NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
628047 | 6gil | 34274 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 LEU 1 HT1 LEU 1 29.492 8.300 -0.344 2 H2 LEU 1 HT2 LEU 1 30.169 9.848 -0.165 3 H3 LEU 1 HT3 LEU 1 30.956 8.675 -1.110 4 HA LEU 1 HA LEU 1 28.941 10.521 -1.820 5 HB2 LEU 1 HB2 LEU 1 30.835 8.600 -3.212 6 HB3 LEU 1 HB1 LEU 1 29.630 9.526 -4.136 7 HG LEU 1 HG LEU 1 30.545 11.637 -3.299 8 HD11 LEU 1 HD11 LEU 1 32.303 9.796 -1.631 9 HD12 LEU 1 HD12 LEU 1 31.253 11.122 -1.076 10 HD13 LEU 1 HD13 LEU 1 32.751 11.486 -1.960 11 HD21 LEU 1 HD21 LEU 1 32.671 11.592 -4.459 12 HD22 LEU 1 HD22 LEU 1 31.593 10.441 -5.286 13 HD23 LEU 1 HD23 LEU 1 32.849 9.844 -4.175 14 H LEU 2 HN LEU 2 29.052 7.066 -1.315 15 HA LEU 2 HA LEU 2 26.247 6.760 -1.435 16 HB2 LEU 2 HB2 LEU 2 27.484 6.809 -4.071 17 HB3 LEU 2 HB1 LEU 2 26.862 5.173 -3.782 18 HG LEU 2 HG LEU 2 25.164 7.663 -3.296 19 HD11 LEU 2 HD11 LEU 2 24.137 7.113 -5.539 20 HD12 LEU 2 HD12 LEU 2 25.490 5.992 -5.824 21 HD13 LEU 2 HD13 LEU 2 25.802 7.735 -5.639 22 HD21 LEU 2 HD21 LEU 2 24.551 5.386 -2.286 23 HD22 LEU 2 HD22 LEU 2 24.367 4.792 -3.952 24 HD23 LEU 2 HD23 LEU 2 23.322 6.102 -3.353 25 HA PRO 3 HA PRO 3 28.316 2.512 -1.062 26 HB2 PRO 3 HB2 PRO 3 30.876 2.041 -1.788 27 HB3 PRO 3 HB1 PRO 3 29.574 2.178 -3.014 28 HG2 PRO 3 HG2 PRO 3 31.641 4.202 -2.195 29 HG3 PRO 3 HG1 PRO 3 31.012 3.812 -3.825 30 HD2 PRO 3 HD2 PRO 3 30.131 5.965 -2.231 31 HD3 PRO 3 HD1 PRO 3 29.215 5.260 -3.600 32 H ILE 4 HN ILE 4 31.042 4.820 -0.584 33 HA ILE 4 HA ILE 4 31.698 3.608 2.024 34 HB ILE 4 HB ILE 4 33.412 5.447 2.129 35 HG12 ILE 4 HG12 ILE 4 32.295 6.146 -0.630 36 HG13 ILE 4 HG11 ILE 4 32.102 7.137 0.834 37 HG21 ILE 4 HG21 ILE 4 33.750 3.189 0.951 38 HG22 ILE 4 HG22 ILE 4 34.839 4.500 0.446 39 HG23 ILE 4 HG23 ILE 4 33.453 4.050 -0.577 40 HD11 ILE 4 HD1 ILE 4 34.635 6.536 -0.726 41 HD12 ILE 4 HD2 ILE 4 34.709 7.076 0.969 42 HD13 ILE 4 HD3 ILE 4 33.959 8.114 -0.266 43 H VAL 5 HN VAL 5 29.057 5.077 1.366 44 HA VAL 5 HA VAL 5 27.608 6.485 2.501 45 HB VAL 5 HB VAL 5 29.527 6.174 4.851 46 HG11 VAL 5 HG11 VAL 5 27.857 7.908 5.212 47 HG12 VAL 5 HG12 VAL 5 27.373 6.468 6.140 48 HG13 VAL 5 HG13 VAL 5 26.563 6.849 4.601 49 HG21 VAL 5 HG21 VAL 5 27.165 4.437 3.996 50 HG22 VAL 5 HG22 VAL 5 28.129 4.233 5.479 51 HG23 VAL 5 HG23 VAL 5 28.880 3.972 3.887 52 H GLY 6 HN GLY 6 27.809 8.396 1.412 53 HA2 GLY 6 HA1 GLY 6 30.078 10.163 1.814 54 HA3 GLY 6 HA2 GLY 6 28.578 10.538 0.943 55 H ASN 7 HN ASN 7 26.598 10.816 2.387 56 HA ASN 7 HA ASN 7 27.247 11.920 5.081 57 HB2 ASN 7 HB2 ASN 7 26.047 13.577 2.822 58 HB3 ASN 7 HB1 ASN 7 26.055 14.058 4.536 59 HD21 ASN 7 HD21 ASN 7 27.813 15.303 5.167 60 HD22 ASN 7 HD22 ASN 7 29.372 15.320 4.336 61 H LEU 8 HN LEU 8 25.170 10.640 2.665 62 HA LEU 8 HA LEU 8 23.270 9.670 4.589 63 HB2 LEU 8 HB2 LEU 8 22.638 12.162 4.417 64 HB3 LEU 8 HB1 LEU 8 22.168 11.818 2.739 65 HG LEU 8 HG LEU 8 20.752 9.843 3.828 66 HD11 LEU 8 HD11 LEU 8 19.856 10.533 6.079 67 HD12 LEU 8 HD12 LEU 8 21.132 11.767 6.170 68 HD13 LEU 8 HD13 LEU 8 21.562 10.041 6.125 69 HD21 LEU 8 HD21 LEU 8 19.957 12.777 4.101 70 HD22 LEU 8 HD22 LEU 8 18.830 11.400 4.107 71 HD23 LEU 8 HD23 LEU 8 19.772 11.773 2.643 72 H LEU 9 HN LEU 9 24.804 8.402 2.777 73 HA LEU 9 HA LEU 9 24.689 6.884 1.032 74 HB2 LEU 9 HB2 LEU 9 21.672 7.246 1.040 75 HB3 LEU 9 HB1 LEU 9 22.614 5.809 0.580 76 HG LEU 9 HG LEU 9 22.302 6.978 3.381 77 HD11 LEU 9 HD11 LEU 9 21.564 4.237 2.276 78 HD12 LEU 9 HD12 LEU 9 20.418 5.594 2.389 79 HD13 LEU 9 HD13 LEU 9 21.140 4.913 3.866 80 HD21 LEU 9 HD21 LEU 9 23.637 4.846 3.995 81 HD22 LEU 9 HD22 LEU 9 24.561 6.186 3.278 82 HD23 LEU 9 HD23 LEU 9 24.108 4.784 2.279 83 H LYS 10 HN LYS 10 24.847 9.812 0.591 84 HA LYS 10 HA LYS 10 24.567 9.731 -2.295 85 HB2 LYS 10 HB2 LYS 10 22.162 10.148 -1.348 86 HB3 LYS 10 HB1 LYS 10 22.755 11.783 -0.980 87 HG2 LYS 10 HG2 LYS 10 23.516 11.914 -3.428 88 HG3 LYS 10 HG1 LYS 10 22.589 10.421 -3.701 89 HD2 LYS 10 HD2 LYS 10 21.456 13.022 -2.576 90 HD3 LYS 10 HD1 LYS 10 21.252 12.449 -4.247 91 HE2 LYS 10 HE2 LYS 10 20.277 10.279 -3.156 92 HE3 LYS 10 HE1 LYS 10 20.117 11.276 -1.689 93 HZ1 LYS 10 HZ1 LYS 10 18.850 12.888 -3.002 94 HZ2 LYS 10 HZ2 LYS 10 18.104 11.362 -2.994 95 HZ3 LYS 10 HZ3 LYS 10 18.962 11.885 -4.365 96 H SER 11 HN SER 11 25.346 11.687 -3.325 97 HA SER 11 HA SER 11 27.659 12.739 -2.123 98 HB2 SER 11 HB2 SER 11 27.453 14.565 -3.862 99 HB3 SER 11 HB1 SER 11 27.334 12.911 -4.502 100 HG SER 11 HG SER 11 25.530 14.917 -4.570 101 H LEU 12 HN LEU 12 24.520 14.446 -2.562 102 HA LEU 12 HA LEU 12 23.516 16.077 -1.269 103 HB2 LEU 12 HB2 LEU 12 24.328 14.430 0.622 104 HB3 LEU 12 HB1 LEU 12 25.556 15.672 0.939 105 HG LEU 12 HG LEU 12 23.472 17.337 0.925 106 HD11 LEU 12 HD11 LEU 12 22.184 14.640 1.562 107 HD12 LEU 12 HD12 LEU 12 21.760 15.730 0.222 108 HD13 LEU 12 HD13 LEU 12 21.441 16.218 1.900 109 HD21 LEU 12 HD21 LEU 12 23.179 16.941 3.371 110 HD22 LEU 12 HD22 LEU 12 24.893 16.911 2.890 111 HD23 LEU 12 HD23 LEU 12 24.030 15.387 3.207 112 H LEU 13 HN LEU 13 26.595 16.161 -2.457 113 HA LEU 13 HA LEU 13 27.503 18.705 -1.373 114 HB2 LEU 13 HB2 LEU 13 28.276 17.333 -3.978 115 HB3 LEU 13 HB1 LEU 13 29.188 18.612 -3.148 116 HG LEU 13 HG LEU 13 28.536 15.942 -1.824 117 HD11 LEU 13 HD11 LEU 13 31.052 16.730 -3.357 118 HD12 LEU 13 HD12 LEU 13 29.844 15.535 -3.889 119 HD13 LEU 13 HD13 LEU 13 30.822 15.226 -2.434 120 HD21 LEU 13 HD21 LEU 13 30.477 18.225 -1.247 121 HD22 LEU 13 HD22 LEU 13 30.636 16.621 -0.497 122 HD23 LEU 13 HD23 LEU 13 29.183 17.597 -0.201 Start of MODEL 2 1 H1 LEU 1 HT1 LEU 1 27.938 7.833 -0.017 2 H2 LEU 1 HT2 LEU 1 26.486 8.597 -0.457 3 H3 LEU 1 HT3 LEU 1 27.977 9.294 -0.876 4 HA LEU 1 HA LEU 1 26.424 7.424 -2.264 5 HB2 LEU 1 HB2 LEU 1 27.396 9.372 -3.318 6 HB3 LEU 1 HB1 LEU 1 29.028 8.913 -2.788 7 HG LEU 1 HG LEU 1 29.048 6.990 -4.272 8 HD11 LEU 1 HD11 LEU 1 26.997 6.695 -5.844 9 HD12 LEU 1 HD12 LEU 1 26.106 7.669 -4.651 10 HD13 LEU 1 HD13 LEU 1 26.834 6.116 -4.172 11 HD21 LEU 1 HD21 LEU 1 28.840 8.116 -6.455 12 HD22 LEU 1 HD22 LEU 1 29.566 9.216 -5.259 13 HD23 LEU 1 HD23 LEU 1 27.855 9.399 -5.713 14 H LEU 2 HN LEU 2 29.875 7.404 -1.231 15 HA LEU 2 HA LEU 2 30.308 4.710 -2.165 16 HB2 LEU 2 HB2 LEU 2 31.880 6.156 -0.002 17 HB3 LEU 2 HB1 LEU 2 32.455 4.874 -1.091 18 HG LEU 2 HG LEU 2 31.536 7.645 -1.991 19 HD11 LEU 2 HD11 LEU 2 33.893 8.140 -2.314 20 HD12 LEU 2 HD12 LEU 2 34.351 6.486 -1.844 21 HD13 LEU 2 HD13 LEU 2 33.666 7.597 -0.634 22 HD21 LEU 2 HD21 LEU 2 31.206 6.121 -3.807 23 HD22 LEU 2 HD22 LEU 2 32.688 5.214 -3.424 24 HD23 LEU 2 HD23 LEU 2 32.796 6.850 -4.116 25 HA PRO 3 HA PRO 3 28.519 2.004 0.883 26 HB2 PRO 3 HB2 PRO 3 31.389 1.124 1.333 27 HB3 PRO 3 HB1 PRO 3 29.904 0.124 1.208 28 HG2 PRO 3 HG2 PRO 3 31.571 0.399 -0.876 29 HG3 PRO 3 HG1 PRO 3 29.796 0.334 -1.103 30 HD2 PRO 3 HD2 PRO 3 31.643 2.675 -1.385 31 HD3 PRO 3 HD1 PRO 3 30.016 2.411 -2.095 32 H ILE 4 HN ILE 4 31.538 3.720 1.712 33 HA ILE 4 HA ILE 4 31.030 3.596 4.593 34 HB ILE 4 HB ILE 4 32.931 5.254 4.710 35 HG12 ILE 4 HG12 ILE 4 32.963 4.863 1.679 36 HG13 ILE 4 HG11 ILE 4 32.443 6.350 2.502 37 HG21 ILE 4 HG21 ILE 4 34.620 3.651 4.113 38 HG22 ILE 4 HG22 ILE 4 33.575 2.905 2.881 39 HG23 ILE 4 HG23 ILE 4 33.200 2.705 4.609 40 HD11 ILE 4 HD1 ILE 4 34.783 6.290 3.654 41 HD12 ILE 4 HD2 ILE 4 34.706 6.775 1.943 42 HD13 ILE 4 HD3 ILE 4 35.217 5.128 2.377 43 H VAL 5 HN VAL 5 28.834 4.651 3.037 44 HA VAL 5 HA VAL 5 27.530 6.590 2.768 45 HB VAL 5 HB VAL 5 26.999 7.566 5.144 46 HG11 VAL 5 HG11 VAL 5 25.819 5.425 5.774 47 HG12 VAL 5 HG12 VAL 5 26.704 4.608 4.463 48 HG13 VAL 5 HG13 VAL 5 25.561 5.918 4.084 49 HG21 VAL 5 HG21 VAL 5 28.699 5.148 5.916 50 HG22 VAL 5 HG22 VAL 5 27.786 6.201 7.019 51 HG23 VAL 5 HG23 VAL 5 29.195 6.841 6.146 52 H GLY 6 HN GLY 6 28.435 8.151 1.547 53 HA2 GLY 6 HA1 GLY 6 30.598 9.830 2.528 54 HA3 GLY 6 HA2 GLY 6 29.653 10.072 1.044 55 H ASN 7 HN ASN 7 27.093 10.205 2.091 56 HA ASN 7 HA ASN 7 27.002 12.221 4.224 57 HB2 ASN 7 HB2 ASN 7 27.649 13.562 2.186 58 HB3 ASN 7 HB1 ASN 7 26.142 13.015 1.411 59 HD21 ASN 7 HD21 ASN 7 27.178 14.446 4.600 60 HD22 ASN 7 HD22 ASN 7 25.799 15.546 4.699 61 H LEU 8 HN LEU 8 26.026 9.596 3.815 62 HA LEU 8 HA LEU 8 24.048 8.515 4.389 63 HB2 LEU 8 HB2 LEU 8 23.334 10.999 5.149 64 HB3 LEU 8 HB1 LEU 8 22.293 10.895 3.716 65 HG LEU 8 HG LEU 8 22.350 8.827 5.968 66 HD11 LEU 8 HD11 LEU 8 20.147 9.822 6.586 67 HD12 LEU 8 HD12 LEU 8 20.406 11.099 5.372 68 HD13 LEU 8 HD13 LEU 8 21.488 10.976 6.780 69 HD21 LEU 8 HD21 LEU 8 20.578 9.253 3.521 70 HD22 LEU 8 HD22 LEU 8 20.147 8.174 4.869 71 HD23 LEU 8 HD23 LEU 8 21.592 7.837 3.887 72 H LEU 9 HN LEU 9 25.191 7.977 2.135 73 HA LEU 9 HA LEU 9 24.825 7.163 -0.003 74 HB2 LEU 9 HB2 LEU 9 21.845 7.556 0.460 75 HB3 LEU 9 HB1 LEU 9 22.650 6.382 -0.604 76 HG LEU 9 HG LEU 9 22.852 6.411 2.443 77 HD11 LEU 9 HD11 LEU 9 21.407 4.433 2.351 78 HD12 LEU 9 HD12 LEU 9 21.352 4.523 0.574 79 HD13 LEU 9 HD13 LEU 9 20.591 5.799 1.555 80 HD21 LEU 9 HD21 LEU 9 23.969 4.602 0.258 81 HD22 LEU 9 HD22 LEU 9 23.781 4.046 1.940 82 HD23 LEU 9 HD23 LEU 9 24.850 5.418 1.572 83 H LYS 10 HN LYS 10 24.699 10.153 0.844 84 HA LYS 10 HA LYS 10 24.689 12.153 -0.313 85 HB2 LYS 10 HB2 LYS 10 25.749 10.593 -2.112 86 HB3 LYS 10 HB1 LYS 10 24.159 10.662 -2.906 87 HG2 LYS 10 HG2 LYS 10 24.287 13.134 -2.970 88 HG3 LYS 10 HG1 LYS 10 25.869 13.076 -2.156 89 HD2 LYS 10 HD2 LYS 10 26.754 11.703 -4.054 90 HD3 LYS 10 HD1 LYS 10 25.188 11.888 -4.880 91 HE2 LYS 10 HE2 LYS 10 27.192 14.061 -4.164 92 HE3 LYS 10 HE1 LYS 10 26.612 13.596 -5.780 93 HZ1 LYS 10 HZ1 LYS 10 24.308 14.189 -4.721 94 HZ2 LYS 10 HZ2 LYS 10 25.309 15.406 -5.356 95 HZ3 LYS 10 HZ3 LYS 10 25.252 15.138 -3.679 96 H SER 11 HN SER 11 22.091 10.022 -0.205 97 HA SER 11 HA SER 11 20.139 11.414 -1.780 98 HB2 SER 11 HB2 SER 11 19.658 9.179 -1.050 99 HB3 SER 11 HB1 SER 11 19.919 9.609 0.654 100 HG SER 11 HG SER 11 18.093 11.238 -0.510 101 H LEU 12 HN LEU 12 20.265 11.279 1.807 102 HA LEU 12 HA LEU 12 19.749 12.892 3.381 103 HB2 LEU 12 HB2 LEU 12 21.623 14.062 1.954 104 HB3 LEU 12 HB1 LEU 12 20.292 15.052 1.320 105 HG LEU 12 HG LEU 12 19.694 15.356 3.918 106 HD11 LEU 12 HD11 LEU 12 21.402 13.793 4.772 107 HD12 LEU 12 HD12 LEU 12 21.766 15.450 5.304 108 HD13 LEU 12 HD13 LEU 12 22.683 14.725 3.964 109 HD21 LEU 12 HD21 LEU 12 22.010 16.748 2.499 110 HD22 LEU 12 HD22 LEU 12 21.224 17.357 3.975 111 HD23 LEU 12 HD23 LEU 12 20.294 17.221 2.463 112 H LEU 13 HN LEU 13 17.903 12.131 0.899 113 HA LEU 13 HA LEU 13 15.738 12.646 0.225 114 HB2 LEU 13 HB2 LEU 13 15.433 13.856 2.996 115 HB3 LEU 13 HB1 LEU 13 14.170 13.126 1.978 116 HG LEU 13 HG LEU 13 16.571 11.633 3.136 117 HD11 LEU 13 HD11 LEU 13 13.625 11.568 3.922 118 HD12 LEU 13 HD12 LEU 13 14.915 12.374 4.848 119 HD13 LEU 13 HD13 LEU 13 14.932 10.604 4.651 120 HD21 LEU 13 HD21 LEU 13 15.916 10.497 1.142 121 HD22 LEU 13 HD22 LEU 13 14.187 10.817 1.421 122 HD23 LEU 13 HD23 LEU 13 15.051 9.637 2.435 Start of MODEL 3 1 H1 LEU 1 HT1 LEU 1 29.896 12.237 -0.394 2 H2 LEU 1 HT2 LEU 1 29.903 10.555 -0.629 3 H3 LEU 1 HT3 LEU 1 29.297 11.583 -1.838 4 HA LEU 1 HA LEU 1 31.250 11.854 -2.734 5 HB2 LEU 1 HB2 LEU 1 31.968 12.569 0.124 6 HB3 LEU 1 HB1 LEU 1 33.246 12.438 -1.107 7 HG LEU 1 HG LEU 1 32.061 14.094 -2.519 8 HD11 LEU 1 HD11 LEU 1 30.156 15.381 -1.384 9 HD12 LEU 1 HD12 LEU 1 30.075 14.044 -0.212 10 HD13 LEU 1 HD13 LEU 1 29.757 13.739 -1.937 11 HD21 LEU 1 HD21 LEU 1 32.431 16.064 -1.051 12 HD22 LEU 1 HD22 LEU 1 33.736 14.868 -0.869 13 HD23 LEU 1 HD23 LEU 1 32.464 14.993 0.370 14 H LEU 2 HN LEU 2 30.816 9.642 -0.086 15 HA LEU 2 HA LEU 2 33.127 7.964 -1.033 16 HB2 LEU 2 HB2 LEU 2 31.414 7.621 1.460 17 HB3 LEU 2 HB1 LEU 2 32.957 6.821 1.094 18 HG LEU 2 HG LEU 2 32.601 9.833 1.456 19 HD11 LEU 2 HD11 LEU 2 33.883 7.799 3.329 20 HD12 LEU 2 HD12 LEU 2 32.235 8.441 3.534 21 HD13 LEU 2 HD13 LEU 2 33.637 9.534 3.632 22 HD21 LEU 2 HD21 LEU 2 35.187 9.610 1.707 23 HD22 LEU 2 HD22 LEU 2 34.512 9.496 0.068 24 HD23 LEU 2 HD23 LEU 2 34.993 8.018 0.935 25 HA PRO 3 HA PRO 3 30.210 5.211 -2.956 26 HB2 PRO 3 HB2 PRO 3 31.548 2.796 -2.831 27 HB3 PRO 3 HB1 PRO 3 32.009 4.114 -3.956 28 HG2 PRO 3 HG2 PRO 3 33.197 3.391 -1.285 29 HG3 PRO 3 HG1 PRO 3 34.021 3.825 -2.816 30 HD2 PRO 3 HD2 PRO 3 33.680 5.635 -0.797 31 HD3 PRO 3 HD1 PRO 3 33.646 6.123 -2.523 32 H ILE 4 HN ILE 4 31.448 4.695 0.261 33 HA ILE 4 HA ILE 4 29.464 2.611 0.940 34 HB ILE 4 HB ILE 4 31.175 4.198 2.902 35 HG12 ILE 4 HG12 ILE 4 31.962 1.786 1.203 36 HG13 ILE 4 HG11 ILE 4 32.672 3.414 1.116 37 HG21 ILE 4 HG21 ILE 4 30.916 2.295 4.314 38 HG22 ILE 4 HG22 ILE 4 30.358 1.266 2.972 39 HG23 ILE 4 HG23 ILE 4 29.304 2.548 3.609 40 HD11 ILE 4 HD1 ILE 4 34.194 2.166 2.455 41 HD12 ILE 4 HD2 ILE 4 32.882 1.385 3.367 42 HD13 ILE 4 HD3 ILE 4 33.242 3.110 3.626 43 H VAL 5 HN VAL 5 30.235 5.753 2.504 44 HA VAL 5 HA VAL 5 27.438 6.653 2.267 45 HB VAL 5 HB VAL 5 28.628 5.945 4.998 46 HG11 VAL 5 HG11 VAL 5 26.402 6.933 5.837 47 HG12 VAL 5 HG12 VAL 5 26.228 7.661 4.224 48 HG13 VAL 5 HG13 VAL 5 27.601 8.110 5.262 49 HG21 VAL 5 HG21 VAL 5 26.172 5.031 3.432 50 HG22 VAL 5 HG22 VAL 5 26.381 4.716 5.170 51 HG23 VAL 5 HG23 VAL 5 27.530 4.038 4.005 52 H GLY 6 HN GLY 6 28.047 8.539 1.333 53 HA2 GLY 6 HA1 GLY 6 30.357 10.042 2.191 54 HA3 GLY 6 HA2 GLY 6 29.065 10.610 1.115 55 H ASN 7 HN ASN 7 26.833 10.666 2.519 56 HA ASN 7 HA ASN 7 27.344 11.932 5.168 57 HB2 ASN 7 HB2 ASN 7 26.035 13.405 2.843 58 HB3 ASN 7 HB1 ASN 7 26.071 13.969 4.530 59 HD21 ASN 7 HD21 ASN 7 27.722 14.148 1.552 60 HD22 ASN 7 HD22 ASN 7 29.277 14.710 2.173 61 H LEU 8 HN LEU 8 25.229 10.722 2.644 62 HA LEU 8 HA LEU 8 23.465 9.501 4.568 63 HB2 LEU 8 HB2 LEU 8 22.848 12.124 4.378 64 HB3 LEU 8 HB1 LEU 8 21.975 11.571 2.935 65 HG LEU 8 HG LEU 8 21.631 10.364 5.725 66 HD11 LEU 8 HD11 LEU 8 19.837 12.306 4.204 67 HD12 LEU 8 HD12 LEU 8 20.883 12.748 5.574 68 HD13 LEU 8 HD13 LEU 8 19.530 11.618 5.816 69 HD21 LEU 8 HD21 LEU 8 19.537 9.442 4.650 70 HD22 LEU 8 HD22 LEU 8 21.040 8.795 3.950 71 HD23 LEU 8 HD23 LEU 8 20.124 10.057 3.088 72 H LEU 9 HN LEU 9 24.991 8.493 2.580 73 HA LEU 9 HA LEU 9 24.819 7.007 0.816 74 HB2 LEU 9 HB2 LEU 9 22.404 6.745 2.063 75 HB3 LEU 9 HB1 LEU 9 21.840 7.337 0.488 76 HG LEU 9 HG LEU 9 23.686 4.937 0.915 77 HD11 LEU 9 HD11 LEU 9 21.348 4.577 1.706 78 HD12 LEU 9 HD12 LEU 9 21.728 3.596 0.269 79 HD13 LEU 9 HD13 LEU 9 20.747 5.073 0.106 80 HD21 LEU 9 HD21 LEU 9 22.322 6.076 -1.569 81 HD22 LEU 9 HD22 LEU 9 23.196 4.527 -1.506 82 HD23 LEU 9 HD23 LEU 9 24.073 6.053 -1.243 83 H LYS 10 HN LYS 10 25.269 9.826 0.483 84 HA LYS 10 HA LYS 10 25.338 11.426 -1.192 85 HB2 LYS 10 HB2 LYS 10 26.302 9.319 -2.317 86 HB3 LYS 10 HB1 LYS 10 24.729 9.168 -3.134 87 HG2 LYS 10 HG2 LYS 10 25.083 11.657 -3.841 88 HG3 LYS 10 HG1 LYS 10 26.775 11.411 -3.351 89 HD2 LYS 10 HD2 LYS 10 25.262 9.736 -5.405 90 HD3 LYS 10 HD1 LYS 10 26.471 10.986 -5.776 91 HE2 LYS 10 HE2 LYS 10 28.090 9.632 -4.281 92 HE3 LYS 10 HE1 LYS 10 26.891 8.319 -4.379 93 HZ1 LYS 10 HZ1 LYS 10 27.697 7.800 -6.359 94 HZ2 LYS 10 HZ2 LYS 10 28.822 9.070 -6.275 95 HZ3 LYS 10 HZ3 LYS 10 27.289 9.334 -6.957 96 H SER 11 HN SER 11 23.581 10.382 -3.767 97 HA SER 11 HA SER 11 21.522 11.014 -4.616 98 HB2 SER 11 HB2 SER 11 20.805 9.370 -2.804 99 HB3 SER 11 HB1 SER 11 20.485 10.779 -1.768 100 HG SER 11 HG SER 11 19.101 11.541 -3.476 101 H LEU 12 HN LEU 12 22.945 13.136 -4.573 102 HA LEU 12 HA LEU 12 22.915 15.445 -4.415 103 HB2 LEU 12 HB2 LEU 12 19.991 15.188 -3.626 104 HB3 LEU 12 HB1 LEU 12 20.792 16.558 -4.425 105 HG LEU 12 HG LEU 12 20.388 13.769 -5.595 106 HD11 LEU 12 HD11 LEU 12 18.338 15.148 -5.517 107 HD12 LEU 12 HD12 LEU 12 18.913 14.976 -7.192 108 HD13 LEU 12 HD13 LEU 12 19.200 16.491 -6.302 109 HD21 LEU 12 HD21 LEU 12 21.897 16.230 -6.565 110 HD22 LEU 12 HD22 LEU 12 21.230 15.048 -7.718 111 HD23 LEU 12 HD23 LEU 12 22.440 14.535 -6.521 112 H LEU 13 HN LEU 13 20.412 14.826 -1.923 113 HA LEU 13 HA LEU 13 21.888 16.518 -0.035 114 HB2 LEU 13 HB2 LEU 13 19.490 14.786 0.643 115 HB3 LEU 13 HB1 LEU 13 19.972 16.354 1.337 116 HG LEU 13 HG LEU 13 18.921 15.849 -1.482 117 HD11 LEU 13 HD11 LEU 13 17.020 17.192 -0.748 118 HD12 LEU 13 HD12 LEU 13 17.798 17.502 0.822 119 HD13 LEU 13 HD13 LEU 13 17.255 15.858 0.407 120 HD21 LEU 13 HD21 LEU 13 20.061 18.337 -0.139 121 HD22 LEU 13 HD22 LEU 13 18.996 18.422 -1.565 122 HD23 LEU 13 HD23 LEU 13 20.566 17.592 -1.674 Start of MODEL 4 1 H1 LEU 1 HT1 LEU 1 28.473 10.117 6.894 2 H2 LEU 1 HT2 LEU 1 29.182 9.310 5.578 3 H3 LEU 1 HT3 LEU 1 28.654 10.918 5.412 4 HA LEU 1 HA LEU 1 30.788 11.378 5.720 5 HB2 LEU 1 HB2 LEU 1 30.193 10.744 8.629 6 HB3 LEU 1 HB1 LEU 1 31.184 12.061 7.957 7 HG LEU 1 HG LEU 1 28.156 11.768 7.698 8 HD11 LEU 1 HD11 LEU 1 29.873 13.806 9.185 9 HD12 LEU 1 HD12 LEU 1 28.993 12.461 9.948 10 HD13 LEU 1 HD13 LEU 1 28.095 13.762 9.133 11 HD21 LEU 1 HD21 LEU 1 28.428 14.159 6.754 12 HD22 LEU 1 HD22 LEU 1 28.926 12.826 5.691 13 HD23 LEU 1 HD23 LEU 1 30.155 13.772 6.567 14 H LEU 2 HN LEU 2 29.947 8.248 5.924 15 HA LEU 2 HA LEU 2 32.600 7.323 7.003 16 HB2 LEU 2 HB2 LEU 2 30.216 5.573 6.308 17 HB3 LEU 2 HB1 LEU 2 31.585 5.207 7.381 18 HG LEU 2 HG LEU 2 29.412 7.291 7.884 19 HD11 LEU 2 HD11 LEU 2 28.684 5.792 9.654 20 HD12 LEU 2 HD12 LEU 2 30.063 4.705 9.361 21 HD13 LEU 2 HD13 LEU 2 28.775 4.860 8.142 22 HD21 LEU 2 HD21 LEU 2 31.425 8.136 8.876 23 HD22 LEU 2 HD22 LEU 2 31.941 6.514 9.399 24 HD23 LEU 2 HD23 LEU 2 30.567 7.315 10.199 25 HA PRO 3 HA PRO 3 34.413 6.351 3.054 26 HB2 PRO 3 HB2 PRO 3 34.354 3.493 4.077 27 HB3 PRO 3 HB1 PRO 3 35.663 4.356 3.205 28 HG2 PRO 3 HG2 PRO 3 35.744 4.047 5.866 29 HG3 PRO 3 HG1 PRO 3 36.307 5.557 5.086 30 HD2 PRO 3 HD2 PRO 3 33.841 5.092 6.721 31 HD3 PRO 3 HD1 PRO 3 34.722 6.620 6.393 32 H ILE 4 HN ILE 4 31.979 4.001 4.260 33 HA ILE 4 HA ILE 4 31.163 3.042 1.694 34 HB ILE 4 HB ILE 4 29.342 3.321 4.123 35 HG12 ILE 4 HG12 ILE 4 31.459 1.209 3.503 36 HG13 ILE 4 HG11 ILE 4 31.482 2.357 4.860 37 HG21 ILE 4 HG21 ILE 4 28.463 2.536 1.833 38 HG22 ILE 4 HG22 ILE 4 28.193 1.432 3.198 39 HG23 ILE 4 HG23 ILE 4 29.502 1.106 2.038 40 HD11 ILE 4 HD1 ILE 4 29.180 1.321 5.514 41 HD12 ILE 4 HD2 ILE 4 30.644 0.356 5.821 42 HD13 ILE 4 HD3 ILE 4 29.626 -0.002 4.408 43 H VAL 5 HN VAL 5 29.139 5.112 3.819 44 HA VAL 5 HA VAL 5 27.729 6.176 1.492 45 HB VAL 5 HB VAL 5 26.628 7.670 3.242 46 HG11 VAL 5 HG11 VAL 5 25.724 5.458 2.546 47 HG12 VAL 5 HG12 VAL 5 25.378 5.814 4.255 48 HG13 VAL 5 HG13 VAL 5 26.681 4.678 3.826 49 HG21 VAL 5 HG21 VAL 5 27.123 7.342 5.567 50 HG22 VAL 5 HG22 VAL 5 28.707 7.538 4.784 51 HG23 VAL 5 HG23 VAL 5 28.134 5.917 5.232 52 H GLY 6 HN GLY 6 27.904 8.837 3.399 53 HA2 GLY 6 HA1 GLY 6 30.376 10.037 3.127 54 HA3 GLY 6 HA2 GLY 6 29.671 10.199 1.504 55 H ASN 7 HN ASN 7 26.933 10.264 2.711 56 HA ASN 7 HA ASN 7 26.735 12.559 4.435 57 HB2 ASN 7 HB2 ASN 7 27.573 13.730 2.391 58 HB3 ASN 7 HB1 ASN 7 26.184 13.087 1.483 59 HD21 ASN 7 HD21 ASN 7 26.060 15.714 1.370 60 HD22 ASN 7 HD22 ASN 7 24.989 16.412 2.589 61 H LEU 8 HN LEU 8 25.718 9.911 4.138 62 HA LEU 8 HA LEU 8 23.671 8.940 4.664 63 HB2 LEU 8 HB2 LEU 8 22.933 11.434 5.205 64 HB3 LEU 8 HB1 LEU 8 22.086 11.320 3.649 65 HG LEU 8 HG LEU 8 21.164 9.024 4.626 66 HD11 LEU 8 HD11 LEU 8 20.801 9.204 7.114 67 HD12 LEU 8 HD12 LEU 8 21.949 10.561 7.147 68 HD13 LEU 8 HD13 LEU 8 22.501 8.937 6.672 69 HD21 LEU 8 HD21 LEU 8 20.207 11.732 5.664 70 HD22 LEU 8 HD22 LEU 8 19.239 10.238 5.612 71 HD23 LEU 8 HD23 LEU 8 19.774 11.005 4.098 72 H LEU 9 HN LEU 9 24.802 7.951 2.698 73 HA LEU 9 HA LEU 9 24.527 6.858 0.676 74 HB2 LEU 9 HB2 LEU 9 21.624 7.783 0.772 75 HB3 LEU 9 HB1 LEU 9 22.287 6.460 -0.204 76 HG LEU 9 HG LEU 9 22.627 6.397 2.820 77 HD11 LEU 9 HD11 LEU 9 20.230 6.801 2.496 78 HD12 LEU 9 HD12 LEU 9 20.495 5.103 2.958 79 HD13 LEU 9 HD13 LEU 9 20.155 5.522 1.262 80 HD21 LEU 9 HD21 LEU 9 23.808 4.734 1.374 81 HD22 LEU 9 HD22 LEU 9 22.242 4.232 0.698 82 HD23 LEU 9 HD23 LEU 9 22.596 3.960 2.420 83 H LYS 10 HN LYS 10 25.248 9.711 0.876 84 HA LYS 10 HA LYS 10 25.635 11.497 -0.551 85 HB2 LYS 10 HB2 LYS 10 25.073 9.426 -2.710 86 HB3 LYS 10 HB1 LYS 10 25.940 10.966 -2.925 87 HG2 LYS 10 HG2 LYS 10 27.703 10.245 -1.398 88 HG3 LYS 10 HG1 LYS 10 26.808 8.754 -1.015 89 HD2 LYS 10 HD2 LYS 10 27.060 7.930 -3.275 90 HD3 LYS 10 HD1 LYS 10 27.717 9.488 -3.828 91 HE2 LYS 10 HE2 LYS 10 29.715 9.201 -2.479 92 HE3 LYS 10 HE1 LYS 10 29.036 7.754 -1.696 93 HZ1 LYS 10 HZ1 LYS 10 28.849 7.181 -4.341 94 HZ2 LYS 10 HZ2 LYS 10 30.084 6.646 -3.304 95 HZ3 LYS 10 HZ3 LYS 10 30.315 8.029 -4.262 96 H SER 11 HN SER 11 24.710 12.822 -2.429 97 HA SER 11 HA SER 11 21.888 12.446 -3.046 98 HB2 SER 11 HB2 SER 11 21.047 14.431 -1.854 99 HB3 SER 11 HB1 SER 11 21.679 13.227 -0.709 100 HG SER 11 HG SER 11 23.747 14.592 -1.178 101 H LEU 12 HN LEU 12 24.944 13.872 -3.372 102 HA LEU 12 HA LEU 12 24.083 16.139 -5.044 103 HB2 LEU 12 HB2 LEU 12 26.889 14.992 -4.895 104 HB3 LEU 12 HB1 LEU 12 26.384 16.671 -5.202 105 HG LEU 12 HG LEU 12 26.125 15.137 -2.577 106 HD11 LEU 12 HD11 LEU 12 27.729 17.618 -3.340 107 HD12 LEU 12 HD12 LEU 12 28.403 15.980 -3.163 108 HD13 LEU 12 HD13 LEU 12 27.715 16.817 -1.751 109 HD21 LEU 12 HD21 LEU 12 24.189 16.552 -2.722 110 HD22 LEU 12 HD22 LEU 12 25.122 17.878 -3.458 111 HD23 LEU 12 HD23 LEU 12 25.368 17.459 -1.745 112 H LEU 13 HN LEU 13 25.515 12.897 -5.513 113 HA LEU 13 HA LEU 13 25.781 11.634 -7.445 114 HB2 LEU 13 HB2 LEU 13 23.231 13.184 -8.006 115 HB3 LEU 13 HB1 LEU 13 23.885 12.046 -9.207 116 HG LEU 13 HG LEU 13 23.862 10.244 -7.475 117 HD11 LEU 13 HD11 LEU 13 22.678 12.489 -5.795 118 HD12 LEU 13 HD12 LEU 13 24.063 11.437 -5.413 119 HD13 LEU 13 HD13 LEU 13 22.414 10.773 -5.403 120 HD21 LEU 13 HD21 LEU 13 21.195 11.684 -7.837 121 HD22 LEU 13 HD22 LEU 13 21.409 9.961 -7.442 122 HD23 LEU 13 HD23 LEU 13 21.942 10.585 -9.021 Start of MODEL 5 1 H1 LEU 1 HT1 LEU 1 27.460 7.219 -1.067 2 H2 LEU 1 HT2 LEU 1 26.169 8.107 -1.724 3 H3 LEU 1 HT3 LEU 1 27.538 8.912 -1.121 4 HA LEU 1 HA LEU 1 27.118 7.536 -3.627 5 HB2 LEU 1 HB2 LEU 1 27.234 9.961 -3.583 6 HB3 LEU 1 HB1 LEU 1 28.751 9.919 -2.660 7 HG LEU 1 HG LEU 1 29.944 8.942 -4.557 8 HD11 LEU 1 HD11 LEU 1 28.598 8.772 -6.789 9 HD12 LEU 1 HD12 LEU 1 27.153 8.739 -5.750 10 HD13 LEU 1 HD13 LEU 1 28.393 7.471 -5.596 11 HD21 LEU 1 HD21 LEU 1 28.154 11.196 -5.564 12 HD22 LEU 1 HD22 LEU 1 29.805 10.809 -6.108 13 HD23 LEU 1 HD23 LEU 1 29.532 11.433 -4.463 14 H LEU 2 HN LEU 2 29.648 8.065 -1.152 15 HA LEU 2 HA LEU 2 31.697 6.649 -2.609 16 HB2 LEU 2 HB2 LEU 2 31.315 7.466 0.289 17 HB3 LEU 2 HB1 LEU 2 32.721 6.500 -0.210 18 HG LEU 2 HG LEU 2 33.386 8.231 -1.819 19 HD11 LEU 2 HD11 LEU 2 32.092 10.477 -1.658 20 HD12 LEU 2 HD12 LEU 2 30.779 9.523 -0.926 21 HD13 LEU 2 HD13 LEU 2 31.329 9.163 -2.580 22 HD21 LEU 2 HD21 LEU 2 34.080 8.385 0.600 23 HD22 LEU 2 HD22 LEU 2 32.709 9.486 0.879 24 HD23 LEU 2 HD23 LEU 2 34.024 9.964 -0.220 25 HA PRO 3 HA PRO 3 30.859 2.302 -2.195 26 HB2 PRO 3 HB2 PRO 3 33.368 2.254 -0.487 27 HB3 PRO 3 HB1 PRO 3 32.849 1.113 -1.770 28 HG2 PRO 3 HG2 PRO 3 34.670 3.023 -2.260 29 HG3 PRO 3 HG1 PRO 3 33.448 2.558 -3.486 30 HD2 PRO 3 HD2 PRO 3 33.619 5.069 -1.864 31 HD3 PRO 3 HD1 PRO 3 32.787 4.772 -3.426 32 H ILE 4 HN ILE 4 31.870 4.125 0.685 33 HA ILE 4 HA ILE 4 30.302 2.310 2.470 34 HB ILE 4 HB ILE 4 31.301 4.054 4.224 35 HG12 ILE 4 HG12 ILE 4 33.303 4.360 1.936 36 HG13 ILE 4 HG11 ILE 4 32.037 5.565 2.242 37 HG21 ILE 4 HG21 ILE 4 33.348 2.706 4.388 38 HG22 ILE 4 HG22 ILE 4 33.133 2.129 2.720 39 HG23 ILE 4 HG23 ILE 4 31.975 1.654 3.984 40 HD11 ILE 4 HD1 ILE 4 33.920 6.393 3.422 41 HD12 ILE 4 HD2 ILE 4 34.371 4.781 4.021 42 HD13 ILE 4 HD3 ILE 4 32.946 5.613 4.687 43 H VAL 5 HN VAL 5 30.662 5.641 3.357 44 HA VAL 5 HA VAL 5 27.914 6.350 2.440 45 HB VAL 5 HB VAL 5 28.709 6.569 5.376 46 HG11 VAL 5 HG11 VAL 5 26.074 6.920 3.875 47 HG12 VAL 5 HG12 VAL 5 27.069 8.228 4.561 48 HG13 VAL 5 HG13 VAL 5 26.282 7.049 5.639 49 HG21 VAL 5 HG21 VAL 5 27.020 4.497 3.908 50 HG22 VAL 5 HG22 VAL 5 26.964 4.740 5.671 51 HG23 VAL 5 HG23 VAL 5 28.473 4.207 4.895 52 H GLY 6 HN GLY 6 28.001 8.319 1.609 53 HA2 GLY 6 HA1 GLY 6 30.318 10.050 2.179 54 HA3 GLY 6 HA2 GLY 6 29.007 10.357 1.021 55 H ASN 7 HN ASN 7 26.801 10.701 2.090 56 HA ASN 7 HA ASN 7 26.978 12.088 4.718 57 HB2 ASN 7 HB2 ASN 7 26.042 13.467 2.166 58 HB3 ASN 7 HB1 ASN 7 25.892 14.124 3.812 59 HD21 ASN 7 HD21 ASN 7 27.609 15.387 4.540 60 HD22 ASN 7 HD22 ASN 7 29.223 15.372 3.821 61 H LEU 8 HN LEU 8 25.837 9.644 3.831 62 HA LEU 8 HA LEU 8 23.878 8.569 4.560 63 HB2 LEU 8 HB2 LEU 8 23.152 10.898 5.576 64 HB3 LEU 8 HB1 LEU 8 22.177 11.038 4.097 65 HG LEU 8 HG LEU 8 21.373 8.574 4.741 66 HD11 LEU 8 HD11 LEU 8 21.217 8.308 7.228 67 HD12 LEU 8 HD12 LEU 8 22.283 9.719 7.424 68 HD13 LEU 8 HD13 LEU 8 22.895 8.242 6.645 69 HD21 LEU 8 HD21 LEU 8 19.518 9.568 6.082 70 HD22 LEU 8 HD22 LEU 8 19.890 10.539 4.636 71 HD23 LEU 8 HD23 LEU 8 20.456 11.073 6.238 72 H LEU 9 HN LEU 9 24.803 7.939 2.332 73 HA LEU 9 HA LEU 9 24.313 7.207 0.189 74 HB2 LEU 9 HB2 LEU 9 21.401 7.876 0.749 75 HB3 LEU 9 HB1 LEU 9 22.060 6.621 -0.327 76 HG LEU 9 HG LEU 9 22.244 6.679 2.719 77 HD11 LEU 9 HD11 LEU 9 20.779 4.743 2.619 78 HD12 LEU 9 HD12 LEU 9 20.858 4.718 0.841 79 HD13 LEU 9 HD13 LEU 9 20.029 6.053 1.678 80 HD21 LEU 9 HD21 LEU 9 23.193 4.303 2.283 81 HD22 LEU 9 HD22 LEU 9 24.279 5.674 1.970 82 HD23 LEU 9 HD23 LEU 9 23.472 4.851 0.613 83 H LYS 10 HN LYS 10 25.039 9.946 0.642 84 HA LYS 10 HA LYS 10 23.593 11.953 -0.563 85 HB2 LYS 10 HB2 LYS 10 26.008 11.991 0.315 86 HB3 LYS 10 HB1 LYS 10 26.498 11.450 -1.305 87 HG2 LYS 10 HG2 LYS 10 25.509 13.432 -2.328 88 HG3 LYS 10 HG1 LYS 10 24.827 13.947 -0.766 89 HD2 LYS 10 HD2 LYS 10 27.128 14.139 0.160 90 HD3 LYS 10 HD1 LYS 10 27.793 13.670 -1.424 91 HE2 LYS 10 HE2 LYS 10 26.161 16.156 -0.763 92 HE3 LYS 10 HE1 LYS 10 27.852 16.084 -1.317 93 HZ1 LYS 10 HZ1 LYS 10 25.391 15.872 -2.834 94 HZ2 LYS 10 HZ2 LYS 10 26.570 14.722 -3.248 95 HZ3 LYS 10 HZ3 LYS 10 26.932 16.380 -3.326 96 H SER 11 HN SER 11 23.620 12.916 -2.721 97 HA SER 11 HA SER 11 23.416 12.832 -5.031 98 HB2 SER 11 HB2 SER 11 25.567 11.312 -4.759 99 HB3 SER 11 HB1 SER 11 24.451 9.996 -5.189 100 HG SER 11 HG SER 11 25.280 10.840 -7.074 101 H LEU 12 HN LEU 12 22.911 9.434 -3.952 102 HA LEU 12 HA LEU 12 20.441 9.264 -5.527 103 HB2 LEU 12 HB2 LEU 12 21.376 7.295 -3.410 104 HB3 LEU 12 HB1 LEU 12 20.386 6.985 -4.856 105 HG LEU 12 HG LEU 12 23.324 7.808 -4.825 106 HD11 LEU 12 HD11 LEU 12 23.655 5.538 -5.796 107 HD12 LEU 12 HD12 LEU 12 21.916 5.216 -5.601 108 HD13 LEU 12 HD13 LEU 12 22.942 5.464 -4.169 109 HD21 LEU 12 HD21 LEU 12 22.365 8.784 -6.790 110 HD22 LEU 12 HD22 LEU 12 21.312 7.376 -7.074 111 HD23 LEU 12 HD23 LEU 12 23.069 7.247 -7.341 112 H LEU 13 HN LEU 13 20.953 11.069 -2.973 113 HA LEU 13 HA LEU 13 19.706 11.763 -1.135 114 HB2 LEU 13 HB2 LEU 13 17.282 10.755 -2.664 115 HB3 LEU 13 HB1 LEU 13 17.407 12.162 -1.582 116 HG LEU 13 HG LEU 13 18.733 11.846 -4.311 117 HD11 LEU 13 HD11 LEU 13 17.245 13.691 -4.956 118 HD12 LEU 13 HD12 LEU 13 16.593 13.772 -3.302 119 HD13 LEU 13 HD13 LEU 13 16.281 12.340 -4.313 120 HD21 LEU 13 HD21 LEU 13 19.318 14.328 -3.854 121 HD22 LEU 13 HD22 LEU 13 20.270 13.107 -2.981 122 HD23 LEU 13 HD23 LEU 13 18.960 13.979 -2.146 Start of MODEL 6 1 H1 LEU 1 HT1 LEU 1 30.260 12.480 0.679 2 H2 LEU 1 HT2 LEU 1 31.756 13.040 0.101 3 H3 LEU 1 HT3 LEU 1 31.597 11.439 0.648 4 HA LEU 1 HA LEU 1 29.678 11.661 -1.247 5 HB2 LEU 1 HB2 LEU 1 32.180 13.228 -1.959 6 HB3 LEU 1 HB1 LEU 1 31.197 12.437 -3.214 7 HG LEU 1 HG LEU 1 29.207 13.692 -2.481 8 HD11 LEU 1 HD11 LEU 1 29.504 13.993 -0.140 9 HD12 LEU 1 HD12 LEU 1 29.668 15.631 -0.812 10 HD13 LEU 1 HD13 LEU 1 31.120 14.712 -0.345 11 HD21 LEU 1 HD21 LEU 1 30.720 14.694 -4.172 12 HD22 LEU 1 HD22 LEU 1 31.658 15.471 -2.874 13 HD23 LEU 1 HD23 LEU 1 29.968 15.952 -3.163 14 H LEU 2 HN LEU 2 30.559 9.607 0.098 15 HA LEU 2 HA LEU 2 32.580 8.178 -1.617 16 HB2 LEU 2 HB2 LEU 2 31.488 7.294 1.082 17 HB3 LEU 2 HB1 LEU 2 32.971 6.754 0.266 18 HG LEU 2 HG LEU 2 32.437 9.540 1.387 19 HD11 LEU 2 HD11 LEU 2 32.903 7.828 3.102 20 HD12 LEU 2 HD12 LEU 2 34.287 8.936 2.937 21 HD13 LEU 2 HD13 LEU 2 34.354 7.313 2.210 22 HD21 LEU 2 HD21 LEU 2 34.959 9.781 0.819 23 HD22 LEU 2 HD22 LEU 2 33.817 9.860 -0.539 24 HD23 LEU 2 HD23 LEU 2 34.734 8.365 -0.235 25 HA PRO 3 HA PRO 3 29.300 5.705 -3.320 26 HB2 PRO 3 HB2 PRO 3 30.568 3.249 -3.668 27 HB3 PRO 3 HB1 PRO 3 30.806 4.657 -4.750 28 HG2 PRO 3 HG2 PRO 3 32.516 3.703 -2.466 29 HG3 PRO 3 HG1 PRO 3 33.006 4.291 -4.086 30 HD2 PRO 3 HD2 PRO 3 33.143 5.896 -1.897 31 HD3 PRO 3 HD1 PRO 3 32.699 6.550 -3.507 32 H ILE 4 HN ILE 4 31.082 4.711 -0.473 33 HA ILE 4 HA ILE 4 29.139 2.637 0.305 34 HB ILE 4 HB ILE 4 31.241 3.962 2.075 35 HG12 ILE 4 HG12 ILE 4 31.556 1.558 0.213 36 HG13 ILE 4 HG11 ILE 4 32.277 3.162 -0.055 37 HG21 ILE 4 HG21 ILE 4 29.405 2.425 3.027 38 HG22 ILE 4 HG22 ILE 4 31.083 1.955 3.376 39 HG23 ILE 4 HG23 ILE 4 30.169 1.111 2.103 40 HD11 ILE 4 HD1 ILE 4 32.911 1.146 2.125 41 HD12 ILE 4 HD2 ILE 4 33.341 2.866 2.302 42 HD13 ILE 4 HD3 ILE 4 34.018 1.910 0.962 43 H VAL 5 HN VAL 5 30.153 5.847 1.574 44 HA VAL 5 HA VAL 5 27.452 6.694 2.053 45 HB VAL 5 HB VAL 5 27.463 5.036 3.860 46 HG11 VAL 5 HG11 VAL 5 29.743 6.510 5.225 47 HG12 VAL 5 HG12 VAL 5 30.073 5.190 4.079 48 HG13 VAL 5 HG13 VAL 5 29.109 4.881 5.541 49 HG21 VAL 5 HG21 VAL 5 26.359 7.284 4.172 50 HG22 VAL 5 HG22 VAL 5 27.816 7.835 5.030 51 HG23 VAL 5 HG23 VAL 5 26.843 6.503 5.695 52 H GLY 6 HN GLY 6 27.723 8.759 1.558 53 HA2 GLY 6 HA1 GLY 6 30.246 10.142 2.257 54 HA3 GLY 6 HA2 GLY 6 28.921 10.766 1.256 55 H ASN 7 HN ASN 7 26.735 10.806 2.661 56 HA ASN 7 HA ASN 7 27.217 11.750 5.423 57 HB2 ASN 7 HB2 ASN 7 26.188 13.647 3.270 58 HB3 ASN 7 HB1 ASN 7 26.252 13.987 5.016 59 HD21 ASN 7 HD21 ASN 7 28.014 14.222 2.074 60 HD22 ASN 7 HD22 ASN 7 29.596 14.554 2.782 61 H LEU 8 HN LEU 8 25.238 10.828 2.735 62 HA LEU 8 HA LEU 8 23.148 9.874 4.511 63 HB2 LEU 8 HB2 LEU 8 22.667 12.392 4.274 64 HB3 LEU 8 HB1 LEU 8 22.329 12.058 2.562 65 HG LEU 8 HG LEU 8 20.727 10.162 3.541 66 HD11 LEU 8 HD11 LEU 8 21.352 10.378 5.902 67 HD12 LEU 8 HD12 LEU 8 19.671 10.917 5.694 68 HD13 LEU 8 HD13 LEU 8 20.971 12.117 5.877 69 HD21 LEU 8 HD21 LEU 8 19.975 12.137 2.247 70 HD22 LEU 8 HD22 LEU 8 20.034 13.129 3.724 71 HD23 LEU 8 HD23 LEU 8 18.864 11.793 3.595 72 H LEU 9 HN LEU 9 24.744 8.485 2.868 73 HA LEU 9 HA LEU 9 24.660 6.902 1.191 74 HB2 LEU 9 HB2 LEU 9 22.243 6.697 2.176 75 HB3 LEU 9 HB1 LEU 9 21.737 7.571 0.715 76 HG LEU 9 HG LEU 9 23.215 5.724 -0.540 77 HD11 LEU 9 HD11 LEU 9 23.059 3.517 0.626 78 HD12 LEU 9 HD12 LEU 9 22.481 4.350 2.087 79 HD13 LEU 9 HD13 LEU 9 24.126 4.653 1.481 80 HD21 LEU 9 HD21 LEU 9 20.469 5.198 0.683 81 HD22 LEU 9 HD22 LEU 9 21.181 4.240 -0.637 82 HD23 LEU 9 HD23 LEU 9 20.811 5.963 -0.887 83 H LYS 10 HN LYS 10 25.272 9.727 0.664 84 HA LYS 10 HA LYS 10 25.674 11.093 -1.168 85 HB2 LYS 10 HB2 LYS 10 26.655 8.886 -1.964 86 HB3 LYS 10 HB1 LYS 10 25.132 8.605 -2.836 87 HG2 LYS 10 HG2 LYS 10 25.464 10.541 -4.229 88 HG3 LYS 10 HG1 LYS 10 26.810 11.122 -3.218 89 HD2 LYS 10 HD2 LYS 10 28.172 9.185 -3.859 90 HD3 LYS 10 HD1 LYS 10 26.817 8.516 -4.802 91 HE2 LYS 10 HE2 LYS 10 28.332 9.652 -6.335 92 HE3 LYS 10 HE1 LYS 10 26.840 10.614 -6.202 93 HZ1 LYS 10 HZ1 LYS 10 29.489 11.133 -4.985 94 HZ2 LYS 10 HZ2 LYS 10 28.079 11.845 -4.360 95 HZ3 LYS 10 HZ3 LYS 10 28.552 12.154 -5.963 96 H SER 11 HN SER 11 24.728 12.090 -3.141 97 HA SER 11 HA SER 11 21.881 11.465 -3.671 98 HB2 SER 11 HB2 SER 11 21.208 13.850 -3.179 99 HB3 SER 11 HB1 SER 11 21.600 12.884 -1.740 100 HG SER 11 HG SER 11 23.743 13.811 -1.899 101 H LEU 12 HN LEU 12 24.810 13.362 -4.228 102 HA LEU 12 HA LEU 12 23.839 14.648 -6.642 103 HB2 LEU 12 HB2 LEU 12 26.743 14.063 -5.972 104 HB3 LEU 12 HB1 LEU 12 26.077 15.406 -6.930 105 HG LEU 12 HG LEU 12 25.672 14.957 -3.938 106 HD11 LEU 12 HD11 LEU 12 27.951 15.755 -4.718 107 HD12 LEU 12 HD12 LEU 12 27.094 16.898 -3.654 108 HD13 LEU 12 HD13 LEU 12 27.145 17.182 -5.411 109 HD21 LEU 12 HD21 LEU 12 24.695 17.354 -4.161 110 HD22 LEU 12 HD22 LEU 12 23.681 16.012 -4.735 111 HD23 LEU 12 HD23 LEU 12 24.577 17.013 -5.904 112 H LEU 13 HN LEU 13 22.853 12.923 -7.808 113 HA LEU 13 HA LEU 13 24.268 10.563 -8.595 114 HB2 LEU 13 HB2 LEU 13 21.864 10.641 -8.780 115 HB3 LEU 13 HB1 LEU 13 21.932 12.069 -9.833 116 HG LEU 13 HG LEU 13 22.895 10.785 -11.649 117 HD11 LEU 13 HD11 LEU 13 23.183 8.616 -9.532 118 HD12 LEU 13 HD12 LEU 13 24.440 9.312 -10.583 119 HD13 LEU 13 HD13 LEU 13 23.205 8.234 -11.270 120 HD21 LEU 13 HD21 LEU 13 20.666 9.202 -10.288 121 HD22 LEU 13 HD22 LEU 13 21.113 9.090 -12.009 122 HD23 LEU 13 HD23 LEU 13 20.446 10.608 -11.358 Start of MODEL 7 1 H1 LEU 1 HT1 LEU 1 30.125 12.904 0.071 2 H2 LEU 1 HT2 LEU 1 31.405 13.437 -0.913 3 H3 LEU 1 HT3 LEU 1 31.511 11.945 -0.105 4 HA LEU 1 HA LEU 1 29.222 11.718 -1.511 5 HB2 LEU 1 HB2 LEU 1 31.308 13.333 -3.017 6 HB3 LEU 1 HB1 LEU 1 30.158 12.279 -3.873 7 HG LEU 1 HG LEU 1 28.262 13.490 -2.894 8 HD11 LEU 1 HD11 LEU 1 30.460 14.941 -1.370 9 HD12 LEU 1 HD12 LEU 1 29.006 14.138 -0.728 10 HD13 LEU 1 HD13 LEU 1 28.855 15.672 -1.612 11 HD21 LEU 1 HD21 LEU 1 30.378 15.376 -4.028 12 HD22 LEU 1 HD22 LEU 1 28.626 15.686 -3.990 13 HD23 LEU 1 HD23 LEU 1 29.274 14.359 -4.984 14 H LEU 2 HN LEU 2 30.290 9.841 -0.296 15 HA LEU 2 HA LEU 2 32.312 8.429 -2.009 16 HB2 LEU 2 HB2 LEU 2 31.291 7.597 0.734 17 HB3 LEU 2 HB1 LEU 2 32.792 7.101 -0.075 18 HG LEU 2 HG LEU 2 32.134 9.908 0.923 19 HD11 LEU 2 HD11 LEU 2 32.660 8.227 2.692 20 HD12 LEU 2 HD12 LEU 2 33.918 9.479 2.554 21 HD13 LEU 2 HD13 LEU 2 34.190 7.861 1.862 22 HD21 LEU 2 HD21 LEU 2 33.516 10.183 -1.010 23 HD22 LEU 2 HD22 LEU 2 34.493 8.747 -0.617 24 HD23 LEU 2 HD23 LEU 2 34.646 10.226 0.362 25 HA PRO 3 HA PRO 3 29.159 5.735 -3.603 26 HB2 PRO 3 HB2 PRO 3 30.529 3.311 -3.800 27 HB3 PRO 3 HB1 PRO 3 30.700 4.660 -4.967 28 HG2 PRO 3 HG2 PRO 3 32.458 3.922 -2.639 29 HG3 PRO 3 HG1 PRO 3 32.915 4.442 -4.292 30 HD2 PRO 3 HD2 PRO 3 32.986 6.170 -2.200 31 HD3 PRO 3 HD1 PRO 3 32.497 6.712 -3.839 32 H ILE 4 HN ILE 4 30.967 4.903 -0.706 33 HA ILE 4 HA ILE 4 29.067 2.827 0.156 34 HB ILE 4 HB ILE 4 31.114 4.293 1.878 35 HG12 ILE 4 HG12 ILE 4 31.476 1.877 0.045 36 HG13 ILE 4 HG11 ILE 4 32.254 3.466 -0.136 37 HG21 ILE 4 HG21 ILE 4 29.311 2.753 2.889 38 HG22 ILE 4 HG22 ILE 4 30.998 2.347 3.274 39 HG23 ILE 4 HG23 ILE 4 30.120 1.418 2.035 40 HD11 ILE 4 HD1 ILE 4 33.909 2.132 0.921 41 HD12 ILE 4 HD2 ILE 4 32.725 1.361 2.001 42 HD13 ILE 4 HD3 ILE 4 33.193 3.060 2.260 43 H VAL 5 HN VAL 5 30.029 6.058 1.415 44 HA VAL 5 HA VAL 5 27.312 6.932 1.748 45 HB VAL 5 HB VAL 5 27.352 5.217 3.581 46 HG11 VAL 5 HG11 VAL 5 28.833 5.324 5.407 47 HG12 VAL 5 HG12 VAL 5 29.257 7.024 5.109 48 HG13 VAL 5 HG13 VAL 5 29.899 5.745 4.048 49 HG21 VAL 5 HG21 VAL 5 26.442 6.724 5.306 50 HG22 VAL 5 HG22 VAL 5 25.922 7.255 3.690 51 HG23 VAL 5 HG23 VAL 5 27.232 8.117 4.531 52 H GLY 6 HN GLY 6 27.553 9.015 1.353 53 HA2 GLY 6 HA1 GLY 6 30.084 10.376 2.022 54 HA3 GLY 6 HA2 GLY 6 28.708 11.047 1.125 55 H ASN 7 HN ASN 7 26.606 10.735 2.790 56 HA ASN 7 HA ASN 7 27.222 11.590 5.507 57 HB2 ASN 7 HB2 ASN 7 27.699 13.685 4.172 58 HB3 ASN 7 HB1 ASN 7 25.994 13.676 3.661 59 HD21 ASN 7 HD21 ASN 7 24.399 14.408 5.143 60 HD22 ASN 7 HD22 ASN 7 24.796 14.962 6.773 61 H LEU 8 HN LEU 8 25.201 10.666 2.922 62 HA LEU 8 HA LEU 8 23.149 9.700 4.705 63 HB2 LEU 8 HB2 LEU 8 22.665 12.230 4.575 64 HB3 LEU 8 HB1 LEU 8 22.254 11.951 2.870 65 HG LEU 8 HG LEU 8 20.694 10.024 3.845 66 HD11 LEU 8 HD11 LEU 8 21.405 10.135 6.183 67 HD12 LEU 8 HD12 LEU 8 19.729 10.711 6.071 68 HD13 LEU 8 HD13 LEU 8 21.058 11.879 6.246 69 HD21 LEU 8 HD21 LEU 8 18.843 11.684 4.093 70 HD22 LEU 8 HD22 LEU 8 19.851 12.007 2.662 71 HD23 LEU 8 HD23 LEU 8 20.047 12.994 4.130 72 H LEU 9 HN LEU 9 24.716 8.408 2.925 73 HA LEU 9 HA LEU 9 24.578 6.904 1.178 74 HB2 LEU 9 HB2 LEU 9 22.221 6.595 2.273 75 HB3 LEU 9 HB1 LEU 9 21.621 7.527 0.885 76 HG LEU 9 HG LEU 9 23.055 5.784 -0.541 77 HD11 LEU 9 HD11 LEU 9 24.131 4.622 1.329 78 HD12 LEU 9 HD12 LEU 9 23.000 3.510 0.529 79 HD13 LEU 9 HD13 LEU 9 22.550 4.277 2.068 80 HD21 LEU 9 HD21 LEU 9 20.591 6.017 -0.637 81 HD22 LEU 9 HD22 LEU 9 20.436 5.013 0.826 82 HD23 LEU 9 HD23 LEU 9 21.070 4.303 -0.678 83 H LYS 10 HN LYS 10 25.118 9.750 0.762 84 HA LYS 10 HA LYS 10 23.818 10.485 -1.765 85 HB2 LYS 10 HB2 LYS 10 26.184 11.626 -0.229 86 HB3 LYS 10 HB1 LYS 10 25.556 12.320 -1.744 87 HG2 LYS 10 HG2 LYS 10 23.419 12.794 -0.755 88 HG3 LYS 10 HG1 LYS 10 23.789 11.815 0.684 89 HD2 LYS 10 HD2 LYS 10 24.014 14.259 1.132 90 HD3 LYS 10 HD1 LYS 10 25.554 13.394 1.344 91 HE2 LYS 10 HE2 LYS 10 26.445 14.235 -0.687 92 HE3 LYS 10 HE1 LYS 10 24.841 14.692 -1.312 93 HZ1 LYS 10 HZ1 LYS 10 25.245 16.009 1.127 94 HZ2 LYS 10 HZ2 LYS 10 25.118 16.685 -0.426 95 HZ3 LYS 10 HZ3 LYS 10 26.639 16.241 0.188 96 H SER 11 HN SER 11 24.823 10.683 -3.803 97 HA SER 11 HA SER 11 26.028 9.758 -5.560 98 HB2 SER 11 HB2 SER 11 28.293 9.928 -3.535 99 HB3 SER 11 HB1 SER 11 28.470 9.801 -5.299 100 HG SER 11 HG SER 11 26.806 11.775 -4.891 101 H LEU 12 HN LEU 12 25.006 7.748 -5.700 102 HA LEU 12 HA LEU 12 25.912 5.495 -4.072 103 HB2 LEU 12 HB2 LEU 12 24.377 5.323 -6.688 104 HB3 LEU 12 HB1 LEU 12 24.342 4.203 -5.305 105 HG LEU 12 HG LEU 12 23.300 7.073 -5.325 106 HD11 LEU 12 HD11 LEU 12 21.097 5.956 -5.019 107 HD12 LEU 12 HD12 LEU 12 21.892 4.369 -5.163 108 HD13 LEU 12 HD13 LEU 12 21.869 5.484 -6.551 109 HD21 LEU 12 HD21 LEU 12 23.547 4.964 -3.137 110 HD22 LEU 12 HD22 LEU 12 22.367 6.294 -3.037 111 HD23 LEU 12 HD23 LEU 12 24.106 6.653 -3.109 112 H LEU 13 HN LEU 13 26.220 6.392 -7.539 113 HA LEU 13 HA LEU 13 28.944 5.379 -7.634 114 HB2 LEU 13 HB2 LEU 13 28.229 3.651 -9.520 115 HB3 LEU 13 HB1 LEU 13 28.161 3.180 -7.807 116 HG LEU 13 HG LEU 13 25.766 3.664 -7.712 117 HD11 LEU 13 HD11 LEU 13 25.487 5.537 -9.171 118 HD12 LEU 13 HD12 LEU 13 24.611 4.208 -9.963 119 HD13 LEU 13 HD13 LEU 13 26.225 4.680 -10.546 120 HD21 LEU 13 HD21 LEU 13 26.467 2.060 -10.212 121 HD22 LEU 13 HD22 LEU 13 24.970 1.922 -9.260 122 HD23 LEU 13 HD23 LEU 13 26.527 1.438 -8.546 Start of MODEL 8 1 H1 LEU 1 HT1 LEU 1 29.344 8.847 -5.560 2 H2 LEU 1 HT2 LEU 1 29.253 10.473 -5.076 3 H3 LEU 1 HT3 LEU 1 27.833 9.594 -5.383 4 HA LEU 1 HA LEU 1 28.893 10.006 -2.985 5 HB2 LEU 1 HB2 LEU 1 27.279 8.433 -2.198 6 HB3 LEU 1 HB1 LEU 1 26.601 9.149 -3.674 7 HG LEU 1 HG LEU 1 27.928 6.411 -3.399 8 HD11 LEU 1 HD11 LEU 1 25.126 7.188 -4.299 9 HD12 LEU 1 HD12 LEU 1 25.533 6.734 -2.626 10 HD13 LEU 1 HD13 LEU 1 25.736 5.555 -3.946 11 HD21 LEU 1 HD21 LEU 1 28.620 7.186 -5.552 12 HD22 LEU 1 HD22 LEU 1 27.073 8.014 -5.846 13 HD23 LEU 1 HD23 LEU 1 27.154 6.237 -5.876 14 H LEU 2 HN LEU 2 29.540 8.360 -1.306 15 HA LEU 2 HA LEU 2 31.978 6.987 -2.298 16 HB2 LEU 2 HB2 LEU 2 30.847 7.759 0.406 17 HB3 LEU 2 HB1 LEU 2 32.147 6.551 0.312 18 HG LEU 2 HG LEU 2 33.560 8.161 -0.931 19 HD11 LEU 2 HD11 LEU 2 31.110 9.942 -0.606 20 HD12 LEU 2 HD12 LEU 2 31.943 9.486 -2.112 21 HD13 LEU 2 HD13 LEU 2 32.729 10.591 -0.962 22 HD21 LEU 2 HD21 LEU 2 33.543 8.074 1.593 23 HD22 LEU 2 HD22 LEU 2 32.384 9.426 1.584 24 HD23 LEU 2 HD23 LEU 2 34.026 9.656 0.936 25 HA PRO 3 HA PRO 3 30.209 2.930 -2.361 26 HB2 PRO 3 HB2 PRO 3 32.276 1.373 -1.307 27 HB3 PRO 3 HB1 PRO 3 32.240 1.997 -2.987 28 HG2 PRO 3 HG2 PRO 3 33.662 3.103 -0.577 29 HG3 PRO 3 HG1 PRO 3 34.236 2.945 -2.266 30 HD2 PRO 3 HD2 PRO 3 33.356 5.324 -1.286 31 HD3 PRO 3 HD1 PRO 3 33.050 4.843 -2.987 32 H ILE 4 HN ILE 4 31.588 4.218 0.606 33 HA ILE 4 HA ILE 4 30.075 2.270 2.293 34 HB ILE 4 HB ILE 4 31.780 4.622 3.225 35 HG12 ILE 4 HG12 ILE 4 32.610 1.735 2.663 36 HG13 ILE 4 HG11 ILE 4 33.117 3.161 1.730 37 HG21 ILE 4 HG21 ILE 4 31.178 1.965 4.592 38 HG22 ILE 4 HG22 ILE 4 30.147 3.401 4.799 39 HG23 ILE 4 HG23 ILE 4 31.847 3.446 5.316 40 HD11 ILE 4 HD1 ILE 4 33.993 4.088 4.004 41 HD12 ILE 4 HD2 ILE 4 34.921 2.786 3.223 42 HD13 ILE 4 HD3 ILE 4 33.836 2.412 4.582 43 H VAL 5 HN VAL 5 30.570 5.826 2.456 44 HA VAL 5 HA VAL 5 27.783 6.458 2.137 45 HB VAL 5 HB VAL 5 27.553 5.363 4.347 46 HG11 VAL 5 HG11 VAL 5 29.983 5.941 5.010 47 HG12 VAL 5 HG12 VAL 5 28.745 6.070 6.281 48 HG13 VAL 5 HG13 VAL 5 29.354 7.536 5.482 49 HG21 VAL 5 HG21 VAL 5 27.355 8.401 4.593 50 HG22 VAL 5 HG22 VAL 5 26.393 7.186 5.467 51 HG23 VAL 5 HG23 VAL 5 26.186 7.390 3.712 52 H GLY 6 HN GLY 6 27.723 8.486 1.446 53 HA2 GLY 6 HA1 GLY 6 30.113 10.173 1.738 54 HA3 GLY 6 HA2 GLY 6 28.641 10.546 0.818 55 H ASN 7 HN ASN 7 26.616 10.588 2.456 56 HA ASN 7 HA ASN 7 27.277 11.943 4.999 57 HB2 ASN 7 HB2 ASN 7 27.495 13.786 3.342 58 HB3 ASN 7 HB1 ASN 7 25.844 13.448 2.768 59 HD21 ASN 7 HD21 ASN 7 24.293 14.773 3.693 60 HD22 ASN 7 HD22 ASN 7 24.407 15.465 5.314 61 H LEU 8 HN LEU 8 25.119 10.638 2.617 62 HA LEU 8 HA LEU 8 23.351 9.519 4.582 63 HB2 LEU 8 HB2 LEU 8 22.642 11.983 4.626 64 HB3 LEU 8 HB1 LEU 8 22.130 11.771 2.939 65 HG LEU 8 HG LEU 8 20.762 9.707 3.864 66 HD11 LEU 8 HD11 LEU 8 19.945 10.166 6.226 67 HD12 LEU 8 HD12 LEU 8 21.279 11.328 6.402 68 HD13 LEU 8 HD13 LEU 8 21.627 9.604 6.130 69 HD21 LEU 8 HD21 LEU 8 19.746 11.772 2.956 70 HD22 LEU 8 HD22 LEU 8 19.962 12.578 4.528 71 HD23 LEU 8 HD23 LEU 8 18.846 11.199 4.380 72 H LEU 9 HN LEU 9 24.716 8.267 2.732 73 HA LEU 9 HA LEU 9 24.531 6.838 0.919 74 HB2 LEU 9 HB2 LEU 9 21.539 7.370 0.938 75 HB3 LEU 9 HB1 LEU 9 22.399 5.911 0.393 76 HG LEU 9 HG LEU 9 22.174 6.934 3.259 77 HD11 LEU 9 HD11 LEU 9 21.216 4.337 1.983 78 HD12 LEU 9 HD12 LEU 9 20.178 5.762 2.235 79 HD13 LEU 9 HD13 LEU 9 20.880 4.912 3.633 80 HD21 LEU 9 HD21 LEU 9 23.347 4.664 3.723 81 HD22 LEU 9 HD22 LEU 9 24.362 5.985 3.103 82 HD23 LEU 9 HD23 LEU 9 23.814 4.694 2.005 83 H LYS 10 HN LYS 10 24.702 9.845 0.699 84 HA LYS 10 HA LYS 10 24.383 9.936 -2.239 85 HB2 LYS 10 HB2 LYS 10 22.824 11.794 -0.391 86 HB3 LYS 10 HB1 LYS 10 23.096 12.105 -2.122 87 HG2 LYS 10 HG2 LYS 10 22.061 9.773 -2.543 88 HG3 LYS 10 HG1 LYS 10 21.533 9.826 -0.844 89 HD2 LYS 10 HD2 LYS 10 20.281 11.889 -1.253 90 HD3 LYS 10 HD1 LYS 10 20.877 11.954 -2.928 91 HE2 LYS 10 HE2 LYS 10 18.570 11.002 -2.779 92 HE3 LYS 10 HE1 LYS 10 19.740 9.842 -3.451 93 HZ1 LYS 10 HZ1 LYS 10 19.647 9.678 -0.611 94 HZ2 LYS 10 HZ2 LYS 10 19.370 8.465 -1.768 95 HZ3 LYS 10 HZ3 LYS 10 18.097 9.470 -1.265 96 H SER 11 HN SER 11 25.407 11.820 -3.185 97 HA SER 11 HA SER 11 27.819 12.540 -1.692 98 HB2 SER 11 HB2 SER 11 28.463 13.707 -3.724 99 HB3 SER 11 HB1 SER 11 27.768 12.131 -4.163 100 HG SER 11 HG SER 11 26.638 13.445 -5.425 101 H LEU 12 HN LEU 12 24.875 13.507 -1.058 102 HA LEU 12 HA LEU 12 25.053 16.395 -1.303 103 HB2 LEU 12 HB2 LEU 12 22.924 15.003 -1.087 104 HB3 LEU 12 HB1 LEU 12 23.337 14.798 0.628 105 HG LEU 12 HG LEU 12 23.527 17.443 0.638 106 HD11 LEU 12 HD11 LEU 12 21.807 16.918 -1.831 107 HD12 LEU 12 HD12 LEU 12 23.310 17.867 -1.751 108 HD13 LEU 12 HD13 LEU 12 21.842 18.462 -0.952 109 HD21 LEU 12 HD21 LEU 12 21.094 17.610 1.139 110 HD22 LEU 12 HD22 LEU 12 21.825 16.170 1.886 111 HD23 LEU 12 HD23 LEU 12 20.844 16.006 0.410 112 H LEU 13 HN LEU 13 27.161 16.835 -0.438 113 HA LEU 13 HA LEU 13 27.905 16.143 2.248 114 HB2 LEU 13 HB2 LEU 13 28.757 18.518 0.545 115 HB3 LEU 13 HB1 LEU 13 29.597 17.936 1.998 116 HG LEU 13 HG LEU 13 29.075 16.072 -0.357 117 HD11 LEU 13 HD11 LEU 13 31.454 17.944 0.025 118 HD12 LEU 13 HD12 LEU 13 30.248 18.025 -1.282 119 HD13 LEU 13 HD13 LEU 13 31.359 16.637 -1.180 120 HD21 LEU 13 HD21 LEU 13 29.827 14.962 1.673 121 HD22 LEU 13 HD22 LEU 13 31.114 16.165 1.920 122 HD23 LEU 13 HD23 LEU 13 31.207 15.026 0.558 Start of MODEL 9 1 H1 LEU 1 HT1 LEU 1 32.175 12.347 0.844 2 H2 LEU 1 HT2 LEU 1 30.940 11.455 1.596 3 H3 LEU 1 HT3 LEU 1 30.855 13.152 1.541 4 HA LEU 1 HA LEU 1 29.365 12.197 -0.043 5 HB2 LEU 1 HB2 LEU 1 31.739 13.339 -1.553 6 HB3 LEU 1 HB1 LEU 1 30.004 13.547 -1.888 7 HG LEU 1 HG LEU 1 31.531 14.651 0.512 8 HD11 LEU 1 HD11 LEU 1 30.154 16.043 -1.827 9 HD12 LEU 1 HD12 LEU 1 31.912 15.815 -1.668 10 HD13 LEU 1 HD13 LEU 1 31.036 16.833 -0.500 11 HD21 LEU 1 HD21 LEU 1 29.327 14.136 1.295 12 HD22 LEU 1 HD22 LEU 1 28.577 14.649 -0.236 13 HD23 LEU 1 HD23 LEU 1 29.271 15.861 0.868 14 H LEU 2 HN LEU 2 30.872 9.903 0.749 15 HA LEU 2 HA LEU 2 32.008 8.769 -1.739 16 HB2 LEU 2 HB2 LEU 2 31.677 7.804 1.120 17 HB3 LEU 2 HB1 LEU 2 32.157 6.682 -0.174 18 HG LEU 2 HG LEU 2 34.110 8.058 -0.704 19 HD11 LEU 2 HD11 LEU 2 34.619 10.004 0.931 20 HD12 LEU 2 HD12 LEU 2 32.895 9.932 1.364 21 HD13 LEU 2 HD13 LEU 2 33.380 10.294 -0.310 22 HD21 LEU 2 HD21 LEU 2 34.187 6.368 1.182 23 HD22 LEU 2 HD22 LEU 2 33.909 7.708 2.320 24 HD23 LEU 2 HD23 LEU 2 35.388 7.674 1.330 25 HA PRO 3 HA PRO 3 28.172 6.843 -2.934 26 HB2 PRO 3 HB2 PRO 3 29.008 4.810 -4.530 27 HB3 PRO 3 HB1 PRO 3 29.270 6.525 -4.988 28 HG2 PRO 3 HG2 PRO 3 31.193 4.589 -3.701 29 HG3 PRO 3 HG1 PRO 3 31.457 5.698 -5.086 30 HD2 PRO 3 HD2 PRO 3 32.230 6.329 -2.516 31 HD3 PRO 3 HD1 PRO 3 31.726 7.568 -3.713 32 H ILE 4 HN ILE 4 29.344 6.057 -0.315 33 HA ILE 4 HA ILE 4 27.976 3.409 -0.082 34 HB ILE 4 HB ILE 4 30.691 3.862 1.227 35 HG12 ILE 4 HG12 ILE 4 30.046 2.503 -1.431 36 HG13 ILE 4 HG11 ILE 4 31.048 3.955 -1.198 37 HG21 ILE 4 HG21 ILE 4 30.590 1.526 1.704 38 HG22 ILE 4 HG22 ILE 4 29.271 1.258 0.538 39 HG23 ILE 4 HG23 ILE 4 28.955 2.128 2.058 40 HD11 ILE 4 HD1 ILE 4 32.516 2.480 0.347 41 HD12 ILE 4 HD2 ILE 4 32.613 2.174 -1.403 42 HD13 ILE 4 HD3 ILE 4 31.652 1.096 -0.365 43 H VAL 5 HN VAL 5 29.728 6.036 1.641 44 HA VAL 5 HA VAL 5 27.437 6.308 3.493 45 HB VAL 5 HB VAL 5 28.940 6.140 5.527 46 HG11 VAL 5 HG11 VAL 5 27.382 4.288 4.702 47 HG12 VAL 5 HG12 VAL 5 28.738 3.750 5.718 48 HG13 VAL 5 HG13 VAL 5 28.810 3.535 3.954 49 HG21 VAL 5 HG21 VAL 5 30.816 4.906 3.460 50 HG22 VAL 5 HG22 VAL 5 31.033 4.773 5.222 51 HG23 VAL 5 HG23 VAL 5 31.114 6.367 4.432 52 H GLY 6 HN GLY 6 28.244 8.096 1.596 53 HA2 GLY 6 HA1 GLY 6 30.152 10.011 2.725 54 HA3 GLY 6 HA2 GLY 6 29.138 10.232 1.283 55 H ASN 7 HN ASN 7 27.329 11.431 1.396 56 HA ASN 7 HA ASN 7 26.705 12.665 4.051 57 HB2 ASN 7 HB2 ASN 7 27.056 14.094 1.994 58 HB3 ASN 7 HB1 ASN 7 25.599 13.348 1.297 59 HD21 ASN 7 HD21 ASN 7 24.964 15.823 1.420 60 HD22 ASN 7 HD22 ASN 7 24.160 16.315 2.915 61 H LEU 8 HN LEU 8 26.069 10.070 4.074 62 HA LEU 8 HA LEU 8 24.312 8.643 4.541 63 HB2 LEU 8 HB2 LEU 8 22.380 10.957 4.134 64 HB3 LEU 8 HB1 LEU 8 22.160 9.496 5.119 65 HG LEU 8 HG LEU 8 24.088 11.796 5.661 66 HD11 LEU 8 HD11 LEU 8 22.739 12.049 7.707 67 HD12 LEU 8 HD12 LEU 8 21.727 10.668 7.226 68 HD13 LEU 8 HD13 LEU 8 21.704 12.165 6.265 69 HD21 LEU 8 HD21 LEU 8 23.808 9.039 6.928 70 HD22 LEU 8 HD22 LEU 8 24.509 10.415 7.816 71 HD23 LEU 8 HD23 LEU 8 25.284 9.832 6.325 72 H LEU 9 HN LEU 9 25.067 7.825 2.450 73 HA LEU 9 HA LEU 9 24.576 6.918 0.381 74 HB2 LEU 9 HB2 LEU 9 21.703 7.849 0.728 75 HB3 LEU 9 HB1 LEU 9 22.313 6.472 -0.215 76 HG LEU 9 HG LEU 9 22.305 6.743 2.823 77 HD11 LEU 9 HD11 LEU 9 20.954 4.731 0.974 78 HD12 LEU 9 HD12 LEU 9 20.142 6.155 1.670 79 HD13 LEU 9 HD13 LEU 9 20.754 4.868 2.736 80 HD21 LEU 9 HD21 LEU 9 23.152 4.299 2.638 81 HD22 LEU 9 HD22 LEU 9 24.334 5.584 2.305 82 HD23 LEU 9 HD23 LEU 9 23.579 4.698 0.957 83 H LYS 10 HN LYS 10 25.210 9.832 0.895 84 HA LYS 10 HA LYS 10 25.512 11.717 -0.408 85 HB2 LYS 10 HB2 LYS 10 26.223 9.848 -2.045 86 HB3 LYS 10 HB1 LYS 10 24.641 10.079 -2.816 87 HG2 LYS 10 HG2 LYS 10 25.155 12.385 -3.360 88 HG3 LYS 10 HG1 LYS 10 26.615 12.360 -2.346 89 HD2 LYS 10 HD2 LYS 10 27.258 12.131 -4.695 90 HD3 LYS 10 HD1 LYS 10 27.593 10.611 -3.836 91 HE2 LYS 10 HE2 LYS 10 25.740 9.504 -4.822 92 HE3 LYS 10 HE1 LYS 10 24.960 11.035 -5.297 93 HZ1 LYS 10 HZ1 LYS 10 27.626 10.504 -6.372 94 HZ2 LYS 10 HZ2 LYS 10 26.285 11.250 -7.100 95 HZ3 LYS 10 HZ3 LYS 10 26.358 9.556 -6.980 96 H SER 11 HN SER 11 23.604 11.501 -3.088 97 HA SER 11 HA SER 11 21.677 12.666 -3.659 98 HB2 SER 11 HB2 SER 11 20.645 11.347 -1.118 99 HB3 SER 11 HB1 SER 11 19.653 11.992 -2.445 100 HG SER 11 HG SER 11 20.391 10.404 -3.760 101 H LEU 12 HN LEU 12 22.717 14.728 -3.257 102 HA LEU 12 HA LEU 12 22.607 16.086 -0.758 103 HB2 LEU 12 HB2 LEU 12 22.696 17.011 -3.643 104 HB3 LEU 12 HB1 LEU 12 22.610 18.189 -2.319 105 HG LEU 12 HG LEU 12 24.954 17.628 -3.168 106 HD11 LEU 12 HD11 LEU 12 25.946 17.856 -1.041 107 HD12 LEU 12 HD12 LEU 12 24.712 16.872 -0.232 108 HD13 LEU 12 HD13 LEU 12 24.317 18.514 -0.786 109 HD21 LEU 12 HD21 LEU 12 24.469 15.156 -3.424 110 HD22 LEU 12 HD22 LEU 12 24.525 15.014 -1.651 111 HD23 LEU 12 HD23 LEU 12 25.973 15.525 -2.549 112 H LEU 13 HN LEU 13 20.082 15.010 -2.705 113 HA LEU 13 HA LEU 13 18.235 17.209 -2.334 114 HB2 LEU 13 HB2 LEU 13 17.840 15.646 -4.124 115 HB3 LEU 13 HB1 LEU 13 17.867 14.264 -3.007 116 HG LEU 13 HG LEU 13 15.777 14.950 -1.986 117 HD11 LEU 13 HD11 LEU 13 16.193 17.495 -3.601 118 HD12 LEU 13 HD12 LEU 13 15.934 17.327 -1.848 119 HD13 LEU 13 HD13 LEU 13 14.591 17.035 -2.976 120 HD21 LEU 13 HD21 LEU 13 15.648 13.748 -4.165 121 HD22 LEU 13 HD22 LEU 13 15.590 15.315 -5.009 122 HD23 LEU 13 HD23 LEU 13 14.262 14.838 -3.924 Start of MODEL 10 1 H1 LEU 1 HT1 LEU 1 28.645 7.868 -5.244 2 H2 LEU 1 HT2 LEU 1 26.991 7.486 -5.332 3 H3 LEU 1 HT3 LEU 1 28.160 6.269 -5.529 4 HA LEU 1 HA LEU 1 27.799 7.848 -3.071 5 HB2 LEU 1 HB2 LEU 1 26.843 5.650 -2.191 6 HB3 LEU 1 HB1 LEU 1 25.794 6.580 -3.281 7 HG LEU 1 HG LEU 1 27.621 4.537 -4.572 8 HD11 LEU 1 HD11 LEU 1 26.772 3.285 -2.629 9 HD12 LEU 1 HD12 LEU 1 25.997 2.712 -4.125 10 HD13 LEU 1 HD13 LEU 1 25.108 3.782 -3.015 11 HD21 LEU 1 HD21 LEU 1 25.631 4.211 -6.015 12 HD22 LEU 1 HD22 LEU 1 26.056 5.934 -5.919 13 HD23 LEU 1 HD23 LEU 1 24.689 5.303 -4.975 14 H LEU 2 HN LEU 2 29.254 7.430 -1.495 15 HA LEU 2 HA LEU 2 31.682 6.000 -2.291 16 HB2 LEU 2 HB2 LEU 2 30.768 7.558 0.145 17 HB3 LEU 2 HB1 LEU 2 32.270 6.611 0.206 18 HG LEU 2 HG LEU 2 33.188 7.852 -1.688 19 HD11 LEU 2 HD11 LEU 2 30.419 9.119 -1.749 20 HD12 LEU 2 HD12 LEU 2 31.262 8.258 -3.059 21 HD13 LEU 2 HD13 LEU 2 31.828 9.863 -2.541 22 HD21 LEU 2 HD21 LEU 2 33.450 10.012 -0.629 23 HD22 LEU 2 HD22 LEU 2 33.283 8.808 0.672 24 HD23 LEU 2 HD23 LEU 2 31.901 9.841 0.230 25 HA PRO 3 HA PRO 3 30.625 2.092 -0.462 26 HB2 PRO 3 HB2 PRO 3 33.074 1.042 0.160 27 HB3 PRO 3 HB1 PRO 3 32.539 1.276 -1.536 28 HG2 PRO 3 HG2 PRO 3 34.319 3.025 0.153 29 HG3 PRO 3 HG1 PRO 3 34.536 2.487 -1.543 30 HD2 PRO 3 HD2 PRO 3 33.533 4.965 -0.909 31 HD3 PRO 3 HD1 PRO 3 33.032 4.071 -2.382 32 H ILE 4 HN ILE 4 31.022 4.651 1.275 33 HA ILE 4 HA ILE 4 30.768 3.231 3.857 34 HB ILE 4 HB ILE 4 32.461 4.721 4.974 35 HG12 ILE 4 HG12 ILE 4 33.204 5.357 2.079 36 HG13 ILE 4 HG11 ILE 4 32.532 6.500 3.265 37 HG21 ILE 4 HG21 ILE 4 32.926 2.328 4.138 38 HG22 ILE 4 HG22 ILE 4 34.349 3.357 4.412 39 HG23 ILE 4 HG23 ILE 4 33.756 3.083 2.755 40 HD11 ILE 4 HD1 ILE 4 34.867 6.919 3.329 41 HD12 ILE 4 HD2 ILE 4 35.270 5.189 3.242 42 HD13 ILE 4 HD3 ILE 4 34.588 5.872 4.739 43 H VAL 5 HN VAL 5 29.182 4.916 1.955 44 HA VAL 5 HA VAL 5 27.614 6.612 2.113 45 HB VAL 5 HB VAL 5 28.123 6.618 5.118 46 HG11 VAL 5 HG11 VAL 5 25.591 7.079 3.480 47 HG12 VAL 5 HG12 VAL 5 26.638 8.385 4.084 48 HG13 VAL 5 HG13 VAL 5 25.795 7.319 5.231 49 HG21 VAL 5 HG21 VAL 5 26.278 4.871 5.152 50 HG22 VAL 5 HG22 VAL 5 27.827 4.297 4.488 51 HG23 VAL 5 HG23 VAL 5 26.487 4.711 3.391 52 H GLY 6 HN GLY 6 28.050 8.563 1.344 53 HA2 GLY 6 HA1 GLY 6 30.412 10.033 2.194 54 HA3 GLY 6 HA2 GLY 6 29.175 10.577 1.043 55 H ASN 7 HN ASN 7 26.877 10.505 2.532 56 HA ASN 7 HA ASN 7 27.358 12.032 5.039 57 HB2 ASN 7 HB2 ASN 7 27.414 13.726 3.175 58 HB3 ASN 7 HB1 ASN 7 25.761 13.232 2.740 59 HD21 ASN 7 HD21 ASN 7 27.739 14.928 5.163 60 HD22 ASN 7 HD22 ASN 7 26.371 15.590 6.063 61 H LEU 8 HN LEU 8 25.150 10.705 2.611 62 HA LEU 8 HA LEU 8 23.591 9.326 4.601 63 HB2 LEU 8 HB2 LEU 8 22.859 11.939 4.570 64 HB3 LEU 8 HB1 LEU 8 21.871 11.385 3.202 65 HG LEU 8 HG LEU 8 21.868 10.137 5.995 66 HD11 LEU 8 HD11 LEU 8 19.639 11.179 6.202 67 HD12 LEU 8 HD12 LEU 8 19.830 11.925 4.597 68 HD13 LEU 8 HD13 LEU 8 20.890 12.418 5.940 69 HD21 LEU 8 HD21 LEU 8 20.172 9.656 3.501 70 HD22 LEU 8 HD22 LEU 8 19.806 8.994 5.111 71 HD23 LEU 8 HD23 LEU 8 21.291 8.503 4.265 72 H LEU 9 HN LEU 9 24.992 8.473 2.457 73 HA LEU 9 HA LEU 9 24.712 7.008 0.688 74 HB2 LEU 9 HB2 LEU 9 22.294 6.781 1.947 75 HB3 LEU 9 HB1 LEU 9 21.743 7.454 0.401 76 HG LEU 9 HG LEU 9 23.522 4.983 0.698 77 HD11 LEU 9 HD11 LEU 9 20.540 5.302 0.153 78 HD12 LEU 9 HD12 LEU 9 21.296 4.504 1.553 79 HD13 LEU 9 HD13 LEU 9 21.439 3.783 -0.068 80 HD21 LEU 9 HD21 LEU 9 22.124 6.279 -1.686 81 HD22 LEU 9 HD22 LEU 9 22.893 4.676 -1.723 82 HD23 LEU 9 HD23 LEU 9 23.879 6.129 -1.434 83 H LYS 10 HN LYS 10 25.202 9.859 0.514 84 HA LYS 10 HA LYS 10 25.259 11.563 -1.059 85 HB2 LYS 10 HB2 LYS 10 26.349 9.501 -2.204 86 HB3 LYS 10 HB1 LYS 10 24.858 9.405 -3.163 87 HG2 LYS 10 HG2 LYS 10 25.213 11.818 -3.835 88 HG3 LYS 10 HG1 LYS 10 26.773 11.777 -2.981 89 HD2 LYS 10 HD2 LYS 10 27.436 9.816 -4.422 90 HD3 LYS 10 HD1 LYS 10 25.936 10.053 -5.351 91 HE2 LYS 10 HE2 LYS 10 28.263 11.992 -5.048 92 HE3 LYS 10 HE1 LYS 10 27.674 11.224 -6.540 93 HZ1 LYS 10 HZ1 LYS 10 25.516 12.399 -6.107 94 HZ2 LYS 10 HZ2 LYS 10 26.821 13.412 -6.505 95 HZ3 LYS 10 HZ3 LYS 10 26.304 13.282 -4.891 96 H SER 11 HN SER 11 23.755 10.682 -3.803 97 HA SER 11 HA SER 11 21.759 11.376 -4.761 98 HB2 SER 11 HB2 SER 11 20.522 10.531 -2.115 99 HB3 SER 11 HB1 SER 11 19.729 10.607 -3.704 100 HG SER 11 HG SER 11 20.335 8.512 -3.443 101 H LEU 12 HN LEU 12 22.690 13.590 -4.546 102 HA LEU 12 HA LEU 12 21.880 15.315 -2.391 103 HB2 LEU 12 HB2 LEU 12 22.834 15.781 -5.235 104 HB3 LEU 12 HB1 LEU 12 22.357 17.139 -4.190 105 HG LEU 12 HG LEU 12 24.025 16.500 -2.519 106 HD11 LEU 12 HD11 LEU 12 24.432 14.114 -4.366 107 HD12 LEU 12 HD12 LEU 12 24.080 14.117 -2.621 108 HD13 LEU 12 HD13 LEU 12 25.679 14.626 -3.203 109 HD21 LEU 12 HD21 LEU 12 24.732 17.933 -4.424 110 HD22 LEU 12 HD22 LEU 12 25.196 16.478 -5.339 111 HD23 LEU 12 HD23 LEU 12 26.069 16.910 -3.850 112 H LEU 13 HN LEU 13 20.602 14.894 -5.727 113 HA LEU 13 HA LEU 13 18.330 16.641 -5.218 114 HB2 LEU 13 HB2 LEU 13 19.073 14.687 -7.422 115 HB3 LEU 13 HB1 LEU 13 17.499 15.516 -7.408 116 HG LEU 13 HG LEU 13 18.583 17.699 -7.442 117 HD11 LEU 13 HD11 LEU 13 21.164 17.707 -7.747 118 HD12 LEU 13 HD12 LEU 13 21.120 16.055 -7.086 119 HD13 LEU 13 HD13 LEU 13 20.537 17.424 -6.107 120 HD21 LEU 13 HD21 LEU 13 19.711 17.556 -9.644 121 HD22 LEU 13 HD22 LEU 13 18.258 16.529 -9.606 122 HD23 LEU 13 HD23 LEU 13 19.872 15.795 -9.450 Start of MODEL 11 1 H1 LEU 1 HT1 LEU 1 24.678 7.440 -1.556 2 H2 LEU 1 HT2 LEU 1 25.903 8.490 -2.087 3 H3 LEU 1 HT3 LEU 1 26.284 7.171 -1.086 4 HA LEU 1 HA LEU 1 25.191 5.822 -2.996 5 HB2 LEU 1 HB2 LEU 1 26.429 8.143 -4.514 6 HB3 LEU 1 HB1 LEU 1 25.455 6.796 -5.147 7 HG LEU 1 HG LEU 1 24.471 9.034 -3.320 8 HD11 LEU 1 HD11 LEU 1 23.154 9.716 -5.272 9 HD12 LEU 1 HD12 LEU 1 23.783 8.340 -6.211 10 HD13 LEU 1 HD13 LEU 1 24.876 9.653 -5.713 11 HD21 LEU 1 HD21 LEU 1 23.221 7.080 -2.726 12 HD22 LEU 1 HD22 LEU 1 23.145 6.517 -4.413 13 HD23 LEU 1 HD23 LEU 1 22.198 7.936 -3.901 14 H LEU 2 HN LEU 2 27.870 7.513 -1.684 15 HA LEU 2 HA LEU 2 29.934 6.169 -3.239 16 HB2 LEU 2 HB2 LEU 2 30.286 7.375 -0.474 17 HB3 LEU 2 HB1 LEU 2 31.475 7.258 -1.792 18 HG LEU 2 HG LEU 2 28.964 8.989 -1.763 19 HD11 LEU 2 HD11 LEU 2 30.956 9.738 -0.390 20 HD12 LEU 2 HD12 LEU 2 30.515 10.852 -1.707 21 HD13 LEU 2 HD13 LEU 2 31.909 9.762 -1.892 22 HD21 LEU 2 HD21 LEU 2 29.253 8.279 -4.032 23 HD22 LEU 2 HD22 LEU 2 31.027 8.385 -3.923 24 HD23 LEU 2 HD23 LEU 2 30.043 9.869 -3.944 25 HA PRO 3 HA PRO 3 29.926 2.354 -0.930 26 HB2 PRO 3 HB2 PRO 3 32.405 1.356 -1.454 27 HB3 PRO 3 HB1 PRO 3 31.168 1.525 -2.741 28 HG2 PRO 3 HG2 PRO 3 33.466 3.357 -2.064 29 HG3 PRO 3 HG1 PRO 3 32.938 2.743 -3.664 30 HD2 PRO 3 HD2 PRO 3 32.235 5.238 -2.735 31 HD3 PRO 3 HD1 PRO 3 31.182 4.277 -3.825 32 H ILE 4 HN ILE 4 30.378 4.709 0.636 33 HA ILE 4 HA ILE 4 31.745 3.493 2.901 34 HB ILE 4 HB ILE 4 33.627 4.492 1.397 35 HG12 ILE 4 HG12 ILE 4 33.405 5.495 4.275 36 HG13 ILE 4 HG11 ILE 4 33.890 3.850 3.812 37 HG21 ILE 4 HG21 ILE 4 32.753 7.114 2.659 38 HG22 ILE 4 HG22 ILE 4 32.240 6.641 1.021 39 HG23 ILE 4 HG23 ILE 4 33.969 6.843 1.388 40 HD11 ILE 4 HD1 ILE 4 35.936 5.027 4.139 41 HD12 ILE 4 HD2 ILE 4 35.343 6.463 3.275 42 HD13 ILE 4 HD3 ILE 4 35.721 4.975 2.374 43 H VAL 5 HN VAL 5 29.257 4.984 1.755 44 HA VAL 5 HA VAL 5 27.630 6.388 2.620 45 HB VAL 5 HB VAL 5 29.083 6.128 5.285 46 HG11 VAL 5 HG11 VAL 5 27.287 7.793 5.248 47 HG12 VAL 5 HG12 VAL 5 26.742 6.361 6.154 48 HG13 VAL 5 HG13 VAL 5 26.181 6.626 4.486 49 HG21 VAL 5 HG21 VAL 5 28.759 3.886 4.331 50 HG22 VAL 5 HG22 VAL 5 27.065 4.269 3.945 51 HG23 VAL 5 HG23 VAL 5 27.586 4.148 5.642 52 H GLY 6 HN GLY 6 28.105 8.262 1.521 53 HA2 GLY 6 HA1 GLY 6 30.178 10.089 2.555 54 HA3 GLY 6 HA2 GLY 6 29.126 10.342 1.148 55 H ASN 7 HN ASN 7 27.058 11.215 1.396 56 HA ASN 7 HA ASN 7 26.686 12.686 4.000 57 HB2 ASN 7 HB2 ASN 7 26.892 14.000 1.842 58 HB3 ASN 7 HB1 ASN 7 25.384 13.221 1.301 59 HD21 ASN 7 HD21 ASN 7 26.556 14.771 4.388 60 HD22 ASN 7 HD22 ASN 7 25.099 15.746 4.601 61 H LEU 8 HN LEU 8 26.078 9.932 3.807 62 HA LEU 8 HA LEU 8 24.366 8.555 4.529 63 HB2 LEU 8 HB2 LEU 8 23.493 10.827 5.594 64 HB3 LEU 8 HB1 LEU 8 22.300 10.765 4.281 65 HG LEU 8 HG LEU 8 21.965 8.241 5.108 66 HD11 LEU 8 HD11 LEU 8 23.044 9.646 7.599 67 HD12 LEU 8 HD12 LEU 8 23.792 8.260 6.773 68 HD13 LEU 8 HD13 LEU 8 22.222 8.069 7.585 69 HD21 LEU 8 HD21 LEU 8 20.184 9.025 6.651 70 HD22 LEU 8 HD22 LEU 8 20.224 10.002 5.162 71 HD23 LEU 8 HD23 LEU 8 20.916 10.647 6.670 72 H LEU 9 HN LEU 9 24.952 7.764 2.361 73 HA LEU 9 HA LEU 9 24.347 6.960 0.278 74 HB2 LEU 9 HB2 LEU 9 21.619 7.358 1.560 75 HB3 LEU 9 HB1 LEU 9 21.784 6.730 -0.094 76 HG LEU 9 HG LEU 9 23.114 4.848 0.688 77 HD11 LEU 9 HD11 LEU 9 24.440 5.755 2.453 78 HD12 LEU 9 HD12 LEU 9 23.371 4.583 3.254 79 HD13 LEU 9 HD13 LEU 9 23.011 6.324 3.350 80 HD21 LEU 9 HD21 LEU 9 20.656 4.632 0.828 81 HD22 LEU 9 HD22 LEU 9 20.679 5.319 2.470 82 HD23 LEU 9 HD23 LEU 9 21.436 3.739 2.155 83 H LYS 10 HN LYS 10 24.815 9.854 0.758 84 HA LYS 10 HA LYS 10 23.735 10.790 -1.857 85 HB2 LYS 10 HB2 LYS 10 23.237 12.226 0.784 86 HB3 LYS 10 HB1 LYS 10 23.022 12.969 -0.818 87 HG2 LYS 10 HG2 LYS 10 21.437 11.050 -1.379 88 HG3 LYS 10 HG1 LYS 10 21.521 10.583 0.337 89 HD2 LYS 10 HD2 LYS 10 20.748 12.870 0.973 90 HD3 LYS 10 HD1 LYS 10 20.595 13.276 -0.753 91 HE2 LYS 10 HE2 LYS 10 19.140 10.971 0.615 92 HE3 LYS 10 HE1 LYS 10 18.421 12.564 0.281 93 HZ1 LYS 10 HZ1 LYS 10 19.418 10.572 -1.686 94 HZ2 LYS 10 HZ2 LYS 10 19.046 12.177 -2.101 95 HZ3 LYS 10 HZ3 LYS 10 17.834 11.147 -1.502 96 H SER 11 HN SER 11 24.564 13.263 -2.038 97 HA SER 11 HA SER 11 27.132 13.764 -0.775 98 HB2 SER 11 HB2 SER 11 27.095 12.747 -3.641 99 HB3 SER 11 HB1 SER 11 28.472 13.595 -2.901 100 HG SER 11 HG SER 11 27.543 11.021 -2.535 101 H LEU 12 HN LEU 12 25.082 15.407 -0.733 102 HA LEU 12 HA LEU 12 24.555 17.098 -2.905 103 HB2 LEU 12 HB2 LEU 12 23.678 17.043 -0.394 104 HB3 LEU 12 HB1 LEU 12 24.922 18.284 -0.139 105 HG LEU 12 HG LEU 12 22.622 18.384 -2.146 106 HD11 LEU 12 HD11 LEU 12 22.098 18.820 0.283 107 HD12 LEU 12 HD12 LEU 12 21.816 20.226 -0.772 108 HD13 LEU 12 HD13 LEU 12 23.273 20.157 0.248 109 HD21 LEU 12 HD21 LEU 12 23.534 20.790 -2.456 110 HD22 LEU 12 HD22 LEU 12 24.451 19.476 -3.225 111 HD23 LEU 12 HD23 LEU 12 25.032 20.192 -1.702 112 H LEU 13 HN LEU 13 27.018 17.655 -0.337 113 HA LEU 13 HA LEU 13 28.238 19.919 -1.482 114 HB2 LEU 13 HB2 LEU 13 29.280 17.656 0.250 115 HB3 LEU 13 HB1 LEU 13 30.373 18.949 -0.298 116 HG LEU 13 HG LEU 13 28.918 20.649 0.728 117 HD11 LEU 13 HD11 LEU 13 26.724 19.709 0.512 118 HD12 LEU 13 HD12 LEU 13 27.042 19.772 2.261 119 HD13 LEU 13 HD13 LEU 13 27.190 18.229 1.385 120 HD21 LEU 13 HD21 LEU 13 29.450 18.362 2.675 121 HD22 LEU 13 HD22 LEU 13 29.351 20.095 3.067 122 HD23 LEU 13 HD23 LEU 13 30.698 19.481 2.078 Start of MODEL 12 1 H1 LEU 1 HT1 LEU 1 32.653 12.566 2.976 2 H2 LEU 1 HT2 LEU 1 32.641 11.300 4.108 3 H3 LEU 1 HT3 LEU 1 31.236 11.674 3.229 4 HA LEU 1 HA LEU 1 31.798 10.394 1.572 5 HB2 LEU 1 HB2 LEU 1 34.403 11.938 1.799 6 HB3 LEU 1 HB1 LEU 1 34.245 10.587 0.653 7 HG LEU 1 HG LEU 1 32.238 11.709 -0.344 8 HD11 LEU 1 HD11 LEU 1 31.400 13.059 1.447 9 HD12 LEU 1 HD12 LEU 1 32.025 14.213 0.247 10 HD13 LEU 1 HD13 LEU 1 32.979 13.839 1.702 11 HD21 LEU 1 HD21 LEU 1 34.496 12.029 -1.310 12 HD22 LEU 1 HD22 LEU 1 34.771 13.409 -0.220 13 HD23 LEU 1 HD23 LEU 1 33.519 13.506 -1.482 14 H LEU 2 HN LEU 2 31.468 8.895 3.515 15 HA LEU 2 HA LEU 2 33.855 7.637 4.616 16 HB2 LEU 2 HB2 LEU 2 30.900 7.387 4.836 17 HB3 LEU 2 HB1 LEU 2 31.745 5.844 5.042 18 HG LEU 2 HG LEU 2 33.221 6.988 6.772 19 HD11 LEU 2 HD11 LEU 2 32.522 9.141 7.661 20 HD12 LEU 2 HD12 LEU 2 31.107 9.179 6.582 21 HD13 LEU 2 HD13 LEU 2 32.747 9.322 5.906 22 HD21 LEU 2 HD21 LEU 2 31.479 6.957 8.527 23 HD22 LEU 2 HD22 LEU 2 31.258 5.600 7.396 24 HD23 LEU 2 HD23 LEU 2 30.212 7.037 7.280 25 HA PRO 3 HA PRO 3 35.270 4.515 1.868 26 HB2 PRO 3 HB2 PRO 3 33.768 2.567 3.645 27 HB3 PRO 3 HB1 PRO 3 35.388 2.391 2.891 28 HG2 PRO 3 HG2 PRO 3 35.128 3.147 5.453 29 HG3 PRO 3 HG1 PRO 3 36.397 3.844 4.398 30 HD2 PRO 3 HD2 PRO 3 33.934 5.145 5.469 31 HD3 PRO 3 HD1 PRO 3 35.428 5.900 4.830 32 H ILE 4 HN ILE 4 31.831 4.518 2.775 33 HA ILE 4 HA ILE 4 31.166 3.831 -0.057 34 HB ILE 4 HB ILE 4 31.115 1.674 1.221 35 HG12 ILE 4 HG12 ILE 4 28.357 2.702 0.401 36 HG13 ILE 4 HG11 ILE 4 29.612 2.165 -0.738 37 HG21 ILE 4 HG21 ILE 4 28.750 2.851 2.726 38 HG22 ILE 4 HG22 ILE 4 30.396 2.866 3.399 39 HG23 ILE 4 HG23 ILE 4 29.601 1.319 3.027 40 HD11 ILE 4 HD1 ILE 4 28.143 0.512 1.351 41 HD12 ILE 4 HD2 ILE 4 29.641 -0.054 0.572 42 HD13 ILE 4 HD3 ILE 4 28.193 0.267 -0.410 43 H VAL 5 HN VAL 5 29.933 4.758 3.196 44 HA VAL 5 HA VAL 5 27.493 5.887 2.079 45 HB VAL 5 HB VAL 5 28.678 6.693 4.766 46 HG11 VAL 5 HG11 VAL 5 26.527 7.720 3.866 47 HG12 VAL 5 HG12 VAL 5 26.360 6.880 5.423 48 HG13 VAL 5 HG13 VAL 5 25.813 6.093 3.924 49 HG21 VAL 5 HG21 VAL 5 28.919 4.258 4.630 50 HG22 VAL 5 HG22 VAL 5 27.242 4.103 4.055 51 HG23 VAL 5 HG23 VAL 5 27.567 4.666 5.711 52 H GLY 6 HN GLY 6 28.267 8.311 4.077 53 HA2 GLY 6 HA1 GLY 6 30.085 10.068 3.324 54 HA3 GLY 6 HA2 GLY 6 29.143 10.062 1.818 55 H ASN 7 HN ASN 7 27.430 11.355 1.641 56 HA ASN 7 HA ASN 7 26.658 12.947 4.055 57 HB2 ASN 7 HB2 ASN 7 27.230 14.042 1.830 58 HB3 ASN 7 HB1 ASN 7 25.760 13.288 1.165 59 HD21 ASN 7 HD21 ASN 7 23.777 14.334 1.532 60 HD22 ASN 7 HD22 ASN 7 23.590 15.709 2.625 61 H LEU 8 HN LEU 8 25.965 10.202 3.984 62 HA LEU 8 HA LEU 8 24.083 9.001 4.646 63 HB2 LEU 8 HB2 LEU 8 23.090 11.470 5.056 64 HB3 LEU 8 HB1 LEU 8 22.127 11.081 3.618 65 HG LEU 8 HG LEU 8 22.294 9.354 6.135 66 HD11 LEU 8 HD11 LEU 8 21.121 11.489 6.540 67 HD12 LEU 8 HD12 LEU 8 19.965 10.134 6.515 68 HD13 LEU 8 HD13 LEU 8 20.105 11.213 5.106 69 HD21 LEU 8 HD21 LEU 8 20.664 9.178 3.565 70 HD22 LEU 8 HD22 LEU 8 20.260 8.270 5.041 71 HD23 LEU 8 HD23 LEU 8 21.804 7.974 4.209 72 H LEU 9 HN LEU 9 25.318 8.203 2.598 73 HA LEU 9 HA LEU 9 25.162 7.106 0.565 74 HB2 LEU 9 HB2 LEU 9 22.144 7.327 0.905 75 HB3 LEU 9 HB1 LEU 9 23.029 6.159 -0.096 76 HG LEU 9 HG LEU 9 23.408 6.340 2.927 77 HD11 LEU 9 HD11 LEU 9 21.028 5.851 2.405 78 HD12 LEU 9 HD12 LEU 9 21.851 4.439 3.111 79 HD13 LEU 9 HD13 LEU 9 21.543 4.507 1.359 80 HD21 LEU 9 HD21 LEU 9 24.134 3.921 2.532 81 HD22 LEU 9 HD22 LEU 9 25.211 5.150 1.835 82 HD23 LEU 9 HD23 LEU 9 24.076 4.265 0.788 83 H LYS 10 HN LYS 10 25.241 10.036 0.768 84 HA LYS 10 HA LYS 10 25.103 11.858 -0.660 85 HB2 LYS 10 HB2 LYS 10 24.576 9.834 -2.865 86 HB3 LYS 10 HB1 LYS 10 25.299 11.452 -3.020 87 HG2 LYS 10 HG2 LYS 10 27.181 10.679 -1.522 88 HG3 LYS 10 HG1 LYS 10 26.493 9.039 -1.593 89 HD2 LYS 10 HD2 LYS 10 26.671 9.111 -4.091 90 HD3 LYS 10 HD1 LYS 10 27.467 10.699 -3.959 91 HE2 LYS 10 HE2 LYS 10 28.486 8.176 -2.587 92 HE3 LYS 10 HE1 LYS 10 29.070 8.747 -4.169 93 HZ1 LYS 10 HZ1 LYS 10 29.231 10.973 -2.665 94 HZ2 LYS 10 HZ2 LYS 10 30.521 9.900 -2.935 95 HZ3 LYS 10 HZ3 LYS 10 29.595 9.781 -1.514 96 H SER 11 HN SER 11 23.665 12.738 -2.658 97 HA SER 11 HA SER 11 20.891 11.872 -2.619 98 HB2 SER 11 HB2 SER 11 21.660 14.364 -1.056 99 HB3 SER 11 HB1 SER 11 20.007 14.003 -1.599 100 HG SER 11 HG SER 11 21.555 12.833 0.395 101 H LEU 12 HN LEU 12 23.052 14.705 -3.033 102 HA LEU 12 HA LEU 12 21.493 15.686 -5.321 103 HB2 LEU 12 HB2 LEU 12 24.103 16.489 -3.989 104 HB3 LEU 12 HB1 LEU 12 23.575 17.239 -5.514 105 HG LEU 12 HG LEU 12 21.463 17.948 -4.461 106 HD11 LEU 12 HD11 LEU 12 22.598 16.428 -2.081 107 HD12 LEU 12 HD12 LEU 12 20.996 16.267 -2.840 108 HD13 LEU 12 HD13 LEU 12 21.378 17.708 -1.874 109 HD21 LEU 12 HD21 LEU 12 23.932 18.656 -2.809 110 HD22 LEU 12 HD22 LEU 12 22.426 19.604 -2.879 111 HD23 LEU 12 HD23 LEU 12 23.440 19.434 -4.332 112 H LEU 13 HN LEU 13 22.563 12.926 -5.437 113 HA LEU 13 HA LEU 13 23.668 11.550 -6.945 114 HB2 LEU 13 HB2 LEU 13 22.985 13.971 -8.646 115 HB3 LEU 13 HB1 LEU 13 23.830 12.568 -9.341 116 HG LEU 13 HG LEU 13 22.001 11.083 -8.702 117 HD11 LEU 13 HD11 LEU 13 19.875 12.207 -7.739 118 HD12 LEU 13 HD12 LEU 13 20.935 13.572 -7.312 119 HD13 LEU 13 HD13 LEU 13 21.235 11.960 -6.619 120 HD21 LEU 13 HD21 LEU 13 20.254 11.971 -10.160 121 HD22 LEU 13 HD22 LEU 13 21.841 12.430 -10.825 122 HD23 LEU 13 HD23 LEU 13 20.865 13.629 -9.942 Start of MODEL 13 1 H1 LEU 1 HT1 LEU 1 33.643 12.802 0.287 2 H2 LEU 1 HT2 LEU 1 32.698 13.171 1.648 3 H3 LEU 1 HT3 LEU 1 32.471 14.023 0.197 4 HA LEU 1 HA LEU 1 31.000 11.975 1.006 5 HB2 LEU 1 HB2 LEU 1 30.059 12.000 -1.194 6 HB3 LEU 1 HB1 LEU 1 30.616 13.651 -0.855 7 HG LEU 1 HG LEU 1 32.044 11.558 -2.564 8 HD11 LEU 1 HD11 LEU 1 31.586 13.108 -4.390 9 HD12 LEU 1 HD12 LEU 1 30.872 14.284 -3.260 10 HD13 LEU 1 HD13 LEU 1 30.059 12.729 -3.559 11 HD21 LEU 1 HD21 LEU 1 33.562 13.625 -3.051 12 HD22 LEU 1 HD22 LEU 1 33.812 12.771 -1.516 13 HD23 LEU 1 HD23 LEU 1 32.900 14.298 -1.543 14 H LEU 2 HN LEU 2 30.588 9.821 0.166 15 HA LEU 2 HA LEU 2 33.009 8.415 -0.894 16 HB2 LEU 2 HB2 LEU 2 31.509 7.811 1.673 17 HB3 LEU 2 HB1 LEU 2 32.416 6.543 0.823 18 HG LEU 2 HG LEU 2 33.778 9.192 1.455 19 HD11 LEU 2 HD11 LEU 2 32.835 8.521 3.601 20 HD12 LEU 2 HD12 LEU 2 34.578 8.159 3.602 21 HD13 LEU 2 HD13 LEU 2 33.397 6.848 3.368 22 HD21 LEU 2 HD21 LEU 2 34.726 6.295 1.205 23 HD22 LEU 2 HD22 LEU 2 35.773 7.674 1.609 24 HD23 LEU 2 HD23 LEU 2 34.985 7.594 0.018 25 HA PRO 3 HA PRO 3 29.850 6.423 -3.308 26 HB2 PRO 3 HB2 PRO 3 31.097 4.154 -4.157 27 HB3 PRO 3 HB1 PRO 3 31.617 5.781 -4.703 28 HG2 PRO 3 HG2 PRO 3 32.785 4.041 -2.537 29 HG3 PRO 3 HG1 PRO 3 33.621 4.960 -3.827 30 HD2 PRO 3 HD2 PRO 3 33.372 5.914 -1.253 31 HD3 PRO 3 HD1 PRO 3 33.442 6.990 -2.688 32 H ILE 4 HN ILE 4 30.176 5.788 -0.270 33 HA ILE 4 HA ILE 4 28.311 3.454 -0.319 34 HB ILE 4 HB ILE 4 30.664 3.505 1.621 35 HG12 ILE 4 HG12 ILE 4 30.388 2.033 -1.041 36 HG13 ILE 4 HG11 ILE 4 31.589 3.283 -0.640 37 HG21 ILE 4 HG21 ILE 4 28.463 2.229 2.086 38 HG22 ILE 4 HG22 ILE 4 29.967 1.283 2.162 39 HG23 ILE 4 HG23 ILE 4 28.918 1.175 0.728 40 HD11 ILE 4 HD1 ILE 4 31.372 0.457 0.449 41 HD12 ILE 4 HD2 ILE 4 32.306 1.713 1.300 42 HD13 ILE 4 HD3 ILE 4 32.756 1.234 -0.353 43 H VAL 5 HN VAL 5 30.075 5.830 1.721 44 HA VAL 5 HA VAL 5 27.478 6.572 2.989 45 HB VAL 5 HB VAL 5 29.907 5.873 4.695 46 HG11 VAL 5 HG11 VAL 5 26.977 6.451 5.331 47 HG12 VAL 5 HG12 VAL 5 28.349 7.546 5.630 48 HG13 VAL 5 HG13 VAL 5 28.224 6.011 6.522 49 HG21 VAL 5 HG21 VAL 5 29.114 3.790 3.746 50 HG22 VAL 5 HG22 VAL 5 27.416 4.249 4.019 51 HG23 VAL 5 HG23 VAL 5 28.476 3.894 5.404 52 H GLY 6 HN GLY 6 28.022 8.416 1.546 53 HA2 GLY 6 HA1 GLY 6 30.339 10.046 2.206 54 HA3 GLY 6 HA2 GLY 6 28.976 10.505 1.167 55 H ASN 7 HN ASN 7 26.809 10.660 2.532 56 HA ASN 7 HA ASN 7 27.299 11.904 5.198 57 HB2 ASN 7 HB2 ASN 7 26.039 13.418 2.871 58 HB3 ASN 7 HB1 ASN 7 26.109 13.978 4.559 59 HD21 ASN 7 HD21 ASN 7 28.581 13.684 5.476 60 HD22 ASN 7 HD22 ASN 7 29.794 14.383 4.399 61 H LEU 8 HN LEU 8 25.168 10.884 2.593 62 HA LEU 8 HA LEU 8 23.313 9.679 4.493 63 HB2 LEU 8 HB2 LEU 8 21.350 11.074 3.293 64 HB3 LEU 8 HB1 LEU 8 22.161 11.692 4.745 65 HG LEU 8 HG LEU 8 23.674 13.058 3.358 66 HD11 LEU 8 HD11 LEU 8 22.132 11.786 1.056 67 HD12 LEU 8 HD12 LEU 8 23.885 11.711 1.356 68 HD13 LEU 8 HD13 LEU 8 23.129 13.247 0.880 69 HD21 LEU 8 HD21 LEU 8 20.740 13.361 2.579 70 HD22 LEU 8 HD22 LEU 8 21.981 14.633 2.479 71 HD23 LEU 8 HD23 LEU 8 21.491 13.991 4.066 72 H LEU 9 HN LEU 9 24.937 8.542 2.677 73 HA LEU 9 HA LEU 9 24.922 7.057 0.901 74 HB2 LEU 9 HB2 LEU 9 21.895 7.328 0.811 75 HB3 LEU 9 HB1 LEU 9 22.896 5.942 0.327 76 HG LEU 9 HG LEU 9 22.483 6.987 3.164 77 HD11 LEU 9 HD11 LEU 9 20.639 5.624 2.072 78 HD12 LEU 9 HD12 LEU 9 21.337 4.890 3.536 79 HD13 LEU 9 HD13 LEU 9 21.804 4.286 1.928 80 HD21 LEU 9 HD21 LEU 9 24.748 6.228 3.094 81 HD22 LEU 9 HD22 LEU 9 24.350 4.874 2.008 82 HD23 LEU 9 HD23 LEU 9 23.829 4.836 3.711 83 H LYS 10 HN LYS 10 25.204 9.881 0.502 84 HA LYS 10 HA LYS 10 25.260 11.419 -1.227 85 HB2 LYS 10 HB2 LYS 10 24.794 8.942 -2.935 86 HB3 LYS 10 HB1 LYS 10 25.347 10.525 -3.535 87 HG2 LYS 10 HG2 LYS 10 27.273 10.308 -1.809 88 HG3 LYS 10 HG1 LYS 10 26.798 8.596 -1.683 89 HD2 LYS 10 HD2 LYS 10 27.592 10.041 -4.251 90 HD3 LYS 10 HD1 LYS 10 28.609 8.898 -3.345 91 HE2 LYS 10 HE2 LYS 10 26.679 7.202 -3.643 92 HE3 LYS 10 HE1 LYS 10 26.032 8.337 -4.854 93 HZ1 LYS 10 HZ1 LYS 10 27.968 8.127 -6.154 94 HZ2 LYS 10 HZ2 LYS 10 27.547 6.541 -5.714 95 HZ3 LYS 10 HZ3 LYS 10 28.825 7.334 -4.925 96 H SER 11 HN SER 11 24.014 12.563 -2.869 97 HA SER 11 HA SER 11 21.163 12.501 -2.190 98 HB2 SER 11 HB2 SER 11 21.026 14.445 -3.703 99 HB3 SER 11 HB1 SER 11 22.360 14.627 -2.544 100 HG SER 11 HG SER 11 23.198 13.300 -4.732 101 H LEU 12 HN LEU 12 22.419 10.174 -3.638 102 HA LEU 12 HA LEU 12 21.824 8.725 -5.343 103 HB2 LEU 12 HB2 LEU 12 19.277 10.342 -5.673 104 HB3 LEU 12 HB1 LEU 12 19.531 8.606 -5.959 105 HG LEU 12 HG LEU 12 19.592 10.042 -3.268 106 HD11 LEU 12 HD11 LEU 12 17.340 9.614 -4.290 107 HD12 LEU 12 HD12 LEU 12 17.605 8.695 -2.789 108 HD13 LEU 12 HD13 LEU 12 17.740 7.882 -4.368 109 HD21 LEU 12 HD21 LEU 12 19.759 7.592 -2.431 110 HD22 LEU 12 HD22 LEU 12 21.237 8.316 -3.102 111 HD23 LEU 12 HD23 LEU 12 20.274 7.188 -4.087 112 H LEU 13 HN LEU 13 20.119 11.612 -6.630 113 HA LEU 13 HA LEU 13 21.337 11.205 -9.241 114 HB2 LEU 13 HB2 LEU 13 19.560 13.336 -8.007 115 HB3 LEU 13 HB1 LEU 13 20.245 13.551 -9.635 116 HG LEU 13 HG LEU 13 19.234 11.369 -10.320 117 HD11 LEU 13 HD11 LEU 13 19.067 10.148 -8.273 118 HD12 LEU 13 HD12 LEU 13 17.387 10.509 -8.728 119 HD13 LEU 13 HD13 LEU 13 18.191 11.468 -7.461 120 HD21 LEU 13 HD21 LEU 13 16.966 12.210 -10.502 121 HD22 LEU 13 HD22 LEU 13 18.066 13.607 -10.580 122 HD23 LEU 13 HD23 LEU 13 17.183 13.251 -9.076 Start of MODEL 14 1 H1 LEU 1 HT1 LEU 1 31.015 8.680 0.107 2 H2 LEU 1 HT2 LEU 1 32.158 9.866 -0.310 3 H3 LEU 1 HT3 LEU 1 31.945 8.502 -1.299 4 HA LEU 1 HA LEU 1 30.167 10.804 -0.906 5 HB2 LEU 1 HB2 LEU 1 31.031 9.422 -3.467 6 HB3 LEU 1 HB1 LEU 1 30.364 11.058 -3.261 7 HG LEU 1 HG LEU 1 33.080 10.072 -2.286 8 HD11 LEU 1 HD11 LEU 1 32.260 12.095 -4.417 9 HD12 LEU 1 HD12 LEU 1 32.958 10.485 -4.716 10 HD13 LEU 1 HD13 LEU 1 33.932 11.745 -3.920 11 HD21 LEU 1 HD21 LEU 1 33.341 12.607 -1.782 12 HD22 LEU 1 HD22 LEU 1 32.343 11.658 -0.657 13 HD23 LEU 1 HD23 LEU 1 31.566 12.686 -1.887 14 H LEU 2 HN LEU 2 30.225 7.403 -0.963 15 HA LEU 2 HA LEU 2 27.369 7.235 -0.872 16 HB2 LEU 2 HB2 LEU 2 27.256 7.638 -3.198 17 HB3 LEU 2 HB1 LEU 2 28.665 6.629 -3.548 18 HG LEU 2 HG LEU 2 27.387 4.595 -2.981 19 HD11 LEU 2 HD11 LEU 2 25.946 5.370 -1.207 20 HD12 LEU 2 HD12 LEU 2 24.875 4.907 -2.548 21 HD13 LEU 2 HD13 LEU 2 25.233 6.624 -2.245 22 HD21 LEU 2 HD21 LEU 2 25.733 4.691 -4.802 23 HD22 LEU 2 HD22 LEU 2 27.226 5.533 -5.282 24 HD23 LEU 2 HD23 LEU 2 25.796 6.470 -4.786 25 HA PRO 3 HA PRO 3 29.189 2.697 -0.988 26 HB2 PRO 3 HB2 PRO 3 32.011 2.623 -0.848 27 HB3 PRO 3 HB1 PRO 3 31.041 2.320 -2.324 28 HG2 PRO 3 HG2 PRO 3 32.381 4.858 -1.415 29 HG3 PRO 3 HG1 PRO 3 32.306 4.132 -3.052 30 HD2 PRO 3 HD2 PRO 3 30.709 6.187 -2.434 31 HD3 PRO 3 HD1 PRO 3 30.069 4.807 -3.390 32 H ILE 4 HN ILE 4 31.860 4.638 0.440 33 HA ILE 4 HA ILE 4 31.434 3.389 3.055 34 HB ILE 4 HB ILE 4 33.239 4.946 3.809 35 HG12 ILE 4 HG12 ILE 4 33.031 5.947 0.930 36 HG13 ILE 4 HG11 ILE 4 32.686 6.884 2.401 37 HG21 ILE 4 HG21 ILE 4 34.999 3.880 2.577 38 HG22 ILE 4 HG22 ILE 4 33.972 3.683 1.136 39 HG23 ILE 4 HG23 ILE 4 33.655 2.717 2.596 40 HD11 ILE 4 HD1 ILE 4 34.889 7.539 1.816 41 HD12 ILE 4 HD2 ILE 4 35.363 5.881 1.381 42 HD13 ILE 4 HD3 ILE 4 35.138 6.323 3.091 43 H VAL 5 HN VAL 5 29.197 4.943 1.874 44 HA VAL 5 HA VAL 5 27.601 6.458 2.597 45 HB VAL 5 HB VAL 5 28.983 6.323 5.310 46 HG11 VAL 5 HG11 VAL 5 26.119 6.871 4.409 47 HG12 VAL 5 HG12 VAL 5 27.252 8.050 5.113 48 HG13 VAL 5 HG13 VAL 5 26.637 6.706 6.105 49 HG21 VAL 5 HG21 VAL 5 28.588 4.039 4.466 50 HG22 VAL 5 HG22 VAL 5 26.907 4.464 4.062 51 HG23 VAL 5 HG23 VAL 5 27.430 4.422 5.762 52 H GLY 6 HN GLY 6 28.115 8.264 1.424 53 HA2 GLY 6 HA1 GLY 6 30.311 10.002 2.028 54 HA3 GLY 6 HA2 GLY 6 28.888 10.414 1.050 55 H ASN 7 HN ASN 7 26.814 10.710 2.394 56 HA ASN 7 HA ASN 7 27.373 11.955 5.060 57 HB2 ASN 7 HB2 ASN 7 27.608 13.793 3.405 58 HB3 ASN 7 HB1 ASN 7 25.992 13.411 2.764 59 HD21 ASN 7 HD21 ASN 7 27.731 15.141 5.238 60 HD22 ASN 7 HD22 ASN 7 26.315 15.658 6.159 61 H LEU 8 HN LEU 8 25.289 10.656 2.599 62 HA LEU 8 HA LEU 8 23.504 9.451 4.489 63 HB2 LEU 8 HB2 LEU 8 22.773 11.923 4.589 64 HB3 LEU 8 HB1 LEU 8 22.249 11.726 2.904 65 HG LEU 8 HG LEU 8 20.944 9.607 3.831 66 HD11 LEU 8 HD11 LEU 8 21.392 11.268 6.358 67 HD12 LEU 8 HD12 LEU 8 21.834 9.565 6.101 68 HD13 LEU 8 HD13 LEU 8 20.124 10.035 6.187 69 HD21 LEU 8 HD21 LEU 8 19.868 11.639 2.913 70 HD22 LEU 8 HD22 LEU 8 20.061 12.457 4.482 71 HD23 LEU 8 HD23 LEU 8 18.986 11.046 4.340 72 H LEU 9 HN LEU 9 25.002 8.423 2.509 73 HA LEU 9 HA LEU 9 24.876 7.086 0.624 74 HB2 LEU 9 HB2 LEU 9 21.851 7.359 0.761 75 HB3 LEU 9 HB1 LEU 9 22.807 6.022 0.084 76 HG LEU 9 HG LEU 9 22.727 6.815 3.031 77 HD11 LEU 9 HD11 LEU 9 21.539 4.418 1.565 78 HD12 LEU 9 HD12 LEU 9 20.612 5.800 2.197 79 HD13 LEU 9 HD13 LEU 9 21.468 4.715 3.318 80 HD21 LEU 9 HD21 LEU 9 23.867 4.490 3.208 81 HD22 LEU 9 HD22 LEU 9 24.866 5.834 2.610 82 HD23 LEU 9 HD23 LEU 9 24.189 4.649 1.465 83 H LYS 10 HN LYS 10 25.165 9.920 0.405 84 HA LYS 10 HA LYS 10 25.184 11.533 -1.253 85 HB2 LYS 10 HB2 LYS 10 25.808 9.441 -2.633 86 HB3 LYS 10 HB1 LYS 10 24.120 9.445 -3.191 87 HG2 LYS 10 HG2 LYS 10 24.381 11.720 -4.078 88 HG3 LYS 10 HG1 LYS 10 26.041 11.804 -3.441 89 HD2 LYS 10 HD2 LYS 10 26.706 9.919 -4.891 90 HD3 LYS 10 HD1 LYS 10 25.042 9.800 -5.512 91 HE2 LYS 10 HE2 LYS 10 25.266 12.240 -6.242 92 HE3 LYS 10 HE1 LYS 10 27.001 12.102 -5.866 93 HZ1 LYS 10 HZ1 LYS 10 26.457 9.881 -7.356 94 HZ2 LYS 10 HZ2 LYS 10 27.204 11.300 -7.917 95 HZ3 LYS 10 HZ3 LYS 10 25.529 11.084 -8.109 96 H SER 11 HN SER 11 23.822 12.902 -2.596 97 HA SER 11 HA SER 11 20.966 12.347 -2.780 98 HB2 SER 11 HB2 SER 11 21.877 14.450 -0.777 99 HB3 SER 11 HB1 SER 11 20.199 14.112 -1.258 100 HG SER 11 HG SER 11 20.329 12.141 -0.285 101 H LEU 12 HN LEU 12 23.208 15.130 -2.357 102 HA LEU 12 HA LEU 12 23.508 17.011 -3.666 103 HB2 LEU 12 HB2 LEU 12 24.107 14.870 -5.199 104 HB3 LEU 12 HB1 LEU 12 22.755 15.486 -6.169 105 HG LEU 12 HG LEU 12 25.183 17.135 -5.308 106 HD11 LEU 12 HD11 LEU 12 25.793 15.368 -6.917 107 HD12 LEU 12 HD12 LEU 12 25.832 16.967 -7.701 108 HD13 LEU 12 HD13 LEU 12 24.460 15.867 -7.985 109 HD21 LEU 12 HD21 LEU 12 23.218 18.539 -5.657 110 HD22 LEU 12 HD22 LEU 12 22.830 17.686 -7.171 111 HD23 LEU 12 HD23 LEU 12 24.284 18.707 -7.070 112 H LEU 13 HN LEU 13 21.144 17.131 -2.452 113 HA LEU 13 HA LEU 13 19.002 18.017 -2.580 114 HB2 LEU 13 HB2 LEU 13 19.855 19.319 -5.186 115 HB3 LEU 13 HB1 LEU 13 18.768 19.952 -3.925 116 HG LEU 13 HG LEU 13 21.778 19.514 -3.680 117 HD11 LEU 13 HD11 LEU 13 21.044 21.505 -5.004 118 HD12 LEU 13 HD12 LEU 13 21.855 21.961 -3.487 119 HD13 LEU 13 HD13 LEU 13 20.081 22.049 -3.610 120 HD21 LEU 13 HD21 LEU 13 21.369 20.730 -1.439 121 HD22 LEU 13 HD22 LEU 13 20.848 19.032 -1.521 122 HD23 LEU 13 HD23 LEU 13 19.646 20.340 -1.662 Start of MODEL 15 1 H1 LEU 1 HT1 LEU 1 31.218 13.144 -0.652 2 H2 LEU 1 HT2 LEU 1 31.293 11.521 -0.154 3 H3 LEU 1 HT3 LEU 1 29.893 12.440 0.138 4 HA LEU 1 HA LEU 1 29.042 11.849 -1.758 5 HB2 LEU 1 HB2 LEU 1 31.637 13.049 -2.790 6 HB3 LEU 1 HB1 LEU 1 30.429 12.360 -3.897 7 HG LEU 1 HG LEU 1 28.702 13.888 -2.907 8 HD11 LEU 1 HD11 LEU 1 29.515 14.377 -0.721 9 HD12 LEU 1 HD12 LEU 1 29.719 15.899 -1.615 10 HD13 LEU 1 HD13 LEU 1 31.122 14.842 -1.327 11 HD21 LEU 1 HD21 LEU 1 31.183 15.340 -3.925 12 HD22 LEU 1 HD22 LEU 1 29.494 15.886 -4.062 13 HD23 LEU 1 HD23 LEU 1 30.043 14.452 -4.964 14 H LEU 2 HN LEU 2 30.525 9.936 -0.171 15 HA LEU 2 HA LEU 2 31.936 8.191 -2.082 16 HB2 LEU 2 HB2 LEU 2 31.011 7.499 0.731 17 HB3 LEU 2 HB1 LEU 2 32.360 6.791 -0.187 18 HG LEU 2 HG LEU 2 32.180 9.648 0.860 19 HD11 LEU 2 HD11 LEU 2 34.028 7.327 1.569 20 HD12 LEU 2 HD12 LEU 2 32.664 7.894 2.561 21 HD13 LEU 2 HD13 LEU 2 34.067 8.955 2.287 22 HD21 LEU 2 HD21 LEU 2 33.388 9.807 -1.190 23 HD22 LEU 2 HD22 LEU 2 34.185 8.233 -0.945 24 HD23 LEU 2 HD23 LEU 2 34.655 9.636 0.045 25 HA PRO 3 HA PRO 3 28.300 5.959 -3.342 26 HB2 PRO 3 HB2 PRO 3 29.343 3.485 -3.975 27 HB3 PRO 3 HB1 PRO 3 29.600 4.941 -4.991 28 HG2 PRO 3 HG2 PRO 3 31.428 3.706 -2.940 29 HG3 PRO 3 HG1 PRO 3 31.811 4.336 -4.573 30 HD2 PRO 3 HD2 PRO 3 32.275 5.801 -2.309 31 HD3 PRO 3 HD1 PRO 3 31.807 6.570 -3.860 32 H ILE 4 HN ILE 4 30.321 4.970 -0.710 33 HA ILE 4 HA ILE 4 28.464 2.864 0.238 34 HB ILE 4 HB ILE 4 30.812 4.084 1.753 35 HG12 ILE 4 HG12 ILE 4 30.794 1.814 -0.292 36 HG13 ILE 4 HG11 ILE 4 31.608 3.387 -0.472 37 HG21 ILE 4 HG21 ILE 4 29.696 1.251 1.816 38 HG22 ILE 4 HG22 ILE 4 29.080 2.540 2.875 39 HG23 ILE 4 HG23 ILE 4 30.780 2.034 2.991 40 HD11 ILE 4 HD1 ILE 4 32.861 2.769 1.727 41 HD12 ILE 4 HD2 ILE 4 33.336 1.922 0.236 42 HD13 ILE 4 HD3 ILE 4 32.286 1.111 1.421 43 H VAL 5 HN VAL 5 29.762 5.972 1.521 44 HA VAL 5 HA VAL 5 27.170 6.898 2.341 45 HB VAL 5 HB VAL 5 27.242 5.178 4.046 46 HG11 VAL 5 HG11 VAL 5 29.056 4.701 5.462 47 HG12 VAL 5 HG12 VAL 5 29.817 6.285 5.217 48 HG13 VAL 5 HG13 VAL 5 29.872 5.065 3.928 49 HG21 VAL 5 HG21 VAL 5 28.048 7.813 5.364 50 HG22 VAL 5 HG22 VAL 5 27.006 6.539 6.038 51 HG23 VAL 5 HG23 VAL 5 26.448 7.504 4.651 52 H GLY 6 HN GLY 6 27.853 8.794 1.393 53 HA2 GLY 6 HA1 GLY 6 30.338 10.083 2.292 54 HA3 GLY 6 HA2 GLY 6 29.159 10.718 1.129 55 H ASN 7 HN ASN 7 26.820 10.570 2.668 56 HA ASN 7 HA ASN 7 27.291 11.998 5.203 57 HB2 ASN 7 HB2 ASN 7 27.585 13.804 3.507 58 HB3 ASN 7 HB1 ASN 7 25.960 13.447 2.876 59 HD21 ASN 7 HD21 ASN 7 25.099 15.547 3.506 60 HD22 ASN 7 HD22 ASN 7 24.833 15.941 5.207 61 H LEU 8 HN LEU 8 25.229 10.686 2.695 62 HA LEU 8 HA LEU 8 23.391 9.578 4.613 63 HB2 LEU 8 HB2 LEU 8 22.712 12.058 4.588 64 HB3 LEU 8 HB1 LEU 8 22.216 11.800 2.901 65 HG LEU 8 HG LEU 8 20.859 9.735 3.920 66 HD11 LEU 8 HD11 LEU 8 19.990 10.282 6.206 67 HD12 LEU 8 HD12 LEU 8 21.192 11.586 6.326 68 HD13 LEU 8 HD13 LEU 8 21.723 9.893 6.215 69 HD21 LEU 8 HD21 LEU 8 18.909 11.248 4.300 70 HD22 LEU 8 HD22 LEU 8 19.808 11.670 2.822 71 HD23 LEU 8 HD23 LEU 8 20.013 12.644 4.298 72 H LEU 9 HN LEU 9 24.864 8.375 2.729 73 HA LEU 9 HA LEU 9 24.619 6.820 1.034 74 HB2 LEU 9 HB2 LEU 9 22.123 6.858 2.131 75 HB3 LEU 9 HB1 LEU 9 21.716 7.460 0.512 76 HG LEU 9 HG LEU 9 23.266 4.889 1.094 77 HD11 LEU 9 HD11 LEU 9 20.818 4.904 1.759 78 HD12 LEU 9 HD12 LEU 9 21.237 3.718 0.500 79 HD13 LEU 9 HD13 LEU 9 20.425 5.238 0.055 80 HD21 LEU 9 HD21 LEU 9 22.149 6.094 -1.480 81 HD22 LEU 9 HD22 LEU 9 22.840 4.460 -1.337 82 HD23 LEU 9 HD23 LEU 9 23.869 5.887 -1.070 83 H LYS 10 HN LYS 10 25.459 9.493 0.599 84 HA LYS 10 HA LYS 10 25.937 10.905 -1.166 85 HB2 LYS 10 HB2 LYS 10 26.182 8.539 -2.268 86 HB3 LYS 10 HB1 LYS 10 24.652 8.928 -3.083 87 HG2 LYS 10 HG2 LYS 10 25.736 11.098 -3.866 88 HG3 LYS 10 HG1 LYS 10 27.274 10.478 -3.220 89 HD2 LYS 10 HD2 LYS 10 26.998 8.437 -4.665 90 HD3 LYS 10 HD1 LYS 10 25.555 9.190 -5.385 91 HE2 LYS 10 HE2 LYS 10 28.290 10.531 -5.356 92 HE3 LYS 10 HE1 LYS 10 27.719 9.513 -6.699 93 HZ1 LYS 10 HZ1 LYS 10 27.037 12.208 -6.058 94 HZ2 LYS 10 HZ2 LYS 10 25.646 11.239 -6.162 95 HZ3 LYS 10 HZ3 LYS 10 26.724 11.326 -7.472 96 H SER 11 HN SER 11 24.013 10.534 -3.689 97 HA SER 11 HA SER 11 21.886 12.380 -2.598 98 HB2 SER 11 HB2 SER 11 23.498 13.316 -4.308 99 HB3 SER 11 HB1 SER 11 22.869 12.122 -5.465 100 HG SER 11 HG SER 11 21.607 13.877 -5.756 101 H LEU 12 HN LEU 12 21.722 9.504 -2.413 102 HA LEU 12 HA LEU 12 20.274 7.771 -2.958 103 HB2 LEU 12 HB2 LEU 12 18.383 9.924 -3.961 104 HB3 LEU 12 HB1 LEU 12 17.981 8.360 -3.212 105 HG LEU 12 HG LEU 12 19.330 10.734 -1.850 106 HD11 LEU 12 HD11 LEU 12 17.259 10.813 -0.525 107 HD12 LEU 12 HD12 LEU 12 16.619 9.405 -1.405 108 HD13 LEU 12 HD13 LEU 12 16.875 10.946 -2.258 109 HD21 LEU 12 HD21 LEU 12 18.927 9.220 0.225 110 HD22 LEU 12 HD22 LEU 12 20.283 8.791 -0.840 111 HD23 LEU 12 HD23 LEU 12 18.754 7.884 -0.939 112 H LEU 13 HN LEU 13 22.165 7.952 -4.832 113 HA LEU 13 HA LEU 13 21.522 8.525 -7.475 114 HB2 LEU 13 HB2 LEU 13 23.236 7.007 -8.123 115 HB3 LEU 13 HB1 LEU 13 23.714 7.620 -6.526 116 HG LEU 13 HG LEU 13 22.462 4.912 -7.174 117 HD11 LEU 13 HD11 LEU 13 24.942 5.268 -7.511 118 HD12 LEU 13 HD12 LEU 13 24.543 4.032 -6.293 119 HD13 LEU 13 HD13 LEU 13 25.067 5.652 -5.778 120 HD21 LEU 13 HD21 LEU 13 22.777 4.559 -4.634 121 HD22 LEU 13 HD22 LEU 13 21.408 5.582 -5.122 122 HD23 LEU 13 HD23 LEU 13 22.904 6.329 -4.511 Start of MODEL 16 1 H1 LEU 1 HT1 LEU 1 33.366 13.214 0.275 2 H2 LEU 1 HT2 LEU 1 32.794 12.188 1.505 3 H3 LEU 1 HT3 LEU 1 32.168 13.759 1.344 4 HA LEU 1 HA LEU 1 30.588 12.254 0.500 5 HB2 LEU 1 HB2 LEU 1 32.010 13.449 -1.904 6 HB3 LEU 1 HB1 LEU 1 30.263 13.210 -1.656 7 HG LEU 1 HG LEU 1 32.054 15.132 -0.101 8 HD11 LEU 1 HD11 LEU 1 30.714 16.872 -1.234 9 HD12 LEU 1 HD12 LEU 1 29.802 15.615 -2.103 10 HD13 LEU 1 HD13 LEU 1 31.539 15.839 -2.425 11 HD21 LEU 1 HD21 LEU 1 30.360 14.404 1.422 12 HD22 LEU 1 HD22 LEU 1 29.117 14.358 0.149 13 HD23 LEU 1 HD23 LEU 1 29.729 15.920 0.743 14 H LEU 2 HN LEU 2 30.431 10.138 0.254 15 HA LEU 2 HA LEU 2 32.251 8.788 -1.728 16 HB2 LEU 2 HB2 LEU 2 31.352 7.646 0.952 17 HB3 LEU 2 HB1 LEU 2 32.435 6.869 -0.218 18 HG LEU 2 HG LEU 2 33.052 9.545 1.115 19 HD11 LEU 2 HD11 LEU 2 33.996 6.746 1.877 20 HD12 LEU 2 HD12 LEU 2 32.853 7.742 2.809 21 HD13 LEU 2 HD13 LEU 2 34.541 8.271 2.615 22 HD21 LEU 2 HD21 LEU 2 34.367 9.290 -0.877 23 HD22 LEU 2 HD22 LEU 2 34.640 7.559 -0.571 24 HD23 LEU 2 HD23 LEU 2 35.434 8.780 0.449 25 HA PRO 3 HA PRO 3 28.384 7.299 -3.326 26 HB2 PRO 3 HB2 PRO 3 29.136 4.931 -4.532 27 HB3 PRO 3 HB1 PRO 3 29.530 6.544 -5.208 28 HG2 PRO 3 HG2 PRO 3 31.246 4.705 -3.551 29 HG3 PRO 3 HG1 PRO 3 31.670 5.635 -5.023 30 HD2 PRO 3 HD2 PRO 3 32.337 6.517 -2.530 31 HD3 PRO 3 HD1 PRO 3 31.898 7.654 -3.846 32 H ILE 4 HN ILE 4 30.335 5.344 -1.163 33 HA ILE 4 HA ILE 4 28.198 3.375 -0.665 34 HB ILE 4 HB ILE 4 30.678 3.869 1.037 35 HG12 ILE 4 HG12 ILE 4 30.367 2.181 -1.489 36 HG13 ILE 4 HG11 ILE 4 31.367 3.642 -1.322 37 HG21 ILE 4 HG21 ILE 4 28.753 2.333 1.802 38 HG22 ILE 4 HG22 ILE 4 30.369 1.595 1.734 39 HG23 ILE 4 HG23 ILE 4 29.191 1.278 0.438 40 HD11 ILE 4 HD1 ILE 4 32.545 2.376 0.626 41 HD12 ILE 4 HD2 ILE 4 32.905 1.857 -1.037 42 HD13 ILE 4 HD3 ILE 4 31.770 0.918 -0.042 43 H VAL 5 HN VAL 5 29.605 6.243 0.918 44 HA VAL 5 HA VAL 5 27.140 6.877 2.235 45 HB VAL 5 HB VAL 5 27.549 5.021 3.719 46 HG11 VAL 5 HG11 VAL 5 30.089 4.971 3.149 47 HG12 VAL 5 HG12 VAL 5 29.594 4.516 4.793 48 HG13 VAL 5 HG13 VAL 5 30.277 6.124 4.488 49 HG21 VAL 5 HG21 VAL 5 28.526 7.514 5.187 50 HG22 VAL 5 HG22 VAL 5 27.611 6.143 5.855 51 HG23 VAL 5 HG23 VAL 5 26.835 7.253 4.702 52 H GLY 6 HN GLY 6 27.587 8.875 1.352 53 HA2 GLY 6 HA1 GLY 6 30.089 10.262 2.046 54 HA3 GLY 6 HA2 GLY 6 28.742 10.893 1.080 55 H ASN 7 HN ASN 7 26.588 10.874 2.575 56 HA ASN 7 HA ASN 7 27.179 11.874 5.303 57 HB2 ASN 7 HB2 ASN 7 27.572 13.879 3.885 58 HB3 ASN 7 HB1 ASN 7 25.940 13.696 3.197 59 HD21 ASN 7 HD21 ASN 7 27.388 13.639 6.544 60 HD22 ASN 7 HD22 ASN 7 26.165 14.714 7.230 61 H LEU 8 HN LEU 8 25.173 10.736 2.773 62 HA LEU 8 HA LEU 8 23.178 9.773 4.638 63 HB2 LEU 8 HB2 LEU 8 22.553 12.249 4.318 64 HB3 LEU 8 HB1 LEU 8 22.207 11.836 2.625 65 HG LEU 8 HG LEU 8 20.713 9.906 3.670 66 HD11 LEU 8 HD11 LEU 8 19.659 10.679 5.840 67 HD12 LEU 8 HD12 LEU 8 20.962 11.881 5.989 68 HD13 LEU 8 HD13 LEU 8 21.344 10.144 6.012 69 HD21 LEU 8 HD21 LEU 8 18.781 11.473 3.777 70 HD22 LEU 8 HD22 LEU 8 19.823 11.807 2.373 71 HD23 LEU 8 HD23 LEU 8 19.909 12.849 3.814 72 H LEU 9 HN LEU 9 24.801 8.399 3.046 73 HA LEU 9 HA LEU 9 24.873 6.848 1.334 74 HB2 LEU 9 HB2 LEU 9 21.875 7.114 1.765 75 HB3 LEU 9 HB1 LEU 9 22.547 6.000 0.553 76 HG LEU 9 HG LEU 9 23.834 4.831 2.272 77 HD11 LEU 9 HD11 LEU 9 22.790 7.064 4.056 78 HD12 LEU 9 HD12 LEU 9 24.470 6.522 3.818 79 HD13 LEU 9 HD13 LEU 9 23.331 5.509 4.732 80 HD21 LEU 9 HD21 LEU 9 21.444 4.200 1.890 81 HD22 LEU 9 HD22 LEU 9 20.966 5.303 3.204 82 HD23 LEU 9 HD23 LEU 9 21.969 3.877 3.559 83 H LYS 10 HN LYS 10 25.187 9.594 0.653 84 HA LYS 10 HA LYS 10 24.470 9.403 -2.233 85 HB2 LYS 10 HB2 LYS 10 23.570 11.715 -2.264 86 HB3 LYS 10 HB1 LYS 10 22.551 10.615 -1.305 87 HG2 LYS 10 HG2 LYS 10 23.837 11.406 0.755 88 HG3 LYS 10 HG1 LYS 10 24.555 12.665 -0.274 89 HD2 LYS 10 HD2 LYS 10 21.581 12.239 0.267 90 HD3 LYS 10 HD1 LYS 10 22.588 13.568 0.888 91 HE2 LYS 10 HE2 LYS 10 21.660 13.061 -1.955 92 HE3 LYS 10 HE1 LYS 10 21.512 14.540 -0.980 93 HZ1 LYS 10 HZ1 LYS 10 23.799 13.520 -2.489 94 HZ2 LYS 10 HZ2 LYS 10 24.138 14.306 -1.021 95 HZ3 LYS 10 HZ3 LYS 10 23.281 15.116 -2.245 96 H SER 11 HN SER 11 25.827 10.544 -3.578 97 HA SER 11 HA SER 11 27.699 12.522 -2.629 98 HB2 SER 11 HB2 SER 11 28.850 10.742 -1.505 99 HB3 SER 11 HB1 SER 11 28.696 9.666 -2.913 100 HG SER 11 HG SER 11 30.624 11.416 -2.355 101 H LEU 12 HN LEU 12 25.813 11.558 -4.864 102 HA LEU 12 HA LEU 12 27.551 12.526 -7.075 103 HB2 LEU 12 HB2 LEU 12 26.683 10.653 -8.561 104 HB3 LEU 12 HB1 LEU 12 27.911 10.184 -7.368 105 HG LEU 12 HG LEU 12 25.015 9.970 -6.499 106 HD11 LEU 12 HD11 LEU 12 24.897 9.019 -8.755 107 HD12 LEU 12 HD12 LEU 12 24.826 7.714 -7.547 108 HD13 LEU 12 HD13 LEU 12 26.336 8.022 -8.439 109 HD21 LEU 12 HD21 LEU 12 26.820 9.332 -4.943 110 HD22 LEU 12 HD22 LEU 12 27.491 8.210 -6.149 111 HD23 LEU 12 HD23 LEU 12 25.899 7.890 -5.424 112 H LEU 13 HN LEU 13 26.094 14.353 -6.604 113 HA LEU 13 HA LEU 13 23.254 14.127 -7.028 114 HB2 LEU 13 HB2 LEU 13 25.236 16.426 -7.112 115 HB3 LEU 13 HB1 LEU 13 23.518 16.677 -7.504 116 HG LEU 13 HG LEU 13 22.848 15.828 -5.308 117 HD11 LEU 13 HD11 LEU 13 24.758 15.403 -3.610 118 HD12 LEU 13 HD12 LEU 13 25.822 15.247 -5.029 119 HD13 LEU 13 HD13 LEU 13 24.451 14.133 -4.814 120 HD21 LEU 13 HD21 LEU 13 23.581 18.243 -5.617 121 HD22 LEU 13 HD22 LEU 13 25.163 17.778 -4.949 122 HD23 LEU 13 HD23 LEU 13 23.700 17.642 -3.946 Start of MODEL 17 1 H1 LEU 1 HT1 LEU 1 28.019 12.773 -0.831 2 H2 LEU 1 HT2 LEU 1 29.548 12.249 -0.306 3 H3 LEU 1 HT3 LEU 1 28.342 11.115 -0.692 4 HA LEU 1 HA LEU 1 28.358 11.899 -2.983 5 HB2 LEU 1 HB2 LEU 1 30.921 13.335 -2.209 6 HB3 LEU 1 HB1 LEU 1 30.020 13.424 -3.741 7 HG LEU 1 HG LEU 1 29.063 14.451 -1.030 8 HD11 LEU 1 HD11 LEU 1 30.852 15.807 -2.124 9 HD12 LEU 1 HD12 LEU 1 29.295 16.668 -2.070 10 HD13 LEU 1 HD13 LEU 1 29.848 15.919 -3.587 11 HD21 LEU 1 HD21 LEU 1 27.111 13.741 -2.217 12 HD22 LEU 1 HD22 LEU 1 27.758 14.299 -3.780 13 HD23 LEU 1 HD23 LEU 1 27.236 15.482 -2.556 14 H LEU 2 HN LEU 2 30.048 10.347 -0.572 15 HA LEU 2 HA LEU 2 32.044 9.091 -2.399 16 HB2 LEU 2 HB2 LEU 2 31.584 8.454 0.535 17 HB3 LEU 2 HB1 LEU 2 33.059 8.217 -0.433 18 HG LEU 2 HG LEU 2 31.832 10.881 0.401 19 HD11 LEU 2 HD11 LEU 2 33.880 11.131 1.708 20 HD12 LEU 2 HD12 LEU 2 34.524 9.605 1.056 21 HD13 LEU 2 HD13 LEU 2 33.112 9.584 2.139 22 HD21 LEU 2 HD21 LEU 2 34.026 11.761 -0.665 23 HD22 LEU 2 HD22 LEU 2 32.739 11.254 -1.781 24 HD23 LEU 2 HD23 LEU 2 34.127 10.180 -1.478 25 HA PRO 3 HA PRO 3 29.398 5.566 -3.033 26 HB2 PRO 3 HB2 PRO 3 31.199 3.606 -3.680 27 HB3 PRO 3 HB1 PRO 3 30.847 4.983 -4.772 28 HG2 PRO 3 HG2 PRO 3 33.144 4.612 -2.860 29 HG3 PRO 3 HG1 PRO 3 33.158 5.210 -4.549 30 HD2 PRO 3 HD2 PRO 3 33.228 6.905 -2.383 31 HD3 PRO 3 HD1 PRO 3 32.456 7.356 -3.939 32 H ILE 4 HN ILE 4 30.878 6.162 -0.302 33 HA ILE 4 HA ILE 4 30.020 3.590 0.968 34 HB ILE 4 HB ILE 4 32.642 4.947 1.737 35 HG12 ILE 4 HG12 ILE 4 32.158 2.554 -0.099 36 HG13 ILE 4 HG11 ILE 4 32.875 4.114 -0.560 37 HG21 ILE 4 HG21 ILE 4 31.671 2.107 2.266 38 HG22 ILE 4 HG22 ILE 4 31.311 3.458 3.369 39 HG23 ILE 4 HG23 ILE 4 32.998 2.984 3.065 40 HD11 ILE 4 HD1 ILE 4 34.044 1.947 1.218 41 HD12 ILE 4 HD2 ILE 4 34.651 3.621 1.281 42 HD13 ILE 4 HD3 ILE 4 34.750 2.693 -0.234 43 H VAL 5 HN VAL 5 28.301 5.463 1.112 44 HA VAL 5 HA VAL 5 27.144 6.879 2.530 45 HB VAL 5 HB VAL 5 29.073 5.985 4.713 46 HG11 VAL 5 HG11 VAL 5 26.183 6.960 4.715 47 HG12 VAL 5 HG12 VAL 5 27.599 7.862 5.305 48 HG13 VAL 5 HG13 VAL 5 27.069 6.386 6.146 49 HG21 VAL 5 HG21 VAL 5 26.550 4.657 3.627 50 HG22 VAL 5 HG22 VAL 5 27.357 4.197 5.145 51 HG23 VAL 5 HG23 VAL 5 28.201 3.994 3.591 52 H GLY 6 HN GLY 6 27.927 8.721 1.366 53 HA2 GLY 6 HA1 GLY 6 30.343 10.084 2.250 54 HA3 GLY 6 HA2 GLY 6 29.103 10.718 1.148 55 H ASN 7 HN ASN 7 26.834 10.568 2.700 56 HA ASN 7 HA ASN 7 27.326 11.861 5.297 57 HB2 ASN 7 HB2 ASN 7 26.155 13.437 2.966 58 HB3 ASN 7 HB1 ASN 7 26.085 13.946 4.671 59 HD21 ASN 7 HD21 ASN 7 28.416 13.828 5.801 60 HD22 ASN 7 HD22 ASN 7 29.726 14.502 4.829 61 H LEU 8 HN LEU 8 25.281 10.695 2.719 62 HA LEU 8 HA LEU 8 23.407 9.535 4.573 63 HB2 LEU 8 HB2 LEU 8 22.855 12.166 4.346 64 HB3 LEU 8 HB1 LEU 8 22.037 11.631 2.866 65 HG LEU 8 HG LEU 8 21.538 10.455 5.645 66 HD11 LEU 8 HD11 LEU 8 20.793 12.792 5.534 67 HD12 LEU 8 HD12 LEU 8 19.384 11.705 5.500 68 HD13 LEU 8 HD13 LEU 8 19.952 12.473 3.998 69 HD21 LEU 8 HD21 LEU 8 20.164 10.118 2.939 70 HD22 LEU 8 HD22 LEU 8 19.485 9.545 4.480 71 HD23 LEU 8 HD23 LEU 8 21.011 8.861 3.874 72 H LEU 9 HN LEU 9 24.933 8.370 2.710 73 HA LEU 9 HA LEU 9 24.775 6.881 0.946 74 HB2 LEU 9 HB2 LEU 9 22.373 6.608 2.032 75 HB3 LEU 9 HB1 LEU 9 21.823 7.498 0.597 76 HG LEU 9 HG LEU 9 23.319 5.705 -0.715 77 HD11 LEU 9 HD11 LEU 9 22.633 4.259 1.889 78 HD12 LEU 9 HD12 LEU 9 24.269 4.624 1.292 79 HD13 LEU 9 HD13 LEU 9 23.236 3.477 0.410 80 HD21 LEU 9 HD21 LEU 9 21.301 4.171 -0.779 81 HD22 LEU 9 HD22 LEU 9 20.921 5.888 -1.054 82 HD23 LEU 9 HD23 LEU 9 20.591 5.146 0.530 83 H LYS 10 HN LYS 10 25.189 9.812 0.695 84 HA LYS 10 HA LYS 10 25.154 11.498 -0.919 85 HB2 LYS 10 HB2 LYS 10 26.234 10.787 -3.025 86 HB3 LYS 10 HB1 LYS 10 27.029 10.089 -1.603 87 HG2 LYS 10 HG2 LYS 10 26.009 7.940 -1.964 88 HG3 LYS 10 HG1 LYS 10 24.907 8.586 -3.200 89 HD2 LYS 10 HD2 LYS 10 27.910 8.830 -3.603 90 HD3 LYS 10 HD1 LYS 10 27.108 7.278 -3.927 91 HE2 LYS 10 HE2 LYS 10 25.530 8.439 -5.479 92 HE3 LYS 10 HE1 LYS 10 26.405 9.964 -5.201 93 HZ1 LYS 10 HZ1 LYS 10 28.318 9.128 -6.210 94 HZ2 LYS 10 HZ2 LYS 10 27.061 8.580 -7.214 95 HZ3 LYS 10 HZ3 LYS 10 27.800 7.516 -6.114 96 H SER 11 HN SER 11 24.703 11.415 -3.717 97 HA SER 11 HA SER 11 22.039 10.364 -4.238 98 HB2 SER 11 HB2 SER 11 20.758 12.353 -4.203 99 HB3 SER 11 HB1 SER 11 21.680 12.403 -2.685 100 HG SER 11 HG SER 11 22.355 13.683 -5.142 101 H LEU 12 HN LEU 12 25.014 11.603 -5.092 102 HA LEU 12 HA LEU 12 26.008 11.722 -7.190 103 HB2 LEU 12 HB2 LEU 12 23.930 10.108 -7.772 104 HB3 LEU 12 HB1 LEU 12 23.390 11.526 -8.694 105 HG LEU 12 HG LEU 12 26.065 10.077 -8.980 106 HD11 LEU 12 HD11 LEU 12 25.225 9.409 -11.153 107 HD12 LEU 12 HD12 LEU 12 23.781 10.433 -10.967 108 HD13 LEU 12 HD13 LEU 12 23.986 8.989 -9.946 109 HD21 LEU 12 HD21 LEU 12 24.973 12.645 -10.202 110 HD22 LEU 12 HD22 LEU 12 26.232 11.685 -11.015 111 HD23 LEU 12 HD23 LEU 12 26.540 12.375 -9.407 112 H LEU 13 HN LEU 13 22.794 13.313 -7.052 113 HA LEU 13 HA LEU 13 23.338 15.462 -8.799 114 HB2 LEU 13 HB2 LEU 13 21.736 15.719 -6.230 115 HB3 LEU 13 HB1 LEU 13 21.511 16.603 -7.756 116 HG LEU 13 HG LEU 13 21.036 13.628 -7.275 117 HD11 LEU 13 HD11 LEU 13 19.289 15.208 -6.442 118 HD12 LEU 13 HD12 LEU 13 18.704 14.195 -7.783 119 HD13 LEU 13 HD13 LEU 13 19.156 15.891 -8.080 120 HD21 LEU 13 HD21 LEU 13 21.091 15.303 -9.819 121 HD22 LEU 13 HD22 LEU 13 20.131 13.807 -9.711 122 HD23 LEU 13 HD23 LEU 13 21.895 13.747 -9.499 Start of MODEL 18 1 H1 LEU 1 HT1 LEU 1 30.332 13.279 -0.550 2 H2 LEU 1 HT2 LEU 1 29.127 12.139 -0.179 3 H3 LEU 1 HT3 LEU 1 28.711 13.764 -0.451 4 HA LEU 1 HA LEU 1 28.125 12.511 -2.349 5 HB2 LEU 1 HB2 LEU 1 30.706 13.958 -3.033 6 HB3 LEU 1 HB1 LEU 1 29.213 13.833 -3.994 7 HG LEU 1 HG LEU 1 29.550 15.338 -1.360 8 HD11 LEU 1 HD11 LEU 1 30.566 16.470 -3.301 9 HD12 LEU 1 HD12 LEU 1 29.089 17.322 -2.793 10 HD13 LEU 1 HD13 LEU 1 29.059 16.267 -4.226 11 HD21 LEU 1 HD21 LEU 1 27.131 14.767 -3.125 12 HD22 LEU 1 HD22 LEU 1 27.178 16.151 -2.005 13 HD23 LEU 1 HD23 LEU 1 27.307 14.493 -1.376 14 H LEU 2 HN LEU 2 29.711 10.674 -0.706 15 HA LEU 2 HA LEU 2 31.694 9.531 -2.602 16 HB2 LEU 2 HB2 LEU 2 30.801 8.924 0.235 17 HB3 LEU 2 HB1 LEU 2 31.806 7.770 -0.667 18 HG LEU 2 HG LEU 2 33.546 9.459 -0.986 19 HD11 LEU 2 HD11 LEU 2 31.496 11.294 0.321 20 HD12 LEU 2 HD12 LEU 2 32.331 11.500 -1.238 21 HD13 LEU 2 HD13 LEU 2 33.231 11.694 0.284 22 HD21 LEU 2 HD21 LEU 2 33.465 8.142 1.153 23 HD22 LEU 2 HD22 LEU 2 32.575 9.486 1.907 24 HD23 LEU 2 HD23 LEU 2 34.246 9.729 1.343 25 HA PRO 3 HA PRO 3 28.804 6.652 -4.351 26 HB2 PRO 3 HB2 PRO 3 30.405 4.531 -5.031 27 HB3 PRO 3 HB1 PRO 3 30.481 6.108 -5.879 28 HG2 PRO 3 HG2 PRO 3 32.256 5.039 -3.692 29 HG3 PRO 3 HG1 PRO 3 32.703 5.884 -5.208 30 HD2 PRO 3 HD2 PRO 3 32.572 7.183 -2.797 31 HD3 PRO 3 HD1 PRO 3 32.180 7.998 -4.345 32 H ILE 4 HN ILE 4 29.294 6.617 -1.365 33 HA ILE 4 HA ILE 4 27.996 4.005 -0.866 34 HB ILE 4 HB ILE 4 29.687 3.770 1.192 35 HG12 ILE 4 HG12 ILE 4 31.460 5.138 -0.886 36 HG13 ILE 4 HG11 ILE 4 30.801 5.991 0.523 37 HG21 ILE 4 HG21 ILE 4 31.075 2.252 -0.128 38 HG22 ILE 4 HG22 ILE 4 30.601 3.066 -1.635 39 HG23 ILE 4 HG23 ILE 4 29.400 2.140 -0.706 40 HD11 ILE 4 HD1 ILE 4 31.875 4.055 1.926 41 HD12 ILE 4 HD2 ILE 4 32.945 5.300 1.248 42 HD13 ILE 4 HD3 ILE 4 32.811 3.719 0.451 43 H VAL 5 HN VAL 5 29.605 5.595 1.758 44 HA VAL 5 HA VAL 5 27.009 6.928 2.543 45 HB VAL 5 HB VAL 5 27.977 6.588 4.944 46 HG11 VAL 5 HG11 VAL 5 27.024 4.314 5.073 47 HG12 VAL 5 HG12 VAL 5 27.134 4.156 3.304 48 HG13 VAL 5 HG13 VAL 5 26.027 5.349 4.024 49 HG21 VAL 5 HG21 VAL 5 29.556 4.761 5.218 50 HG22 VAL 5 HG22 VAL 5 30.266 5.911 4.062 51 HG23 VAL 5 HG23 VAL 5 29.522 4.405 3.475 52 H GLY 6 HN GLY 6 27.895 8.764 1.280 53 HA2 GLY 6 HA1 GLY 6 30.298 10.086 2.239 54 HA3 GLY 6 HA2 GLY 6 29.085 10.756 1.129 55 H ASN 7 HN ASN 7 26.787 10.707 2.591 56 HA ASN 7 HA ASN 7 27.313 11.991 5.217 57 HB2 ASN 7 HB2 ASN 7 26.020 14.034 4.580 58 HB3 ASN 7 HB1 ASN 7 27.567 13.897 3.710 59 HD21 ASN 7 HD21 ASN 7 25.339 15.448 2.694 60 HD22 ASN 7 HD22 ASN 7 24.775 14.649 1.222 61 H LEU 8 HN LEU 8 25.237 10.686 2.731 62 HA LEU 8 HA LEU 8 23.446 9.547 4.670 63 HB2 LEU 8 HB2 LEU 8 22.738 12.029 4.638 64 HB3 LEU 8 HB1 LEU 8 22.185 11.732 2.977 65 HG LEU 8 HG LEU 8 20.900 9.667 4.064 66 HD11 LEU 8 HD11 LEU 8 21.348 11.516 6.455 67 HD12 LEU 8 HD12 LEU 8 21.827 9.809 6.321 68 HD13 LEU 8 HD13 LEU 8 20.108 10.246 6.388 69 HD21 LEU 8 HD21 LEU 8 20.018 12.557 4.496 70 HD22 LEU 8 HD22 LEU 8 18.944 11.138 4.501 71 HD23 LEU 8 HD23 LEU 8 19.795 11.606 3.009 72 H LEU 9 HN LEU 9 24.943 8.429 2.720 73 HA LEU 9 HA LEU 9 24.673 6.824 1.070 74 HB2 LEU 9 HB2 LEU 9 22.189 6.843 2.174 75 HB3 LEU 9 HB1 LEU 9 21.764 7.453 0.562 76 HG LEU 9 HG LEU 9 23.339 4.888 1.105 77 HD11 LEU 9 HD11 LEU 9 21.037 4.635 1.860 78 HD12 LEU 9 HD12 LEU 9 21.219 3.788 0.305 79 HD13 LEU 9 HD13 LEU 9 20.422 5.379 0.364 80 HD21 LEU 9 HD21 LEU 9 22.838 4.464 -1.318 81 HD22 LEU 9 HD22 LEU 9 23.881 5.885 -1.072 82 HD23 LEU 9 HD23 LEU 9 22.150 6.099 -1.433 83 H LYS 10 HN LYS 10 25.586 9.417 0.545 84 HA LYS 10 HA LYS 10 26.053 10.784 -1.265 85 HB2 LYS 10 HB2 LYS 10 26.204 8.435 -2.354 86 HB3 LYS 10 HB1 LYS 10 24.609 8.793 -3.052 87 HG2 LYS 10 HG2 LYS 10 25.512 10.835 -4.109 88 HG3 LYS 10 HG1 LYS 10 27.105 10.519 -3.381 89 HD2 LYS 10 HD2 LYS 10 27.065 8.255 -4.575 90 HD3 LYS 10 HD1 LYS 10 25.644 8.850 -5.467 91 HE2 LYS 10 HE2 LYS 10 27.542 9.333 -6.854 92 HE3 LYS 10 HE1 LYS 10 27.070 10.883 -6.116 93 HZ1 LYS 10 HZ1 LYS 10 29.063 11.023 -5.191 94 HZ2 LYS 10 HZ2 LYS 10 29.533 9.577 -5.951 95 HZ3 LYS 10 HZ3 LYS 10 28.849 9.541 -4.396 96 H SER 11 HN SER 11 25.098 12.262 -2.844 97 HA SER 11 HA SER 11 22.173 12.346 -3.077 98 HB2 SER 11 HB2 SER 11 22.490 13.256 -0.791 99 HB3 SER 11 HB1 SER 11 23.601 14.482 -1.442 100 HG SER 11 HG SER 11 21.933 15.405 -2.530 101 H LEU 12 HN LEU 12 23.842 12.104 -5.118 102 HA LEU 12 HA LEU 12 25.021 14.462 -6.169 103 HB2 LEU 12 HB2 LEU 12 25.221 12.063 -7.032 104 HB3 LEU 12 HB1 LEU 12 23.638 12.303 -7.800 105 HG LEU 12 HG LEU 12 24.752 14.481 -8.827 106 HD11 LEU 12 HD11 LEU 12 26.855 14.464 -7.594 107 HD12 LEU 12 HD12 LEU 12 27.207 14.087 -9.293 108 HD13 LEU 12 HD13 LEU 12 27.182 12.786 -8.082 109 HD21 LEU 12 HD21 LEU 12 25.542 11.681 -9.753 110 HD22 LEU 12 HD22 LEU 12 25.563 13.151 -10.758 111 HD23 LEU 12 HD23 LEU 12 24.019 12.515 -10.141 112 H LEU 13 HN LEU 13 21.673 13.385 -6.042 113 HA LEU 13 HA LEU 13 20.743 16.047 -6.732 114 HB2 LEU 13 HB2 LEU 13 21.398 14.795 -8.980 115 HB3 LEU 13 HB1 LEU 13 19.856 13.948 -8.734 116 HG LEU 13 HG LEU 13 20.230 16.977 -8.864 117 HD11 LEU 13 HD11 LEU 13 18.880 15.058 -10.813 118 HD12 LEU 13 HD12 LEU 13 20.509 15.740 -11.034 119 HD13 LEU 13 HD13 LEU 13 19.089 16.812 -11.018 120 HD21 LEU 13 HD21 LEU 13 18.361 16.585 -7.436 121 HD22 LEU 13 HD22 LEU 13 17.816 15.183 -8.388 122 HD23 LEU 13 HD23 LEU 13 17.639 16.829 -9.041 Start of MODEL 19 1 H1 LEU 1 HT1 LEU 1 30.526 8.349 6.763 2 H2 LEU 1 HT2 LEU 1 30.325 8.526 5.085 3 H3 LEU 1 HT3 LEU 1 29.993 9.827 6.127 4 HA LEU 1 HA LEU 1 32.036 10.293 5.148 5 HB2 LEU 1 HB2 LEU 1 32.753 9.049 7.824 6 HB3 LEU 1 HB1 LEU 1 33.416 10.517 7.069 7 HG LEU 1 HG LEU 1 30.574 10.148 8.116 8 HD11 LEU 1 HD11 LEU 1 32.811 12.000 9.043 9 HD12 LEU 1 HD12 LEU 1 32.420 10.444 9.815 10 HD13 LEU 1 HD13 LEU 1 31.224 11.763 9.814 11 HD21 LEU 1 HD21 LEU 1 31.946 12.413 6.610 12 HD22 LEU 1 HD22 LEU 1 30.512 12.691 7.629 13 HD23 LEU 1 HD23 LEU 1 30.407 11.607 6.225 14 H LEU 2 HN LEU 2 31.306 7.614 4.224 15 HA LEU 2 HA LEU 2 34.074 6.443 4.066 16 HB2 LEU 2 HB2 LEU 2 31.470 4.869 4.174 17 HB3 LEU 2 HB1 LEU 2 33.113 4.201 4.123 18 HG LEU 2 HG LEU 2 32.110 6.009 6.369 19 HD11 LEU 2 HD11 LEU 2 32.256 2.964 6.247 20 HD12 LEU 2 HD12 LEU 2 30.765 3.937 6.275 21 HD13 LEU 2 HD13 LEU 2 31.849 3.928 7.687 22 HD21 LEU 2 HD21 LEU 2 34.511 5.991 6.317 23 HD22 LEU 2 HD22 LEU 2 34.568 4.251 5.952 24 HD23 LEU 2 HD23 LEU 2 34.060 4.808 7.562 25 HA PRO 3 HA PRO 3 33.883 6.703 -0.373 26 HB2 PRO 3 HB2 PRO 3 34.096 3.679 -0.237 27 HB3 PRO 3 HB1 PRO 3 34.926 4.824 -1.343 28 HG2 PRO 3 HG2 PRO 3 36.177 3.828 0.808 29 HG3 PRO 3 HG1 PRO 3 36.423 5.523 0.289 30 HD2 PRO 3 HD2 PRO 3 34.942 4.488 2.674 31 HD3 PRO 3 HD1 PRO 3 35.661 6.107 2.394 32 H ILE 4 HN ILE 4 32.073 3.978 1.103 33 HA ILE 4 HA ILE 4 30.105 3.867 -1.025 34 HB ILE 4 HB ILE 4 29.724 2.894 1.837 35 HG12 ILE 4 HG12 ILE 4 31.162 1.541 -0.494 36 HG13 ILE 4 HG11 ILE 4 31.917 2.113 1.012 37 HG21 ILE 4 HG21 ILE 4 28.756 1.688 -0.788 38 HG22 ILE 4 HG22 ILE 4 27.809 2.898 0.110 39 HG23 ILE 4 HG23 ILE 4 28.190 1.332 0.861 40 HD11 ILE 4 HD1 ILE 4 31.588 -0.209 1.382 41 HD12 ILE 4 HD2 ILE 4 29.978 -0.191 0.625 42 HD13 ILE 4 HD3 ILE 4 30.219 0.553 2.226 43 H VAL 5 HN VAL 5 29.732 4.795 2.430 44 HA VAL 5 HA VAL 5 27.271 6.257 1.827 45 HB VAL 5 HB VAL 5 28.804 6.615 4.427 46 HG11 VAL 5 HG11 VAL 5 25.855 5.998 3.985 47 HG12 VAL 5 HG12 VAL 5 26.491 7.650 3.836 48 HG13 VAL 5 HG13 VAL 5 26.629 6.781 5.383 49 HG21 VAL 5 HG21 VAL 5 27.721 4.431 5.183 50 HG22 VAL 5 HG22 VAL 5 29.086 4.252 4.056 51 HG23 VAL 5 HG23 VAL 5 27.415 4.079 3.465 52 H GLY 6 HN GLY 6 28.108 8.349 3.907 53 HA2 GLY 6 HA1 GLY 6 30.055 10.078 3.492 54 HA3 GLY 6 HA2 GLY 6 29.255 10.263 1.915 55 H ASN 7 HN ASN 7 27.357 11.366 1.730 56 HA ASN 7 HA ASN 7 26.532 12.898 4.181 57 HB2 ASN 7 HB2 ASN 7 27.182 14.119 2.048 58 HB3 ASN 7 HB1 ASN 7 25.757 13.387 1.277 59 HD21 ASN 7 HD21 ASN 7 25.032 15.745 1.066 60 HD22 ASN 7 HD22 ASN 7 24.220 16.469 2.457 61 H LEU 8 HN LEU 8 25.810 10.332 4.331 62 HA LEU 8 HA LEU 8 23.959 9.015 4.740 63 HB2 LEU 8 HB2 LEU 8 22.158 11.285 3.814 64 HB3 LEU 8 HB1 LEU 8 21.770 9.946 4.912 65 HG LEU 8 HG LEU 8 23.639 12.292 5.466 66 HD11 LEU 8 HD11 LEU 8 21.130 11.315 6.892 67 HD12 LEU 8 HD12 LEU 8 21.152 12.627 5.688 68 HD13 LEU 8 HD13 LEU 8 22.038 12.810 7.222 69 HD21 LEU 8 HD21 LEU 8 24.725 10.412 6.478 70 HD22 LEU 8 HD22 LEU 8 23.176 9.683 6.969 71 HD23 LEU 8 HD23 LEU 8 23.771 11.150 7.786 72 H LEU 9 HN LEU 9 24.999 7.988 2.858 73 HA LEU 9 HA LEU 9 24.764 6.824 0.875 74 HB2 LEU 9 HB2 LEU 9 21.871 7.760 0.773 75 HB3 LEU 9 HB1 LEU 9 22.580 6.316 0.023 76 HG LEU 9 HG LEU 9 22.482 6.778 3.040 77 HD11 LEU 9 HD11 LEU 9 20.614 5.133 3.010 78 HD12 LEU 9 HD12 LEU 9 20.638 5.161 1.230 79 HD13 LEU 9 HD13 LEU 9 20.200 6.627 2.138 80 HD21 LEU 9 HD21 LEU 9 23.187 4.411 1.250 81 HD22 LEU 9 HD22 LEU 9 22.811 4.231 2.980 82 HD23 LEU 9 HD23 LEU 9 24.211 5.199 2.472 83 H LYS 10 HN LYS 10 25.190 9.872 1.121 84 HA LYS 10 HA LYS 10 25.324 11.706 -0.320 85 HB2 LYS 10 HB2 LYS 10 27.182 10.278 -1.057 86 HB3 LYS 10 HB1 LYS 10 26.106 9.451 -2.208 87 HG2 LYS 10 HG2 LYS 10 25.844 11.413 -3.545 88 HG3 LYS 10 HG1 LYS 10 26.492 12.470 -2.269 89 HD2 LYS 10 HD2 LYS 10 28.145 12.075 -4.098 90 HD3 LYS 10 HD1 LYS 10 28.721 11.473 -2.527 91 HE2 LYS 10 HE2 LYS 10 27.254 9.644 -4.462 92 HE3 LYS 10 HE1 LYS 10 29.006 9.922 -4.599 93 HZ1 LYS 10 HZ1 LYS 10 28.609 9.455 -1.939 94 HZ2 LYS 10 HZ2 LYS 10 29.209 8.339 -3.073 95 HZ3 LYS 10 HZ3 LYS 10 27.555 8.356 -2.686 96 H SER 11 HN SER 11 24.559 9.641 -3.074 97 HA SER 11 HA SER 11 22.939 9.955 -4.715 98 HB2 SER 11 HB2 SER 11 20.614 9.798 -3.868 99 HB3 SER 11 HB1 SER 11 21.691 8.629 -3.073 100 HG SER 11 HG SER 11 20.681 11.095 -2.092 101 H LEU 12 HN LEU 12 24.221 12.428 -3.497 102 HA LEU 12 HA LEU 12 23.972 14.730 -3.662 103 HB2 LEU 12 HB2 LEU 12 21.838 14.185 -5.752 104 HB3 LEU 12 HB1 LEU 12 22.971 15.554 -5.656 105 HG LEU 12 HG LEU 12 23.685 12.641 -6.215 106 HD11 LEU 12 HD11 LEU 12 24.385 13.543 -8.416 107 HD12 LEU 12 HD12 LEU 12 23.843 15.165 -7.923 108 HD13 LEU 12 HD13 LEU 12 22.658 13.851 -8.117 109 HD21 LEU 12 HD21 LEU 12 25.383 15.123 -5.727 110 HD22 LEU 12 HD22 LEU 12 25.997 13.736 -6.660 111 HD23 LEU 12 HD23 LEU 12 25.518 13.522 -4.961 112 H LEU 13 HN LEU 13 22.613 13.689 -1.539 113 HA LEU 13 HA LEU 13 19.841 14.231 -1.398 114 HB2 LEU 13 HB2 LEU 13 20.930 13.025 0.378 115 HB3 LEU 13 HB1 LEU 13 22.041 14.372 0.699 116 HG LEU 13 HG LEU 13 20.248 15.747 1.576 117 HD11 LEU 13 HD11 LEU 13 17.887 14.681 1.719 118 HD12 LEU 13 HD12 LEU 13 18.455 13.549 0.469 119 HD13 LEU 13 HD13 LEU 13 18.402 15.296 0.132 120 HD21 LEU 13 HD21 LEU 13 19.795 12.921 2.626 121 HD22 LEU 13 HD22 LEU 13 19.608 14.452 3.517 122 HD23 LEU 13 HD23 LEU 13 21.227 13.900 3.025 Start of MODEL 20 1 H1 LEU 1 HT1 LEU 1 33.444 12.417 -1.299 2 H2 LEU 1 HT2 LEU 1 33.017 13.120 0.186 3 H3 LEU 1 HT3 LEU 1 32.232 13.599 -1.241 4 HA LEU 1 HA LEU 1 31.288 11.836 0.494 5 HB2 LEU 1 HB2 LEU 1 29.643 11.327 -1.174 6 HB3 LEU 1 HB1 LEU 1 30.148 13.008 -1.435 7 HG LEU 1 HG LEU 1 31.086 10.567 -3.021 8 HD11 LEU 1 HD11 LEU 1 28.752 11.448 -3.435 9 HD12 LEU 1 HD12 LEU 1 29.834 11.546 -4.845 10 HD13 LEU 1 HD13 LEU 1 29.484 13.006 -3.889 11 HD21 LEU 1 HD21 LEU 1 32.966 12.033 -3.007 12 HD22 LEU 1 HD22 LEU 1 31.945 13.490 -3.030 13 HD23 LEU 1 HD23 LEU 1 32.097 12.482 -4.488 14 H LEU 2 HN LEU 2 30.999 9.616 0.687 15 HA LEU 2 HA LEU 2 33.265 8.021 -0.436 16 HB2 LEU 2 HB2 LEU 2 31.361 7.745 1.903 17 HB3 LEU 2 HB1 LEU 2 32.169 6.293 1.272 18 HG LEU 2 HG LEU 2 34.369 7.321 1.624 19 HD11 LEU 2 HD11 LEU 2 32.705 9.729 2.466 20 HD12 LEU 2 HD12 LEU 2 33.934 9.644 1.182 21 HD13 LEU 2 HD13 LEU 2 34.424 9.549 2.889 22 HD21 LEU 2 HD21 LEU 2 34.291 7.517 4.117 23 HD22 LEU 2 HD22 LEU 2 33.361 6.120 3.521 24 HD23 LEU 2 HD23 LEU 2 32.515 7.601 4.034 25 HA PRO 3 HA PRO 3 30.567 5.958 -3.283 26 HB2 PRO 3 HB2 PRO 3 31.765 3.522 -3.601 27 HB3 PRO 3 HB1 PRO 3 32.525 5.042 -4.179 28 HG2 PRO 3 HG2 PRO 3 33.045 3.506 -1.637 29 HG3 PRO 3 HG1 PRO 3 34.217 4.204 -2.801 30 HD2 PRO 3 HD2 PRO 3 33.528 5.484 -0.470 31 HD3 PRO 3 HD1 PRO 3 33.958 6.377 -1.967 32 H ILE 4 HN ILE 4 30.105 5.666 -0.221 33 HA ILE 4 HA ILE 4 28.015 3.605 -0.502 34 HB ILE 4 HB ILE 4 28.785 2.373 1.587 35 HG12 ILE 4 HG12 ILE 4 31.340 3.939 0.986 36 HG13 ILE 4 HG11 ILE 4 30.365 4.017 2.470 37 HG21 ILE 4 HG21 ILE 4 29.134 1.596 -0.848 38 HG22 ILE 4 HG22 ILE 4 30.197 0.870 0.375 39 HG23 ILE 4 HG23 ILE 4 30.810 2.166 -0.678 40 HD11 ILE 4 HD1 ILE 4 30.819 1.463 2.675 41 HD12 ILE 4 HD2 ILE 4 32.159 2.575 3.040 42 HD13 ILE 4 HD3 ILE 4 32.103 1.738 1.472 43 H VAL 5 HN VAL 5 29.803 5.823 1.686 44 HA VAL 5 HA VAL 5 27.178 6.840 2.659 45 HB VAL 5 HB VAL 5 29.296 5.814 4.607 46 HG11 VAL 5 HG11 VAL 5 28.127 7.749 5.489 47 HG12 VAL 5 HG12 VAL 5 27.435 6.308 6.266 48 HG13 VAL 5 HG13 VAL 5 26.558 7.114 4.944 49 HG21 VAL 5 HG21 VAL 5 26.578 4.707 3.770 50 HG22 VAL 5 HG22 VAL 5 27.433 4.193 5.242 51 HG23 VAL 5 HG23 VAL 5 28.159 3.899 3.647 52 H GLY 6 HN GLY 6 27.920 8.691 1.435 53 HA2 GLY 6 HA1 GLY 6 30.362 10.057 2.308 54 HA3 GLY 6 HA2 GLY 6 29.158 10.652 1.147 55 H ASN 7 HN ASN 7 26.832 10.609 2.603 56 HA ASN 7 HA ASN 7 27.300 12.019 5.170 57 HB2 ASN 7 HB2 ASN 7 27.581 13.832 3.503 58 HB3 ASN 7 HB1 ASN 7 25.994 13.431 2.802 59 HD21 ASN 7 HD21 ASN 7 27.641 15.071 5.447 60 HD22 ASN 7 HD22 ASN 7 26.176 15.652 6.246 61 H LEU 8 HN LEU 8 25.258 10.682 2.669 62 HA LEU 8 HA LEU 8 23.430 9.543 4.572 63 HB2 LEU 8 HB2 LEU 8 22.719 12.015 4.577 64 HB3 LEU 8 HB1 LEU 8 22.238 11.775 2.883 65 HG LEU 8 HG LEU 8 20.892 9.687 3.847 66 HD11 LEU 8 HD11 LEU 8 20.005 10.191 6.148 67 HD12 LEU 8 HD12 LEU 8 21.230 11.469 6.308 68 HD13 LEU 8 HD13 LEU 8 21.731 9.770 6.148 69 HD21 LEU 8 HD21 LEU 8 19.849 11.668 2.803 70 HD22 LEU 8 HD22 LEU 8 20.013 12.572 4.327 71 HD23 LEU 8 HD23 LEU 8 18.928 11.163 4.240 72 H LEU 9 HN LEU 9 24.898 8.348 2.717 73 HA LEU 9 HA LEU 9 24.741 6.873 0.948 74 HB2 LEU 9 HB2 LEU 9 22.410 6.478 2.069 75 HB3 LEU 9 HB1 LEU 9 21.766 7.454 0.731 76 HG LEU 9 HG LEU 9 23.214 5.794 -0.786 77 HD11 LEU 9 HD11 LEU 9 23.220 3.485 0.181 78 HD12 LEU 9 HD12 LEU 9 22.728 4.162 1.750 79 HD13 LEU 9 HD13 LEU 9 24.310 4.583 1.056 80 HD21 LEU 9 HD21 LEU 9 20.775 5.972 -0.921 81 HD22 LEU 9 HD22 LEU 9 20.592 5.015 0.568 82 HD23 LEU 9 HD23 LEU 9 21.238 4.253 -0.905 83 H LYS 10 HN LYS 10 25.423 9.585 0.537 84 HA LYS 10 HA LYS 10 25.734 11.073 -1.213 85 HB2 LYS 10 HB2 LYS 10 24.565 8.944 -3.039 86 HB3 LYS 10 HB1 LYS 10 25.721 10.231 -3.454 87 HG2 LYS 10 HG2 LYS 10 27.319 9.173 -1.755 88 HG3 LYS 10 HG1 LYS 10 26.204 7.787 -1.705 89 HD2 LYS 10 HD2 LYS 10 27.638 8.874 -4.171 90 HD3 LYS 10 HD1 LYS 10 27.994 7.348 -3.328 91 HE2 LYS 10 HE2 LYS 10 25.561 8.073 -4.991 92 HE3 LYS 10 HE1 LYS 10 26.641 6.670 -5.150 93 HZ1 LYS 10 HZ1 LYS 10 24.900 5.712 -4.073 94 HZ2 LYS 10 HZ2 LYS 10 24.444 7.133 -3.262 95 HZ3 LYS 10 HZ3 LYS 10 25.776 6.231 -2.717 96 H SER 11 HN SER 11 24.639 12.507 -2.717 97 HA SER 11 HA SER 11 21.768 12.259 -3.115 98 HB2 SER 11 HB2 SER 11 21.042 14.096 -1.693 99 HB3 SER 11 HB1 SER 11 21.852 12.875 -0.689 100 HG SER 11 HG SER 11 23.061 15.221 -1.770 101 H LEU 12 HN LEU 12 24.803 13.464 -3.761 102 HA LEU 12 HA LEU 12 25.605 15.046 -5.260 103 HB2 LEU 12 HB2 LEU 12 22.870 14.926 -6.574 104 HB3 LEU 12 HB1 LEU 12 24.452 15.219 -7.335 105 HG LEU 12 HG LEU 12 23.507 12.617 -6.052 106 HD11 LEU 12 HD11 LEU 12 24.156 13.391 -8.932 107 HD12 LEU 12 HD12 LEU 12 22.534 13.072 -8.273 108 HD13 LEU 12 HD13 LEU 12 23.727 11.755 -8.378 109 HD21 LEU 12 HD21 LEU 12 25.734 11.788 -7.107 110 HD22 LEU 12 HD22 LEU 12 25.850 12.733 -5.606 111 HD23 LEU 12 HD23 LEU 12 26.197 13.505 -7.172 112 H LEU 13 HN LEU 13 24.615 16.116 -2.871 113 HA LEU 13 HA LEU 13 23.900 18.125 -1.952 114 HB2 LEU 13 HB2 LEU 13 24.444 19.373 -4.668 115 HB3 LEU 13 HB1 LEU 13 24.620 20.104 -3.055 116 HG LEU 13 HG LEU 13 26.305 17.822 -4.184 117 HD11 LEU 13 HD11 LEU 13 26.810 20.028 -5.177 118 HD12 LEU 13 HD12 LEU 13 28.127 19.504 -4.102 119 HD13 LEU 13 HD13 LEU 13 26.964 20.733 -3.550 120 HD21 LEU 13 HD21 LEU 13 26.231 19.215 -1.474 121 HD22 LEU 13 HD22 LEU 13 27.679 18.358 -2.056 122 HD23 LEU 13 HD23 LEU 13 26.156 17.470 -1.820
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