116 6.712 -10.366 71 HB2 PHE 8 HB2 PHE 8 47.320 9.502 -10.769 72 HB3 PHE 8 HB1 PHE 8 46.281 8.740 -9.509 73 HD1 PHE 8 HD1 PHE 8 49.875 8.195 -10.432 74 HD2 PHE 8 HD2 PHE 8 47.139 9.509 -7.406 75 HE1 PHE 8 HE1 PHE 8 51.735 8.709 -8.976 76 HE2 PHE 8 HE2 PHE 8 49.041 9.959 -5.913 77 HZ PHE 8 HZ PHE 8 51.342 9.567 -6.689 78 H ARG 9 HN ARG 9 45.583 7.115 -12.579 79 HA ARG 9 HA ARG 9 43.616 5.866 -10.906 80 HB2 ARG 9 HB2 ARG 9 43.164 7.595 -12.745 81 HB3 ARG 9 HB1 ARG 9 43.758 6.415 -13.953 82 HG2 ARG 9 HG2 ARG 9 41.889 4.882 -13.360 83 HG3 ARG 9 HG1 ARG 9 41.321 6.046 -12.121 84 HD2 ARG 9 HD2 ARG 9 39.928 6.442 -14.052 85 HD3 ARG 9 HD1 ARG 9 41.156 7.782 -14.055 86 HE ARG 9 HE ARG 9 42.158 5.557 -15.629 87 HH11 ARG 9 HH11 ARG 9 39.683 8.180 -15.794 88 HH12 ARG 9 HH12 ARG 9 39.683 8.243 -17.525 89 HH21 ARG 9 HH21 ARG 9 42.114 5.689 -17.958 90 HH22 ARG 9 HH22 ARG 9 41.073 6.816 -18.762 91 H ASP 10 HN ASP 10 46.084 5.028 -13.352 92 HA ASP 10 HA ASP 10 45.027 2.310 -13.412 93 HB2 ASP 10 HB2 ASP 10 47.543 3.531 -14.728 94 HB3 ASP 10 HB1 ASP 10 47.011 1.825 -14.967 95 H PHE 11 HN PHE 11 47.539 4.106 -11.634 96 HA PHE 11 HA PHE 11 48.767 1.657 -10.897 97 HB2 PHE 11 HB2 PHE 11 50.652 2.878 -10.725 98 HB3 PHE 11 HB1 PHE 11 49.679 4.351 -11.019 99 HD1 PHE 11 HD1 PHE 11 50.882 2.109 -8.146 100 HD2 PHE 11 HD2 PHE 11 49.319 5.819 -9.479 101 HE1 PHE 11 HE1 PHE 11 50.960 3.006 -5.870 102 HE2 PHE 11 HE2 PHE 11 49.417 6.682 -7.272 103 HZ PHE 11 HZ PHE 11 50.175 5.322 -5.429 104 H ILE 12 HN ILE 12 46.715 3.960 -9.136 105 HA ILE 12 HA ILE 12 47.038 2.635 -6.673 106 HB ILE 12 HB ILE 12 44.950 4.440 -7.878 107 HG12 ILE 12 HG12 ILE 12 47.116 4.895 -5.768 108 HG13 ILE 12 HG11 ILE 12 47.228 5.190 -7.536 109 HG21 ILE 12 HG21 ILE 12 43.627 3.238 -6.129 110 HG22 ILE 12 HG22 ILE 12 44.135 4.775 -5.357 111 HG23 ILE 12 HG23 ILE 12 45.013 3.251 -4.974 112 HD11 ILE 12 HD11 ILE 12 46.814 7.247 -6.304 113 HD12 ILE 12 HD12 ILE 12 45.252 6.595 -5.680 114 HD13 ILE 12 HD13 ILE 12 45.465 6.868 -7.463 115 H LEU 13 HN LEU 13 44.867 2.210 -9.437 116 HA LEU 13 HA LEU 13 42.942 0.676 -7.996 117 HB2 LEU 13 HB2 LEU 13 43.550 1.340 -10.865 118 HB3 LEU 13 HB1 LEU 13 42.234 0.176 -10.489 119 HG LEU 13 HG LEU 13 41.562 2.576 -10.915 120 HD11 LEU 13 HD11 LEU 13 40.050 0.940 -9.744 121 HD12 LEU 13 HD12 LEU 13 39.735 2.654 -9.282 122 HD13 LEU 13 HD13 LEU 13 40.637 1.569 -8.157 123 HD21 LEU 13 HD21 LEU 13 43.455 3.735 -9.564 124 HD22 LEU 13 HD22 LEU 13 42.484 3.383 -8.079 125 HD23 LEU 13 HD23 LEU 13 41.792 4.414 -9.382 126 H GLN 14 HN GLN 14 45.737 -0.219 -10.108 127 HA GLN 14 HA GLN 14 45.042 -2.993 -10.158 128 HB2 GLN 14 HB2 GLN 14 47.687 -1.575 -10.815 129 HB3 GLN 14 HB1 GLN 14 47.446 -3.356 -11.002 130 HG2 GLN 14 HG2 GLN 14 45.502 -2.878 -12.598 131 HG3 GLN 14 HG1 GLN 14 45.894 -1.119 -12.483 132 HE21 GLN 14 HE21 GLN 14 47.985 -0.342 -13.431 133 HE22 GLN 14 HE22 GLN 14 48.856 -1.318 -14.565 134 H ARG 15 HN ARG 15 46.734 -1.041 -7.688 135 HA ARG 15 HA ARG 15 48.322 -3.091 -6.597 136 HB2 ARG 15 HB2 ARG 15 47.174 -0.508 -5.471 137 HB3 ARG 15 HB1 ARG 15 48.168 -1.610 -4.456 138 HG2 ARG 15 HG2 ARG 15 49.521 -1.112 -7.050 139 HG3 ARG 15 HG1 ARG 15 49.061 0.437 -6.275 140 HD2 ARG 15 HD2 ARG 15 51.329 -0.194 -5.558 141 HD3 ARG 15 HD1 ARG 15 50.203 -0.325 -4.146 142 HE ARG 15 HE ARG 15 50.567 -2.865 -5.631 143 HH11 ARG 15 HH11 ARG 15 51.920 -0.794 -2.991 144 HH12 ARG 15 HH12 ARG 15 52.644 -2.124 -2.150 145 HH21 ARG 15 HH21 ARG 15 51.553 -4.611 -4.440 146 HH22 ARG 15 HH22 ARG 15 52.432 -4.305 -2.979 147 H LYS 16 HN LYS 16 44.971 -2.062 -5.956 148 HA LYS 16 HA LYS 16 43.247 -2.866 -4.946 149 HB2 LYS 16 HB2 LYS 16 44.672 -5.574 -5.104 150 HB3 LYS 16 HB1 LYS 16 42.960 -5.368 -4.623 151 HG2 LYS 16 HG2 LYS 16 44.098 -4.559 -7.381 152 HG3 LYS 16 HG1 LYS 16 43.384 -6.163 -7.023 153 HD2 LYS 16 HD2 LYS 16 41.197 -5.001 -6.402 154 HD3 LYS 16 HD1 LYS 16 41.926 -3.430 -6.886 155 HE2 LYS 16 HE2 LYS 16 42.221 -4.270 -9.241 156 HE3 LYS 16 HE1 LYS 16 41.513 -5.869 -8.763 157 HZ1 LYS 16 HZ1 LYS 16 39.832 -3.704 -7.987 158 HZ2 LYS 16 HZ2 LYS 16 39.507 -5.043 -8.981 159 HZ3 LYS 16 HZ3 LYS 16 40.184 -3.634 -9.647 160 H LYS 17 HN LYS 17 44.642 -1.402 -3.396 161 HA LYS 17 HA LYS 17 45.804 -2.651 -1.192 162 HB2 LYS 17 HB2 LYS 17 44.675 0.193 -1.541 163 HB3 LYS 17 HB1 LYS 17 45.625 -0.332 -0.101 164 HG2 LYS 17 HG2 LYS 17 47.590 -0.840 -1.575 165 HG3 LYS 17 HG1 LYS 17 46.642 -0.333 -3.014 166 HD2 LYS 17 HD2 LYS 17 46.421 1.964 -2.093 167 HD3 LYS 17 HD1 LYS 17 47.342 1.486 -0.622 168 HE2 LYS 17 HE2 LYS 17 49.375 1.012 -2.061 169 HE3 LYS 17 HE1 LYS 17 48.438 1.512 -3.530 170 HZ1 LYS 17 HZ1 LYS 17 48.478 3.674 -2.905 171 HZ2 LYS 17 HZ2 LYS 17 49.959 3.163 -2.249 172 HZ3 LYS 17 HZ3 LYS 17 48.605 3.354 -1.242 Start of MODEL 20 1 H1 GLU 1 HT1 GLU 1 46.027 19.616 -17.752 2 H2 GLU 1 HT2 GLU 1 46.358 21.108 -18.494 3 H3 GLU 1 HT3 GLU 1 44.996 20.941 -17.494 4 HA GLU 1 HA GLU 1 47.159 22.057 -16.652 5 HB2 GLU 1 HB2 GLU 1 45.349 20.086 -15.108 6 HB3 GLU 1 HB1 GLU 1 46.624 21.036 -14.257 7 HG2 GLU 1 HG2 GLU 1 45.557 23.195 -15.027 8 HG3 GLU 1 HG1 GLU 1 44.270 22.257 -15.882 9 H MET 2 HN MET 2 46.816 18.481 -15.873 10 HA MET 2 HA MET 2 49.740 18.239 -16.184 11 HB2 MET 2 HB2 MET 2 48.006 17.009 -13.931 12 HB3 MET 2 HB1 MET 2 49.711 16.539 -14.267 13 HG2 MET 2 HG2 MET 2 50.458 18.870 -13.759 14 HG3 MET 2 HG1 MET 2 48.761 19.352 -13.433 15 HE1 MET 2 HE1 MET 2 50.427 19.499 -9.916 16 HE2 MET 2 HE2 MET 2 49.481 20.355 -11.182 17 HE3 MET 2 HE3 MET 2 51.180 19.865 -11.507 18 H ARG 3 HN ARG 3 50.445 16.109 -16.886 19 HA ARG 3 HA ARG 3 48.276 14.538 -18.151 20 HB2 ARG 3 HB2 ARG 3 51.235 14.896 -18.993 21 HB3 ARG 3 HB1 ARG 3 50.086 13.751 -19.780 22 HG2 ARG 3 HG2 ARG 3 48.629 15.689 -20.459 23 HG3 ARG 3 HG1 ARG 3 49.805 16.827 -19.706 24 HD2 ARG 3 HD2 ARG 3 51.604 16.039 -21.309 25 HD3 ARG 3 HD1 ARG 3 50.404 14.903 -22.077 26 HE ARG 3 HE ARG 3 49.280 17.563 -22.079 27 HH11 ARG 3 HH11 ARG 3 51.960 15.716 -23.641 28 HH12 ARG 3 HH12 ARG 3 51.953 16.673 -25.085 29 HH21 ARG 3 HH21 ARG 3 49.316 18.822 -24.054 30 HH22 ARG 3 HH22 ARG 3 50.439 18.451 -25.318 31 H LEU 4 HN LEU 4 49.648 14.495 -15.305 32 HA LEU 4 HA LEU 4 50.751 11.766 -15.433 33 HB2 LEU 4 HB2 LEU 4 51.028 13.950 -13.270 34 HB3 LEU 4 HB1 LEU 4 51.700 12.288 -13.114 35 HG LEU 4 HG LEU 4 52.524 14.289 -15.321 36 HD11 LEU 4 HD11 LEU 4 54.617 14.677 -14.019 37 HD12 LEU 4 HD12 LEU 4 54.005 13.620 -12.689 38 HD13 LEU 4 HD13 LEU 4 53.163 15.169 -13.072 39 HD21 LEU 4 HD21 LEU 4 53.101 12.128 -16.188 40 HD22 LEU 4 HD22 LEU 4 53.550 11.476 -14.566 41 HD23 LEU 4 HD23 LEU 4 54.626 12.667 -15.391 42 H SER 5 HN SER 5 47.749 12.862 -15.331 43 HA SER 5 HA SER 5 46.924 11.838 -12.756 44 HB2 SER 5 HB2 SER 5 44.592 12.473 -13.448 45 HB3 SER 5 HB1 SER 5 45.743 13.845 -13.649 46 HG SER 5 HG SER 5 45.459 12.164 -15.833 47 H LYS 6 HN LYS 6 47.429 10.473 -15.970 48 HA LYS 6 HA LYS 6 45.481 8.319 -15.573 49 HB2 LYS 6 HB2 LYS 6 47.628 8.776 -17.753 50 HB3 LYS 6 HB1 LYS 6 46.455 7.405 -17.740 51 HG2 LYS 6 HG2 LYS 6 44.546 9.049 -17.864 52 HG3 LYS 6 HG1 LYS 6 45.726 10.407 -17.911 53 HD2 LYS 6 HD2 LYS 6 46.700 9.482 -20.037 54 HD3 LYS 6 HD1 LYS 6 45.514 8.130 -19.987 55 HE2 LYS 6 HE2 LYS 6 43.615 9.779 -20.219 56 HE3 LYS 6 HE1 LYS 6 44.805 11.146 -20.251 57 HZ1 LYS 6 HZ1 LYS 6 44.185 9.129 -22.281 58 HZ2 LYS 6 HZ2 LYS 6 45.791 9.671 -22.181 59 HZ3 LYS 6 HZ3 LYS 6 44.533 10.783 -22.436 60 H PHE 7 HN PHE 7 48.790 9.109 -14.766 61 HA PHE 7 HA PHE 7 49.912 6.475 -14.704 62 HB2 PHE 7 HB2 PHE 7 50.694 9.261 -13.669 63 HB3 PHE 7 HB1 PHE 7 51.613 7.822 -13.079 64 HD1 PHE 7 HD1 PHE 7 50.607 9.643 -16.258 65 HD2 PHE 7 HD2 PHE 7 53.406 7.000 -14.390 66 HE1 PHE 7 HE1 PHE 7 52.067 9.788 -18.206 67 HE2 PHE 7 HE2 PHE 7 54.839 7.165 -16.359 68 HZ PHE 7 HZ PHE 7 54.178 8.553 -18.264 69 H PHE 8 HN PHE 8 48.201 8.686 -12.608 70 HA PHE 8 HA PHE 8 48.810 7.196 -10.219 71 HB2 PHE 8 HB2 PHE 8 48.200 9.927 -11.092 72 HB3 PHE 8 HB1 PHE 8 47.042 9.414 -9.807 73 HD1 PHE 8 HD1 PHE 8 50.644 8.537 -10.368 74 HD2 PHE 8 HD2 PHE 8 47.815 10.485 -7.802 75 HE1 PHE 8 HE1 PHE 8 52.441 9.192 -8.888 76 HE2 PHE 8 HE2 PHE 8 49.646 11.078 -6.270 77 HZ PHE 8 HZ PHE 8 51.961 10.441 -6.804 78 H ARG 9 HN ARG 9 46.421 7.395 -12.648 79 HA ARG 9 HA ARG 9 44.323 6.475 -10.937 80 HB2 ARG 9 HB2 ARG 9 44.001 7.838 -13.117 81 HB3 ARG 9 HB1 ARG 9 44.587 6.423 -14.041 82 HG2 ARG 9 HG2 ARG 9 42.357 5.830 -12.137 83 HG3 ARG 9 HG1 ARG 9 41.931 7.024 -13.407 84 HD2 ARG 9 HD2 ARG 9 43.219 4.287 -14.059 85 HD3 ARG 9 HD1 ARG 9 41.422 4.505 -13.897 86 HE ARG 9 HE ARG 9 42.382 6.521 -15.713 87 HH11 ARG 9 HH11 ARG 9 42.070 2.926 -15.588 88 HH12 ARG 9 HH12 ARG 9 41.936 2.749 -17.306 89 HH21 ARG 9 HH21 ARG 9 42.199 6.220 -18.027 90 HH22 ARG 9 HH22 ARG 9 42.010 4.635 -18.700 91 H ASP 10 HN ASP 10 46.955 5.115 -12.994 92 HA ASP 10 HA ASP 10 45.653 2.524 -12.678 93 HB2 ASP 10 HB2 ASP 10 48.275 3.320 -14.105 94 HB3 ASP 10 HB1 ASP 10 47.645 1.632 -14.056 95 H PHE 11 HN PHE 11 48.052 4.431 -10.972 96 HA PHE 11 HA PHE 11 49.172 2.062 -9.852 97 HB2 PHE 11 HB2 PHE 11 51.110 3.214 -9.792 98 HB3 PHE 11 HB1 PHE 11 50.224 4.657 -10.370 99 HD1 PHE 11 HD1 PHE 11 51.223 2.880 -7.129 100 HD2 PHE 11 HD2 PHE 11 49.855 6.372 -9.108 101 HE1 PHE 11 HE1 PHE 11 51.264 4.132 -5.033 102 HE2 PHE 11 HE2 PHE 11 49.907 7.581 -7.066 103 HZ PHE 11 HZ PHE 11 50.550 6.514 -5.001 104 H ILE 12 HN ILE 12 47.141 4.698 -8.643 105 HA ILE 12 HA ILE 12 47.229 3.806 -5.963 106 HB ILE 12 HB ILE 12 45.374 5.515 -7.604 107 HG12 ILE 12 HG12 ILE 12 47.435 6.172 -5.447 108 HG13 ILE 12 HG11 ILE 12 47.677 6.142 -7.226 109 HG21 ILE 12 HG21 ILE 12 43.850 4.732 -5.781 110 HG22 ILE 12 HG22 ILE 12 44.434 6.341 -5.247 111 HG23 ILE 12 HG23 ILE 12 45.158 4.848 -4.544 112 HD11 ILE 12 HD11 ILE 12 47.368 8.403 -6.401 113 HD12 ILE 12 HD12 ILE 12 45.720 7.987 -5.792 114 HD13 ILE 12 HD13 ILE 12 46.064 7.918 -7.573 115 H LEU 13 HN LEU 13 45.232 3.035 -8.768 116 HA LEU 13 HA LEU 13 43.093 1.903 -7.245 117 HB2 LEU 13 HB2 LEU 13 43.938 2.036 -10.128 118 HB3 LEU 13 HB1 LEU 13 42.510 1.045 -9.669 119 HG LEU 13 HG LEU 13 42.067 3.376 -10.534 120 HD11 LEU 13 HD11 LEU 13 40.150 3.868 -9.075 121 HD12 LEU 13 HD12 LEU 13 40.882 2.913 -7.729 122 HD13 LEU 13 HD13 LEU 13 40.344 2.082 -9.239 123 HD21 LEU 13 HD21 LEU 13 43.946 4.624 -9.261 124 HD22 LEU 13 HD22 LEU 13 42.867 4.587 -7.809 125 HD23 LEU 13 HD23 LEU 13 42.331 5.429 -9.307 126 H GLN 14 HN GLN 14 46.020 0.542 -8.780 127 HA GLN 14 HA GLN 14 45.122 -2.186 -8.553 128 HB2 GLN 14 HB2 GLN 14 47.885 -1.003 -9.197 129 HB3 GLN 14 HB1 GLN 14 47.537 -2.776 -9.197 130 HG2 GLN 14 HG2 GLN 14 45.788 -2.443 -10.987 131 HG3 GLN 14 HG1 GLN 14 46.141 -0.669 -10.989 132 HE21 GLN 14 HE21 GLN 14 46.570 -1.362 -13.427 133 HE22 GLN 14 HE22 GLN 14 48.199 -1.793 -13.817 134 H ARG 15 HN ARG 15 45.922 -0.166 -5.968 135 HA ARG 15 HA ARG 15 47.819 -1.722 -4.569 136 HB2 ARG 15 HB2 ARG 15 45.747 0.279 -3.581 137 HB3 ARG 15 HB1 ARG 15 46.908 -0.554 -2.477 138 HG2 ARG 15 HG2 ARG 15 48.798 0.362 -4.006 139 HG3 ARG 15 HG1 ARG 15 47.533 1.381 -4.782 140 HD2 ARG 15 HD2 ARG 15 46.980 2.402 -2.535 141 HD3 ARG 15 HD1 ARG 15 48.268 1.363 -1.780 142 HE ARG 15 HE ARG 15 49.410 2.913 -3.963 143 HH11 ARG 15 HH11 ARG 15 48.175 3.307 -0.590 144 HH12 ARG 15 HH12 ARG 15 49.171 4.681 -0.244 145 HH21 ARG 15 HH21 ARG 15 50.734 4.786 -3.429 146 HH22 ARG 15 HH22 ARG 15 50.629 5.524 -1.866 147 H LYS 16 HN LYS 16 44.251 -1.892 -4.742 148 HA LYS 16 HA LYS 16 44.341 -4.216 -2.932 149 HB2 LYS 16 HB2 LYS 16 42.138 -2.120 -3.409 150 HB3 LYS 16 HB1 LYS 16 41.774 -3.716 -2.666 151 HG2 LYS 16 HG2 LYS 16 43.946 -1.885 -1.468 152 HG3 LYS 16 HG1 LYS 16 42.207 -1.597 -1.131 153 HD2 LYS 16 HD2 LYS 16 42.021 -3.991 -0.267 154 HD3 LYS 16 HD1 LYS 16 43.785 -4.196 -0.517 155 HE2 LYS 16 HE2 LYS 16 42.608 -1.986 1.318 156 HE3 LYS 16 HE1 LYS 16 43.019 -3.646 1.905 157 HZ1 LYS 16 HZ1 LYS 16 44.762 -1.957 2.223 158 HZ2 LYS 16 HZ2 LYS 16 44.943 -1.831 0.539 159 HZ3 LYS 16 HZ3 LYS 16 45.274 -3.301 1.321 160 H LYS 17 HN LYS 17 43.684 -3.002 -6.215 161 HA LYS 17 HA LYS 17 41.982 -5.278 -6.781 162 HB2 LYS 17 HB2 LYS 17 43.078 -3.005 -8.533 163 HB3 LYS 17 HB1 LYS 17 42.083 -4.354 -9.190 164 HG2 LYS 17 HG2 LYS 17 40.183 -3.712 -7.714 165 HG3 LYS 17 HG1 LYS 17 41.167 -2.394 -6.981 166 HD2 LYS 17 HD2 LYS 17 41.361 -1.280 -9.193 167 HD3 LYS 17 HD1 LYS 17 40.410 -2.598 -9.970 168 HE2 LYS 17 HE2 LYS 17 38.407 -1.978 -8.537 169 HE3 LYS 17 HE1 LYS 17 39.373 -0.641 -7.788 170 HZ1 LYS 17 HZ1 LYS 17 38.156 0.330 -9.474 171 HZ2 LYS 17 HZ2 LYS 17 38.437 -0.922 -10.585 172 HZ3 LYS 17 HZ3 LYS 17 39.695 0.137 -10.166
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