NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
652970 | 6urs | 30680 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ALA 1 H1 ALA 1 40.294 -12.467 -19.941 2 H2 ALA 1 H2 ALA 1 40.808 -13.830 -19.075 3 H3 ALA 1 H3 ALA 1 41.814 -13.145 -20.254 4 H SER 2 H SER 2 43.928 -13.087 -19.214 5 HG SER 2 HG SER 2 45.614 -15.913 -20.201 6 H MET 3 H MET 3 45.745 -12.040 -18.897 7 H GLY 4 H GLY 4 45.719 -10.549 -16.622 8 H LYS 5 H LYS 5 44.748 -9.015 -13.485 9 HZ1 LYS 5 HZ1 LYS 5 39.483 -14.030 -15.228 10 HZ2 LYS 5 HZ2 LYS 5 38.650 -13.813 -13.770 11 HZ3 LYS 5 HZ3 LYS 5 40.145 -14.601 -13.780 12 H SER 6 H SER 6 44.543 -9.204 -9.902 13 HG SER 6 HG SER 6 43.966 -10.543 -6.509 14 H LYS 7 H LYS 7 47.465 -8.285 -9.825 15 HZ1 LYS 7 HZ1 LYS 7 51.650 -7.326 -15.613 16 HZ2 LYS 7 HZ2 LYS 7 50.689 -6.062 -15.040 17 HZ3 LYS 7 HZ3 LYS 7 50.141 -7.026 -16.319 18 H GLU 8 H GLU 8 51.148 -9.920 -7.901 19 H ILE 9 H ILE 9 51.736 -10.521 -4.195 20 H SER 10 H SER 10 50.879 -8.872 -2.203 21 HG SER 10 HG SER 10 52.015 -6.087 -0.670 22 H GLN 11 H GLN 11 48.857 -7.617 -3.632 23 HE21 GLN 11 1HE2 GLN 11 47.090 -1.716 -5.112 24 HE22 GLN 11 2HE2 GLN 11 45.773 -2.813 -5.367 25 H ASP 12 H ASP 12 46.049 -8.107 -3.324 26 H LEU 13 H LEU 13 45.681 -7.612 -0.737 27 H ARG 14 H ARG 14 46.290 -5.091 -0.535 28 HE ARG 14 HE ARG 14 50.966 -2.862 -0.801 29 HH11 ARG 14 1HH1 ARG 14 50.302 -3.018 -4.351 30 HH12 ARG 14 2HH1 ARG 14 51.967 -3.120 -4.776 31 HH21 ARG 14 1HH2 ARG 14 53.221 -2.985 -1.468 32 HH22 ARG 14 2HH2 ARG 14 53.624 -3.072 -3.146 33 H LYS 15 H LYS 15 44.269 -3.955 -1.979 34 HZ1 LYS 15 HZ1 LYS 15 42.198 -4.173 -8.795 35 HZ2 LYS 15 HZ2 LYS 15 42.037 -5.493 -7.749 36 HZ3 LYS 15 HZ3 LYS 15 43.438 -5.320 -8.683 37 H ARG 16 H ARG 16 42.108 -4.490 -0.427 38 HE ARG 16 HE ARG 16 41.384 -8.167 2.250 39 HH11 ARG 16 1HH1 ARG 16 40.011 -9.219 -0.926 40 HH12 ARG 16 2HH1 ARG 16 41.342 -10.251 -1.291 41 HH21 ARG 16 1HH2 ARG 16 43.183 -9.538 1.652 42 HH22 ARG 16 2HH2 ARG 16 43.173 -10.394 0.154 43 H ILE 17 H ILE 17 42.644 -3.012 1.819 44 H VAL 18 H VAL 18 42.714 -0.456 0.907 45 H ASP 19 H ASP 19 40.106 -0.237 0.078 46 H LEU 20 H LEU 20 38.610 -0.267 2.314 47 H TYR 21 H TYR 21 39.593 1.857 3.490 48 HH TYR 21 HH TYR 21 44.660 8.004 6.265 49 H LYS 22 H LYS 22 38.795 4.045 1.908 50 HZ1 LYS 22 HZ1 LYS 22 41.856 6.803 -4.089 51 HZ2 LYS 22 HZ2 LYS 22 40.453 7.739 -3.947 52 HZ3 LYS 22 HZ3 LYS 22 40.333 6.060 -4.106 53 H SER 23 H SER 23 36.128 3.904 2.131 54 HG SER 23 HG SER 23 33.774 1.555 2.200 55 H GLY 24 H GLY 24 35.277 3.793 4.695 56 H SER 25 H SER 25 34.856 2.793 7.992 57 HG SER 25 HG SER 25 37.003 2.870 11.704 58 H SER 26 H SER 26 38.316 5.295 9.375 59 HG SER 26 HG SER 26 39.858 7.656 6.800 60 H LEU 27 H LEU 27 40.468 5.181 10.728 61 H GLY 28 H GLY 28 39.566 3.351 11.773 62 H ALA 29 H ALA 29 39.377 1.149 10.472 63 H ILE 30 H ILE 30 41.927 0.529 10.100 64 H SER 31 H SER 31 43.053 0.256 12.486 65 HG SER 31 HG SER 31 43.657 1.859 14.086 66 H LYS 32 H LYS 32 41.652 -1.960 13.424 67 HZ1 LYS 32 HZ1 LYS 32 35.293 -1.263 16.364 68 HZ2 LYS 32 HZ2 LYS 32 35.448 -2.945 16.462 69 HZ3 LYS 32 HZ3 LYS 32 35.488 -2.180 14.953 70 H ARG 33 H ARG 33 42.038 -4.084 11.763 71 HE ARG 33 HE ARG 33 42.610 -8.801 7.223 72 HH11 ARG 33 1HH1 ARG 33 39.906 -6.795 5.924 73 HH12 ARG 33 2HH1 ARG 33 39.714 -7.751 4.503 74 HH21 ARG 33 1HH2 ARG 33 42.286 -10.071 5.292 75 HH22 ARG 33 2HH2 ARG 33 41.088 -9.630 4.135 76 H LEU 34 H LEU 34 44.416 -4.201 10.611 77 H ALA 35 H ALA 35 45.594 -3.605 12.585 78 H VAL 36 H VAL 36 49.387 -3.534 12.859 79 H ARG 38 H ARG 38 52.234 0.968 10.730 80 HE ARG 38 HE ARG 38 55.191 -3.816 11.810 81 HH11 ARG 38 1HH1 ARG 38 57.851 -1.515 11.011 82 HH12 ARG 38 2HH1 ARG 38 58.615 -1.676 12.548 83 HH21 ARG 38 1HH2 ARG 38 56.259 -3.974 13.885 84 HH22 ARG 38 2HH2 ARG 38 57.726 -3.118 14.180 85 H SER 39 H SER 39 55.908 1.461 8.007 86 HG SER 39 HG SER 39 57.696 1.140 6.758 87 H SER 40 H SER 40 54.857 0.180 5.955 88 HG SER 40 HG SER 40 55.158 -2.927 4.485 89 H VAL 41 H VAL 41 51.919 0.330 5.789 90 H GLN 42 H GLN 42 51.687 2.773 6.072 91 HE21 GLN 42 1HE2 GLN 42 47.904 5.607 8.673 92 HE22 GLN 42 2HE2 GLN 42 48.914 4.226 8.914 93 H THR 43 H THR 43 52.935 4.038 3.720 94 HG1 THR 43 HG1 THR 43 55.872 4.497 2.493 95 H ILE 44 H ILE 44 51.380 3.398 1.688 96 H VAL 45 H VAL 45 48.992 4.394 2.476 97 H ARG 46 H ARG 46 49.539 7.054 2.440 98 HE ARG 46 HE ARG 46 53.542 9.556 2.795 99 HH11 ARG 46 1HH1 ARG 46 52.794 8.935 6.275 100 HH12 ARG 46 2HH1 ARG 46 54.053 7.767 6.454 101 HH21 ARG 46 1HH2 ARG 46 55.177 7.898 3.095 102 HH22 ARG 46 2HH2 ARG 46 55.411 7.183 4.644 103 H LYS 47 H LYS 47 49.626 7.850 -0.189 104 HZ1 LYS 47 HZ1 LYS 47 54.505 5.715 -2.923 105 HZ2 LYS 47 HZ2 LYS 47 55.488 6.883 -3.649 106 HZ3 LYS 47 HZ3 LYS 47 54.150 6.266 -4.483 107 H TYR 48 H TYR 48 47.313 7.072 -1.088 108 HH TYR 48 HH TYR 48 46.730 2.308 -6.003 109 H LYS 49 H LYS 49 45.729 8.854 0.342 110 HZ1 LYS 49 HZ1 LYS 49 44.988 12.977 6.350 111 HZ2 LYS 49 HZ2 LYS 49 43.959 11.753 6.908 112 HZ3 LYS 49 HZ3 LYS 49 43.457 13.369 6.953 113 H HIS 50 H HIS 50 46.030 11.183 -0.778 114 H HIS 51 H HIS 51 44.981 10.695 -3.240 115 H GLY 52 H GLY 52 42.474 10.323 -2.517 116 H THR 53 H THR 53 41.701 12.704 -1.881 117 HG1 THR 53 HG1 THR 53 42.113 13.651 0.187 118 H THR 54 H THR 54 42.059 14.691 -3.612 119 HG1 THR 54 HG1 THR 54 40.583 18.672 -4.111 120 H GLN 55 H GLN 55 40.817 14.050 -7.201 121 HE21 GLN 55 1HE2 GLN 55 43.474 8.314 -9.607 122 HE22 GLN 55 2HE2 GLN 55 44.485 9.450 -8.779 123 H HIS 56 H HIS 56 44.901 14.707 -8.889 124 H HIS 57 H HIS 57 43.930 16.495 -12.942 Start of MODEL 2 1 H1 ALA 1 H1 ALA 1 51.456 -22.774 -20.968 2 H2 ALA 1 H2 ALA 1 51.259 -24.266 -20.189 3 H3 ALA 1 H3 ALA 1 52.739 -23.445 -20.092 4 H SER 2 H SER 2 50.110 -20.471 -18.239 5 HG SER 2 HG SER 2 50.090 -16.026 -18.194 6 H MET 3 H MET 3 53.645 -17.642 -17.587 7 H GLY 4 H GLY 4 53.485 -15.802 -17.067 8 H LYS 5 H LYS 5 52.215 -12.107 -16.987 9 HZ1 LYS 5 HZ1 LYS 5 49.452 -15.415 -23.511 10 HZ2 LYS 5 HZ2 LYS 5 48.064 -14.693 -22.870 11 HZ3 LYS 5 HZ3 LYS 5 48.713 -16.073 -22.139 12 H SER 6 H SER 6 49.585 -13.523 -14.925 13 HG SER 6 HG SER 6 47.500 -13.957 -11.085 14 H LYS 7 H LYS 7 47.813 -9.960 -12.852 15 HZ1 LYS 7 HZ1 LYS 7 54.577 -7.985 -15.837 16 HZ2 LYS 7 HZ2 LYS 7 54.138 -9.358 -14.951 17 HZ3 LYS 7 HZ3 LYS 7 54.328 -7.870 -14.168 18 H GLU 8 H GLU 8 50.365 -7.789 -9.947 19 H ILE 9 H ILE 9 49.902 -10.013 -8.201 20 H SER 10 H SER 10 50.685 -10.014 -5.618 21 HG SER 10 HG SER 10 52.913 -9.190 -4.729 22 H GLN 11 H GLN 11 49.974 -7.717 -5.014 23 HE21 GLN 11 1HE2 GLN 11 52.742 -4.343 -2.296 24 HE22 GLN 11 2HE2 GLN 11 52.847 -5.535 -3.547 25 H ASP 12 H ASP 12 47.039 -7.795 -4.660 26 H LEU 13 H LEU 13 46.557 -8.166 -1.839 27 H ARG 14 H ARG 14 47.200 -5.865 -0.573 28 HE ARG 14 HE ARG 14 51.677 -5.037 1.576 29 HH11 ARG 14 1HH1 ARG 14 52.583 -2.580 -0.916 30 HH12 ARG 14 2HH1 ARG 14 54.278 -2.764 -0.648 31 HH21 ARG 14 1HH2 ARG 14 53.995 -5.254 1.860 32 HH22 ARG 14 2HH2 ARG 14 55.084 -4.301 0.917 33 H LYS 15 H LYS 15 45.731 -4.247 -1.711 34 HZ1 LYS 15 HZ1 LYS 15 45.136 -2.154 -8.261 35 HZ2 LYS 15 HZ2 LYS 15 45.734 -3.727 -8.087 36 HZ3 LYS 15 HZ3 LYS 15 46.770 -2.471 -8.560 37 H ARG 16 H ARG 16 43.214 -4.804 -0.668 38 HE ARG 16 HE ARG 16 40.576 -8.791 -2.590 39 HH11 ARG 16 1HH1 ARG 16 37.830 -7.127 -0.942 40 HH12 ARG 16 2HH1 ARG 16 36.767 -7.288 -2.289 41 HH21 ARG 16 1HH2 ARG 16 39.113 -8.941 -4.388 42 HH22 ARG 16 2HH2 ARG 16 37.506 -8.325 -4.272 43 H ILE 17 H ILE 17 43.386 -3.322 1.633 44 H VAL 18 H VAL 18 43.732 -0.969 1.278 45 H ASP 19 H ASP 19 41.234 -0.621 0.190 46 H LEU 20 H LEU 20 39.728 -0.120 2.268 47 H TYR 21 H TYR 21 40.405 2.081 3.103 48 HH TYR 21 HH TYR 21 43.255 10.069 4.283 49 H LYS 22 H LYS 22 39.546 3.795 1.157 50 HZ1 LYS 22 HZ1 LYS 22 37.693 6.245 -6.587 51 HZ2 LYS 22 HZ2 LYS 22 37.830 4.668 -5.988 52 HZ3 LYS 22 HZ3 LYS 22 39.181 5.688 -6.006 53 H SER 23 H SER 23 36.912 3.498 1.417 54 HG SER 23 HG SER 23 34.631 1.104 1.036 55 H GLY 24 H GLY 24 36.548 4.796 3.743 56 H SER 25 H SER 25 37.557 7.040 6.056 57 HG SER 25 HG SER 25 41.342 6.634 8.269 58 H SER 26 H SER 26 37.742 3.836 9.042 59 HG SER 26 HG SER 26 34.270 3.134 10.519 60 H LEU 27 H LEU 27 38.490 6.152 12.456 61 H GLY 28 H GLY 28 38.265 4.439 14.536 62 H ALA 29 H ALA 29 37.654 2.109 13.412 63 H ILE 30 H ILE 30 39.569 1.524 11.774 64 H SER 31 H SER 31 41.761 1.330 13.356 65 HG SER 31 HG SER 31 44.080 3.122 15.444 66 H LYS 32 H LYS 32 41.284 -0.973 14.753 67 HZ1 LYS 32 HZ1 LYS 32 37.238 -2.426 19.963 68 HZ2 LYS 32 HZ2 LYS 32 36.823 -1.043 19.079 69 HZ3 LYS 32 HZ3 LYS 32 37.458 -0.892 20.639 70 H ARG 33 H ARG 33 41.284 -2.826 12.854 71 HE ARG 33 HE ARG 33 37.188 -4.749 10.578 72 HH11 ARG 33 1HH1 ARG 33 37.608 -2.374 7.892 73 HH12 ARG 33 2HH1 ARG 33 35.942 -2.420 7.443 74 HH21 ARG 33 1HH2 ARG 33 34.972 -4.771 9.913 75 HH22 ARG 33 2HH2 ARG 33 34.435 -3.799 8.591 76 H LEU 34 H LEU 34 43.720 -2.783 11.646 77 H ALA 35 H ALA 35 45.461 -2.784 13.485 78 H VAL 36 H VAL 36 49.055 -3.764 12.871 79 H ARG 38 H ARG 38 52.058 0.144 10.413 80 HE ARG 38 HE ARG 38 54.755 -3.670 11.722 81 HH11 ARG 38 1HH1 ARG 38 55.383 -6.189 9.207 82 HH12 ARG 38 2HH1 ARG 38 55.548 -7.455 10.368 83 HH21 ARG 38 1HH2 ARG 38 54.978 -5.403 13.210 84 HH22 ARG 38 2HH2 ARG 38 55.330 -7.003 12.666 85 H SER 39 H SER 39 55.590 0.742 7.736 86 HG SER 39 HG SER 39 58.148 2.961 7.088 87 H SER 40 H SER 40 54.769 -0.241 5.295 88 HG SER 40 HG SER 40 55.738 -2.107 4.090 89 H VAL 41 H VAL 41 51.891 -0.376 5.066 90 H GLN 42 H GLN 42 51.414 2.077 5.627 91 HE21 GLN 42 1HE2 GLN 42 48.318 7.408 6.863 92 HE22 GLN 42 2HE2 GLN 42 49.665 7.701 5.815 93 H THR 43 H THR 43 52.425 3.413 3.294 94 HG1 THR 43 HG1 THR 43 54.566 3.800 2.732 95 H ILE 44 H ILE 44 50.574 2.835 1.429 96 H VAL 45 H VAL 45 48.499 3.877 2.336 97 H ARG 46 H ARG 46 49.079 6.504 2.145 98 HE ARG 46 HE ARG 46 53.213 8.670 1.979 99 HH11 ARG 46 1HH1 ARG 46 52.678 8.956 5.520 100 HH12 ARG 46 2HH1 ARG 46 53.755 7.671 5.923 101 HH21 ARG 46 1HH2 ARG 46 54.621 6.854 2.580 102 HH22 ARG 46 2HH2 ARG 46 54.890 6.499 4.245 103 H LYS 47 H LYS 47 48.801 6.860 -0.562 104 HZ1 LYS 47 HZ1 LYS 47 52.184 2.987 -5.513 105 HZ2 LYS 47 HZ2 LYS 47 50.732 3.542 -6.176 106 HZ3 LYS 47 HZ3 LYS 47 50.711 2.574 -4.790 107 H TYR 48 H TYR 48 46.167 6.594 -1.040 108 HH TYR 48 HH TYR 48 44.466 1.845 -5.200 109 H LYS 49 H LYS 49 45.277 8.684 0.471 110 HZ1 LYS 49 HZ1 LYS 49 46.210 12.024 6.719 111 HZ2 LYS 49 HZ2 LYS 49 46.106 13.698 6.932 112 HZ3 LYS 49 HZ3 LYS 49 47.307 13.045 5.936 113 H HIS 50 H HIS 50 46.007 10.839 -0.922 114 H HIS 51 H HIS 51 44.399 10.695 -3.166 115 H GLY 52 H GLY 52 42.207 11.001 -1.969 116 H THR 53 H THR 53 41.687 13.558 -1.829 117 HG1 THR 53 HG1 THR 53 42.932 14.469 -0.361 118 H THR 54 H THR 54 40.877 15.486 -3.755 119 HG1 THR 54 HG1 THR 54 40.292 18.382 -3.160 120 H GLN 55 H GLN 55 41.080 15.995 -6.075 121 HE21 GLN 55 1HE2 GLN 55 41.559 9.077 -8.205 122 HE22 GLN 55 2HE2 GLN 55 42.569 10.448 -8.516 123 H HIS 56 H HIS 56 38.043 14.458 -7.997 124 H HIS 57 H HIS 57 37.477 16.982 -11.774 Start of MODEL 3 1 H1 ALA 1 H1 ALA 1 56.760 -13.284 3.215 2 H2 ALA 1 H2 ALA 1 56.852 -13.843 4.815 3 H3 ALA 1 H3 ALA 1 55.346 -13.676 4.054 4 H SER 2 H SER 2 56.856 -16.643 1.291 5 HG SER 2 HG SER 2 57.075 -15.691 -2.365 6 H MET 3 H MET 3 55.855 -18.847 1.154 7 H GLY 4 H GLY 4 51.849 -20.832 0.534 8 H LYS 5 H LYS 5 51.520 -18.144 1.105 9 HZ1 LYS 5 HZ1 LYS 5 51.881 -14.267 7.514 10 HZ2 LYS 5 HZ2 LYS 5 51.424 -13.078 6.401 11 HZ3 LYS 5 HZ3 LYS 5 52.890 -13.901 6.203 12 H SER 6 H SER 6 50.800 -18.352 -0.768 13 HG SER 6 HG SER 6 52.971 -19.594 -3.095 14 H LYS 7 H LYS 7 48.319 -18.329 -1.601 15 HZ1 LYS 7 HZ1 LYS 7 45.324 -23.537 0.236 16 HZ2 LYS 7 HZ2 LYS 7 45.894 -24.820 -0.704 17 HZ3 LYS 7 HZ3 LYS 7 44.457 -24.036 -1.127 18 H GLU 8 H GLU 8 44.470 -17.533 -3.866 19 H ILE 9 H ILE 9 42.738 -13.396 -3.105 20 H SER 10 H SER 10 44.839 -13.583 -0.964 21 HG SER 10 HG SER 10 47.613 -14.695 0.434 22 H GLN 11 H GLN 11 45.870 -11.341 -2.084 23 HE21 GLN 11 1HE2 GLN 11 50.575 -9.334 -1.684 24 HE22 GLN 11 2HE2 GLN 11 49.772 -10.815 -2.082 25 H ASP 12 H ASP 12 43.706 -10.240 -2.401 26 H LEU 13 H LEU 13 43.014 -9.502 0.112 27 H ARG 14 H ARG 14 44.612 -7.460 0.678 28 HE ARG 14 HE ARG 14 49.261 -4.602 0.462 29 HH11 ARG 14 1HH1 ARG 14 49.458 -6.174 3.710 30 HH12 ARG 14 2HH1 ARG 14 50.133 -4.778 4.467 31 HH21 ARG 14 1HH2 ARG 14 50.127 -2.758 1.545 32 HH22 ARG 14 2HH2 ARG 14 50.533 -2.831 3.221 33 H LYS 15 H LYS 15 43.743 -5.702 -1.184 34 HZ1 LYS 15 HZ1 LYS 15 42.382 -6.276 -7.625 35 HZ2 LYS 15 HZ2 LYS 15 42.925 -7.774 -7.058 36 HZ3 LYS 15 HZ3 LYS 15 43.840 -6.915 -8.196 37 H ARG 16 H ARG 16 41.289 -5.197 -0.303 38 HE ARG 16 HE ARG 16 38.050 -8.145 1.463 39 HH11 ARG 16 1HH1 ARG 16 37.658 -8.082 -2.126 40 HH12 ARG 16 2HH1 ARG 16 38.392 -9.628 -2.353 41 HH21 ARG 16 1HH2 ARG 16 39.012 -10.238 1.087 42 HH22 ARG 16 2HH2 ARG 16 39.151 -10.865 -0.515 43 H ILE 17 H ILE 17 41.998 -3.731 1.916 44 H VAL 18 H VAL 18 42.940 -1.412 1.268 45 H ASP 19 H ASP 19 41.013 -0.500 -0.372 46 H LEU 20 H LEU 20 38.865 -0.329 1.291 47 H TYR 21 H TYR 21 39.653 1.718 2.809 48 HH TYR 21 HH TYR 21 41.872 8.236 7.771 49 H LYS 22 H LYS 22 39.516 3.895 1.114 50 HZ1 LYS 22 HZ1 LYS 22 39.869 7.052 -6.392 51 HZ2 LYS 22 HZ2 LYS 22 38.921 5.691 -6.062 52 HZ3 LYS 22 HZ3 LYS 22 40.499 5.782 -5.463 53 H SER 23 H SER 23 36.862 3.829 0.764 54 HG SER 23 HG SER 23 34.553 1.749 -0.664 55 H GLY 24 H GLY 24 36.105 5.161 3.084 56 H SER 25 H SER 25 36.114 3.863 4.749 57 HG SER 25 HG SER 25 35.940 0.446 6.021 58 H SER 26 H SER 26 36.595 3.508 9.340 59 HG SER 26 HG SER 26 37.144 3.587 12.671 60 H LEU 27 H LEU 27 40.398 5.676 10.736 61 H GLY 28 H GLY 28 40.208 3.764 12.442 62 H ALA 29 H ALA 29 39.449 1.491 11.295 63 H ILE 30 H ILE 30 41.427 0.855 9.806 64 H SER 31 H SER 31 43.350 0.361 11.498 65 HG SER 31 HG SER 31 44.942 1.888 14.034 66 H LYS 32 H LYS 32 42.347 -1.917 12.607 67 HZ1 LYS 32 HZ1 LYS 32 36.352 -2.163 14.159 68 HZ2 LYS 32 HZ2 LYS 32 36.032 -2.173 15.819 69 HZ3 LYS 32 HZ3 LYS 32 36.335 -3.625 15.006 70 H ARG 33 H ARG 33 42.365 -3.844 10.631 71 HE ARG 33 HE ARG 33 38.332 -4.975 8.687 72 HH11 ARG 33 1HH1 ARG 33 38.884 -5.181 5.131 73 HH12 ARG 33 2HH1 ARG 33 37.235 -4.838 4.741 74 HH21 ARG 33 1HH2 ARG 33 36.147 -4.452 8.094 75 HH22 ARG 33 2HH2 ARG 33 35.670 -4.405 6.436 76 H LEU 34 H LEU 34 44.826 -3.887 9.449 77 H ALA 35 H ALA 35 46.283 -4.038 11.589 78 H VAL 36 H VAL 36 50.089 -4.770 11.370 79 H ARG 38 H ARG 38 52.974 -0.160 10.530 80 HE ARG 38 HE ARG 38 57.004 -3.547 10.835 81 HH11 ARG 38 1HH1 ARG 38 58.796 -3.848 7.718 82 HH12 ARG 38 2HH1 ARG 38 59.617 -5.289 8.188 83 HH21 ARG 38 1HH2 ARG 38 58.146 -5.499 11.418 84 HH22 ARG 38 2HH2 ARG 38 59.245 -6.236 10.310 85 H SER 39 H SER 39 56.525 2.093 8.714 86 HG SER 39 HG SER 39 58.477 2.899 7.895 87 H SER 40 H SER 40 56.187 1.802 6.054 88 HG SER 40 HG SER 40 57.795 0.385 3.355 89 H VAL 41 H VAL 41 53.419 0.993 5.404 90 H GLN 42 H GLN 42 52.172 3.036 6.449 91 HE21 GLN 42 1HE2 GLN 42 51.691 4.215 12.116 92 HE22 GLN 42 2HE2 GLN 42 50.812 3.127 11.095 93 H THR 43 H THR 43 52.985 5.171 4.859 94 HG1 THR 43 HG1 THR 43 55.625 6.481 4.342 95 H ILE 44 H ILE 44 51.876 4.590 2.477 96 H VAL 45 H VAL 45 49.226 4.703 3.048 97 H ARG 46 H ARG 46 48.847 7.417 3.551 98 HE ARG 46 HE ARG 46 51.507 10.798 5.605 99 HH11 ARG 46 1HH1 ARG 46 49.800 8.976 8.217 100 HH12 ARG 46 2HH1 ARG 46 51.222 8.147 8.728 101 HH21 ARG 46 1HH2 ARG 46 53.382 9.645 6.339 102 HH22 ARG 46 2HH2 ARG 46 53.277 8.528 7.651 103 H LYS 47 H LYS 47 49.204 8.530 1.069 104 HZ1 LYS 47 HZ1 LYS 47 54.552 8.522 -3.200 105 HZ2 LYS 47 HZ2 LYS 47 54.229 7.197 -2.199 106 HZ3 LYS 47 HZ3 LYS 47 55.488 8.257 -1.813 107 H TYR 48 H TYR 48 47.290 7.407 -0.276 108 HH TYR 48 HH TYR 48 40.768 3.014 -3.656 109 H LYS 49 H LYS 49 45.058 8.393 0.843 110 HZ1 LYS 49 HZ1 LYS 49 42.103 11.903 6.728 111 HZ2 LYS 49 HZ2 LYS 49 41.530 10.309 6.781 112 HZ3 LYS 49 HZ3 LYS 49 40.448 11.606 6.943 113 H HIS 50 H HIS 50 45.240 10.879 0.222 114 H HIS 51 H HIS 51 44.489 10.686 -2.482 115 H GLY 52 H GLY 52 41.741 11.365 -2.528 116 H THR 53 H THR 53 41.671 13.956 -2.393 117 HG1 THR 53 HG1 THR 53 41.748 15.936 0.329 118 H THR 54 H THR 54 43.232 15.422 -3.771 119 HG1 THR 54 HG1 THR 54 43.019 18.610 -3.914 120 H GLN 55 H GLN 55 43.238 14.972 -7.632 121 HE21 GLN 55 1HE2 GLN 55 44.575 8.771 -10.748 122 HE22 GLN 55 2HE2 GLN 55 45.986 9.442 -9.999 123 H HIS 56 H HIS 56 44.791 15.547 -9.508 124 H HIS 57 H HIS 57 48.931 17.145 -9.705 Start of MODEL 4 1 H1 ALA 1 H1 ALA 1 39.315 -13.649 -17.635 2 H2 ALA 1 H2 ALA 1 38.984 -12.440 -18.777 3 H3 ALA 1 H3 ALA 1 39.567 -12.024 -17.239 4 H SER 2 H SER 2 43.218 -13.966 -18.805 5 HG SER 2 HG SER 2 45.304 -16.652 -18.866 6 H MET 3 H MET 3 44.548 -12.133 -18.454 7 H GLY 4 H GLY 4 44.735 -10.479 -16.211 8 H LYS 5 H LYS 5 43.697 -9.923 -13.556 9 HZ1 LYS 5 HZ1 LYS 5 41.871 -17.145 -12.908 10 HZ2 LYS 5 HZ2 LYS 5 42.607 -17.205 -14.428 11 HZ3 LYS 5 HZ3 LYS 5 40.922 -17.212 -14.303 12 H SER 6 H SER 6 44.219 -8.908 -10.738 13 HG SER 6 HG SER 6 42.830 -9.157 -6.894 14 H LYS 7 H LYS 7 47.204 -7.953 -10.248 15 HZ1 LYS 7 HZ1 LYS 7 54.707 -6.332 -13.312 16 HZ2 LYS 7 HZ2 LYS 7 53.179 -5.613 -13.392 17 HZ3 LYS 7 HZ3 LYS 7 53.471 -7.072 -14.195 18 H GLU 8 H GLU 8 50.680 -9.876 -8.106 19 H ILE 9 H ILE 9 51.414 -10.526 -4.367 20 H SER 10 H SER 10 50.824 -8.889 -2.417 21 HG SER 10 HG SER 10 52.086 -5.812 -1.646 22 H GLN 11 H GLN 11 48.833 -7.395 -3.685 23 HE21 GLN 11 1HE2 GLN 11 46.784 -1.602 -5.208 24 HE22 GLN 11 2HE2 GLN 11 45.482 -2.735 -5.357 25 H ASP 12 H ASP 12 46.050 -8.083 -3.081 26 H LEU 13 H LEU 13 45.792 -7.518 -0.474 27 H ARG 14 H ARG 14 46.321 -4.972 -0.393 28 HE ARG 14 HE ARG 14 50.837 -2.970 -0.843 29 HH11 ARG 14 1HH1 ARG 14 50.105 -2.539 -4.361 30 HH12 ARG 14 2HH1 ARG 14 51.729 -2.857 -4.846 31 HH21 ARG 14 1HH2 ARG 14 53.028 -3.305 -1.582 32 HH22 ARG 14 2HH2 ARG 14 53.395 -3.274 -3.271 33 H LYS 15 H LYS 15 44.216 -3.960 -1.782 34 HZ1 LYS 15 HZ1 LYS 15 42.927 -6.402 -7.817 35 HZ2 LYS 15 HZ2 LYS 15 42.093 -5.139 -8.576 36 HZ3 LYS 15 HZ3 LYS 15 41.419 -5.908 -7.229 37 H ARG 16 H ARG 16 42.086 -4.486 -0.183 38 HE ARG 16 HE ARG 16 41.189 -9.347 0.511 39 HH11 ARG 16 1HH1 ARG 16 37.892 -8.243 1.472 40 HH12 ARG 16 2HH1 ARG 16 37.093 -9.456 0.539 41 HH21 ARG 16 1HH2 ARG 16 40.075 -10.925 -0.730 42 HH22 ARG 16 2HH2 ARG 16 38.349 -10.995 -0.734 43 H ILE 17 H ILE 17 42.624 -2.905 1.974 44 H VAL 18 H VAL 18 42.691 -0.400 0.995 45 H ASP 19 H ASP 19 40.102 -0.128 0.051 46 H LEU 20 H LEU 20 38.587 -0.068 2.322 47 H TYR 21 H TYR 21 39.598 1.999 3.498 48 HH TYR 21 HH TYR 21 44.917 7.782 6.578 49 H LYS 22 H LYS 22 38.862 4.197 1.973 50 HZ1 LYS 22 HZ1 LYS 22 40.000 7.273 -4.103 51 HZ2 LYS 22 HZ2 LYS 22 40.573 5.684 -4.178 52 HZ3 LYS 22 HZ3 LYS 22 41.658 6.979 -4.272 53 H SER 23 H SER 23 36.191 4.167 2.080 54 HG SER 23 HG SER 23 33.528 2.489 3.175 55 H GLY 24 H GLY 24 35.256 3.973 4.611 56 H SER 25 H SER 25 34.723 2.892 7.900 57 HG SER 25 HG SER 25 36.814 1.629 11.522 58 H SER 26 H SER 26 38.218 5.198 9.412 59 HG SER 26 HG SER 26 39.808 7.651 7.166 60 H LEU 27 H LEU 27 40.108 5.022 10.873 61 H GLY 28 H GLY 28 39.174 3.040 11.959 62 H ALA 29 H ALA 29 39.355 0.886 10.346 63 H ILE 30 H ILE 30 41.911 0.386 10.091 64 H SER 31 H SER 31 42.781 0.001 12.562 65 HG SER 31 HG SER 31 43.174 1.512 14.242 66 H LYS 32 H LYS 32 41.441 -2.403 13.240 67 HZ1 LYS 32 HZ1 LYS 32 34.606 -4.392 15.054 68 HZ2 LYS 32 HZ2 LYS 32 35.362 -4.668 13.567 69 HZ3 LYS 32 HZ3 LYS 32 34.688 -3.153 13.903 70 H ARG 33 H ARG 33 42.236 -4.422 11.542 71 HE ARG 33 HE ARG 33 39.013 -6.989 8.920 72 HH11 ARG 33 1HH1 ARG 33 40.410 -6.896 5.590 73 HH12 ARG 33 2HH1 ARG 33 38.888 -7.188 4.829 74 HH21 ARG 33 1HH2 ARG 33 37.016 -7.349 7.836 75 HH22 ARG 33 2HH2 ARG 33 36.944 -7.456 6.113 76 H LEU 34 H LEU 34 44.795 -4.249 10.755 77 H ALA 35 H ALA 35 45.708 -3.451 12.807 78 H VAL 36 H VAL 36 49.386 -3.054 13.367 79 H ARG 38 H ARG 38 52.031 1.470 11.015 80 HE ARG 38 HE ARG 38 55.114 -2.946 12.807 81 HH11 ARG 38 1HH1 ARG 38 57.670 -0.453 12.249 82 HH12 ARG 38 2HH1 ARG 38 58.242 -0.519 13.877 83 HH21 ARG 38 1HH2 ARG 38 55.913 -2.962 14.976 84 HH22 ARG 38 2HH2 ARG 38 57.241 -1.960 15.440 85 H SER 39 H SER 39 55.852 1.988 8.506 86 HG SER 39 HG SER 39 58.457 2.083 6.292 87 H SER 40 H SER 40 55.015 0.545 6.401 88 HG SER 40 HG SER 40 55.549 -2.550 5.301 89 H VAL 41 H VAL 41 52.088 0.619 6.069 90 H GLN 42 H GLN 42 51.718 3.031 6.189 91 HE21 GLN 42 1HE2 GLN 42 47.855 5.855 8.454 92 HE22 GLN 42 2HE2 GLN 42 48.892 4.499 8.733 93 H THR 43 H THR 43 52.994 4.201 3.826 94 HG1 THR 43 HG1 THR 43 55.066 4.553 3.481 95 H ILE 44 H ILE 44 51.478 3.446 1.774 96 H VAL 45 H VAL 45 49.026 4.365 2.433 97 H ARG 46 H ARG 46 49.464 7.060 2.341 98 HE ARG 46 HE ARG 46 51.395 9.012 6.655 99 HH11 ARG 46 1HH1 ARG 46 49.900 12.060 5.443 100 HH12 ARG 46 2HH1 ARG 46 49.151 12.434 6.953 101 HH21 ARG 46 1HH2 ARG 46 50.324 9.529 8.635 102 HH22 ARG 46 2HH2 ARG 46 49.408 10.986 8.794 103 H LYS 47 H LYS 47 49.583 7.761 -0.302 104 HZ1 LYS 47 HZ1 LYS 47 54.476 6.169 -4.597 105 HZ2 LYS 47 HZ2 LYS 47 53.939 5.129 -3.376 106 HZ3 LYS 47 HZ3 LYS 47 55.386 5.979 -3.183 107 H TYR 48 H TYR 48 47.368 6.981 -1.331 108 HH TYR 48 HH TYR 48 47.815 2.121 -5.694 109 H LYS 49 H LYS 49 45.787 8.739 -0.009 110 HZ1 LYS 49 HZ1 LYS 49 44.989 10.660 6.508 111 HZ2 LYS 49 HZ2 LYS 49 44.507 12.157 7.133 112 HZ3 LYS 49 HZ3 LYS 49 45.914 12.043 6.200 113 H HIS 50 H HIS 50 46.066 11.055 -1.200 114 H HIS 51 H HIS 51 44.927 10.639 -3.516 115 H GLY 52 H GLY 52 42.469 10.334 -2.661 116 H THR 53 H THR 53 41.712 12.649 -1.887 117 HG1 THR 53 HG1 THR 53 42.209 13.544 0.166 118 H THR 54 H THR 54 42.009 14.718 -3.666 119 HG1 THR 54 HG1 THR 54 40.383 18.684 -4.068 120 H GLN 55 H GLN 55 40.618 14.061 -7.148 121 HE21 GLN 55 1HE2 GLN 55 42.899 8.320 -9.443 122 HE22 GLN 55 2HE2 GLN 55 44.012 9.456 -8.760 123 H HIS 56 H HIS 56 44.657 14.539 -9.156 124 H HIS 57 H HIS 57 43.315 16.818 -12.928 Start of MODEL 5 1 H1 ALA 1 H1 ALA 1 55.244 -3.838 -25.868 2 H2 ALA 1 H2 ALA 1 53.581 -4.171 -25.931 3 H3 ALA 1 H3 ALA 1 54.676 -5.408 -25.570 4 H SER 2 H SER 2 54.140 -5.284 -21.782 5 HG SER 2 HG SER 2 52.095 -7.940 -18.957 6 H MET 3 H MET 3 49.604 -5.883 -21.605 7 H GLY 4 H GLY 4 49.012 -3.514 -18.054 8 H LYS 5 H LYS 5 47.892 -6.241 -14.733 9 HZ1 LYS 5 HZ1 LYS 5 50.471 -5.217 -8.256 10 HZ2 LYS 5 HZ2 LYS 5 49.418 -3.905 -8.065 11 HZ3 LYS 5 HZ3 LYS 5 50.746 -3.783 -9.105 12 H SER 6 H SER 6 50.592 -9.678 -14.137 13 HG SER 6 HG SER 6 51.424 -13.024 -14.352 14 H LYS 7 H LYS 7 48.334 -12.583 -11.468 15 HZ1 LYS 7 HZ1 LYS 7 48.955 -17.414 -9.917 16 HZ2 LYS 7 HZ2 LYS 7 49.858 -17.522 -8.489 17 HZ3 LYS 7 HZ3 LYS 7 50.329 -18.402 -9.856 18 H GLU 8 H GLU 8 46.835 -10.983 -9.500 19 H ILE 9 H ILE 9 47.262 -11.477 -6.851 20 H SER 10 H SER 10 48.736 -10.078 -4.851 21 HG SER 10 HG SER 10 51.453 -8.182 -4.908 22 H GLN 11 H GLN 11 47.914 -7.650 -5.158 23 HE21 GLN 11 1HE2 GLN 11 47.823 -1.385 -4.861 24 HE22 GLN 11 2HE2 GLN 11 46.220 -2.022 -5.009 25 H ASP 12 H ASP 12 45.397 -7.792 -4.301 26 H LEU 13 H LEU 13 45.403 -7.530 -1.430 27 H ARG 14 H ARG 14 46.265 -5.133 -1.121 28 HE ARG 14 HE ARG 14 49.483 -0.948 -1.572 29 HH11 ARG 14 1HH1 ARG 14 50.679 -2.687 -4.507 30 HH12 ARG 14 2HH1 ARG 14 51.202 -1.244 -5.287 31 HH21 ARG 14 1HH2 ARG 14 50.196 0.962 -2.689 32 HH22 ARG 14 2HH2 ARG 14 50.898 0.849 -4.261 33 H LYS 15 H LYS 15 44.299 -3.759 -2.262 34 HZ1 LYS 15 HZ1 LYS 15 42.623 -4.776 -9.069 35 HZ2 LYS 15 HZ2 LYS 15 41.187 -4.311 -8.303 36 HZ3 LYS 15 HZ3 LYS 15 42.016 -5.690 -7.778 37 H ARG 16 H ARG 16 42.313 -4.111 -0.535 38 HE ARG 16 HE ARG 16 40.379 -8.921 0.490 39 HH11 ARG 16 1HH1 ARG 16 37.821 -7.023 2.192 40 HH12 ARG 16 2HH1 ARG 16 36.537 -8.017 1.615 41 HH21 ARG 16 1HH2 ARG 16 38.604 -10.255 -0.206 42 HH22 ARG 16 2HH2 ARG 16 36.993 -9.912 0.307 43 H ILE 17 H ILE 17 43.238 -2.578 1.570 44 H VAL 18 H VAL 18 43.261 -0.068 0.654 45 H ASP 19 H ASP 19 40.654 0.337 -0.064 46 H LEU 20 H LEU 20 39.369 0.152 2.328 47 H TYR 21 H TYR 21 40.361 2.299 3.557 48 HH TYR 21 HH TYR 21 43.619 9.402 7.005 49 H LYS 22 H LYS 22 39.310 4.476 2.152 50 HZ1 LYS 22 HZ1 LYS 22 40.944 5.731 -4.561 51 HZ2 LYS 22 HZ2 LYS 22 39.388 6.367 -4.350 52 HZ3 LYS 22 HZ3 LYS 22 39.700 4.748 -3.978 53 H SER 23 H SER 23 36.730 4.061 2.627 54 HG SER 23 HG SER 23 35.319 2.470 1.571 55 H GLY 24 H GLY 24 36.533 4.754 5.199 56 H SER 25 H SER 25 37.891 4.863 7.356 57 HG SER 25 HG SER 25 40.754 3.375 7.241 58 H SER 26 H SER 26 38.205 5.774 9.228 59 HG SER 26 HG SER 26 37.214 7.041 13.890 60 H LEU 27 H LEU 27 39.544 4.870 13.488 61 H GLY 28 H GLY 28 39.455 3.312 14.331 62 H ALA 29 H ALA 29 38.753 1.338 12.282 63 H ILE 30 H ILE 30 40.952 0.911 10.847 64 H SER 31 H SER 31 42.596 0.160 12.768 65 HG SER 31 HG SER 31 43.548 1.369 14.693 66 H LYS 32 H LYS 32 41.496 -2.399 13.395 67 HZ1 LYS 32 HZ1 LYS 32 35.463 -3.974 14.895 68 HZ2 LYS 32 HZ2 LYS 32 35.206 -3.643 16.534 69 HZ3 LYS 32 HZ3 LYS 32 35.669 -5.195 16.048 70 H ARG 33 H ARG 33 42.145 -3.885 11.223 71 HE ARG 33 HE ARG 33 40.798 -4.228 6.521 72 HH11 ARG 33 1HH1 ARG 33 42.132 -7.433 5.528 73 HH12 ARG 33 2HH1 ARG 33 40.584 -8.079 5.123 74 HH21 ARG 33 1HH2 ARG 33 38.735 -5.187 6.014 75 HH22 ARG 33 2HH2 ARG 33 38.645 -6.807 5.425 76 H LEU 34 H LEU 34 44.859 -3.644 10.704 77 H ALA 35 H ALA 35 47.645 -4.914 13.217 78 H VAL 36 H VAL 36 49.887 -4.752 14.079 79 H ARG 38 H ARG 38 52.682 -0.713 11.414 80 HE ARG 38 HE ARG 38 48.224 2.420 10.098 81 HH11 ARG 38 1HH1 ARG 38 47.415 1.754 13.550 82 HH12 ARG 38 2HH1 ARG 38 46.637 3.275 13.787 83 HH21 ARG 38 1HH2 ARG 38 47.085 4.445 10.468 84 HH22 ARG 38 2HH2 ARG 38 46.501 4.833 12.040 85 H SER 39 H SER 39 54.082 0.229 9.576 86 HG SER 39 HG SER 39 57.389 1.091 9.726 87 H SER 40 H SER 40 53.796 -0.174 6.774 88 HG SER 40 HG SER 40 52.481 -2.552 4.752 89 H VAL 41 H VAL 41 51.401 0.426 6.409 90 H GLN 42 H GLN 42 51.298 3.169 6.908 91 HE21 GLN 42 1HE2 GLN 42 48.727 5.538 10.562 92 HE22 GLN 42 2HE2 GLN 42 49.901 4.278 10.381 93 H THR 43 H THR 43 52.386 4.190 4.593 94 HG1 THR 43 HG1 THR 43 54.458 4.365 4.291 95 H ILE 44 H ILE 44 50.889 3.432 2.615 96 H VAL 45 H VAL 45 48.441 4.609 3.234 97 H ARG 46 H ARG 46 48.943 7.319 2.779 98 HE ARG 46 HE ARG 46 52.619 10.140 3.682 99 HH11 ARG 46 1HH1 ARG 46 50.863 9.847 6.820 100 HH12 ARG 46 2HH1 ARG 46 51.991 8.729 7.489 101 HH21 ARG 46 1HH2 ARG 46 54.114 8.631 4.639 102 HH22 ARG 46 2HH2 ARG 46 53.876 8.057 6.248 103 H LYS 47 H LYS 47 49.507 7.697 0.092 104 HZ1 LYS 47 HZ1 LYS 47 54.386 5.020 -2.392 105 HZ2 LYS 47 HZ2 LYS 47 55.715 6.056 -2.240 106 HZ3 LYS 47 HZ3 LYS 47 54.845 6.004 -3.689 107 H TYR 48 H TYR 48 47.354 6.693 -1.169 108 HH TYR 48 HH TYR 48 48.883 1.615 -5.088 109 H LYS 49 H LYS 49 45.470 8.394 -0.215 110 HZ1 LYS 49 HZ1 LYS 49 43.519 12.876 5.322 111 HZ2 LYS 49 HZ2 LYS 49 42.868 11.336 5.584 112 HZ3 LYS 49 HZ3 LYS 49 41.894 12.713 5.759 113 H HIS 50 H HIS 50 45.869 10.708 -1.511 114 H HIS 51 H HIS 51 45.170 9.951 -4.048 115 H GLY 52 H GLY 52 42.531 9.427 -3.772 116 H THR 53 H THR 53 41.507 11.813 -3.208 117 HG1 THR 53 HG1 THR 53 41.171 12.363 -1.111 118 H THR 54 H THR 54 42.134 13.668 -4.842 119 HG1 THR 54 HG1 THR 54 43.828 16.572 -4.542 120 H GLN 55 H GLN 55 42.812 12.925 -7.336 121 HE21 GLN 55 1HE2 GLN 55 48.194 12.609 -9.612 122 HE22 GLN 55 2HE2 GLN 55 47.250 14.016 -9.252 123 H HIS 56 H HIS 56 41.365 10.705 -8.506 124 H HIS 57 H HIS 57 37.925 9.513 -11.346 Start of MODEL 6 1 H1 ALA 1 H1 ALA 1 59.736 -15.252 9.135 2 H2 ALA 1 H2 ALA 1 61.305 -15.572 9.684 3 H3 ALA 1 H3 ALA 1 60.552 -16.629 8.594 4 H SER 2 H SER 2 61.433 -13.159 5.885 5 HG SER 2 HG SER 2 60.653 -9.815 5.152 6 H MET 3 H MET 3 61.472 -14.286 3.789 7 H GLY 4 H GLY 4 59.433 -16.250 0.176 8 H LYS 5 H LYS 5 56.721 -19.549 -0.214 9 HZ1 LYS 5 HZ1 LYS 5 57.140 -25.280 -4.438 10 HZ2 LYS 5 HZ2 LYS 5 56.518 -25.578 -2.893 11 HZ3 LYS 5 HZ3 LYS 5 58.068 -26.124 -3.299 12 H SER 6 H SER 6 55.101 -17.657 -0.690 13 HG SER 6 HG SER 6 51.680 -17.405 0.046 14 H LYS 7 H LYS 7 52.362 -16.356 -4.066 15 HZ1 LYS 7 HZ1 LYS 7 53.886 -19.270 -10.216 16 HZ2 LYS 7 HZ2 LYS 7 54.453 -17.866 -10.975 17 HZ3 LYS 7 HZ3 LYS 7 52.895 -17.917 -10.308 18 H GLU 8 H GLU 8 53.436 -12.265 -4.044 19 H ILE 9 H ILE 9 49.006 -11.970 -3.893 20 H SER 10 H SER 10 49.584 -11.505 -0.209 21 HG SER 10 HG SER 10 51.329 -10.340 0.854 22 H GLN 11 H GLN 11 49.637 -9.186 -1.455 23 HE21 GLN 11 1HE2 GLN 11 50.545 -2.861 -2.329 24 HE22 GLN 11 2HE2 GLN 11 49.546 -3.427 -3.616 25 H ASP 12 H ASP 12 47.210 -9.006 -2.739 26 H LEU 13 H LEU 13 45.501 -8.622 -0.845 27 H ARG 14 H ARG 14 46.315 -6.275 0.042 28 HE ARG 14 HE ARG 14 50.569 -4.769 3.327 29 HH11 ARG 14 1HH1 ARG 14 51.264 -5.883 -0.049 30 HH12 ARG 14 2HH1 ARG 14 52.103 -7.292 0.483 31 HH21 ARG 14 1HH2 ARG 14 51.803 -6.607 3.951 32 HH22 ARG 14 2HH2 ARG 14 52.414 -7.713 2.775 33 H LYS 15 H LYS 15 45.442 -4.595 -1.957 34 HZ1 LYS 15 HZ1 LYS 15 46.329 -7.129 -7.110 35 HZ2 LYS 15 HZ2 LYS 15 47.625 -6.498 -7.991 36 HZ3 LYS 15 HZ3 LYS 15 46.059 -5.921 -8.267 37 H ARG 16 H ARG 16 42.751 -4.495 -1.586 38 HE ARG 16 HE ARG 16 39.915 -7.301 -3.996 39 HH11 ARG 16 1HH1 ARG 16 39.682 -9.710 -1.319 40 HH12 ARG 16 2HH1 ARG 16 39.725 -11.068 -2.383 41 HH21 ARG 16 1HH2 ARG 16 40.005 -9.177 -5.367 42 HH22 ARG 16 2HH2 ARG 16 39.915 -10.765 -4.694 43 H ILE 17 H ILE 17 42.600 -3.492 0.823 44 H VAL 18 H VAL 18 43.494 -0.941 0.441 45 H ASP 19 H ASP 19 41.397 0.195 -0.812 46 H LEU 20 H LEU 20 39.608 -0.054 1.059 47 H TYR 21 H TYR 21 40.428 1.915 2.843 48 HH TYR 21 HH TYR 21 43.464 8.626 7.199 49 H LYS 22 H LYS 22 39.195 4.377 1.863 50 HZ1 LYS 22 HZ1 LYS 22 37.151 11.270 -2.553 51 HZ2 LYS 22 HZ2 LYS 22 36.378 9.893 -3.151 52 HZ3 LYS 22 HZ3 LYS 22 38.052 9.879 -2.916 53 H SER 23 H SER 23 36.950 3.743 1.609 54 HG SER 23 HG SER 23 35.260 1.534 -0.350 55 H GLY 24 H GLY 24 35.828 3.345 4.297 56 H SER 25 H SER 25 33.418 3.268 7.901 57 HG SER 25 HG SER 25 35.597 -0.226 10.476 58 H SER 26 H SER 26 37.057 2.156 10.666 59 HG SER 26 HG SER 26 37.115 5.522 13.366 60 H LEU 27 H LEU 27 40.505 4.845 10.471 61 H GLY 28 H GLY 28 41.275 3.719 12.734 62 H ALA 29 H ALA 29 39.850 1.393 12.862 63 H ILE 30 H ILE 30 40.531 -0.036 10.893 64 H SER 31 H SER 31 43.120 -0.406 11.296 65 HG SER 31 HG SER 31 46.209 1.341 11.567 66 H LYS 32 H LYS 32 43.094 -1.963 13.530 67 HZ1 LYS 32 HZ1 LYS 32 41.106 -1.499 19.954 68 HZ2 LYS 32 HZ2 LYS 32 40.623 -0.075 19.179 69 HZ3 LYS 32 HZ3 LYS 32 41.803 -0.021 20.389 70 H ARG 33 H ARG 33 42.082 -4.328 12.604 71 HE ARG 33 HE ARG 33 38.699 -5.104 9.437 72 HH11 ARG 33 1HH1 ARG 33 37.094 -4.665 12.640 73 HH12 ARG 33 2HH1 ARG 33 36.516 -3.081 12.270 74 HH21 ARG 33 1HH2 ARG 33 37.884 -2.941 9.009 75 HH22 ARG 33 2HH2 ARG 33 36.944 -2.114 10.199 76 H LEU 34 H LEU 34 43.916 -5.175 10.825 77 H ALA 35 H ALA 35 45.726 -5.549 12.474 78 H VAL 36 H VAL 36 49.129 -6.355 11.222 79 H ARG 38 H ARG 38 51.914 -1.871 9.520 80 HE ARG 38 HE ARG 38 54.904 -5.654 6.255 81 HH11 ARG 38 1HH1 ARG 38 54.503 -4.508 2.847 82 HH12 ARG 38 2HH1 ARG 38 54.947 -6.026 2.164 83 HH21 ARG 38 1HH2 ARG 38 55.584 -7.632 5.273 84 HH22 ARG 38 2HH2 ARG 38 55.601 -7.817 3.554 85 H SER 39 H SER 39 54.898 0.423 7.240 86 HG SER 39 HG SER 39 57.337 2.570 6.260 87 H SER 40 H SER 40 54.210 0.531 4.963 88 HG SER 40 HG SER 40 55.384 -1.033 2.139 89 H VAL 41 H VAL 41 51.374 0.396 4.450 90 H GLN 42 H GLN 42 50.717 2.672 5.467 91 HE21 GLN 42 1HE2 GLN 42 46.984 3.324 8.576 92 HE22 GLN 42 2HE2 GLN 42 48.307 2.304 8.127 93 H THR 43 H THR 43 51.857 4.508 3.832 94 HG1 THR 43 HG1 THR 43 53.815 5.135 3.857 95 H ILE 44 H ILE 44 50.567 4.124 1.522 96 H VAL 45 H VAL 45 47.985 4.782 2.186 97 H ARG 46 H ARG 46 48.271 7.441 2.578 98 HE ARG 46 HE ARG 46 51.291 9.071 6.523 99 HH11 ARG 46 1HH1 ARG 46 49.083 11.898 6.160 100 HH12 ARG 46 2HH1 ARG 46 48.880 12.110 7.859 101 HH21 ARG 46 1HH2 ARG 46 51.018 9.429 8.797 102 HH22 ARG 46 2HH2 ARG 46 49.940 10.646 9.375 103 H LYS 47 H LYS 47 48.593 8.456 0.080 104 HZ1 LYS 47 HZ1 LYS 47 53.522 6.502 -2.621 105 HZ2 LYS 47 HZ2 LYS 47 54.794 7.603 -2.506 106 HZ3 LYS 47 HZ3 LYS 47 53.857 7.545 -3.909 107 H TYR 48 H TYR 48 46.319 7.869 -1.060 108 HH TYR 48 HH TYR 48 38.447 5.249 -2.873 109 H LYS 49 H LYS 49 44.654 9.495 0.342 110 HZ1 LYS 49 HZ1 LYS 49 44.108 13.847 6.376 111 HZ2 LYS 49 HZ2 LYS 49 43.375 12.384 6.812 112 HZ3 LYS 49 HZ3 LYS 49 42.569 13.849 7.076 113 H HIS 50 H HIS 50 45.462 11.884 -0.411 114 H HIS 51 H HIS 51 44.541 11.779 -2.908 115 H GLY 52 H GLY 52 41.983 12.537 -2.458 116 H THR 53 H THR 53 41.921 15.048 -2.287 117 HG1 THR 53 HG1 THR 53 42.440 17.318 0.196 118 H THR 54 H THR 54 43.206 16.176 -4.175 119 HG1 THR 54 HG1 THR 54 43.549 19.293 -4.426 120 H GLN 55 H GLN 55 42.196 15.617 -7.860 121 HE21 GLN 55 1HE2 GLN 55 40.529 9.547 -9.351 122 HE22 GLN 55 2HE2 GLN 55 41.797 9.867 -8.219 123 H HIS 56 H HIS 56 43.120 15.766 -10.124 124 H HIS 57 H HIS 57 46.439 17.264 -12.588 Start of MODEL 7 1 H1 ALA 1 H1 ALA 1 58.219 -3.782 -20.119 2 H2 ALA 1 H2 ALA 1 57.027 -3.996 -21.304 3 H3 ALA 1 H3 ALA 1 57.887 -5.332 -20.715 4 H SER 2 H SER 2 55.614 -5.158 -17.044 5 HG SER 2 HG SER 2 56.479 -5.486 -13.558 6 H MET 3 H MET 3 57.646 -9.159 -17.002 7 H GLY 4 H GLY 4 58.166 -10.527 -15.906 8 H LYS 5 H LYS 5 58.957 -10.947 -12.907 9 HZ1 LYS 5 HZ1 LYS 5 59.431 -9.723 -5.680 10 HZ2 LYS 5 HZ2 LYS 5 58.515 -10.806 -4.759 11 HZ3 LYS 5 HZ3 LYS 5 58.130 -9.161 -4.760 12 H SER 6 H SER 6 54.928 -10.813 -12.195 13 HG SER 6 HG SER 6 52.916 -7.866 -14.820 14 H LYS 7 H LYS 7 53.102 -9.902 -10.674 15 HZ1 LYS 7 HZ1 LYS 7 50.787 -2.383 -10.985 16 HZ2 LYS 7 HZ2 LYS 7 51.801 -3.195 -9.898 17 HZ3 LYS 7 HZ3 LYS 7 50.164 -2.987 -9.530 18 H GLU 8 H GLU 8 52.354 -7.521 -7.012 19 H ILE 9 H ILE 9 51.420 -10.756 -3.912 20 H SER 10 H SER 10 50.404 -9.538 -2.093 21 HG SER 10 HG SER 10 51.810 -7.083 -0.219 22 H GLN 11 H GLN 11 49.133 -7.230 -3.289 23 HE21 GLN 11 1HE2 GLN 11 48.907 -2.378 -8.146 24 HE22 GLN 11 2HE2 GLN 11 48.166 -1.844 -6.675 25 H ASP 12 H ASP 12 46.293 -7.516 -3.700 26 H LEU 13 H LEU 13 45.227 -7.723 -1.302 27 H ARG 14 H ARG 14 46.031 -5.452 -0.155 28 HE ARG 14 HE ARG 14 49.629 -4.883 3.144 29 HH11 ARG 14 1HH1 ARG 14 51.983 -3.218 0.977 30 HH12 ARG 14 2HH1 ARG 14 53.360 -3.766 1.863 31 HH21 ARG 14 1HH2 ARG 14 51.527 -5.582 4.298 32 HH22 ARG 14 2HH2 ARG 14 53.099 -5.110 3.766 33 H LYS 15 H LYS 15 44.629 -3.664 -1.707 34 HZ1 LYS 15 HZ1 LYS 15 44.355 -1.374 -8.185 35 HZ2 LYS 15 HZ2 LYS 15 45.533 -2.586 -8.087 36 HZ3 LYS 15 HZ3 LYS 15 45.984 -0.991 -8.425 37 H ARG 16 H ARG 16 42.068 -4.051 -0.874 38 HE ARG 16 HE ARG 16 40.232 -8.143 -2.677 39 HH11 ARG 16 1HH1 ARG 16 37.008 -6.634 -2.098 40 HH12 ARG 16 2HH1 ARG 16 36.451 -6.944 -3.702 41 HH21 ARG 16 1HH2 ARG 16 39.469 -8.494 -4.793 42 HH22 ARG 16 2HH2 ARG 16 37.863 -8.051 -5.255 43 H ILE 17 H ILE 17 42.149 -3.111 1.588 44 H VAL 18 H VAL 18 42.669 -0.538 1.260 45 H ASP 19 H ASP 19 40.329 0.182 0.220 46 H LEU 20 H LEU 20 38.736 0.059 2.320 47 H TYR 21 H TYR 21 39.747 2.032 3.775 48 HH TYR 21 HH TYR 21 43.499 8.857 7.374 49 H LYS 22 H LYS 22 39.034 4.276 2.315 50 HZ1 LYS 22 HZ1 LYS 22 41.371 6.045 -4.065 51 HZ2 LYS 22 HZ2 LYS 22 40.469 7.485 -4.029 52 HZ3 LYS 22 HZ3 LYS 22 39.698 5.995 -3.848 53 H SER 23 H SER 23 36.425 4.047 2.719 54 HG SER 23 HG SER 23 35.004 2.593 1.551 55 H GLY 24 H GLY 24 36.260 5.254 5.166 56 H SER 25 H SER 25 35.819 3.230 6.660 57 HG SER 25 HG SER 25 36.244 -0.540 9.057 58 H SER 26 H SER 26 37.936 4.414 9.691 59 HG SER 26 HG SER 26 39.368 7.240 8.121 60 H LEU 27 H LEU 27 40.138 4.773 11.497 61 H GLY 28 H GLY 28 39.099 2.740 12.336 62 H ALA 29 H ALA 29 39.920 0.809 10.803 63 H ILE 30 H ILE 30 42.012 0.537 9.819 64 H SER 31 H SER 31 43.536 0.374 12.221 65 HG SER 31 HG SER 31 44.478 2.173 13.875 66 H LYS 32 H LYS 32 42.412 -1.876 13.240 67 HZ1 LYS 32 HZ1 LYS 32 36.601 -2.355 16.045 68 HZ2 LYS 32 HZ2 LYS 32 36.584 -1.324 17.387 69 HZ3 LYS 32 HZ3 LYS 32 36.792 -2.987 17.602 70 H ARG 33 H ARG 33 42.213 -3.987 11.707 71 HE ARG 33 HE ARG 33 41.778 -8.099 6.649 72 HH11 ARG 33 1HH1 ARG 33 39.724 -5.280 5.702 73 HH12 ARG 33 2HH1 ARG 33 39.194 -6.011 4.232 74 HH21 ARG 33 1HH2 ARG 33 41.013 -9.030 4.659 75 HH22 ARG 33 2HH2 ARG 33 39.973 -8.143 3.609 76 H LEU 34 H LEU 34 44.691 -4.080 10.458 77 H ALA 35 H ALA 35 46.596 -3.221 11.757 78 H VAL 36 H VAL 36 49.732 -5.406 12.419 79 H ARG 38 H ARG 38 51.779 -1.371 10.537 80 HE ARG 38 HE ARG 38 48.472 4.163 11.569 81 HH11 ARG 38 1HH1 ARG 38 48.047 2.720 14.840 82 HH12 ARG 38 2HH1 ARG 38 47.229 4.101 15.475 83 HH21 ARG 38 1HH2 ARG 38 47.322 5.980 12.461 84 HH22 ARG 38 2HH2 ARG 38 46.790 5.964 14.101 85 H SER 39 H SER 39 53.380 0.483 9.499 86 HG SER 39 HG SER 39 56.416 1.969 10.138 87 H SER 40 H SER 40 53.632 -0.033 6.749 88 HG SER 40 HG SER 40 52.978 -2.637 4.625 89 H VAL 41 H VAL 41 51.205 0.276 5.984 90 H GLN 42 H GLN 42 50.910 2.916 6.473 91 HE21 GLN 42 1HE2 GLN 42 51.149 6.109 11.593 92 HE22 GLN 42 2HE2 GLN 42 49.713 5.448 10.888 93 H THR 43 H THR 43 52.319 4.042 4.469 94 HG1 THR 43 HG1 THR 43 55.339 4.018 3.538 95 H ILE 44 H ILE 44 50.874 3.386 2.302 96 H VAL 45 H VAL 45 48.592 4.650 2.800 97 H ARG 46 H ARG 46 49.306 7.294 2.492 98 HE ARG 46 HE ARG 46 53.417 9.133 3.236 99 HH11 ARG 46 1HH1 ARG 46 51.746 9.485 6.415 100 HH12 ARG 46 2HH1 ARG 46 52.599 8.176 7.146 101 HH21 ARG 46 1HH2 ARG 46 54.494 7.320 4.278 102 HH22 ARG 46 2HH2 ARG 46 54.188 6.969 5.940 103 H LYS 47 H LYS 47 49.471 7.451 -0.257 104 HZ1 LYS 47 HZ1 LYS 47 53.963 3.811 -2.754 105 HZ2 LYS 47 HZ2 LYS 47 54.622 4.568 -4.117 106 HZ3 LYS 47 HZ3 LYS 47 53.042 3.965 -4.165 107 H TYR 48 H TYR 48 47.070 6.903 -0.992 108 HH TYR 48 HH TYR 48 46.023 1.705 -5.390 109 H LYS 49 H LYS 49 45.945 9.223 -0.110 110 HZ1 LYS 49 HZ1 LYS 49 47.566 11.524 5.570 111 HZ2 LYS 49 HZ2 LYS 49 46.506 11.032 6.793 112 HZ3 LYS 49 HZ3 LYS 49 46.222 12.477 5.959 113 H HIS 50 H HIS 50 46.301 11.012 -1.850 114 H HIS 51 H HIS 51 45.047 9.903 -3.887 115 H GLY 52 H GLY 52 42.573 10.353 -2.917 116 H THR 53 H THR 53 41.920 12.742 -3.441 117 HG1 THR 53 HG1 THR 53 42.379 14.331 -2.041 118 H THR 54 H THR 54 42.204 13.296 -5.938 119 HG1 THR 54 HG1 THR 54 42.091 16.126 -6.991 120 H GLN 55 H GLN 55 39.844 11.779 -8.648 121 HE21 GLN 55 1HE2 GLN 55 42.672 5.813 -8.797 122 HE22 GLN 55 2HE2 GLN 55 42.182 6.449 -10.330 123 H HIS 56 H HIS 56 43.174 9.032 -10.132 124 H HIS 57 H HIS 57 42.811 9.136 -14.569 Start of MODEL 8 1 H1 ALA 1 H1 ALA 1 59.555 -2.729 -19.038 2 H2 ALA 1 H2 ALA 1 59.607 -4.333 -19.590 3 H3 ALA 1 H3 ALA 1 60.194 -3.952 -18.051 4 H SER 2 H SER 2 56.401 -4.663 -16.407 5 HG SER 2 HG SER 2 55.520 -6.971 -12.760 6 H MET 3 H MET 3 58.285 -8.581 -16.310 7 H GLY 4 H GLY 4 58.679 -10.117 -15.424 8 H LYS 5 H LYS 5 58.904 -11.110 -12.524 9 HZ1 LYS 5 HZ1 LYS 5 56.212 -12.053 -4.483 10 HZ2 LYS 5 HZ2 LYS 5 56.586 -10.452 -4.893 11 HZ3 LYS 5 HZ3 LYS 5 57.724 -11.680 -5.150 12 H SER 6 H SER 6 54.837 -11.617 -12.480 13 HG SER 6 HG SER 6 53.209 -10.863 -15.533 14 H LYS 7 H LYS 7 52.903 -10.625 -10.686 15 HZ1 LYS 7 HZ1 LYS 7 45.762 -5.829 -8.996 16 HZ2 LYS 7 HZ2 LYS 7 45.521 -7.386 -8.391 17 HZ3 LYS 7 HZ3 LYS 7 45.988 -7.164 -10.007 18 H GLU 8 H GLU 8 52.056 -7.850 -7.400 19 H ILE 9 H ILE 9 51.424 -10.714 -3.869 20 H SER 10 H SER 10 50.467 -9.418 -2.153 21 HG SER 10 HG SER 10 51.999 -6.865 -0.734 22 H GLN 11 H GLN 11 49.218 -7.079 -3.474 23 HE21 GLN 11 1HE2 GLN 11 51.340 -2.415 -3.269 24 HE22 GLN 11 2HE2 GLN 11 51.747 -4.073 -3.567 25 H ASP 12 H ASP 12 46.273 -7.419 -4.028 26 H LEU 13 H LEU 13 45.163 -7.655 -1.620 27 H ARG 14 H ARG 14 45.906 -5.514 -0.381 28 HE ARG 14 HE ARG 14 49.591 -4.676 3.160 29 HH11 ARG 14 1HH1 ARG 14 51.872 -3.249 0.753 30 HH12 ARG 14 2HH1 ARG 14 53.270 -3.605 1.698 31 HH21 ARG 14 1HH2 ARG 14 51.517 -5.149 4.370 32 HH22 ARG 14 2HH2 ARG 14 53.067 -4.682 3.773 33 H LYS 15 H LYS 15 44.623 -3.663 -1.838 34 HZ1 LYS 15 HZ1 LYS 15 45.409 -0.627 -7.981 35 HZ2 LYS 15 HZ2 LYS 15 46.164 -2.140 -7.912 36 HZ3 LYS 15 HZ3 LYS 15 47.096 -0.727 -7.916 37 H ARG 16 H ARG 16 42.056 -4.031 -1.051 38 HE ARG 16 HE ARG 16 39.199 -7.381 -3.006 39 HH11 ARG 16 1HH1 ARG 16 38.493 -9.398 -0.095 40 HH12 ARG 16 2HH1 ARG 16 38.105 -10.801 -1.021 41 HH21 ARG 16 1HH2 ARG 16 38.728 -9.316 -4.188 42 HH22 ARG 16 2HH2 ARG 16 38.246 -10.758 -3.370 43 H ILE 17 H ILE 17 42.124 -3.170 1.450 44 H VAL 18 H VAL 18 42.691 -0.599 1.164 45 H ASP 19 H ASP 19 40.391 0.210 0.062 46 H LEU 20 H LEU 20 38.781 0.073 2.173 47 H TYR 21 H TYR 21 39.785 1.989 3.656 48 HH TYR 21 HH TYR 21 43.815 8.227 7.890 49 H LYS 22 H LYS 22 39.111 4.238 2.286 50 HZ1 LYS 22 HZ1 LYS 22 39.654 4.837 -3.816 51 HZ2 LYS 22 HZ2 LYS 22 41.325 4.657 -3.977 52 HZ3 LYS 22 HZ3 LYS 22 40.593 6.144 -4.329 53 H SER 23 H SER 23 36.456 4.032 2.689 54 HG SER 23 HG SER 23 33.800 2.048 1.668 55 H GLY 24 H GLY 24 36.322 5.032 5.210 56 H SER 25 H SER 25 35.854 3.120 6.621 57 HG SER 25 HG SER 25 34.327 0.078 7.927 58 H SER 26 H SER 26 37.936 4.300 9.567 59 HG SER 26 HG SER 26 39.572 7.033 7.715 60 H LEU 27 H LEU 27 40.416 4.857 11.301 61 H GLY 28 H GLY 28 39.330 2.921 12.403 62 H ALA 29 H ALA 29 39.847 0.824 10.915 63 H ILE 30 H ILE 30 41.980 0.435 9.997 64 H SER 31 H SER 31 43.542 0.344 12.306 65 HG SER 31 HG SER 31 44.929 2.217 14.906 66 H LYS 32 H LYS 32 42.483 -1.893 13.408 67 HZ1 LYS 32 HZ1 LYS 32 37.753 -1.951 18.451 68 HZ2 LYS 32 HZ2 LYS 32 37.620 -0.739 17.275 69 HZ3 LYS 32 HZ3 LYS 32 38.193 -0.360 18.820 70 H ARG 33 H ARG 33 42.353 -4.016 11.918 71 HE ARG 33 HE ARG 33 41.042 -7.387 8.048 72 HH11 ARG 33 1HH1 ARG 33 39.070 -4.710 6.684 73 HH12 ARG 33 2HH1 ARG 33 39.272 -5.219 5.049 74 HH21 ARG 33 1HH2 ARG 33 41.340 -8.005 5.804 75 HH22 ARG 33 2HH2 ARG 33 40.609 -7.084 4.541 76 H LEU 34 H LEU 34 44.749 -4.179 10.566 77 H ALA 35 H ALA 35 46.601 -3.271 12.009 78 H VAL 36 H VAL 36 49.890 -5.271 12.693 79 H ARG 38 H ARG 38 51.538 -1.107 10.753 80 HE ARG 38 HE ARG 38 48.308 2.934 11.845 81 HH11 ARG 38 1HH1 ARG 38 47.927 2.137 15.339 82 HH12 ARG 38 2HH1 ARG 38 47.460 3.739 15.775 83 HH21 ARG 38 1HH2 ARG 38 47.808 5.103 12.510 84 HH22 ARG 38 2HH2 ARG 38 47.458 5.457 14.163 85 H SER 39 H SER 39 53.168 0.682 9.671 86 HG SER 39 HG SER 39 56.157 2.248 10.439 87 H SER 40 H SER 40 53.594 0.088 7.054 88 HG SER 40 HG SER 40 54.757 -1.937 5.964 89 H VAL 41 H VAL 41 51.133 0.270 6.113 90 H GLN 42 H GLN 42 50.651 2.951 6.525 91 HE21 GLN 42 1HE2 GLN 42 46.120 5.074 7.819 92 HE22 GLN 42 2HE2 GLN 42 47.247 3.883 8.374 93 H THR 43 H THR 43 52.198 4.000 4.501 94 HG1 THR 43 HG1 THR 43 54.297 4.137 4.545 95 H ILE 44 H ILE 44 50.889 3.461 2.278 96 H VAL 45 H VAL 45 48.682 4.566 2.625 97 H ARG 46 H ARG 46 49.316 7.309 2.406 98 HE ARG 46 HE ARG 46 53.240 10.076 2.285 99 HH11 ARG 46 1HH1 ARG 46 52.626 9.240 5.738 100 HH12 ARG 46 2HH1 ARG 46 53.887 8.064 5.799 101 HH21 ARG 46 1HH2 ARG 46 54.919 8.504 2.421 102 HH22 ARG 46 2HH2 ARG 46 55.242 7.674 3.900 103 H LYS 47 H LYS 47 49.505 7.619 -0.323 104 HZ1 LYS 47 HZ1 LYS 47 54.361 4.926 -3.305 105 HZ2 LYS 47 HZ2 LYS 47 55.433 6.073 -3.933 106 HZ3 LYS 47 HZ3 LYS 47 54.070 5.617 -4.821 107 H TYR 48 H TYR 48 47.166 6.918 -1.126 108 HH TYR 48 HH TYR 48 45.461 2.433 -6.469 109 H LYS 49 H LYS 49 45.874 9.095 -0.145 110 HZ1 LYS 49 HZ1 LYS 49 44.997 11.840 6.298 111 HZ2 LYS 49 HZ2 LYS 49 46.582 11.359 5.941 112 HZ3 LYS 49 HZ3 LYS 49 45.607 10.400 6.942 113 H HIS 50 H HIS 50 46.232 11.017 -1.762 114 H HIS 51 H HIS 51 45.039 10.005 -3.884 115 H GLY 52 H GLY 52 42.540 10.309 -2.942 116 H THR 53 H THR 53 41.911 12.730 -3.416 117 HG1 THR 53 HG1 THR 53 42.945 15.460 -2.074 118 H THR 54 H THR 54 42.177 13.405 -5.934 119 HG1 THR 54 HG1 THR 54 41.781 16.950 -8.129 120 H GLN 55 H GLN 55 40.047 11.669 -8.582 121 HE21 GLN 55 1HE2 GLN 55 43.794 6.325 -8.876 122 HE22 GLN 55 2HE2 GLN 55 43.226 6.976 -10.374 123 H HIS 56 H HIS 56 43.729 9.568 -10.201 124 H HIS 57 H HIS 57 42.900 9.666 -14.559
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