NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
628074 | 6gij | 34272 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 LYS 1 HT1 LYS 1 20.386 13.647 0.047 2 H2 LYS 1 HT2 LYS 1 19.223 13.857 1.269 3 H3 LYS 1 HT3 LYS 1 19.197 14.843 -0.115 4 HA LYS 1 HA LYS 1 17.715 12.653 0.257 5 HB2 LYS 1 HB2 LYS 1 17.540 14.558 -1.435 6 HB3 LYS 1 HB1 LYS 1 18.675 13.641 -2.454 7 HG2 LYS 1 HG2 LYS 1 17.053 11.649 -2.195 8 HG3 LYS 1 HG1 LYS 1 15.888 12.823 -1.540 9 HD2 LYS 1 HD2 LYS 1 17.215 12.923 -4.286 10 HD3 LYS 1 HD1 LYS 1 15.510 12.542 -3.949 11 HE2 LYS 1 HE2 LYS 1 16.952 15.195 -3.633 12 HE3 LYS 1 HE1 LYS 1 15.483 14.835 -4.567 13 HZ1 LYS 1 HZ1 LYS 1 14.669 15.835 -2.666 14 HZ2 LYS 1 HZ2 LYS 1 15.805 15.097 -1.641 15 HZ3 LYS 1 HZ3 LYS 1 14.521 14.190 -2.285 16 H LYS 2 HN LYS 2 19.494 11.185 1.158 17 HA LYS 2 HA LYS 2 20.831 9.301 0.912 18 HB2 LYS 2 HB2 LYS 2 18.968 9.093 -1.480 19 HB3 LYS 2 HB1 LYS 2 20.174 7.835 -1.127 20 HG2 LYS 2 HG2 LYS 2 17.917 7.340 -0.147 21 HG3 LYS 2 HG1 LYS 2 19.204 7.445 1.077 22 HD2 LYS 2 HD2 LYS 2 18.491 9.590 1.821 23 HD3 LYS 2 HD1 LYS 2 17.504 9.867 0.365 24 HE2 LYS 2 HE2 LYS 2 16.082 9.308 2.314 25 HE3 LYS 2 HE1 LYS 2 15.971 8.048 1.062 26 HZ1 LYS 2 HZ1 LYS 2 17.445 7.974 3.631 27 HZ2 LYS 2 HZ2 LYS 2 17.833 6.917 2.358 28 HZ3 LYS 2 HZ3 LYS 2 16.280 6.889 3.046 29 H LEU 3 HN LEU 3 22.045 7.979 -1.067 30 HA LEU 3 HA LEU 3 23.929 8.076 -2.407 31 HB2 LEU 3 HB2 LEU 3 23.053 10.850 -3.290 32 HB3 LEU 3 HB1 LEU 3 24.013 9.653 -4.189 33 HG LEU 3 HG LEU 3 21.068 9.413 -3.426 34 HD11 LEU 3 HD11 LEU 3 20.679 9.552 -5.827 35 HD12 LEU 3 HD12 LEU 3 22.430 9.568 -6.150 36 HD13 LEU 3 HD13 LEU 3 21.662 10.950 -5.332 37 HD21 LEU 3 HD21 LEU 3 21.945 7.193 -3.310 38 HD22 LEU 3 HD22 LEU 3 23.035 7.460 -4.692 39 HD23 LEU 3 HD23 LEU 3 21.279 7.325 -4.953 40 H LEU 4 HN LEU 4 23.390 9.871 0.256 41 HA LEU 4 HA LEU 4 25.649 11.724 0.106 42 HB2 LEU 4 HB2 LEU 4 24.391 10.711 2.675 43 HB3 LEU 4 HB1 LEU 4 25.170 12.276 2.357 44 HG LEU 4 HG LEU 4 22.549 11.302 1.145 45 HD11 LEU 4 HD11 LEU 4 22.364 11.919 3.522 46 HD12 LEU 4 HD12 LEU 4 21.576 13.146 2.502 47 HD13 LEU 4 HD13 LEU 4 23.183 13.465 3.198 48 HD21 LEU 4 HD21 LEU 4 24.210 13.828 0.762 49 HD22 LEU 4 HD22 LEU 4 22.471 13.769 0.385 50 HD23 LEU 4 HD23 LEU 4 23.606 12.714 -0.486 51 HA PRO 5 HA PRO 5 27.971 8.333 2.458 52 HB2 PRO 5 HB2 PRO 5 27.008 5.833 2.741 53 HB3 PRO 5 HB1 PRO 5 26.361 7.184 3.727 54 HG2 PRO 5 HG2 PRO 5 25.165 5.828 1.333 55 HG3 PRO 5 HG1 PRO 5 24.362 6.491 2.789 56 HD2 PRO 5 HD2 PRO 5 24.634 7.807 0.261 57 HD3 PRO 5 HD1 PRO 5 24.102 8.566 1.795 58 H ILE 6 HN ILE 6 27.820 8.848 -0.404 59 HA ILE 6 HA ILE 6 29.450 6.529 -1.340 60 HB ILE 6 HB ILE 6 27.244 7.682 -3.104 61 HG12 ILE 6 HG12 ILE 6 27.208 5.185 -1.346 62 HG13 ILE 6 HG11 ILE 6 26.147 6.605 -1.198 63 HG21 ILE 6 HG21 ILE 6 27.763 5.844 -4.548 64 HG22 ILE 6 HG22 ILE 6 28.720 5.024 -3.291 65 HG23 ILE 6 HG23 ILE 6 29.336 6.510 -4.054 66 HD11 ILE 6 HD1 ILE 6 24.829 5.021 -2.377 67 HD12 ILE 6 HD2 ILE 6 26.197 4.504 -3.389 68 HD13 ILE 6 HD3 ILE 6 25.446 6.097 -3.652 69 H VAL 7 HN VAL 7 27.960 9.614 -2.454 70 HA VAL 7 HA VAL 7 30.134 10.303 -4.151 71 HB VAL 7 HB VAL 7 28.241 12.191 -2.743 72 HG11 VAL 7 HG11 VAL 7 30.070 13.391 -3.783 73 HG12 VAL 7 HG12 VAL 7 28.655 13.565 -4.848 74 HG13 VAL 7 HG13 VAL 7 29.946 12.411 -5.263 75 HG21 VAL 7 HG21 VAL 7 26.780 11.947 -4.697 76 HG22 VAL 7 HG22 VAL 7 27.079 10.342 -3.990 77 HG23 VAL 7 HG23 VAL 7 27.941 10.839 -5.466 78 H ALA 8 HN ALA 8 29.495 10.641 -0.919 79 HA ALA 8 HA ALA 8 31.596 12.580 -0.288 80 HB1 ALA 8 HB1 ALA 8 29.609 12.426 1.116 81 HB2 ALA 8 HB2 ALA 8 31.055 12.013 2.068 82 HB3 ALA 8 HB3 ALA 8 29.972 10.725 1.488 83 H ASN 9 HN ASN 9 31.299 9.087 -0.510 84 HA ASN 9 HA ASN 9 33.691 8.481 1.013 85 HB2 ASN 9 HB2 ASN 9 31.873 6.836 0.557 86 HB3 ASN 9 HB1 ASN 9 32.325 6.851 -1.165 87 HD21 ASN 9 HD21 ASN 9 32.604 4.826 1.317 88 HD22 ASN 9 HD22 ASN 9 34.254 4.236 1.093 89 H LEU 10 HN LEU 10 32.965 9.058 -2.424 90 HA LEU 10 HA LEU 10 35.685 8.436 -3.288 91 HB2 LEU 10 HB2 LEU 10 33.566 8.280 -4.707 92 HB3 LEU 10 HB1 LEU 10 33.576 10.056 -4.759 93 HG LEU 10 HG LEU 10 36.087 9.758 -5.579 94 HD11 LEU 10 HD11 LEU 10 36.316 7.679 -6.995 95 HD12 LEU 10 HD12 LEU 10 34.852 7.037 -6.218 96 HD13 LEU 10 HD13 LEU 10 36.310 7.351 -5.249 97 HD21 LEU 10 HD21 LEU 10 34.254 10.698 -6.950 98 HD22 LEU 10 HD22 LEU 10 33.711 9.054 -7.361 99 HD23 LEU 10 HD23 LEU 10 35.295 9.635 -7.926 100 H LEU 11 HN LEU 11 33.874 11.313 -2.312 101 HA LEU 11 HA LEU 11 35.598 13.310 -3.323 102 HB2 LEU 11 HB2 LEU 11 33.314 13.442 -2.008 103 HB3 LEU 11 HB1 LEU 11 34.346 13.562 -0.569 104 HG LEU 11 HG LEU 11 34.424 15.396 -3.009 105 HD11 LEU 11 HD11 LEU 11 33.667 15.990 -0.117 106 HD12 LEU 11 HD12 LEU 11 32.483 15.643 -1.399 107 HD13 LEU 11 HD13 LEU 11 33.524 17.082 -1.514 108 HD21 LEU 11 HD21 LEU 11 35.980 16.731 -1.391 109 HD22 LEU 11 HD22 LEU 11 36.667 15.318 -2.221 110 HD23 LEU 11 HD23 LEU 11 36.162 15.191 -0.518 111 H LYS 12 HN LYS 12 35.568 12.387 0.150 112 HA LYS 12 HA LYS 12 38.326 13.281 0.458 113 HB2 LYS 12 HB2 LYS 12 36.429 11.764 2.291 114 HB3 LYS 12 HB1 LYS 12 38.053 12.313 2.771 115 HG2 LYS 12 HG2 LYS 12 37.419 14.652 2.223 116 HG3 LYS 12 HG1 LYS 12 35.787 14.096 1.777 117 HD2 LYS 12 HD2 LYS 12 35.433 13.246 4.068 118 HD3 LYS 12 HD1 LYS 12 37.074 13.764 4.523 119 HE2 LYS 12 HE2 LYS 12 34.860 15.612 3.529 120 HE3 LYS 12 HE1 LYS 12 35.358 15.423 5.227 121 HZ1 LYS 12 HZ1 LYS 12 36.638 16.867 3.077 122 HZ2 LYS 12 HZ2 LYS 12 37.702 15.887 3.969 123 HZ3 LYS 12 HZ3 LYS 12 36.772 17.072 4.756 124 H SER 13 HN SER 13 37.258 10.203 1.802 125 HA SER 13 HA SER 13 38.746 8.550 -0.062 126 HB2 SER 13 HB2 SER 13 40.026 9.189 2.623 127 HB3 SER 13 HB1 SER 13 40.512 7.838 1.576 128 HG SER 13 HG SER 13 41.482 9.211 0.302 129 H LEU 14 HN LEU 14 39.128 7.717 3.272 130 HA LEU 14 HA LEU 14 37.325 5.453 2.975 131 HB2 LEU 14 HB2 LEU 14 38.474 6.514 5.582 132 HB3 LEU 14 HB1 LEU 14 38.009 4.844 5.180 133 HG LEU 14 HG LEU 14 40.294 6.408 3.892 134 HD11 LEU 14 HD11 LEU 14 41.749 4.873 5.133 135 HD12 LEU 14 HD12 LEU 14 40.331 4.042 5.818 136 HD13 LEU 14 HD13 LEU 14 40.680 5.729 6.270 137 HD21 LEU 14 HD21 LEU 14 39.164 3.607 3.482 138 HD22 LEU 14 HD22 LEU 14 40.839 4.017 3.040 139 HD23 LEU 14 HD23 LEU 14 39.484 4.859 2.258 140 H LEU 15 HN LEU 15 37.309 8.338 5.121 141 HA LEU 15 HA LEU 15 34.585 7.822 6.001 142 HB2 LEU 15 HB2 LEU 15 36.035 10.485 6.152 143 HB3 LEU 15 HB1 LEU 15 34.799 9.830 7.253 144 HG LEU 15 HG LEU 15 37.634 8.767 6.875 145 HD11 LEU 15 HD11 LEU 15 38.013 9.571 9.129 146 HD12 LEU 15 HD12 LEU 15 36.297 10.003 9.319 147 HD13 LEU 15 HD13 LEU 15 37.325 10.915 8.188 148 HD21 LEU 15 HD21 LEU 15 35.245 7.764 8.478 149 HD22 LEU 15 HD22 LEU 15 36.918 7.340 8.918 150 HD23 LEU 15 HD23 LEU 15 36.266 6.859 7.335 Start of MODEL 2 1 H1 LYS 1 HT1 LYS 1 17.371 4.162 -4.863 2 H2 LYS 1 HT2 LYS 1 17.752 5.692 -5.497 3 H3 LYS 1 HT3 LYS 1 16.357 5.483 -4.549 4 HA LYS 1 HA LYS 1 17.612 6.286 -2.934 5 HB2 LYS 1 HB2 LYS 1 18.690 3.446 -3.138 6 HB3 LYS 1 HB1 LYS 1 18.790 4.492 -1.701 7 HG2 LYS 1 HG2 LYS 1 16.226 4.684 -1.843 8 HG3 LYS 1 HG1 LYS 1 16.294 3.350 -3.019 9 HD2 LYS 1 HD2 LYS 1 17.309 3.295 -0.141 10 HD3 LYS 1 HD1 LYS 1 15.886 2.440 -0.780 11 HE2 LYS 1 HE2 LYS 1 18.821 1.913 -1.343 12 HE3 LYS 1 HE1 LYS 1 17.581 0.781 -0.757 13 HZ1 LYS 1 HZ1 LYS 1 18.160 0.513 -3.141 14 HZ2 LYS 1 HZ2 LYS 1 17.529 2.061 -3.443 15 HZ3 LYS 1 HZ3 LYS 1 16.515 0.823 -2.873 16 H LYS 2 HN LYS 2 19.091 7.829 -3.183 17 HA LYS 2 HA LYS 2 21.886 7.082 -3.597 18 HB2 LYS 2 HB2 LYS 2 22.189 8.546 -5.618 19 HB3 LYS 2 HB1 LYS 2 21.240 7.073 -5.938 20 HG2 LYS 2 HG2 LYS 2 19.139 8.394 -5.646 21 HG3 LYS 2 HG1 LYS 2 20.121 9.863 -5.425 22 HD2 LYS 2 HD2 LYS 2 21.100 9.566 -7.672 23 HD3 LYS 2 HD1 LYS 2 20.151 8.077 -7.898 24 HE2 LYS 2 HE2 LYS 2 18.985 9.913 -9.003 25 HE3 LYS 2 HE1 LYS 2 18.054 9.431 -7.565 26 HZ1 LYS 2 HZ1 LYS 2 18.339 11.862 -7.794 27 HZ2 LYS 2 HZ2 LYS 2 20.019 11.666 -7.625 28 HZ3 LYS 2 HZ3 LYS 2 18.981 11.256 -6.345 29 H LEU 3 HN LEU 3 23.142 9.301 -4.069 30 HA LEU 3 HA LEU 3 23.700 11.387 -3.236 31 HB2 LEU 3 HB2 LEU 3 21.100 11.802 -3.724 32 HB3 LEU 3 HB1 LEU 3 20.983 11.781 -1.952 33 HG LEU 3 HG LEU 3 23.044 13.476 -2.086 34 HD11 LEU 3 HD11 LEU 3 23.377 13.295 -4.533 35 HD12 LEU 3 HD12 LEU 3 22.885 14.945 -4.093 36 HD13 LEU 3 HD13 LEU 3 21.702 13.826 -4.809 37 HD21 LEU 3 HD21 LEU 3 21.441 15.370 -2.167 38 HD22 LEU 3 HD22 LEU 3 20.803 14.029 -1.187 39 HD23 LEU 3 HD23 LEU 3 20.199 14.288 -2.841 40 H LEU 4 HN LEU 4 22.755 8.683 -1.601 41 HA LEU 4 HA LEU 4 22.944 9.609 1.144 42 HB2 LEU 4 HB2 LEU 4 23.007 6.947 -0.285 43 HB3 LEU 4 HB1 LEU 4 23.545 7.000 1.407 44 HG LEU 4 HG LEU 4 21.376 8.073 2.036 45 HD11 LEU 4 HD11 LEU 4 20.810 7.643 -0.925 46 HD12 LEU 4 HD12 LEU 4 20.782 9.180 -0.026 47 HD13 LEU 4 HD13 LEU 4 19.537 7.946 0.281 48 HD21 LEU 4 HD21 LEU 4 20.034 6.053 1.835 49 HD22 LEU 4 HD22 LEU 4 21.732 5.566 2.047 50 HD23 LEU 4 HD23 LEU 4 20.985 5.507 0.434 51 HA PRO 5 HA PRO 5 27.281 10.161 1.952 52 HB2 PRO 5 HB2 PRO 5 27.083 7.762 3.799 53 HB3 PRO 5 HB1 PRO 5 27.870 9.348 4.078 54 HG2 PRO 5 HG2 PRO 5 25.476 8.813 5.122 55 HG3 PRO 5 HG1 PRO 5 25.844 10.432 4.450 56 HD2 PRO 5 HD2 PRO 5 24.115 8.256 3.299 57 HD3 PRO 5 HD1 PRO 5 24.000 10.036 3.109 58 H ILE 6 HN ILE 6 27.695 9.423 -0.282 59 HA ILE 6 HA ILE 6 29.440 7.020 -0.273 60 HB ILE 6 HB ILE 6 27.229 7.296 -2.367 61 HG12 ILE 6 HG12 ILE 6 27.436 5.473 0.078 62 HG13 ILE 6 HG11 ILE 6 26.178 6.684 -0.245 63 HG21 ILE 6 HG21 ILE 6 29.036 4.919 -1.749 64 HG22 ILE 6 HG22 ILE 6 29.473 6.158 -2.946 65 HG23 ILE 6 HG23 ILE 6 28.014 5.175 -3.183 66 HD11 ILE 6 HD1 ILE 6 25.704 5.327 -2.417 67 HD12 ILE 6 HD2 ILE 6 25.160 4.639 -0.869 68 HD13 ILE 6 HD3 ILE 6 26.644 4.030 -1.637 69 H VAL 7 HN VAL 7 27.866 9.487 -2.368 70 HA VAL 7 HA VAL 7 29.967 9.673 -4.236 71 HB VAL 7 HB VAL 7 28.181 11.930 -3.319 72 HG11 VAL 7 HG11 VAL 7 29.755 11.387 -5.874 73 HG12 VAL 7 HG12 VAL 7 29.953 12.748 -4.745 74 HG13 VAL 7 HG13 VAL 7 28.492 12.634 -5.755 75 HG21 VAL 7 HG21 VAL 7 27.715 9.843 -5.501 76 HG22 VAL 7 HG22 VAL 7 26.630 11.194 -5.097 77 HG23 VAL 7 HG23 VAL 7 26.890 9.881 -3.924 78 H ALA 8 HN ALA 8 29.511 10.911 -1.198 79 HA ALA 8 HA ALA 8 31.653 12.899 -1.228 80 HB1 ALA 8 HB1 ALA 8 29.645 12.982 0.283 81 HB2 ALA 8 HB2 ALA 8 31.202 13.147 1.129 82 HB3 ALA 8 HB3 ALA 8 30.322 11.600 1.173 83 H ASN 9 HN ASN 9 31.252 9.551 -0.062 84 HA ASN 9 HA ASN 9 33.706 9.265 1.299 85 HB2 ASN 9 HB2 ASN 9 31.945 7.544 1.295 86 HB3 ASN 9 HB1 ASN 9 32.249 7.223 -0.429 87 HD21 ASN 9 HD21 ASN 9 33.090 5.087 -0.274 88 HD22 ASN 9 HD22 ASN 9 34.570 4.713 0.615 89 H LEU 10 HN LEU 10 33.061 9.663 -2.089 90 HA LEU 10 HA LEU 10 35.508 8.439 -3.059 91 HB2 LEU 10 HB2 LEU 10 33.983 10.671 -4.443 92 HB3 LEU 10 HB1 LEU 10 34.917 9.344 -5.173 93 HG LEU 10 HG LEU 10 32.291 9.095 -3.643 94 HD11 LEU 10 HD11 LEU 10 32.137 9.962 -5.980 95 HD12 LEU 10 HD12 LEU 10 31.408 8.347 -5.813 96 HD13 LEU 10 HD13 LEU 10 33.018 8.525 -6.551 97 HD21 LEU 10 HD21 LEU 10 33.550 7.129 -3.107 98 HD22 LEU 10 HD22 LEU 10 34.227 7.018 -4.750 99 HD23 LEU 10 HD23 LEU 10 32.509 6.652 -4.467 100 H LEU 11 HN LEU 11 34.526 11.754 -2.170 101 HA LEU 11 HA LEU 11 37.094 12.910 -2.914 102 HB2 LEU 11 HB2 LEU 11 35.127 14.111 -0.939 103 HB3 LEU 11 HB1 LEU 11 36.228 14.943 -2.061 104 HG LEU 11 HG LEU 11 33.775 13.292 -2.810 105 HD11 LEU 11 HD11 LEU 11 34.384 16.254 -3.201 106 HD12 LEU 11 HD12 LEU 11 33.398 15.604 -1.868 107 HD13 LEU 11 HD13 LEU 11 32.853 15.417 -3.552 108 HD21 LEU 11 HD21 LEU 11 35.394 12.931 -4.546 109 HD22 LEU 11 HD22 LEU 11 35.950 14.620 -4.482 110 HD23 LEU 11 HD23 LEU 11 34.342 14.234 -5.143 111 H LYS 12 HN LYS 12 35.736 11.362 -0.081 112 HA LYS 12 HA LYS 12 37.740 12.368 1.778 113 HB2 LYS 12 HB2 LYS 12 35.426 11.471 2.365 114 HB3 LYS 12 HB1 LYS 12 36.069 9.843 2.048 115 HG2 LYS 12 HG2 LYS 12 37.950 10.418 3.708 116 HG3 LYS 12 HG1 LYS 12 36.979 11.838 4.161 117 HD2 LYS 12 HD2 LYS 12 36.116 8.916 4.327 118 HD3 LYS 12 HD1 LYS 12 36.486 9.991 5.695 119 HE2 LYS 12 HE2 LYS 12 34.130 10.097 3.785 120 HE3 LYS 12 HE1 LYS 12 34.120 10.050 5.564 121 HZ1 LYS 12 HZ1 LYS 12 33.792 12.254 5.272 122 HZ2 LYS 12 HZ2 LYS 12 34.557 12.304 3.756 123 HZ3 LYS 12 HZ3 LYS 12 35.485 12.279 5.178 124 H SER 13 HN SER 13 37.282 9.379 -0.128 125 HA SER 13 HA SER 13 39.439 7.883 0.910 126 HB2 SER 13 HB2 SER 13 37.733 7.053 -0.722 127 HB3 SER 13 HB1 SER 13 38.535 8.000 -1.995 128 HG SER 13 HG SER 13 39.323 5.875 -1.970 129 H LEU 14 HN LEU 14 41.448 7.298 -0.449 130 HA LEU 14 HA LEU 14 42.650 9.348 -2.074 131 HB2 LEU 14 HB2 LEU 14 42.808 10.660 -0.056 132 HB3 LEU 14 HB1 LEU 14 43.412 9.271 0.872 133 HG LEU 14 HG LEU 14 45.515 9.279 -0.337 134 HD11 LEU 14 HD11 LEU 14 44.098 11.287 -2.136 135 HD12 LEU 14 HD12 LEU 14 44.906 9.767 -2.592 136 HD13 LEU 14 HD13 LEU 14 45.875 11.169 -2.083 137 HD21 LEU 14 HD21 LEU 14 46.366 11.515 0.252 138 HD22 LEU 14 HD22 LEU 14 45.242 10.935 1.504 139 HD23 LEU 14 HD23 LEU 14 44.704 12.147 0.318 140 H LEU 15 HN LEU 15 43.688 7.093 0.535 141 HA LEU 15 HA LEU 15 45.909 6.091 -1.006 142 HB2 LEU 15 HB2 LEU 15 45.964 5.944 1.405 143 HB3 LEU 15 HB1 LEU 15 44.439 5.035 1.442 144 HG LEU 15 HG LEU 15 45.480 3.096 0.420 145 HD11 LEU 15 HD11 LEU 15 48.039 3.228 -0.028 146 HD12 LEU 15 HD12 LEU 15 47.820 4.995 -0.017 147 HD13 LEU 15 HD13 LEU 15 46.962 3.997 -1.216 148 HD21 LEU 15 HD21 LEU 15 47.396 4.251 2.496 149 HD22 LEU 15 HD22 LEU 15 47.131 2.528 2.132 150 HD23 LEU 15 HD23 LEU 15 45.832 3.490 2.876 Start of MODEL 3 1 H1 LYS 1 HT1 LYS 1 18.433 8.883 -3.577 2 H2 LYS 1 HT2 LYS 1 17.370 9.251 -4.850 3 H3 LYS 1 HT3 LYS 1 17.080 9.862 -3.291 4 HA LYS 1 HA LYS 1 18.467 11.040 -5.354 5 HB2 LYS 1 HB2 LYS 1 18.751 12.857 -3.687 6 HB3 LYS 1 HB1 LYS 1 17.092 12.211 -3.700 7 HG2 LYS 1 HG2 LYS 1 17.876 10.646 -1.783 8 HG3 LYS 1 HG1 LYS 1 19.298 11.710 -1.663 9 HD2 LYS 1 HD2 LYS 1 16.377 12.557 -1.397 10 HD3 LYS 1 HD1 LYS 1 17.565 12.440 -0.077 11 HE2 LYS 1 HE2 LYS 1 17.515 14.401 -2.397 12 HE3 LYS 1 HE1 LYS 1 17.521 14.750 -0.653 13 HZ1 LYS 1 HZ1 LYS 1 19.705 15.112 -1.312 14 HZ2 LYS 1 HZ2 LYS 1 19.738 13.767 -2.351 15 HZ3 LYS 1 HZ3 LYS 1 19.760 13.545 -0.667 16 H LYS 2 HN LYS 2 20.571 11.786 -5.576 17 HA LYS 2 HA LYS 2 22.613 9.953 -4.599 18 HB2 LYS 2 HB2 LYS 2 23.048 12.636 -5.956 19 HB3 LYS 2 HB1 LYS 2 24.128 11.222 -5.950 20 HG2 LYS 2 HG2 LYS 2 22.325 9.923 -7.146 21 HG3 LYS 2 HG1 LYS 2 21.396 11.435 -7.283 22 HD2 LYS 2 HD2 LYS 2 23.421 12.468 -8.416 23 HD3 LYS 2 HD1 LYS 2 24.145 10.843 -8.455 24 HE2 LYS 2 HE2 LYS 2 22.103 10.023 -9.682 25 HE3 LYS 2 HE1 LYS 2 21.525 11.706 -9.753 26 HZ1 LYS 2 HZ1 LYS 2 23.588 12.296 -10.909 27 HZ2 LYS 2 HZ2 LYS 2 22.701 11.129 -11.768 28 HZ3 LYS 2 HZ3 LYS 2 24.080 10.673 -10.886 29 H LEU 3 HN LEU 3 24.657 12.094 -4.417 30 HA LEU 3 HA LEU 3 25.740 13.224 -2.714 31 HB2 LEU 3 HB2 LEU 3 23.015 13.851 -1.522 32 HB3 LEU 3 HB1 LEU 3 24.516 14.798 -1.411 33 HG LEU 3 HG LEU 3 22.835 14.331 -3.915 34 HD11 LEU 3 HD11 LEU 3 21.956 16.001 -2.290 35 HD12 LEU 3 HD12 LEU 3 22.500 16.769 -3.802 36 HD13 LEU 3 HD13 LEU 3 23.517 16.855 -2.342 37 HD21 LEU 3 HD21 LEU 3 25.105 14.364 -4.671 38 HD22 LEU 3 HD22 LEU 3 25.567 15.614 -3.490 39 HD23 LEU 3 HD23 LEU 3 24.535 16.036 -4.878 40 H LEU 4 HN LEU 4 24.060 10.438 -2.368 41 HA LEU 4 HA LEU 4 23.820 10.061 0.436 42 HB2 LEU 4 HB2 LEU 4 24.703 7.981 -1.601 43 HB3 LEU 4 HB1 LEU 4 23.912 7.672 -0.041 44 HG LEU 4 HG LEU 4 22.673 9.257 -2.336 45 HD11 LEU 4 HD11 LEU 4 22.037 6.437 -1.366 46 HD12 LEU 4 HD12 LEU 4 23.024 6.803 -2.802 47 HD13 LEU 4 HD13 LEU 4 21.311 7.282 -2.753 48 HD21 LEU 4 HD21 LEU 4 20.554 8.699 -0.890 49 HD22 LEU 4 HD22 LEU 4 21.620 10.009 -0.344 50 HD23 LEU 4 HD23 LEU 4 21.715 8.407 0.427 51 HA PRO 5 HA PRO 5 27.819 10.144 2.376 52 HB2 PRO 5 HB2 PRO 5 27.216 7.233 2.990 53 HB3 PRO 5 HB1 PRO 5 27.945 8.486 4.049 54 HG2 PRO 5 HG2 PRO 5 25.347 7.845 4.244 55 HG3 PRO 5 HG1 PRO 5 25.908 9.535 4.435 56 HD2 PRO 5 HD2 PRO 5 24.372 8.314 2.179 57 HD3 PRO 5 HD1 PRO 5 24.511 10.035 2.662 58 H ILE 6 HN ILE 6 26.949 7.486 0.193 59 HA ILE 6 HA ILE 6 29.625 6.507 -0.216 60 HB ILE 6 HB ILE 6 27.375 6.423 -2.271 61 HG12 ILE 6 HG12 ILE 6 27.844 4.672 0.187 62 HG13 ILE 6 HG11 ILE 6 26.447 5.734 -0.106 63 HG21 ILE 6 HG21 ILE 6 29.768 5.626 -2.805 64 HG22 ILE 6 HG22 ILE 6 28.471 4.436 -3.047 65 HG23 ILE 6 HG23 ILE 6 29.502 4.347 -1.599 66 HD11 ILE 6 HD1 ILE 6 27.195 3.156 -1.525 67 HD12 ILE 6 HD2 ILE 6 26.087 4.334 -2.273 68 HD13 ILE 6 HD3 ILE 6 25.667 3.577 -0.719 69 H VAL 7 HN VAL 7 27.581 8.824 -2.039 70 HA VAL 7 HA VAL 7 29.461 9.383 -4.067 71 HB VAL 7 HB VAL 7 27.492 11.322 -2.845 72 HG11 VAL 7 HG11 VAL 7 29.022 12.463 -4.332 73 HG12 VAL 7 HG12 VAL 7 27.501 12.231 -5.228 74 HG13 VAL 7 HG13 VAL 7 28.895 11.171 -5.548 75 HG21 VAL 7 HG21 VAL 7 26.425 9.170 -3.506 76 HG22 VAL 7 HG22 VAL 7 27.121 9.335 -5.135 77 HG23 VAL 7 HG23 VAL 7 25.910 10.507 -4.562 78 H ALA 8 HN ALA 8 29.136 10.370 -0.923 79 HA ALA 8 HA ALA 8 31.072 12.584 -1.020 80 HB1 ALA 8 HB1 ALA 8 30.709 12.752 1.363 81 HB2 ALA 8 HB2 ALA 8 29.929 11.152 1.403 82 HB3 ALA 8 HB3 ALA 8 29.136 12.509 0.568 83 H ASN 9 HN ASN 9 31.022 9.156 -0.116 84 HA ASN 9 HA ASN 9 33.436 8.958 1.301 85 HB2 ASN 9 HB2 ASN 9 31.797 7.100 0.829 86 HB3 ASN 9 HB1 ASN 9 32.483 6.987 -0.810 87 HD21 ASN 9 HD21 ASN 9 32.953 6.131 2.557 88 HD22 ASN 9 HD22 ASN 9 34.520 5.344 2.340 89 H LEU 10 HN LEU 10 32.891 9.439 -2.151 90 HA LEU 10 HA LEU 10 35.556 8.784 -3.016 91 HB2 LEU 10 HB2 LEU 10 33.761 10.861 -4.317 92 HB3 LEU 10 HB1 LEU 10 34.955 9.788 -5.086 93 HG LEU 10 HG LEU 10 32.314 8.960 -3.802 94 HD11 LEU 10 HD11 LEU 10 32.137 9.980 -6.053 95 HD12 LEU 10 HD12 LEU 10 31.768 8.240 -6.108 96 HD13 LEU 10 HD13 LEU 10 33.350 8.832 -6.669 97 HD21 LEU 10 HD21 LEU 10 33.011 6.671 -4.789 98 HD22 LEU 10 HD22 LEU 10 33.849 7.189 -3.309 99 HD23 LEU 10 HD23 LEU 10 34.657 7.343 -4.889 100 H LEU 11 HN LEU 11 33.993 11.836 -2.009 101 HA LEU 11 HA LEU 11 36.454 13.383 -2.400 102 HB2 LEU 11 HB2 LEU 11 34.057 14.225 -0.735 103 HB3 LEU 11 HB1 LEU 11 35.188 15.245 -1.656 104 HG LEU 11 HG LEU 11 33.154 13.291 -2.823 105 HD11 LEU 11 HD11 LEU 11 33.335 16.326 -3.032 106 HD12 LEU 11 HD12 LEU 11 32.287 15.471 -1.876 107 HD13 LEU 11 HD13 LEU 11 32.023 15.282 -3.626 108 HD21 LEU 11 HD21 LEU 11 33.916 14.442 -5.005 109 HD22 LEU 11 HD22 LEU 11 35.050 13.275 -4.292 110 HD23 LEU 11 HD23 LEU 11 35.324 15.022 -4.083 111 H LYS 12 HN LYS 12 37.072 11.169 -0.849 112 HA LYS 12 HA LYS 12 38.167 12.492 1.508 113 HB2 LYS 12 HB2 LYS 12 35.766 11.936 2.178 114 HB3 LYS 12 HB1 LYS 12 36.215 10.220 2.031 115 HG2 LYS 12 HG2 LYS 12 38.134 10.683 3.635 116 HG3 LYS 12 HG1 LYS 12 37.432 12.297 3.898 117 HD2 LYS 12 HD2 LYS 12 35.243 11.120 4.498 118 HD3 LYS 12 HD1 LYS 12 36.163 9.596 4.501 119 HE2 LYS 12 HE2 LYS 12 36.465 11.996 6.330 120 HE3 LYS 12 HE1 LYS 12 36.238 10.286 6.766 121 HZ1 LYS 12 HZ1 LYS 12 38.427 9.782 6.029 122 HZ2 LYS 12 HZ2 LYS 12 38.548 11.142 7.041 123 HZ3 LYS 12 HZ3 LYS 12 38.642 11.324 5.355 124 H SER 13 HN SER 13 37.393 9.454 -0.188 125 HA SER 13 HA SER 13 39.485 7.906 1.052 126 HB2 SER 13 HB2 SER 13 39.076 6.299 -0.723 127 HB3 SER 13 HB1 SER 13 37.517 6.958 -0.177 128 HG SER 13 HG SER 13 37.541 8.336 -1.967 129 H LEU 14 HN LEU 14 41.350 9.233 1.048 130 HA LEU 14 HA LEU 14 43.321 10.080 0.156 131 HB2 LEU 14 HB2 LEU 14 42.982 8.062 -2.088 132 HB3 LEU 14 HB1 LEU 14 44.484 8.643 -1.330 133 HG LEU 14 HG LEU 14 42.345 6.910 -0.013 134 HD11 LEU 14 HD11 LEU 14 45.257 6.297 -0.670 135 HD12 LEU 14 HD12 LEU 14 43.889 5.827 -1.708 136 HD13 LEU 14 HD13 LEU 14 44.025 5.166 -0.061 137 HD21 LEU 14 HD21 LEU 14 43.239 8.313 1.711 138 HD22 LEU 14 HD22 LEU 14 44.886 8.223 1.042 139 HD23 LEU 14 HD23 LEU 14 44.161 6.797 1.825 140 H LEU 15 HN LEU 15 44.119 9.997 -2.665 141 HA LEU 15 HA LEU 15 42.831 12.498 -3.479 142 HB2 LEU 15 HB2 LEU 15 44.986 10.716 -4.657 143 HB3 LEU 15 HB1 LEU 15 44.359 12.117 -5.545 144 HG LEU 15 HG LEU 15 46.486 12.487 -4.147 145 HD11 LEU 15 HD11 LEU 15 44.223 14.328 -3.282 146 HD12 LEU 15 HD12 LEU 15 44.829 14.306 -4.953 147 HD13 LEU 15 HD13 LEU 15 45.921 14.728 -3.616 148 HD21 LEU 15 HD21 LEU 15 45.618 11.162 -2.164 149 HD22 LEU 15 HD22 LEU 15 44.525 12.523 -1.811 150 HD23 LEU 15 HD23 LEU 15 46.286 12.760 -1.759 Start of MODEL 4 1 H1 LYS 1 HT1 LYS 1 19.703 6.795 -2.910 2 H2 LYS 1 HT2 LYS 1 18.715 7.867 -3.782 3 H3 LYS 1 HT3 LYS 1 18.071 6.420 -3.167 4 HA LYS 1 HA LYS 1 18.179 8.921 -1.975 5 HB2 LYS 1 HB2 LYS 1 17.319 6.173 -0.985 6 HB3 LYS 1 HB1 LYS 1 16.930 7.714 -0.183 7 HG2 LYS 1 HG2 LYS 1 15.645 8.479 -2.066 8 HG3 LYS 1 HG1 LYS 1 16.243 7.154 -3.096 9 HD2 LYS 1 HD2 LYS 1 13.939 6.698 -2.303 10 HD3 LYS 1 HD1 LYS 1 15.089 5.504 -1.660 11 HE2 LYS 1 HE2 LYS 1 14.430 7.992 -0.050 12 HE3 LYS 1 HE1 LYS 1 13.336 6.589 -0.025 13 HZ1 LYS 1 HZ1 LYS 1 14.707 5.567 1.356 14 HZ2 LYS 1 HZ2 LYS 1 15.718 6.932 1.387 15 HZ3 LYS 1 HZ3 LYS 1 15.991 5.694 0.255 16 H LYS 2 HN LYS 2 19.209 9.740 -0.215 17 HA LYS 2 HA LYS 2 20.984 9.992 1.270 18 HB2 LYS 2 HB2 LYS 2 20.696 7.026 1.861 19 HB3 LYS 2 HB1 LYS 2 21.163 8.342 2.966 20 HG2 LYS 2 HG2 LYS 2 18.418 7.921 1.701 21 HG3 LYS 2 HG1 LYS 2 18.845 7.677 3.411 22 HD2 LYS 2 HD2 LYS 2 19.579 10.160 3.410 23 HD3 LYS 2 HD1 LYS 2 18.719 10.290 1.855 24 HE2 LYS 2 HE2 LYS 2 16.637 9.502 2.919 25 HE3 LYS 2 HE1 LYS 2 17.487 9.323 4.473 26 HZ1 LYS 2 HZ1 LYS 2 16.194 11.547 3.676 27 HZ2 LYS 2 HZ2 LYS 2 17.789 11.917 3.225 28 HZ3 LYS 2 HZ3 LYS 2 17.431 11.518 4.836 29 H LEU 3 HN LEU 3 21.934 9.893 -1.184 30 HA LEU 3 HA LEU 3 23.924 7.764 -1.506 31 HB2 LEU 3 HB2 LEU 3 23.911 10.461 -2.914 32 HB3 LEU 3 HB1 LEU 3 24.560 8.908 -3.496 33 HG LEU 3 HG LEU 3 21.614 9.551 -3.021 34 HD11 LEU 3 HD11 LEU 3 23.101 8.994 -5.622 35 HD12 LEU 3 HD12 LEU 3 22.743 10.631 -5.021 36 HD13 LEU 3 HD13 LEU 3 21.411 9.523 -5.433 37 HD21 LEU 3 HD21 LEU 3 21.906 7.212 -2.589 38 HD22 LEU 3 HD22 LEU 3 23.089 7.036 -3.909 39 HD23 LEU 3 HD23 LEU 3 21.370 7.305 -4.282 40 H LEU 4 HN LEU 4 23.640 10.001 0.771 41 HA LEU 4 HA LEU 4 25.812 11.677 0.888 42 HB2 LEU 4 HB2 LEU 4 24.301 10.080 2.910 43 HB3 LEU 4 HB1 LEU 4 25.871 10.694 3.472 44 HG LEU 4 HG LEU 4 25.179 12.996 2.729 45 HD11 LEU 4 HD11 LEU 4 23.570 12.439 0.995 46 HD12 LEU 4 HD12 LEU 4 22.703 13.305 2.285 47 HD13 LEU 4 HD13 LEU 4 22.564 11.535 2.152 48 HD21 LEU 4 HD21 LEU 4 23.590 13.361 4.573 49 HD22 LEU 4 HD22 LEU 4 24.840 12.197 5.071 50 HD23 LEU 4 HD23 LEU 4 23.217 11.622 4.620 51 HA PRO 5 HA PRO 5 28.969 8.389 2.530 52 HB2 PRO 5 HB2 PRO 5 28.286 5.701 2.085 53 HB3 PRO 5 HB1 PRO 5 28.055 6.574 3.633 54 HG2 PRO 5 HG2 PRO 5 26.074 6.053 1.426 55 HG3 PRO 5 HG1 PRO 5 25.857 5.944 3.202 56 HD2 PRO 5 HD2 PRO 5 24.958 8.089 1.836 57 HD3 PRO 5 HD1 PRO 5 25.701 8.283 3.459 58 H ILE 6 HN ILE 6 27.015 7.792 -0.359 59 HA ILE 6 HA ILE 6 29.170 6.567 -1.879 60 HB ILE 6 HB ILE 6 26.741 8.051 -2.963 61 HG12 ILE 6 HG12 ILE 6 25.885 6.445 -1.388 62 HG13 ILE 6 HG11 ILE 6 25.674 5.732 -2.997 63 HG21 ILE 6 HG21 ILE 6 28.740 6.078 -4.122 64 HG22 ILE 6 HG22 ILE 6 28.145 7.608 -4.794 65 HG23 ILE 6 HG23 ILE 6 27.092 6.178 -4.786 66 HD11 ILE 6 HD1 ILE 6 27.713 5.026 -0.859 67 HD12 ILE 6 HD2 ILE 6 27.966 4.568 -2.558 68 HD13 ILE 6 HD3 ILE 6 26.548 3.963 -1.676 69 H VAL 7 HN VAL 7 27.712 9.852 -1.857 70 HA VAL 7 HA VAL 7 29.483 10.965 -3.755 71 HB VAL 7 HB VAL 7 28.202 12.354 -1.396 72 HG11 VAL 7 HG11 VAL 7 29.370 13.348 -4.030 73 HG12 VAL 7 HG12 VAL 7 29.868 13.792 -2.380 74 HG13 VAL 7 HG13 VAL 7 28.297 14.340 -3.012 75 HG21 VAL 7 HG21 VAL 7 26.329 12.830 -2.894 76 HG22 VAL 7 HG22 VAL 7 26.603 11.072 -2.869 77 HG23 VAL 7 HG23 VAL 7 27.166 12.041 -4.252 78 H ALA 8 HN ALA 8 29.718 10.294 -0.520 79 HA ALA 8 HA ALA 8 32.047 11.892 0.129 80 HB1 ALA 8 HB1 ALA 8 30.490 11.057 1.847 81 HB2 ALA 8 HB2 ALA 8 32.158 10.522 2.164 82 HB3 ALA 8 HB3 ALA 8 30.974 9.387 1.473 83 H ASN 9 HN ASN 9 31.521 8.563 -1.004 84 HA ASN 9 HA ASN 9 34.199 7.632 -0.664 85 HB2 ASN 9 HB2 ASN 9 32.179 6.875 -2.814 86 HB3 ASN 9 HB1 ASN 9 33.606 5.927 -2.332 87 HD21 ASN 9 HD21 ASN 9 33.150 6.822 0.595 88 HD22 ASN 9 HD22 ASN 9 31.830 5.783 1.137 89 H LEU 10 HN LEU 10 32.753 9.809 -2.972 90 HA LEU 10 HA LEU 10 34.802 9.512 -5.013 91 HB2 LEU 10 HB2 LEU 10 33.091 11.979 -4.555 92 HB3 LEU 10 HB1 LEU 10 33.754 11.357 -6.084 93 HG LEU 10 HG LEU 10 31.597 10.034 -4.378 94 HD11 LEU 10 HD11 LEU 10 30.115 10.568 -6.233 95 HD12 LEU 10 HD12 LEU 10 31.473 11.205 -7.191 96 HD13 LEU 10 HD13 LEU 10 30.936 12.064 -5.727 97 HD21 LEU 10 HD21 LEU 10 31.472 8.512 -6.473 98 HD22 LEU 10 HD22 LEU 10 32.848 8.254 -5.377 99 HD23 LEU 10 HD23 LEU 10 33.078 9.156 -6.895 100 H LEU 11 HN LEU 11 34.198 11.858 -2.370 101 HA LEU 11 HA LEU 11 36.636 13.353 -2.945 102 HB2 LEU 11 HB2 LEU 11 35.117 13.342 -0.314 103 HB3 LEU 11 HB1 LEU 11 36.074 14.656 -1.039 104 HG LEU 11 HG LEU 11 33.441 13.535 -2.091 105 HD11 LEU 11 HD11 LEU 11 33.302 15.029 -0.085 106 HD12 LEU 11 HD12 LEU 11 32.563 15.756 -1.532 107 HD13 LEU 11 HD13 LEU 11 34.176 16.285 -0.994 108 HD21 LEU 11 HD21 LEU 11 33.697 15.569 -3.683 109 HD22 LEU 11 HD22 LEU 11 34.703 14.144 -4.027 110 HD23 LEU 11 HD23 LEU 11 35.416 15.562 -3.220 111 H LYS 12 HN LYS 12 35.992 10.352 -1.493 112 HA LYS 12 HA LYS 12 37.318 8.902 -0.265 113 HB2 LYS 12 HB2 LYS 12 38.910 9.558 -2.151 114 HB3 LYS 12 HB1 LYS 12 39.654 10.701 -1.008 115 HG2 LYS 12 HG2 LYS 12 39.916 8.706 0.596 116 HG3 LYS 12 HG1 LYS 12 39.492 7.668 -0.786 117 HD2 LYS 12 HD2 LYS 12 41.832 9.623 -0.630 118 HD3 LYS 12 HD1 LYS 12 41.932 7.846 -0.617 119 HE2 LYS 12 HE2 LYS 12 41.145 9.681 -2.902 120 HE3 LYS 12 HE1 LYS 12 42.398 8.419 -2.869 121 HZ1 LYS 12 HZ1 LYS 12 40.746 7.312 -3.944 122 HZ2 LYS 12 HZ2 LYS 12 39.492 8.160 -3.173 123 HZ3 LYS 12 HZ3 LYS 12 40.314 6.921 -2.351 124 H SER 13 HN SER 13 36.082 10.007 1.556 125 HA SER 13 HA SER 13 37.974 10.546 3.689 126 HB2 SER 13 HB2 SER 13 37.998 12.771 2.599 127 HB3 SER 13 HB1 SER 13 36.230 12.864 2.762 128 HG SER 13 HG SER 13 36.809 13.767 4.603 129 H LEU 14 HN LEU 14 37.059 9.300 5.185 130 HA LEU 14 HA LEU 14 34.184 8.864 5.285 131 HB2 LEU 14 HB2 LEU 14 36.170 8.242 7.500 132 HB3 LEU 14 HB1 LEU 14 34.644 7.411 7.114 133 HG LEU 14 HG LEU 14 37.146 7.462 5.366 134 HD11 LEU 14 HD11 LEU 14 35.836 5.233 6.987 135 HD12 LEU 14 HD12 LEU 14 37.360 6.059 7.395 136 HD13 LEU 14 HD13 LEU 14 37.256 5.051 5.930 137 HD21 LEU 14 HD21 LEU 14 34.366 6.265 5.005 138 HD22 LEU 14 HD22 LEU 14 35.784 5.631 4.134 139 HD23 LEU 14 HD23 LEU 14 35.270 7.315 3.888 140 H LEU 15 HN LEU 15 32.724 9.452 6.936 141 HA LEU 15 HA LEU 15 33.091 12.185 7.860 142 HB2 LEU 15 HB2 LEU 15 30.956 10.260 8.836 143 HB3 LEU 15 HB1 LEU 15 30.864 12.029 8.664 144 HG LEU 15 HG LEU 15 31.057 9.991 6.403 145 HD11 LEU 15 HD11 LEU 15 28.799 10.817 5.842 146 HD12 LEU 15 HD12 LEU 15 28.854 11.936 7.225 147 HD13 LEU 15 HD13 LEU 15 28.832 10.178 7.503 148 HD21 LEU 15 HD21 LEU 15 30.645 12.124 4.996 149 HD22 LEU 15 HD22 LEU 15 32.279 11.914 5.666 150 HD23 LEU 15 HD23 LEU 15 31.136 13.038 6.443 Start of MODEL 5 1 H1 LYS 1 HT1 LYS 1 16.201 10.249 -0.767 2 H2 LYS 1 HT2 LYS 1 16.124 10.352 0.928 3 H3 LYS 1 HT3 LYS 1 15.017 9.381 0.079 4 HA LYS 1 HA LYS 1 17.269 8.527 1.245 5 HB2 LYS 1 HB2 LYS 1 15.214 7.268 0.396 6 HB3 LYS 1 HB1 LYS 1 15.995 7.251 -1.204 7 HG2 LYS 1 HG2 LYS 1 17.959 6.097 -0.250 8 HG3 LYS 1 HG1 LYS 1 17.210 6.138 1.365 9 HD2 LYS 1 HD2 LYS 1 15.252 4.853 0.402 10 HD3 LYS 1 HD1 LYS 1 16.186 4.671 -1.102 11 HE2 LYS 1 HE2 LYS 1 16.527 2.678 0.252 12 HE3 LYS 1 HE1 LYS 1 18.037 3.620 0.254 13 HZ1 LYS 1 HZ1 LYS 1 17.333 2.813 2.479 14 HZ2 LYS 1 HZ2 LYS 1 15.956 3.803 2.374 15 HZ3 LYS 1 HZ3 LYS 1 17.505 4.498 2.393 16 H LYS 2 HN LYS 2 18.717 10.380 0.365 17 HA LYS 2 HA LYS 2 20.587 9.118 -1.502 18 HB2 LYS 2 HB2 LYS 2 20.555 10.941 -3.169 19 HB3 LYS 2 HB1 LYS 2 18.992 10.090 -3.113 20 HG2 LYS 2 HG2 LYS 2 18.253 11.919 -1.429 21 HG3 LYS 2 HG1 LYS 2 19.699 12.815 -1.956 22 HD2 LYS 2 HD2 LYS 2 17.436 11.837 -3.755 23 HD3 LYS 2 HD1 LYS 2 17.729 13.520 -3.260 24 HE2 LYS 2 HE2 LYS 2 20.077 13.243 -4.314 25 HE3 LYS 2 HE1 LYS 2 19.426 11.768 -5.072 26 HZ1 LYS 2 HZ1 LYS 2 17.881 12.977 -6.278 27 HZ2 LYS 2 HZ2 LYS 2 19.250 13.981 -6.332 28 HZ3 LYS 2 HZ3 LYS 2 17.975 14.336 -5.268 29 H LEU 3 HN LEU 3 22.188 11.136 -2.200 30 HA LEU 3 HA LEU 3 23.816 12.557 -1.382 31 HB2 LEU 3 HB2 LEU 3 21.626 13.784 -0.537 32 HB3 LEU 3 HB1 LEU 3 22.126 13.187 1.058 33 HG LEU 3 HG LEU 3 24.488 14.217 0.412 34 HD11 LEU 3 HD11 LEU 3 24.189 16.309 -0.977 35 HD12 LEU 3 HD12 LEU 3 22.576 15.723 -1.437 36 HD13 LEU 3 HD13 LEU 3 24.025 14.808 -1.911 37 HD21 LEU 3 HD21 LEU 3 23.774 16.408 1.364 38 HD22 LEU 3 HD22 LEU 3 23.070 15.038 2.255 39 HD23 LEU 3 HD23 LEU 3 22.074 15.956 1.099 40 H LEU 4 HN LEU 4 22.748 9.781 -0.022 41 HA LEU 4 HA LEU 4 23.980 9.574 2.506 42 HB2 LEU 4 HB2 LEU 4 23.339 7.673 0.257 43 HB3 LEU 4 HB1 LEU 4 24.413 7.067 1.535 44 HG LEU 4 HG LEU 4 22.722 7.666 3.245 45 HD11 LEU 4 HD11 LEU 4 21.183 8.630 0.800 46 HD12 LEU 4 HD12 LEU 4 21.624 9.559 2.253 47 HD13 LEU 4 HD13 LEU 4 20.395 8.276 2.357 48 HD21 LEU 4 HD21 LEU 4 21.647 6.017 0.911 49 HD22 LEU 4 HD22 LEU 4 20.995 5.986 2.567 50 HD23 LEU 4 HD23 LEU 4 22.652 5.416 2.251 51 HA PRO 5 HA PRO 5 28.336 9.920 1.885 52 HB2 PRO 5 HB2 PRO 5 29.346 7.846 3.467 53 HB3 PRO 5 HB1 PRO 5 28.760 9.412 4.111 54 HG2 PRO 5 HG2 PRO 5 27.319 6.775 3.921 55 HG3 PRO 5 HG1 PRO 5 27.359 7.957 5.267 56 HD2 PRO 5 HD2 PRO 5 25.243 7.840 3.583 57 HD3 PRO 5 HD1 PRO 5 25.837 9.412 4.212 58 H ILE 6 HN ILE 6 27.965 9.281 -0.387 59 HA ILE 6 HA ILE 6 29.467 6.770 -0.999 60 HB ILE 6 HB ILE 6 26.873 7.445 -2.454 61 HG12 ILE 6 HG12 ILE 6 27.366 5.511 -0.143 62 HG13 ILE 6 HG11 ILE 6 26.295 6.930 -0.131 63 HG21 ILE 6 HG21 ILE 6 28.404 4.818 -2.276 64 HG22 ILE 6 HG22 ILE 6 28.741 6.035 -3.529 65 HG23 ILE 6 HG23 ILE 6 27.136 5.274 -3.438 66 HD11 ILE 6 HD1 ILE 6 25.950 4.314 -1.632 67 HD12 ILE 6 HD2 ILE 6 25.079 5.786 -2.130 68 HD13 ILE 6 HD3 ILE 6 24.825 5.105 -0.506 69 H VAL 7 HN VAL 7 27.776 9.652 -2.323 70 HA VAL 7 HA VAL 7 29.446 9.759 -4.667 71 HB VAL 7 HB VAL 7 27.859 11.995 -3.395 72 HG11 VAL 7 HG11 VAL 7 28.938 11.525 -6.210 73 HG12 VAL 7 HG12 VAL 7 29.389 12.829 -5.085 74 HG13 VAL 7 HG13 VAL 7 27.762 12.797 -5.803 75 HG21 VAL 7 HG21 VAL 7 26.509 9.915 -3.856 76 HG22 VAL 7 HG22 VAL 7 26.993 10.030 -5.565 77 HG23 VAL 7 HG23 VAL 7 26.002 11.314 -4.832 78 H ALA 8 HN ALA 8 29.519 10.905 -1.561 79 HA ALA 8 HA ALA 8 31.809 12.757 -1.966 80 HB1 ALA 8 HB1 ALA 8 30.480 11.936 0.635 81 HB2 ALA 8 HB2 ALA 8 29.883 13.251 -0.406 82 HB3 ALA 8 HB3 ALA 8 31.499 13.363 0.333 83 H ASN 9 HN ASN 9 31.130 9.493 -0.908 84 HA ASN 9 HA ASN 9 33.336 8.939 0.736 85 HB2 ASN 9 HB2 ASN 9 31.535 7.324 0.259 86 HB3 ASN 9 HB1 ASN 9 32.123 7.157 -1.414 87 HD21 ASN 9 HD21 ASN 9 32.922 6.492 2.019 88 HD22 ASN 9 HD22 ASN 9 34.188 5.313 1.657 89 H LEU 10 HN LEU 10 33.228 9.561 -2.710 90 HA LEU 10 HA LEU 10 35.819 8.398 -3.307 91 HB2 LEU 10 HB2 LEU 10 33.991 10.366 -4.715 92 HB3 LEU 10 HB1 LEU 10 35.590 9.970 -5.372 93 HG LEU 10 HG LEU 10 33.617 8.607 -6.279 94 HD11 LEU 10 HD11 LEU 10 36.126 7.901 -6.262 95 HD12 LEU 10 HD12 LEU 10 34.906 6.646 -6.551 96 HD13 LEU 10 HD13 LEU 10 35.665 6.789 -4.954 97 HD21 LEU 10 HD21 LEU 10 32.673 6.850 -4.928 98 HD22 LEU 10 HD22 LEU 10 32.537 8.356 -3.993 99 HD23 LEU 10 HD23 LEU 10 33.803 7.171 -3.594 100 H LEU 11 HN LEU 11 34.654 11.691 -2.538 101 HA LEU 11 HA LEU 11 37.277 12.895 -2.825 102 HB2 LEU 11 HB2 LEU 11 35.016 13.976 -1.110 103 HB3 LEU 11 HB1 LEU 11 36.270 14.878 -1.993 104 HG LEU 11 HG LEU 11 33.988 13.261 -3.211 105 HD11 LEU 11 HD11 LEU 11 34.647 16.241 -3.198 106 HD12 LEU 11 HD12 LEU 11 33.327 15.457 -2.298 107 HD13 LEU 11 HD13 LEU 11 33.295 15.490 -4.078 108 HD21 LEU 11 HD21 LEU 11 35.845 12.978 -4.694 109 HD22 LEU 11 HD22 LEU 11 36.405 14.649 -4.442 110 HD23 LEU 11 HD23 LEU 11 34.923 14.337 -5.375 111 H LYS 12 HN LYS 12 35.283 12.070 0.053 112 HA LYS 12 HA LYS 12 37.237 12.733 1.994 113 HB2 LYS 12 HB2 LYS 12 35.139 10.529 2.101 114 HB3 LYS 12 HB1 LYS 12 35.978 11.243 3.499 115 HG2 LYS 12 HG2 LYS 12 35.054 13.473 2.905 116 HG3 LYS 12 HG1 LYS 12 34.190 12.740 1.533 117 HD2 LYS 12 HD2 LYS 12 32.885 11.331 3.038 118 HD3 LYS 12 HD1 LYS 12 33.826 11.896 4.439 119 HE2 LYS 12 HE2 LYS 12 33.014 14.196 4.084 120 HE3 LYS 12 HE1 LYS 12 32.105 13.666 2.650 121 HZ1 LYS 12 HZ1 LYS 12 31.644 12.238 5.167 122 HZ2 LYS 12 HZ2 LYS 12 30.562 12.601 3.908 123 HZ3 LYS 12 HZ3 LYS 12 31.001 13.801 5.027 124 H SER 13 HN SER 13 36.989 9.990 -0.161 125 HA SER 13 HA SER 13 38.308 8.088 -0.386 126 HB2 SER 13 HB2 SER 13 40.492 9.766 0.891 127 HB3 SER 13 HB1 SER 13 40.676 8.438 -0.277 128 HG SER 13 HG SER 13 40.805 10.457 -1.313 129 H LEU 14 HN LEU 14 40.491 7.119 1.105 130 HA LEU 14 HA LEU 14 39.035 5.903 3.326 131 HB2 LEU 14 HB2 LEU 14 42.026 5.693 2.837 132 HB3 LEU 14 HB1 LEU 14 40.927 4.494 3.563 133 HG LEU 14 HG LEU 14 40.972 5.396 0.648 134 HD11 LEU 14 HD11 LEU 14 41.659 3.087 0.210 135 HD12 LEU 14 HD12 LEU 14 41.515 2.683 1.937 136 HD13 LEU 14 HD13 LEU 14 42.776 3.814 1.389 137 HD21 LEU 14 HD21 LEU 14 39.249 3.478 0.445 138 HD22 LEU 14 HD22 LEU 14 38.670 4.989 1.183 139 HD23 LEU 14 HD23 LEU 14 39.074 3.594 2.213 140 H LEU 15 HN LEU 15 42.048 7.866 3.134 141 HA LEU 15 HA LEU 15 42.115 8.271 6.002 142 HB2 LEU 15 HB2 LEU 15 44.178 8.374 4.755 143 HB3 LEU 15 HB1 LEU 15 43.531 9.622 3.671 144 HG LEU 15 HG LEU 15 43.509 11.267 5.450 145 HD11 LEU 15 HD11 LEU 15 44.457 10.537 7.757 146 HD12 LEU 15 HD12 LEU 15 44.106 8.873 7.232 147 HD13 LEU 15 HD13 LEU 15 42.788 10.060 7.376 148 HD21 LEU 15 HD21 LEU 15 46.076 9.619 5.554 149 HD22 LEU 15 HD22 LEU 15 45.919 11.321 6.052 150 HD23 LEU 15 HD23 LEU 15 45.684 10.868 4.347 Start of MODEL 6 1 H1 LYS 1 HT1 LYS 1 19.814 12.589 -5.236 2 H2 LYS 1 HT2 LYS 1 18.214 13.115 -5.006 3 H3 LYS 1 HT3 LYS 1 18.650 11.516 -4.629 4 HA LYS 1 HA LYS 1 19.836 13.863 -3.311 5 HB2 LYS 1 HB2 LYS 1 17.497 12.152 -2.380 6 HB3 LYS 1 HB1 LYS 1 18.272 13.467 -1.463 7 HG2 LYS 1 HG2 LYS 1 17.703 15.006 -3.431 8 HG3 LYS 1 HG1 LYS 1 16.689 13.684 -4.055 9 HD2 LYS 1 HD2 LYS 1 16.407 15.075 -1.352 10 HD3 LYS 1 HD1 LYS 1 15.303 15.221 -2.741 11 HE2 LYS 1 HE2 LYS 1 15.764 12.833 -0.927 12 HE3 LYS 1 HE1 LYS 1 14.231 13.627 -1.358 13 HZ1 LYS 1 HZ1 LYS 1 14.113 11.888 -2.770 14 HZ2 LYS 1 HZ2 LYS 1 15.795 11.657 -2.838 15 HZ3 LYS 1 HZ3 LYS 1 15.065 12.883 -3.761 16 H LYS 2 HN LYS 2 21.468 11.924 -4.177 17 HA LYS 2 HA LYS 2 21.633 9.705 -2.263 18 HB2 LYS 2 HB2 LYS 2 23.509 10.744 -4.421 19 HB3 LYS 2 HB1 LYS 2 23.846 9.310 -3.421 20 HG2 LYS 2 HG2 LYS 2 21.860 8.185 -4.240 21 HG3 LYS 2 HG1 LYS 2 21.317 9.655 -5.085 22 HD2 LYS 2 HD2 LYS 2 23.345 9.566 -6.522 23 HD3 LYS 2 HD1 LYS 2 23.850 8.070 -5.699 24 HE2 LYS 2 HE2 LYS 2 22.710 7.480 -7.778 25 HE3 LYS 2 HE1 LYS 2 21.685 7.009 -6.403 26 HZ1 LYS 2 HZ1 LYS 2 21.349 9.690 -7.561 27 HZ2 LYS 2 HZ2 LYS 2 20.204 8.679 -6.815 28 HZ3 LYS 2 HZ3 LYS 2 20.714 8.362 -8.405 29 H LEU 3 HN LEU 3 21.480 12.025 -0.808 30 HA LEU 3 HA LEU 3 24.033 13.143 -0.121 31 HB2 LEU 3 HB2 LEU 3 21.671 12.769 1.762 32 HB3 LEU 3 HB1 LEU 3 22.937 14.015 1.837 33 HG LEU 3 HG LEU 3 20.915 13.716 -0.433 34 HD11 LEU 3 HD11 LEU 3 19.843 15.704 0.524 35 HD12 LEU 3 HD12 LEU 3 21.057 15.763 1.825 36 HD13 LEU 3 HD13 LEU 3 19.902 14.409 1.745 37 HD21 LEU 3 HD21 LEU 3 23.148 15.697 0.181 38 HD22 LEU 3 HD22 LEU 3 21.783 16.127 -0.877 39 HD23 LEU 3 HD23 LEU 3 22.861 14.784 -1.319 40 H LEU 4 HN LEU 4 22.933 10.010 0.086 41 HA LEU 4 HA LEU 4 24.033 9.285 2.682 42 HB2 LEU 4 HB2 LEU 4 23.606 7.406 0.337 43 HB3 LEU 4 HB1 LEU 4 23.498 7.048 2.075 44 HG LEU 4 HG LEU 4 21.600 8.809 0.463 45 HD11 LEU 4 HD11 LEU 4 19.961 7.067 0.947 46 HD12 LEU 4 HD12 LEU 4 21.140 6.184 1.948 47 HD13 LEU 4 HD13 LEU 4 21.386 6.316 0.191 48 HD21 LEU 4 HD21 LEU 4 21.738 9.807 2.637 49 HD22 LEU 4 HD22 LEU 4 21.835 8.223 3.445 50 HD23 LEU 4 HD23 LEU 4 20.306 8.756 2.705 51 HA PRO 5 HA PRO 5 28.423 8.965 1.994 52 HB2 PRO 5 HB2 PRO 5 28.076 6.017 2.623 53 HB3 PRO 5 HB1 PRO 5 29.324 7.165 3.209 54 HG2 PRO 5 HG2 PRO 5 27.259 6.501 4.753 55 HG3 PRO 5 HG1 PRO 5 27.866 8.186 4.706 56 HD2 PRO 5 HD2 PRO 5 25.351 7.047 3.511 57 HD3 PRO 5 HD1 PRO 5 25.689 8.704 4.107 58 H ILE 6 HN ILE 6 28.004 9.344 -0.329 59 HA ILE 6 HA ILE 6 29.016 7.067 -1.939 60 HB ILE 6 HB ILE 6 26.466 8.515 -2.803 61 HG12 ILE 6 HG12 ILE 6 26.857 5.745 -1.570 62 HG13 ILE 6 HG11 ILE 6 25.900 7.083 -0.902 63 HG21 ILE 6 HG21 ILE 6 26.455 6.960 -4.638 64 HG22 ILE 6 HG22 ILE 6 27.724 5.960 -3.894 65 HG23 ILE 6 HG23 ILE 6 28.120 7.565 -4.542 66 HD11 ILE 6 HD1 ILE 6 24.277 5.687 -1.913 67 HD12 ILE 6 HD2 ILE 6 25.306 5.364 -3.328 68 HD13 ILE 6 HD3 ILE 6 24.546 6.962 -3.126 69 H VAL 7 HN VAL 7 27.651 10.390 -2.023 70 HA VAL 7 HA VAL 7 29.267 11.196 -4.251 71 HB VAL 7 HB VAL 7 28.044 12.942 -2.108 72 HG11 VAL 7 HG11 VAL 7 28.936 13.466 -4.979 73 HG12 VAL 7 HG12 VAL 7 29.624 14.167 -3.495 74 HG13 VAL 7 HG13 VAL 7 27.983 14.615 -4.013 75 HG21 VAL 7 HG21 VAL 7 26.301 11.525 -3.047 76 HG22 VAL 7 HG22 VAL 7 26.878 11.836 -4.702 77 HG23 VAL 7 HG23 VAL 7 26.133 13.148 -3.759 78 H ALA 8 HN ALA 8 29.587 11.044 -0.960 79 HA ALA 8 HA ALA 8 32.051 12.669 -0.773 80 HB1 ALA 8 HB1 ALA 8 30.387 12.661 1.056 81 HB2 ALA 8 HB2 ALA 8 31.982 12.090 1.603 82 HB3 ALA 8 HB3 ALA 8 30.674 10.921 1.297 83 H ASN 9 HN ASN 9 31.084 9.284 -0.992 84 HA ASN 9 HA ASN 9 33.443 8.035 -0.065 85 HB2 ASN 9 HB2 ASN 9 31.300 6.901 -0.767 86 HB3 ASN 9 HB1 ASN 9 31.795 7.145 -2.460 87 HD21 ASN 9 HD21 ASN 9 33.073 5.769 0.655 88 HD22 ASN 9 HD22 ASN 9 33.972 4.469 -0.134 89 H LEU 10 HN LEU 10 32.743 9.645 -3.138 90 HA LEU 10 HA LEU 10 35.146 8.703 -4.471 91 HB2 LEU 10 HB2 LEU 10 33.600 11.245 -5.089 92 HB3 LEU 10 HB1 LEU 10 34.585 10.265 -6.199 93 HG LEU 10 HG LEU 10 32.015 9.335 -4.835 94 HD11 LEU 10 HD11 LEU 10 31.061 9.471 -7.126 95 HD12 LEU 10 HD12 LEU 10 32.596 10.152 -7.716 96 HD13 LEU 10 HD13 LEU 10 31.608 11.063 -6.550 97 HD21 LEU 10 HD21 LEU 10 32.286 7.490 -6.650 98 HD22 LEU 10 HD22 LEU 10 33.350 7.396 -5.231 99 HD23 LEU 10 HD23 LEU 10 33.976 8.034 -6.770 100 H LEU 11 HN LEU 11 34.339 11.367 -2.319 101 HA LEU 11 HA LEU 11 36.617 13.015 -2.873 102 HB2 LEU 11 HB2 LEU 11 34.528 13.610 -1.518 103 HB3 LEU 11 HB1 LEU 11 35.241 12.680 -0.183 104 HG LEU 11 HG LEU 11 37.372 14.204 -0.597 105 HD11 LEU 11 HD11 LEU 11 36.656 15.328 -2.639 106 HD12 LEU 11 HD12 LEU 11 36.681 16.524 -1.326 107 HD13 LEU 11 HD13 LEU 11 35.134 15.843 -1.876 108 HD21 LEU 11 HD21 LEU 11 36.444 15.911 0.961 109 HD22 LEU 11 HD22 LEU 11 36.006 14.257 1.453 110 HD23 LEU 11 HD23 LEU 11 34.805 15.292 0.644 111 H LYS 12 HN LYS 12 36.168 10.066 -1.048 112 HA LYS 12 HA LYS 12 37.662 8.740 0.121 113 HB2 LYS 12 HB2 LYS 12 38.842 8.822 -2.080 114 HB3 LYS 12 HB1 LYS 12 39.764 10.229 -1.498 115 HG2 LYS 12 HG2 LYS 12 40.816 8.942 0.238 116 HG3 LYS 12 HG1 LYS 12 39.712 7.570 -0.017 117 HD2 LYS 12 HD2 LYS 12 41.925 7.133 -1.042 118 HD3 LYS 12 HD1 LYS 12 40.651 7.222 -2.281 119 HE2 LYS 12 HE2 LYS 12 41.351 9.365 -3.020 120 HE3 LYS 12 HE1 LYS 12 42.269 9.684 -1.527 121 HZ1 LYS 12 HZ1 LYS 12 43.897 8.106 -2.150 122 HZ2 LYS 12 HZ2 LYS 12 43.624 9.067 -3.523 123 HZ3 LYS 12 HZ3 LYS 12 42.959 7.507 -3.429 124 H SER 13 HN SER 13 37.035 9.935 2.059 125 HA SER 13 HA SER 13 38.745 12.106 2.998 126 HB2 SER 13 HB2 SER 13 36.673 10.358 4.372 127 HB3 SER 13 HB1 SER 13 37.524 11.696 5.173 128 HG SER 13 HG SER 13 36.126 11.984 2.715 129 H LEU 14 HN LEU 14 38.098 8.918 4.520 130 HA LEU 14 HA LEU 14 40.588 8.979 5.987 131 HB2 LEU 14 HB2 LEU 14 38.516 6.837 5.399 132 HB3 LEU 14 HB1 LEU 14 40.002 6.459 6.302 133 HG LEU 14 HG LEU 14 39.453 8.157 7.986 134 HD11 LEU 14 HD11 LEU 14 37.137 8.739 6.099 135 HD12 LEU 14 HD12 LEU 14 38.337 9.873 6.769 136 HD13 LEU 14 HD13 LEU 14 37.078 9.189 7.821 137 HD21 LEU 14 HD21 LEU 14 38.483 5.810 8.100 138 HD22 LEU 14 HD22 LEU 14 36.980 6.469 7.411 139 HD23 LEU 14 HD23 LEU 14 37.557 7.037 8.996 140 H LEU 15 HN LEU 15 42.583 8.367 5.441 141 HA LEU 15 HA LEU 15 43.099 7.544 2.680 142 HB2 LEU 15 HB2 LEU 15 45.129 7.537 4.936 143 HB3 LEU 15 HB1 LEU 15 45.387 7.851 3.202 144 HG LEU 15 HG LEU 15 43.902 9.636 5.182 145 HD11 LEU 15 HD11 LEU 15 46.408 9.655 5.279 146 HD12 LEU 15 HD12 LEU 15 45.727 11.208 4.735 147 HD13 LEU 15 HD13 LEU 15 46.442 10.086 3.553 148 HD21 LEU 15 HD21 LEU 15 44.251 9.783 2.158 149 HD22 LEU 15 HD22 LEU 15 43.866 11.214 3.143 150 HD23 LEU 15 HD23 LEU 15 42.737 9.841 3.091 Start of MODEL 7 1 H1 LYS 1 HT1 LYS 1 20.403 15.434 -5.368 2 H2 LYS 1 HT2 LYS 1 21.338 16.850 -5.268 3 H3 LYS 1 HT3 LYS 1 19.650 16.925 -5.089 4 HA LYS 1 HA LYS 1 21.370 16.879 -3.083 5 HB2 LYS 1 HB2 LYS 1 19.416 16.165 -1.692 6 HB3 LYS 1 HB1 LYS 1 19.015 17.440 -2.868 7 HG2 LYS 1 HG2 LYS 1 18.278 15.533 -4.448 8 HG3 LYS 1 HG1 LYS 1 18.371 14.468 -3.027 9 HD2 LYS 1 HD2 LYS 1 16.653 16.974 -3.306 10 HD3 LYS 1 HD1 LYS 1 16.074 15.293 -3.299 11 HE2 LYS 1 HE2 LYS 1 17.273 16.890 -1.011 12 HE3 LYS 1 HE1 LYS 1 15.711 16.042 -1.073 13 HZ1 LYS 1 HZ1 LYS 1 16.893 14.490 0.038 14 HZ2 LYS 1 HZ2 LYS 1 18.391 14.986 -0.592 15 HZ3 LYS 1 HZ3 LYS 1 17.352 14.015 -1.524 16 H LYS 2 HN LYS 2 22.612 14.982 -4.551 17 HA LYS 2 HA LYS 2 21.991 12.294 -3.523 18 HB2 LYS 2 HB2 LYS 2 24.212 13.478 -5.227 19 HB3 LYS 2 HB1 LYS 2 24.274 11.797 -4.652 20 HG2 LYS 2 HG2 LYS 2 23.282 11.988 -6.936 21 HG3 LYS 2 HG1 LYS 2 22.145 11.296 -5.757 22 HD2 LYS 2 HD2 LYS 2 20.887 13.310 -5.604 23 HD3 LYS 2 HD1 LYS 2 22.179 14.279 -6.353 24 HE2 LYS 2 HE2 LYS 2 20.637 12.070 -7.783 25 HE3 LYS 2 HE1 LYS 2 20.250 13.803 -7.903 26 HZ1 LYS 2 HZ1 LYS 2 22.749 12.435 -8.750 27 HZ2 LYS 2 HZ2 LYS 2 22.611 14.124 -8.631 28 HZ3 LYS 2 HZ3 LYS 2 21.638 13.265 -9.727 29 H LEU 3 HN LEU 3 22.174 13.883 -1.353 30 HA LEU 3 HA LEU 3 24.833 14.043 -0.245 31 HB2 LEU 3 HB2 LEU 3 22.272 13.718 1.360 32 HB3 LEU 3 HB1 LEU 3 23.760 14.584 1.813 33 HG LEU 3 HG LEU 3 21.788 15.372 -0.378 34 HD11 LEU 3 HD11 LEU 3 21.051 15.851 1.940 35 HD12 LEU 3 HD12 LEU 3 21.430 17.353 1.063 36 HD13 LEU 3 HD13 LEU 3 22.584 16.700 2.252 37 HD21 LEU 3 HD21 LEU 3 23.311 17.471 -0.422 38 HD22 LEU 3 HD22 LEU 3 23.947 16.002 -1.197 39 HD23 LEU 3 HD23 LEU 3 24.516 16.469 0.425 40 H LEU 4 HN LEU 4 23.120 11.410 -1.233 41 HA LEU 4 HA LEU 4 23.313 9.570 0.920 42 HB2 LEU 4 HB2 LEU 4 23.352 9.318 -2.099 43 HB3 LEU 4 HB1 LEU 4 23.590 7.874 -1.091 44 HG LEU 4 HG LEU 4 21.452 8.289 0.057 45 HD11 LEU 4 HD11 LEU 4 21.288 10.681 0.050 46 HD12 LEU 4 HD12 LEU 4 19.945 10.105 -0.964 47 HD13 LEU 4 HD13 LEU 4 21.417 10.760 -1.723 48 HD21 LEU 4 HD21 LEU 4 21.250 8.420 -2.986 49 HD22 LEU 4 HD22 LEU 4 19.940 7.916 -1.893 50 HD23 LEU 4 HD23 LEU 4 21.426 6.943 -2.009 51 HA PRO 5 HA PRO 5 27.519 8.603 1.902 52 HB2 PRO 5 HB2 PRO 5 26.912 5.903 0.658 53 HB3 PRO 5 HB1 PRO 5 27.823 6.278 2.158 54 HG2 PRO 5 HG2 PRO 5 25.261 5.500 2.254 55 HG3 PRO 5 HG1 PRO 5 25.897 6.748 3.368 56 HD2 PRO 5 HD2 PRO 5 24.022 7.077 1.063 57 HD3 PRO 5 HD1 PRO 5 24.281 8.143 2.482 58 H ILE 6 HN ILE 6 26.267 8.003 -1.337 59 HA ILE 6 HA ILE 6 28.486 7.282 -2.817 60 HB ILE 6 HB ILE 6 26.698 9.585 -3.701 61 HG12 ILE 6 HG12 ILE 6 26.139 6.583 -3.639 62 HG13 ILE 6 HG11 ILE 6 25.234 7.854 -2.790 63 HG21 ILE 6 HG21 ILE 6 28.724 8.802 -5.089 64 HG22 ILE 6 HG22 ILE 6 27.152 8.779 -5.918 65 HG23 ILE 6 HG23 ILE 6 27.856 7.264 -5.303 66 HD11 ILE 6 HD1 ILE 6 25.334 7.275 -5.767 67 HD12 ILE 6 HD2 ILE 6 24.820 8.867 -5.155 68 HD13 ILE 6 HD3 ILE 6 23.912 7.404 -4.707 69 H VAL 7 HN VAL 7 27.654 10.686 -1.967 70 HA VAL 7 HA VAL 7 30.016 11.795 -3.051 71 HB VAL 7 HB VAL 7 28.410 12.812 -0.703 72 HG11 VAL 7 HG11 VAL 7 30.410 14.126 -2.592 73 HG12 VAL 7 HG12 VAL 7 30.499 14.009 -0.818 74 HG13 VAL 7 HG13 VAL 7 29.281 15.058 -1.579 75 HG21 VAL 7 HG21 VAL 7 27.073 14.027 -2.305 76 HG22 VAL 7 HG22 VAL 7 27.139 12.342 -2.876 77 HG23 VAL 7 HG23 VAL 7 28.159 13.582 -3.644 78 H ALA 8 HN ALA 8 29.305 10.318 -0.172 79 HA ALA 8 HA ALA 8 31.826 11.042 1.191 80 HB1 ALA 8 HB1 ALA 8 30.974 9.882 3.071 81 HB2 ALA 8 HB2 ALA 8 29.861 8.910 2.079 82 HB3 ALA 8 HB3 ALA 8 29.551 10.646 2.325 83 H ASN 9 HN ASN 9 33.447 9.571 1.826 84 HA ASN 9 HA ASN 9 34.839 7.734 1.595 85 HB2 ASN 9 HB2 ASN 9 32.828 6.255 -0.124 86 HB3 ASN 9 HB1 ASN 9 33.995 5.614 1.056 87 HD21 ASN 9 HD21 ASN 9 33.523 5.993 3.405 88 HD22 ASN 9 HD22 ASN 9 31.845 6.234 3.903 89 H LEU 10 HN LEU 10 33.006 8.762 -1.274 90 HA LEU 10 HA LEU 10 35.325 8.102 -3.038 91 HB2 LEU 10 HB2 LEU 10 32.681 9.363 -3.847 92 HB3 LEU 10 HB1 LEU 10 33.840 8.469 -4.861 93 HG LEU 10 HG LEU 10 32.163 7.312 -2.587 94 HD11 LEU 10 HD11 LEU 10 30.970 6.136 -4.342 95 HD12 LEU 10 HD12 LEU 10 32.099 6.736 -5.580 96 HD13 LEU 10 HD13 LEU 10 30.989 7.864 -4.765 97 HD21 LEU 10 HD21 LEU 10 33.113 5.112 -3.593 98 HD22 LEU 10 HD22 LEU 10 34.211 6.082 -2.586 99 HD23 LEU 10 HD23 LEU 10 34.347 6.141 -4.362 100 H LEU 11 HN LEU 11 34.103 10.685 -1.172 101 HA LEU 11 HA LEU 11 34.557 12.957 -2.745 102 HB2 LEU 11 HB2 LEU 11 33.652 13.165 -0.519 103 HB3 LEU 11 HB1 LEU 11 35.107 12.451 0.205 104 HG LEU 11 HG LEU 11 36.441 14.393 -0.374 105 HD11 LEU 11 HD11 LEU 11 35.674 15.018 -2.545 106 HD12 LEU 11 HD12 LEU 11 35.215 16.384 -1.504 107 HD13 LEU 11 HD13 LEU 11 33.990 15.187 -1.996 108 HD21 LEU 11 HD21 LEU 11 35.227 16.167 0.866 109 HD22 LEU 11 HD22 LEU 11 35.036 14.581 1.654 110 HD23 LEU 11 HD23 LEU 11 33.709 15.256 0.678 111 H LYS 12 HN LYS 12 36.965 11.714 -0.384 112 HA LYS 12 HA LYS 12 39.116 11.645 -2.305 113 HB2 LYS 12 HB2 LYS 12 38.828 14.113 -2.190 114 HB3 LYS 12 HB1 LYS 12 39.084 14.047 -0.430 115 HG2 LYS 12 HG2 LYS 12 41.350 13.346 -0.669 116 HG3 LYS 12 HG1 LYS 12 41.125 12.902 -2.377 117 HD2 LYS 12 HD2 LYS 12 42.366 15.056 -2.104 118 HD3 LYS 12 HD1 LYS 12 40.837 15.259 -2.991 119 HE2 LYS 12 HE2 LYS 12 41.353 16.979 -1.130 120 HE3 LYS 12 HE1 LYS 12 39.743 16.223 -1.107 121 HZ1 LYS 12 HZ1 LYS 12 40.726 16.204 1.088 122 HZ2 LYS 12 HZ2 LYS 12 42.101 15.390 0.512 123 HZ3 LYS 12 HZ3 LYS 12 40.588 14.615 0.513 124 H SER 13 HN SER 13 37.687 11.247 0.732 125 HA SER 13 HA SER 13 39.745 10.966 2.574 126 HB2 SER 13 HB2 SER 13 38.369 9.355 3.713 127 HB3 SER 13 HB1 SER 13 37.280 10.522 2.930 128 HG SER 13 HG SER 13 37.103 9.002 1.194 129 H LEU 14 HN LEU 14 41.251 9.430 3.164 130 HA LEU 14 HA LEU 14 42.845 7.803 2.776 131 HB2 LEU 14 HB2 LEU 14 40.546 6.481 2.812 132 HB3 LEU 14 HB1 LEU 14 40.868 6.242 1.083 133 HG LEU 14 HG LEU 14 42.668 5.441 3.416 134 HD11 LEU 14 HD11 LEU 14 41.304 3.766 1.264 135 HD12 LEU 14 HD12 LEU 14 40.655 4.006 2.904 136 HD13 LEU 14 HD13 LEU 14 42.209 3.167 2.674 137 HD21 LEU 14 HD21 LEU 14 44.022 4.360 1.492 138 HD22 LEU 14 HD22 LEU 14 44.165 6.122 1.676 139 HD23 LEU 14 HD23 LEU 14 43.122 5.441 0.403 140 H LEU 15 HN LEU 15 44.122 9.205 1.507 141 HA LEU 15 HA LEU 15 43.785 9.072 -1.452 142 HB2 LEU 15 HB2 LEU 15 45.920 10.630 -1.245 143 HB3 LEU 15 HB1 LEU 15 44.312 11.266 -0.834 144 HG LEU 15 HG LEU 15 44.706 10.895 1.544 145 HD11 LEU 15 HD11 LEU 15 46.004 8.883 1.612 146 HD12 LEU 15 HD12 LEU 15 47.083 10.152 2.231 147 HD13 LEU 15 HD13 LEU 15 47.264 9.570 0.559 148 HD21 LEU 15 HD21 LEU 15 46.453 12.537 1.894 149 HD22 LEU 15 HD22 LEU 15 45.609 12.962 0.385 150 HD23 LEU 15 HD23 LEU 15 47.195 12.157 0.320 Start of MODEL 8 1 H1 LYS 1 HT1 LYS 1 17.455 3.224 2.041 2 H2 LYS 1 HT2 LYS 1 16.386 4.214 1.165 3 H3 LYS 1 HT3 LYS 1 17.345 4.877 2.400 4 HA LYS 1 HA LYS 1 18.572 3.547 0.099 5 HB2 LYS 1 HB2 LYS 1 18.729 5.815 -0.960 6 HB3 LYS 1 HB1 LYS 1 17.069 5.180 -0.891 7 HG2 LYS 1 HG2 LYS 1 16.677 6.496 1.195 8 HG3 LYS 1 HG1 LYS 1 18.315 7.178 1.048 9 HD2 LYS 1 HD2 LYS 1 17.758 8.217 -1.080 10 HD3 LYS 1 HD1 LYS 1 16.172 7.407 -1.108 11 HE2 LYS 1 HE2 LYS 1 15.847 9.697 -0.349 12 HE3 LYS 1 HE1 LYS 1 15.596 8.607 1.036 13 HZ1 LYS 1 HZ1 LYS 1 17.105 9.857 2.064 14 HZ2 LYS 1 HZ2 LYS 1 17.600 10.622 0.631 15 HZ3 LYS 1 HZ3 LYS 1 18.273 9.126 1.076 16 H LYS 2 HN LYS 2 20.690 4.691 -0.357 17 HA LYS 2 HA LYS 2 21.857 6.221 1.851 18 HB2 LYS 2 HB2 LYS 2 23.727 4.290 2.046 19 HB3 LYS 2 HB1 LYS 2 22.273 4.278 3.064 20 HG2 LYS 2 HG2 LYS 2 22.680 2.053 2.077 21 HG3 LYS 2 HG1 LYS 2 21.154 2.736 1.481 22 HD2 LYS 2 HD2 LYS 2 22.210 3.395 -0.618 23 HD3 LYS 2 HD1 LYS 2 23.811 2.907 -0.007 24 HE2 LYS 2 HE2 LYS 2 22.752 1.194 -1.516 25 HE3 LYS 2 HE1 LYS 2 23.117 0.577 0.113 26 HZ1 LYS 2 HZ1 LYS 2 20.752 0.286 -1.036 27 HZ2 LYS 2 HZ2 LYS 2 20.487 1.785 -0.283 28 HZ3 LYS 2 HZ3 LYS 2 20.937 0.434 0.642 29 H LEU 3 HN LEU 3 21.667 7.289 -0.369 30 HA LEU 3 HA LEU 3 24.162 6.760 -1.963 31 HB2 LEU 3 HB2 LEU 3 21.911 8.684 -2.664 32 HB3 LEU 3 HB1 LEU 3 23.133 7.963 -3.739 33 HG LEU 3 HG LEU 3 20.873 6.483 -2.323 34 HD11 LEU 3 HD11 LEU 3 20.291 7.930 -4.327 35 HD12 LEU 3 HD12 LEU 3 19.945 6.197 -4.541 36 HD13 LEU 3 HD13 LEU 3 21.387 6.916 -5.296 37 HD21 LEU 3 HD21 LEU 3 23.207 5.543 -4.040 38 HD22 LEU 3 HD22 LEU 3 21.723 4.579 -3.855 39 HD23 LEU 3 HD23 LEU 3 22.717 4.960 -2.431 40 H LEU 4 HN LEU 4 23.250 8.255 0.739 41 HA LEU 4 HA LEU 4 24.260 10.970 0.192 42 HB2 LEU 4 HB2 LEU 4 23.847 9.808 2.959 43 HB3 LEU 4 HB1 LEU 4 23.632 11.480 2.396 44 HG LEU 4 HG LEU 4 21.886 9.083 1.678 45 HD11 LEU 4 HD11 LEU 4 21.328 11.637 3.251 46 HD12 LEU 4 HD12 LEU 4 21.539 10.014 3.952 47 HD13 LEU 4 HD13 LEU 4 20.148 10.353 2.893 48 HD21 LEU 4 HD21 LEU 4 20.477 10.922 0.570 49 HD22 LEU 4 HD22 LEU 4 21.985 10.497 -0.271 50 HD23 LEU 4 HD23 LEU 4 21.903 11.977 0.716 51 HA PRO 5 HA PRO 5 28.050 9.376 2.560 52 HB2 PRO 5 HB2 PRO 5 28.463 6.752 3.044 53 HB3 PRO 5 HB1 PRO 5 27.300 7.705 4.022 54 HG2 PRO 5 HG2 PRO 5 26.773 5.748 1.808 55 HG3 PRO 5 HG1 PRO 5 25.850 6.046 3.313 56 HD2 PRO 5 HD2 PRO 5 25.241 7.114 0.743 57 HD3 PRO 5 HD1 PRO 5 24.553 7.675 2.298 58 H ILE 6 HN ILE 6 26.926 7.877 -0.340 59 HA ILE 6 HA ILE 6 29.480 6.791 -1.215 60 HB ILE 6 HB ILE 6 27.169 7.671 -2.997 61 HG12 ILE 6 HG12 ILE 6 27.587 5.034 -1.511 62 HG13 ILE 6 HG11 ILE 6 26.330 6.237 -1.155 63 HG21 ILE 6 HG21 ILE 6 29.146 5.373 -3.323 64 HG22 ILE 6 HG22 ILE 6 29.445 6.997 -3.985 65 HG23 ILE 6 HG23 ILE 6 28.048 6.053 -4.546 66 HD11 ILE 6 HD1 ILE 6 26.604 4.450 -3.592 67 HD12 ILE 6 HD2 ILE 6 25.632 5.939 -3.658 68 HD13 ILE 6 HD3 ILE 6 25.209 4.649 -2.510 69 H VAL 7 HN VAL 7 27.858 9.921 -1.397 70 HA VAL 7 HA VAL 7 29.396 11.097 -3.440 71 HB VAL 7 HB VAL 7 28.433 12.469 -0.927 72 HG11 VAL 7 HG11 VAL 7 28.238 14.437 -2.516 73 HG12 VAL 7 HG12 VAL 7 29.060 13.450 -3.748 74 HG13 VAL 7 HG13 VAL 7 29.908 13.887 -2.246 75 HG21 VAL 7 HG21 VAL 7 26.348 12.923 -2.199 76 HG22 VAL 7 HG22 VAL 7 26.611 11.173 -2.006 77 HG23 VAL 7 HG23 VAL 7 26.971 11.961 -3.561 78 H ALA 8 HN ALA 8 30.018 10.381 -0.268 79 HA ALA 8 HA ALA 8 32.396 12.001 0.115 80 HB1 ALA 8 HB1 ALA 8 32.670 10.821 2.174 81 HB2 ALA 8 HB2 ALA 8 31.673 9.461 1.604 82 HB3 ALA 8 HB3 ALA 8 30.920 11.039 1.939 83 H ASN 9 HN ASN 9 31.750 8.706 -1.033 84 HA ASN 9 HA ASN 9 34.356 7.639 -0.901 85 HB2 ASN 9 HB2 ASN 9 32.320 7.252 -3.134 86 HB3 ASN 9 HB1 ASN 9 33.678 6.168 -2.744 87 HD21 ASN 9 HD21 ASN 9 32.875 7.186 0.253 88 HD22 ASN 9 HD22 ASN 9 31.636 5.997 0.668 89 H LEU 10 HN LEU 10 32.862 9.694 -3.420 90 HA LEU 10 HA LEU 10 35.033 9.642 -5.256 91 HB2 LEU 10 HB2 LEU 10 32.877 11.686 -4.623 92 HB3 LEU 10 HB1 LEU 10 34.102 12.002 -5.874 93 HG LEU 10 HG LEU 10 33.456 9.916 -7.044 94 HD11 LEU 10 HD11 LEU 10 31.539 9.679 -4.692 95 HD12 LEU 10 HD12 LEU 10 32.688 8.469 -5.314 96 HD13 LEU 10 HD13 LEU 10 31.223 8.861 -6.242 97 HD21 LEU 10 HD21 LEU 10 31.325 10.712 -7.896 98 HD22 LEU 10 HD22 LEU 10 32.314 12.134 -7.488 99 HD23 LEU 10 HD23 LEU 10 31.008 11.614 -6.395 100 H LEU 11 HN LEU 11 34.328 11.908 -2.558 101 HA LEU 11 HA LEU 11 36.823 13.366 -2.962 102 HB2 LEU 11 HB2 LEU 11 35.190 13.361 -0.404 103 HB3 LEU 11 HB1 LEU 11 36.152 14.680 -1.114 104 HG LEU 11 HG LEU 11 33.545 13.525 -2.200 105 HD11 LEU 11 HD11 LEU 11 34.303 16.273 -1.109 106 HD12 LEU 11 HD12 LEU 11 33.300 15.060 -0.277 107 HD13 LEU 11 HD13 LEU 11 32.714 15.826 -1.773 108 HD21 LEU 11 HD21 LEU 11 35.518 15.546 -3.347 109 HD22 LEU 11 HD22 LEU 11 33.816 15.470 -3.867 110 HD23 LEU 11 HD23 LEU 11 34.886 14.072 -4.118 111 H LYS 12 HN LYS 12 36.065 10.342 -1.658 112 HA LYS 12 HA LYS 12 37.261 8.849 -0.349 113 HB2 LYS 12 HB2 LYS 12 38.964 9.315 -2.115 114 HB3 LYS 12 HB1 LYS 12 39.625 10.614 -1.093 115 HG2 LYS 12 HG2 LYS 12 40.269 9.061 0.629 116 HG3 LYS 12 HG1 LYS 12 39.337 7.743 -0.117 117 HD2 LYS 12 HD2 LYS 12 41.779 7.530 -0.569 118 HD3 LYS 12 HD1 LYS 12 40.836 7.735 -2.063 119 HE2 LYS 12 HE2 LYS 12 43.001 9.155 -1.789 120 HE3 LYS 12 HE1 LYS 12 41.528 9.988 -2.335 121 HZ1 LYS 12 HZ1 LYS 12 41.229 10.971 -0.288 122 HZ2 LYS 12 HZ2 LYS 12 42.924 10.966 -0.402 123 HZ3 LYS 12 HZ3 LYS 12 42.129 9.803 0.548 124 H SER 13 HN SER 13 36.080 9.723 1.517 125 HA SER 13 HA SER 13 37.416 11.698 3.211 126 HB2 SER 13 HB2 SER 13 35.645 10.942 4.879 127 HB3 SER 13 HB1 SER 13 35.028 11.578 3.338 128 HG SER 13 HG SER 13 34.763 9.442 2.636 129 H LEU 14 HN LEU 14 36.221 8.907 4.871 130 HA LEU 14 HA LEU 14 37.291 7.541 6.419 131 HB2 LEU 14 HB2 LEU 14 39.506 7.293 4.358 132 HB3 LEU 14 HB1 LEU 14 38.917 6.067 5.507 133 HG LEU 14 HG LEU 14 37.389 7.206 3.125 134 HD11 LEU 14 HD11 LEU 14 38.380 4.380 3.707 135 HD12 LEU 14 HD12 LEU 14 39.213 5.538 2.643 136 HD13 LEU 14 HD13 LEU 14 37.588 4.950 2.218 137 HD21 LEU 14 HD21 LEU 14 35.746 6.790 4.811 138 HD22 LEU 14 HD22 LEU 14 36.584 5.327 5.385 139 HD23 LEU 14 HD23 LEU 14 35.747 5.317 3.814 140 H LEU 15 HN LEU 15 37.643 9.491 7.753 141 HA LEU 15 HA LEU 15 40.300 10.717 7.720 142 HB2 LEU 15 HB2 LEU 15 38.322 10.815 10.021 143 HB3 LEU 15 HB1 LEU 15 39.518 12.037 9.526 144 HG LEU 15 HG LEU 15 37.012 11.220 7.989 145 HD11 LEU 15 HD11 LEU 15 37.805 13.882 9.247 146 HD12 LEU 15 HD12 LEU 15 36.725 12.695 10.018 147 HD13 LEU 15 HD13 LEU 15 36.246 13.473 8.490 148 HD21 LEU 15 HD21 LEU 15 39.339 13.064 7.303 149 HD22 LEU 15 HD22 LEU 15 37.743 13.225 6.530 150 HD23 LEU 15 HD23 LEU 15 38.676 11.723 6.338 Start of MODEL 9 1 H1 LYS 1 HT1 LYS 1 17.353 12.355 1.372 2 H2 LYS 1 HT2 LYS 1 18.342 12.142 0.005 3 H3 LYS 1 HT3 LYS 1 18.912 11.710 1.548 4 HA LYS 1 HA LYS 1 17.118 10.063 1.699 5 HB2 LYS 1 HB2 LYS 1 15.660 11.135 -0.007 6 HB3 LYS 1 HB1 LYS 1 16.849 10.715 -1.264 7 HG2 LYS 1 HG2 LYS 1 16.525 8.355 -0.907 8 HG3 LYS 1 HG1 LYS 1 15.577 8.644 0.572 9 HD2 LYS 1 HD2 LYS 1 13.758 9.613 -0.683 10 HD3 LYS 1 HD1 LYS 1 14.728 9.650 -2.174 11 HE2 LYS 1 HE2 LYS 1 14.846 7.163 -2.144 12 HE3 LYS 1 HE1 LYS 1 13.834 7.144 -0.681 13 HZ1 LYS 1 HZ1 LYS 1 12.104 7.138 -2.054 14 HZ2 LYS 1 HZ2 LYS 1 13.067 7.464 -3.416 15 HZ3 LYS 1 HZ3 LYS 1 12.484 8.741 -2.457 16 H LYS 2 HN LYS 2 19.247 9.260 2.258 17 HA LYS 2 HA LYS 2 21.086 7.883 1.917 18 HB2 LYS 2 HB2 LYS 2 19.544 6.806 -0.470 19 HB3 LYS 2 HB1 LYS 2 20.741 5.953 0.534 20 HG2 LYS 2 HG2 LYS 2 19.213 6.221 2.508 21 HG3 LYS 2 HG1 LYS 2 17.997 6.940 1.426 22 HD2 LYS 2 HD2 LYS 2 17.903 4.887 0.095 23 HD3 LYS 2 HD1 LYS 2 19.211 4.166 1.064 24 HE2 LYS 2 HE2 LYS 2 16.918 3.393 1.759 25 HE3 LYS 2 HE1 LYS 2 17.816 4.200 3.066 26 HZ1 LYS 2 HZ1 LYS 2 15.565 5.026 2.963 27 HZ2 LYS 2 HZ2 LYS 2 15.741 5.440 1.325 28 HZ3 LYS 2 HZ3 LYS 2 16.637 6.261 2.512 29 H LEU 3 HN LEU 3 22.297 6.786 -0.271 30 HA LEU 3 HA LEU 3 23.838 7.318 -1.909 31 HB2 LEU 3 HB2 LEU 3 22.176 9.774 -2.577 32 HB3 LEU 3 HB1 LEU 3 23.245 8.839 -3.644 33 HG LEU 3 HG LEU 3 20.610 7.887 -2.433 34 HD11 LEU 3 HD11 LEU 3 21.460 8.379 -5.321 35 HD12 LEU 3 HD12 LEU 3 20.450 9.482 -4.353 36 HD13 LEU 3 HD13 LEU 3 19.851 7.857 -4.766 37 HD21 LEU 3 HD21 LEU 3 21.085 5.893 -4.022 38 HD22 LEU 3 HD22 LEU 3 22.019 5.957 -2.512 39 HD23 LEU 3 HD23 LEU 3 22.771 6.466 -4.044 40 H LEU 4 HN LEU 4 23.269 9.043 0.826 41 HA LEU 4 HA LEU 4 25.035 11.328 0.322 42 HB2 LEU 4 HB2 LEU 4 24.324 10.236 3.062 43 HB3 LEU 4 HB1 LEU 4 24.699 11.907 2.591 44 HG LEU 4 HG LEU 4 22.225 10.314 1.801 45 HD11 LEU 4 HD11 LEU 4 22.376 11.235 4.160 46 HD12 LEU 4 HD12 LEU 4 21.028 11.886 3.197 47 HD13 LEU 4 HD13 LEU 4 22.496 12.861 3.447 48 HD21 LEU 4 HD21 LEU 4 22.754 11.719 -0.074 49 HD22 LEU 4 HD22 LEU 4 23.254 13.063 0.981 50 HD23 LEU 4 HD23 LEU 4 21.535 12.616 0.858 51 HA PRO 5 HA PRO 5 28.267 8.622 2.484 52 HB2 PRO 5 HB2 PRO 5 27.889 5.999 2.959 53 HB3 PRO 5 HB1 PRO 5 27.085 7.240 3.973 54 HG2 PRO 5 HG2 PRO 5 25.943 5.543 1.780 55 HG3 PRO 5 HG1 PRO 5 25.188 6.096 3.304 56 HD2 PRO 5 HD2 PRO 5 24.880 7.311 0.733 57 HD3 PRO 5 HD1 PRO 5 24.390 8.026 2.303 58 H ILE 6 HN ILE 6 27.693 8.938 -0.352 59 HA ILE 6 HA ILE 6 29.548 6.830 -1.425 60 HB ILE 6 HB ILE 6 27.139 7.860 -2.988 61 HG12 ILE 6 HG12 ILE 6 27.443 5.297 -1.356 62 HG13 ILE 6 HG11 ILE 6 26.303 6.623 -1.037 63 HG21 ILE 6 HG21 ILE 6 29.239 6.901 -4.138 64 HG22 ILE 6 HG22 ILE 6 27.694 6.120 -4.538 65 HG23 ILE 6 HG23 ILE 6 28.812 5.344 -3.390 66 HD11 ILE 6 HD1 ILE 6 25.422 6.183 -3.449 67 HD12 ILE 6 HD2 ILE 6 24.997 5.006 -2.184 68 HD13 ILE 6 HD3 ILE 6 26.302 4.640 -3.335 69 H VAL 7 HN VAL 7 28.008 10.028 -1.752 70 HA VAL 7 HA VAL 7 29.696 10.934 -3.871 71 HB VAL 7 HB VAL 7 28.364 12.581 -1.715 72 HG11 VAL 7 HG11 VAL 7 29.439 13.231 -4.494 73 HG12 VAL 7 HG12 VAL 7 29.962 13.918 -2.937 74 HG13 VAL 7 HG13 VAL 7 28.356 14.316 -3.591 75 HG21 VAL 7 HG21 VAL 7 27.338 11.627 -4.430 76 HG22 VAL 7 HG22 VAL 7 26.515 12.825 -3.403 77 HG23 VAL 7 HG23 VAL 7 26.713 11.151 -2.833 78 H ALA 8 HN ALA 8 29.931 10.698 -0.576 79 HA ALA 8 HA ALA 8 32.309 12.398 -0.241 80 HB1 ALA 8 HB1 ALA 8 30.528 12.030 1.520 81 HB2 ALA 8 HB2 ALA 8 32.203 11.784 2.070 82 HB3 ALA 8 HB3 ALA 8 31.166 10.381 1.715 83 H ASN 9 HN ASN 9 31.575 9.018 -0.836 84 HA ASN 9 HA ASN 9 34.026 7.867 0.063 85 HB2 ASN 9 HB2 ASN 9 32.042 6.540 -0.570 86 HB3 ASN 9 HB1 ASN 9 32.254 7.029 -2.268 87 HD21 ASN 9 HD21 ASN 9 32.522 4.649 -2.737 88 HD22 ASN 9 HD22 ASN 9 34.098 3.910 -2.434 89 H LEU 10 HN LEU 10 33.065 9.023 -3.203 90 HA LEU 10 HA LEU 10 35.743 8.588 -4.276 91 HB2 LEU 10 HB2 LEU 10 33.595 10.375 -5.466 92 HB3 LEU 10 HB1 LEU 10 34.876 9.469 -6.306 93 HG LEU 10 HG LEU 10 32.495 8.280 -4.814 94 HD11 LEU 10 HD11 LEU 10 33.261 8.294 -7.769 95 HD12 LEU 10 HD12 LEU 10 31.972 9.275 -7.032 96 HD13 LEU 10 HD13 LEU 10 31.832 7.502 -7.065 97 HD21 LEU 10 HD21 LEU 10 34.298 6.746 -4.493 98 HD22 LEU 10 HD22 LEU 10 34.947 7.032 -6.126 99 HD23 LEU 10 HD23 LEU 10 33.431 6.122 -5.914 100 H LEU 11 HN LEU 11 34.250 11.048 -2.393 101 HA LEU 11 HA LEU 11 36.385 13.031 -3.176 102 HB2 LEU 11 HB2 LEU 11 33.896 13.645 -3.385 103 HB3 LEU 11 HB1 LEU 11 33.841 13.585 -1.610 104 HG LEU 11 HG LEU 11 35.957 15.197 -1.763 105 HD11 LEU 11 HD11 LEU 11 34.604 15.595 -4.476 106 HD12 LEU 11 HD12 LEU 11 36.295 15.121 -4.185 107 HD13 LEU 11 HD13 LEU 11 35.739 16.749 -3.742 108 HD21 LEU 11 HD21 LEU 11 34.419 17.167 -1.812 109 HD22 LEU 11 HD22 LEU 11 33.799 15.850 -0.785 110 HD23 LEU 11 HD23 LEU 11 33.116 16.111 -2.408 111 H LYS 12 HN LYS 12 37.924 11.816 -1.857 112 HA LYS 12 HA LYS 12 39.111 11.513 0.112 113 HB2 LYS 12 HB2 LYS 12 37.465 13.815 1.221 114 HB3 LYS 12 HB1 LYS 12 39.095 13.303 1.715 115 HG2 LYS 12 HG2 LYS 12 38.356 14.384 -1.045 116 HG3 LYS 12 HG1 LYS 12 39.143 15.321 0.247 117 HD2 LYS 12 HD2 LYS 12 40.951 13.436 0.237 118 HD3 LYS 12 HD1 LYS 12 40.250 12.968 -1.331 119 HE2 LYS 12 HE2 LYS 12 41.292 15.751 -0.648 120 HE3 LYS 12 HE1 LYS 12 42.178 14.529 -1.589 121 HZ1 LYS 12 HZ1 LYS 12 40.270 16.350 -2.503 122 HZ2 LYS 12 HZ2 LYS 12 39.579 14.805 -2.639 123 HZ3 LYS 12 HZ3 LYS 12 41.066 15.142 -3.387 124 H SER 13 HN SER 13 38.109 9.470 0.456 125 HA SER 13 HA SER 13 35.709 9.276 2.103 126 HB2 SER 13 HB2 SER 13 36.417 7.536 0.450 127 HB3 SER 13 HB1 SER 13 37.810 7.161 1.488 128 HG SER 13 HG SER 13 35.338 6.241 1.674 129 H LEU 14 HN LEU 14 36.382 10.690 3.870 130 HA LEU 14 HA LEU 14 38.602 9.868 5.578 131 HB2 LEU 14 HB2 LEU 14 36.247 11.713 6.140 132 HB3 LEU 14 HB1 LEU 14 37.720 11.582 7.124 133 HG LEU 14 HG LEU 14 37.828 12.277 4.157 134 HD11 LEU 14 HD11 LEU 14 36.385 13.941 5.272 135 HD12 LEU 14 HD12 LEU 14 37.955 14.661 4.844 136 HD13 LEU 14 HD13 LEU 14 37.621 14.189 6.528 137 HD21 LEU 14 HD21 LEU 14 39.733 12.566 6.529 138 HD22 LEU 14 HD22 LEU 14 39.979 13.426 4.992 139 HD23 LEU 14 HD23 LEU 14 39.986 11.651 5.026 140 H LEU 15 HN LEU 15 37.683 9.990 8.123 141 HA LEU 15 HA LEU 15 36.839 7.339 8.636 142 HB2 LEU 15 HB2 LEU 15 36.750 9.897 10.267 143 HB3 LEU 15 HB1 LEU 15 36.138 8.364 10.932 144 HG LEU 15 HG LEU 15 38.337 7.300 10.508 145 HD11 LEU 15 HD11 LEU 15 40.265 8.949 9.972 146 HD12 LEU 15 HD12 LEU 15 38.995 10.056 9.399 147 HD13 LEU 15 HD13 LEU 15 39.211 8.469 8.622 148 HD21 LEU 15 HD21 LEU 15 37.796 8.546 12.660 149 HD22 LEU 15 HD22 LEU 15 38.683 9.940 11.994 150 HD23 LEU 15 HD23 LEU 15 39.534 8.406 12.299 Start of MODEL 10 1 H1 LYS 1 HT1 LYS 1 17.168 9.436 -5.707 2 H2 LYS 1 HT2 LYS 1 16.989 10.854 -6.626 3 H3 LYS 1 HT3 LYS 1 16.181 10.692 -5.139 4 HA LYS 1 HA LYS 1 18.826 11.565 -5.708 5 HB2 LYS 1 HB2 LYS 1 16.883 11.659 -3.374 6 HB3 LYS 1 HB1 LYS 1 18.531 12.317 -3.250 7 HG2 LYS 1 HG2 LYS 1 16.958 14.098 -3.874 8 HG3 LYS 1 HG1 LYS 1 18.080 13.779 -5.218 9 HD2 LYS 1 HD2 LYS 1 16.433 12.649 -6.496 10 HD3 LYS 1 HD1 LYS 1 15.386 12.371 -5.083 11 HE2 LYS 1 HE2 LYS 1 16.021 15.155 -6.143 12 HE3 LYS 1 HE1 LYS 1 14.619 14.206 -6.697 13 HZ1 LYS 1 HZ1 LYS 1 14.049 15.690 -4.863 14 HZ2 LYS 1 HZ2 LYS 1 15.204 14.939 -3.869 15 HZ3 LYS 1 HZ3 LYS 1 13.853 14.066 -4.415 16 H LYS 2 HN LYS 2 20.584 11.255 -4.093 17 HA LYS 2 HA LYS 2 20.566 8.870 -2.443 18 HB2 LYS 2 HB2 LYS 2 20.745 7.961 -4.852 19 HB3 LYS 2 HB1 LYS 2 22.357 8.712 -4.896 20 HG2 LYS 2 HG2 LYS 2 23.142 7.342 -3.071 21 HG3 LYS 2 HG1 LYS 2 21.500 6.761 -2.711 22 HD2 LYS 2 HD2 LYS 2 22.806 5.061 -3.953 23 HD3 LYS 2 HD1 LYS 2 21.402 5.619 -4.894 24 HE2 LYS 2 HE2 LYS 2 24.099 6.967 -5.256 25 HE3 LYS 2 HE1 LYS 2 23.744 5.433 -6.084 26 HZ1 LYS 2 HZ1 LYS 2 22.973 7.973 -6.863 27 HZ2 LYS 2 HZ2 LYS 2 21.551 7.218 -6.321 28 HZ3 LYS 2 HZ3 LYS 2 22.486 6.497 -7.543 29 H LEU 3 HN LEU 3 21.071 11.370 -1.699 30 HA LEU 3 HA LEU 3 23.883 12.082 -1.929 31 HB2 LEU 3 HB2 LEU 3 21.580 12.966 -0.155 32 HB3 LEU 3 HB1 LEU 3 23.235 13.546 0.140 33 HG LEU 3 HG LEU 3 23.361 14.462 -2.132 34 HD11 LEU 3 HD11 LEU 3 22.065 12.938 -3.438 35 HD12 LEU 3 HD12 LEU 3 21.161 14.467 -3.487 36 HD13 LEU 3 HD13 LEU 3 20.627 13.153 -2.412 37 HD21 LEU 3 HD21 LEU 3 22.295 15.782 -0.252 38 HD22 LEU 3 HD22 LEU 3 20.707 15.246 -0.851 39 HD23 LEU 3 HD23 LEU 3 21.747 16.264 -1.875 40 H LEU 4 HN LEU 4 22.491 9.452 -0.640 41 HA LEU 4 HA LEU 4 23.362 9.176 2.000 42 HB2 LEU 4 HB2 LEU 4 23.628 7.010 -0.117 43 HB3 LEU 4 HB1 LEU 4 23.357 6.788 1.624 44 HG LEU 4 HG LEU 4 21.420 8.049 -0.367 45 HD11 LEU 4 HD11 LEU 4 21.603 5.573 -0.459 46 HD12 LEU 4 HD12 LEU 4 20.025 6.090 0.181 47 HD13 LEU 4 HD13 LEU 4 21.283 5.492 1.289 48 HD21 LEU 4 HD21 LEU 4 21.047 9.242 1.656 49 HD22 LEU 4 HD22 LEU 4 21.391 7.817 2.669 50 HD23 LEU 4 HD23 LEU 4 19.875 7.907 1.740 51 HA PRO 5 HA PRO 5 27.804 9.416 2.266 52 HB2 PRO 5 HB2 PRO 5 27.664 6.592 3.369 53 HB3 PRO 5 HB1 PRO 5 28.602 8.000 3.965 54 HG2 PRO 5 HG2 PRO 5 26.330 7.273 5.155 55 HG3 PRO 5 HG1 PRO 5 26.732 9.003 4.919 56 HD2 PRO 5 HD2 PRO 5 24.706 7.317 3.470 57 HD3 PRO 5 HD1 PRO 5 24.705 9.080 3.808 58 H ILE 6 HN ILE 6 27.930 9.354 -0.109 59 HA ILE 6 HA ILE 6 29.462 6.976 -1.010 60 HB ILE 6 HB ILE 6 27.076 7.950 -2.655 61 HG12 ILE 6 HG12 ILE 6 27.397 5.481 -0.882 62 HG13 ILE 6 HG11 ILE 6 26.207 6.783 -0.688 63 HG21 ILE 6 HG21 ILE 6 28.759 5.425 -2.964 64 HG22 ILE 6 HG22 ILE 6 29.156 6.942 -3.803 65 HG23 ILE 6 HG23 ILE 6 27.614 6.127 -4.130 66 HD11 ILE 6 HD1 ILE 6 24.975 5.064 -1.749 67 HD12 ILE 6 HD2 ILE 6 26.324 4.637 -2.826 68 HD13 ILE 6 HD3 ILE 6 25.416 6.147 -3.092 69 H VAL 7 HN VAL 7 28.021 10.155 -1.784 70 HA VAL 7 HA VAL 7 29.775 10.785 -3.919 71 HB VAL 7 HB VAL 7 28.548 12.700 -1.929 72 HG11 VAL 7 HG11 VAL 7 30.200 13.825 -3.292 73 HG12 VAL 7 HG12 VAL 7 28.607 14.242 -3.966 74 HG13 VAL 7 HG13 VAL 7 29.620 13.017 -4.766 75 HG21 VAL 7 HG21 VAL 7 26.693 12.869 -3.614 76 HG22 VAL 7 HG22 VAL 7 26.820 11.246 -2.892 77 HG23 VAL 7 HG23 VAL 7 27.446 11.542 -4.532 78 H ALA 8 HN ALA 8 30.031 10.860 -0.618 79 HA ALA 8 HA ALA 8 32.409 12.525 -0.394 80 HB1 ALA 8 HB1 ALA 8 32.406 11.923 1.921 81 HB2 ALA 8 HB2 ALA 8 31.410 10.480 1.610 82 HB3 ALA 8 HB3 ALA 8 30.706 12.106 1.433 83 H ASN 9 HN ASN 9 31.757 9.028 -0.561 84 HA ASN 9 HA ASN 9 34.303 8.037 0.098 85 HB2 ASN 9 HB2 ASN 9 32.450 7.023 -2.095 86 HB3 ASN 9 HB1 ASN 9 33.734 6.091 -1.286 87 HD21 ASN 9 HD21 ASN 9 32.175 4.543 -0.398 88 HD22 ASN 9 HD22 ASN 9 31.104 5.015 0.925 89 H LEU 10 HN LEU 10 33.160 9.522 -2.915 90 HA LEU 10 HA LEU 10 35.588 8.862 -4.398 91 HB2 LEU 10 HB2 LEU 10 33.642 11.092 -5.075 92 HB3 LEU 10 HB1 LEU 10 34.626 10.098 -6.176 93 HG LEU 10 HG LEU 10 32.268 9.148 -4.490 94 HD11 LEU 10 HD11 LEU 10 31.795 10.506 -6.582 95 HD12 LEU 10 HD12 LEU 10 31.142 8.850 -6.613 96 HD13 LEU 10 HD13 LEU 10 32.627 9.240 -7.514 97 HD21 LEU 10 HD21 LEU 10 33.815 7.318 -4.566 98 HD22 LEU 10 HD22 LEU 10 34.268 7.670 -6.250 99 HD23 LEU 10 HD23 LEU 10 32.660 7.003 -5.881 100 H LEU 11 HN LEU 11 34.335 11.716 -2.654 101 HA LEU 11 HA LEU 11 36.281 13.593 -3.399 102 HB2 LEU 11 HB2 LEU 11 34.399 14.259 -2.052 103 HB3 LEU 11 HB1 LEU 11 34.864 13.151 -0.743 104 HG LEU 11 HG LEU 11 36.818 14.479 -0.203 105 HD11 LEU 11 HD11 LEU 11 37.183 16.669 -1.546 106 HD12 LEU 11 HD12 LEU 11 36.155 15.928 -2.796 107 HD13 LEU 11 HD13 LEU 11 37.684 15.150 -2.323 108 HD21 LEU 11 HD21 LEU 11 34.549 16.428 -0.786 109 HD22 LEU 11 HD22 LEU 11 35.770 16.543 0.504 110 HD23 LEU 11 HD23 LEU 11 34.528 15.269 0.563 111 H LYS 12 HN LYS 12 36.420 12.001 -0.188 112 HA LYS 12 HA LYS 12 39.133 11.024 -0.622 113 HB2 LYS 12 HB2 LYS 12 39.470 13.525 -0.344 114 HB3 LYS 12 HB1 LYS 12 38.816 13.356 1.302 115 HG2 LYS 12 HG2 LYS 12 40.605 11.843 1.933 116 HG3 LYS 12 HG1 LYS 12 41.189 11.752 0.256 117 HD2 LYS 12 HD2 LYS 12 42.588 13.291 1.600 118 HD3 LYS 12 HD1 LYS 12 41.738 14.165 0.304 119 HE2 LYS 12 HE2 LYS 12 40.223 15.179 1.809 120 HE3 LYS 12 HE1 LYS 12 40.504 13.955 3.072 121 HZ1 LYS 12 HZ1 LYS 12 42.150 15.166 3.890 122 HZ2 LYS 12 HZ2 LYS 12 41.747 16.411 2.806 123 HZ3 LYS 12 HZ3 LYS 12 42.927 15.264 2.386 124 H SER 13 HN SER 13 37.467 9.310 0.054 125 HA SER 13 HA SER 13 36.668 7.864 1.686 126 HB2 SER 13 HB2 SER 13 38.909 8.972 3.409 127 HB3 SER 13 HB1 SER 13 38.173 7.357 3.483 128 HG SER 13 HG SER 13 40.263 7.698 2.271 129 H LEU 14 HN LEU 14 36.011 7.689 4.107 130 HA LEU 14 HA LEU 14 34.254 9.984 4.624 131 HB2 LEU 14 HB2 LEU 14 34.717 7.601 6.452 132 HB3 LEU 14 HB1 LEU 14 33.262 8.615 6.297 133 HG LEU 14 HG LEU 14 34.373 6.711 4.186 134 HD11 LEU 14 HD11 LEU 14 31.782 6.650 5.798 135 HD12 LEU 14 HD12 LEU 14 33.217 5.655 6.142 136 HD13 LEU 14 HD13 LEU 14 32.325 5.434 4.617 137 HD21 LEU 14 HD21 LEU 14 32.106 7.311 3.073 138 HD22 LEU 14 HD22 LEU 14 33.396 8.532 2.984 139 HD23 LEU 14 HD23 LEU 14 32.077 8.715 4.167 140 H LEU 15 HN LEU 15 35.697 11.701 5.051 141 HA LEU 15 HA LEU 15 36.484 11.843 7.863 142 HB2 LEU 15 HB2 LEU 15 38.442 10.650 7.033 143 HB3 LEU 15 HB1 LEU 15 38.617 11.795 5.687 144 HG LEU 15 HG LEU 15 39.146 13.616 7.243 145 HD11 LEU 15 HD11 LEU 15 37.842 13.217 9.187 146 HD12 LEU 15 HD12 LEU 15 39.499 12.889 9.738 147 HD13 LEU 15 HD13 LEU 15 38.410 11.537 9.340 148 HD21 LEU 15 HD21 LEU 15 40.981 12.126 6.509 149 HD22 LEU 15 HD22 LEU 15 40.683 11.064 7.907 150 HD23 LEU 15 HD23 LEU 15 41.269 12.727 8.159 Start of MODEL 11 1 H1 LYS 1 HT1 LYS 1 17.969 12.859 -4.701 2 H2 LYS 1 HT2 LYS 1 19.443 13.698 -4.787 3 H3 LYS 1 HT3 LYS 1 19.211 12.501 -3.605 4 HA LYS 1 HA LYS 1 18.694 11.150 -5.846 5 HB2 LYS 1 HB2 LYS 1 20.883 13.196 -6.372 6 HB3 LYS 1 HB1 LYS 1 20.668 11.705 -7.321 7 HG2 LYS 1 HG2 LYS 1 18.485 12.383 -8.066 8 HG3 LYS 1 HG1 LYS 1 18.431 13.727 -6.901 9 HD2 LYS 1 HD2 LYS 1 18.951 14.555 -9.172 10 HD3 LYS 1 HD1 LYS 1 20.321 14.823 -8.069 11 HE2 LYS 1 HE2 LYS 1 20.193 12.292 -9.742 12 HE3 LYS 1 HE1 LYS 1 20.786 13.811 -10.453 13 HZ1 LYS 1 HZ1 LYS 1 22.015 13.618 -7.994 14 HZ2 LYS 1 HZ2 LYS 1 22.725 13.356 -9.515 15 HZ3 LYS 1 HZ3 LYS 1 22.089 12.050 -8.636 16 H LYS 2 HN LYS 2 19.148 10.312 -3.444 17 HA LYS 2 HA LYS 2 20.486 8.946 -2.125 18 HB2 LYS 2 HB2 LYS 2 22.127 8.535 -4.653 19 HB3 LYS 2 HB1 LYS 2 21.979 7.433 -3.263 20 HG2 LYS 2 HG2 LYS 2 19.518 7.245 -3.736 21 HG3 LYS 2 HG1 LYS 2 19.764 8.224 -5.202 22 HD2 LYS 2 HD2 LYS 2 21.314 6.552 -6.105 23 HD3 LYS 2 HD1 LYS 2 21.187 5.592 -4.610 24 HE2 LYS 2 HE2 LYS 2 18.750 5.303 -5.017 25 HE3 LYS 2 HE1 LYS 2 18.903 6.225 -6.532 26 HZ1 LYS 2 HZ1 LYS 2 20.853 4.170 -6.423 27 HZ2 LYS 2 HZ2 LYS 2 19.620 4.416 -7.565 28 HZ3 LYS 2 HZ3 LYS 2 19.314 3.508 -6.162 29 H LEU 3 HN LEU 3 21.024 11.549 -1.732 30 HA LEU 3 HA LEU 3 23.816 12.218 -2.122 31 HB2 LEU 3 HB2 LEU 3 21.612 13.251 -0.301 32 HB3 LEU 3 HB1 LEU 3 23.273 13.877 -0.193 33 HG LEU 3 HG LEU 3 23.213 14.547 -2.554 34 HD11 LEU 3 HD11 LEU 3 21.843 12.912 -3.613 35 HD12 LEU 3 HD12 LEU 3 20.886 14.407 -3.706 36 HD13 LEU 3 HD13 LEU 3 20.496 13.176 -2.479 37 HD21 LEU 3 HD21 LEU 3 22.306 16.071 -0.770 38 HD22 LEU 3 HD22 LEU 3 20.676 15.444 -1.115 39 HD23 LEU 3 HD23 LEU 3 21.566 16.345 -2.365 40 H LEU 4 HN LEU 4 22.458 9.745 -0.460 41 HA LEU 4 HA LEU 4 23.547 9.781 2.122 42 HB2 LEU 4 HB2 LEU 4 23.555 7.323 0.338 43 HB3 LEU 4 HB1 LEU 4 23.363 7.391 2.103 44 HG LEU 4 HG LEU 4 21.392 8.381 -0.001 45 HD11 LEU 4 HD11 LEU 4 21.214 6.239 2.164 46 HD12 LEU 4 HD12 LEU 4 21.427 5.936 0.423 47 HD13 LEU 4 HD13 LEU 4 19.922 6.676 1.020 48 HD21 LEU 4 HD21 LEU 4 21.491 8.760 3.020 49 HD22 LEU 4 HD22 LEU 4 19.955 8.808 2.121 50 HD23 LEU 4 HD23 LEU 4 21.234 9.990 1.760 51 HA PRO 5 HA PRO 5 28.002 9.809 1.925 52 HB2 PRO 5 HB2 PRO 5 27.869 7.190 3.450 53 HB3 PRO 5 HB1 PRO 5 28.904 8.624 3.741 54 HG2 PRO 5 HG2 PRO 5 26.733 8.175 5.227 55 HG3 PRO 5 HG1 PRO 5 27.174 9.834 4.714 56 HD2 PRO 5 HD2 PRO 5 24.955 8.069 3.706 57 HD3 PRO 5 HD1 PRO 5 25.052 9.860 3.792 58 H ILE 6 HN ILE 6 27.926 9.403 -0.407 59 HA ILE 6 HA ILE 6 29.151 6.771 -1.072 60 HB ILE 6 HB ILE 6 26.726 7.826 -2.614 61 HG12 ILE 6 HG12 ILE 6 27.045 5.483 -0.677 62 HG13 ILE 6 HG11 ILE 6 25.995 6.899 -0.470 63 HG21 ILE 6 HG21 ILE 6 28.565 6.549 -3.894 64 HG22 ILE 6 HG22 ILE 6 26.945 5.835 -3.962 65 HG23 ILE 6 HG23 ILE 6 28.171 5.150 -2.870 66 HD11 ILE 6 HD1 ILE 6 24.509 5.231 -1.238 67 HD12 ILE 6 HD2 ILE 6 25.688 4.587 -2.404 68 HD13 ILE 6 HD3 ILE 6 24.890 6.149 -2.714 69 H VAL 7 HN VAL 7 27.894 9.869 -2.415 70 HA VAL 7 HA VAL 7 29.879 9.933 -4.497 71 HB VAL 7 HB VAL 7 28.316 12.246 -3.346 72 HG11 VAL 7 HG11 VAL 7 30.113 13.015 -4.775 73 HG12 VAL 7 HG12 VAL 7 28.609 13.120 -5.722 74 HG13 VAL 7 HG13 VAL 7 29.744 11.777 -6.000 75 HG21 VAL 7 HG21 VAL 7 26.705 11.771 -5.216 76 HG22 VAL 7 HG22 VAL 7 26.780 10.453 -4.022 77 HG23 VAL 7 HG23 VAL 7 27.618 10.288 -5.584 78 H ALA 8 HN ALA 8 29.621 10.962 -1.360 79 HA ALA 8 HA ALA 8 31.973 12.727 -1.348 80 HB1 ALA 8 HB1 ALA 8 31.581 12.755 1.124 81 HB2 ALA 8 HB2 ALA 8 30.252 11.595 0.883 82 HB3 ALA 8 HB3 ALA 8 30.155 13.221 0.167 83 H ASN 9 HN ASN 9 31.172 9.396 -0.409 84 HA ASN 9 HA ASN 9 33.439 8.714 1.086 85 HB2 ASN 9 HB2 ASN 9 31.497 7.217 0.612 86 HB3 ASN 9 HB1 ASN 9 32.117 6.985 -1.042 87 HD21 ASN 9 HD21 ASN 9 32.901 6.452 2.434 88 HD22 ASN 9 HD22 ASN 9 34.072 5.166 2.125 89 H LEU 10 HN LEU 10 33.164 9.355 -2.357 90 HA LEU 10 HA LEU 10 35.756 8.159 -3.022 91 HB2 LEU 10 HB2 LEU 10 34.234 10.216 -4.660 92 HB3 LEU 10 HB1 LEU 10 35.353 8.954 -5.228 93 HG LEU 10 HG LEU 10 32.610 8.511 -3.965 94 HD11 LEU 10 HD11 LEU 10 32.612 9.325 -6.326 95 HD12 LEU 10 HD12 LEU 10 32.012 7.655 -6.193 96 HD13 LEU 10 HD13 LEU 10 33.665 7.963 -6.776 97 HD21 LEU 10 HD21 LEU 10 33.955 6.665 -3.262 98 HD22 LEU 10 HD22 LEU 10 34.831 6.603 -4.810 99 HD23 LEU 10 HD23 LEU 10 33.131 6.081 -4.725 100 H LEU 11 HN LEU 11 34.484 11.465 -2.498 101 HA LEU 11 HA LEU 11 36.955 12.796 -3.089 102 HB2 LEU 11 HB2 LEU 11 34.896 14.049 -3.078 103 HB3 LEU 11 HB1 LEU 11 34.544 13.574 -1.403 104 HG LEU 11 HG LEU 11 36.371 14.919 -0.553 105 HD11 LEU 11 HD11 LEU 11 37.129 15.173 -3.489 106 HD12 LEU 11 HD12 LEU 11 38.130 14.599 -2.134 107 HD13 LEU 11 HD13 LEU 11 37.721 16.324 -2.267 108 HD21 LEU 11 HD21 LEU 11 34.250 16.096 -1.148 109 HD22 LEU 11 HD22 LEU 11 34.932 16.473 -2.749 110 HD23 LEU 11 HD23 LEU 11 35.670 17.159 -1.281 111 H LYS 12 HN LYS 12 35.412 12.192 0.110 112 HA LYS 12 HA LYS 12 37.545 12.995 1.727 113 HB2 LYS 12 HB2 LYS 12 35.250 12.257 2.481 114 HB3 LYS 12 HB1 LYS 12 35.788 10.574 2.272 115 HG2 LYS 12 HG2 LYS 12 37.588 10.901 3.895 116 HG3 LYS 12 HG1 LYS 12 37.181 12.627 4.044 117 HD2 LYS 12 HD2 LYS 12 35.031 12.116 5.023 118 HD3 LYS 12 HD1 LYS 12 35.221 10.382 4.669 119 HE2 LYS 12 HE2 LYS 12 37.221 10.334 6.180 120 HE3 LYS 12 HE1 LYS 12 36.913 12.038 6.592 121 HZ1 LYS 12 HZ1 LYS 12 35.899 9.981 7.950 122 HZ2 LYS 12 HZ2 LYS 12 34.641 10.234 6.836 123 HZ3 LYS 12 HZ3 LYS 12 35.145 11.498 7.854 124 H SER 13 HN SER 13 36.859 9.553 0.927 125 HA SER 13 HA SER 13 39.506 8.717 1.749 126 HB2 SER 13 HB2 SER 13 37.591 7.224 -0.076 127 HB3 SER 13 HB1 SER 13 38.865 6.541 0.959 128 HG SER 13 HG SER 13 37.566 7.756 2.682 129 H LEU 14 HN LEU 14 41.147 7.747 0.402 130 HA LEU 14 HA LEU 14 41.783 9.423 -1.875 131 HB2 LEU 14 HB2 LEU 14 43.079 6.757 -1.209 132 HB3 LEU 14 HB1 LEU 14 43.804 8.170 -2.013 133 HG LEU 14 HG LEU 14 42.883 8.030 0.893 134 HD11 LEU 14 HD11 LEU 14 45.660 8.275 -0.344 135 HD12 LEU 14 HD12 LEU 14 44.987 6.795 0.379 136 HD13 LEU 14 HD13 LEU 14 45.286 8.227 1.394 137 HD21 LEU 14 HD21 LEU 14 44.133 10.304 0.942 138 HD22 LEU 14 HD22 LEU 14 42.526 10.285 0.182 139 HD23 LEU 14 HD23 LEU 14 43.990 10.284 -0.833 140 H LEU 15 HN LEU 15 40.996 5.928 -1.569 141 HA LEU 15 HA LEU 15 40.824 5.585 -4.448 142 HB2 LEU 15 HB2 LEU 15 41.344 3.779 -2.718 143 HB3 LEU 15 HB1 LEU 15 39.621 3.817 -2.289 144 HG LEU 15 HG LEU 15 39.227 3.476 -4.891 145 HD11 LEU 15 HD11 LEU 15 42.098 2.499 -4.526 146 HD12 LEU 15 HD12 LEU 15 41.523 3.735 -5.670 147 HD13 LEU 15 HD13 LEU 15 41.051 2.035 -5.886 148 HD21 LEU 15 HD21 LEU 15 40.326 1.240 -3.128 149 HD22 LEU 15 HD22 LEU 15 39.319 1.020 -4.580 150 HD23 LEU 15 HD23 LEU 15 38.644 1.823 -3.142 Start of MODEL 12 1 H1 LYS 1 HT1 LYS 1 17.255 13.479 -0.961 2 H2 LYS 1 HT2 LYS 1 16.041 12.335 -0.641 3 H3 LYS 1 HT3 LYS 1 15.772 13.571 -1.775 4 HA LYS 1 HA LYS 1 16.886 11.027 -2.132 5 HB2 LYS 1 HB2 LYS 1 15.166 12.438 -3.497 6 HB3 LYS 1 HB1 LYS 1 16.592 13.208 -4.227 7 HG2 LYS 1 HG2 LYS 1 17.440 10.908 -4.837 8 HG3 LYS 1 HG1 LYS 1 15.903 10.236 -4.241 9 HD2 LYS 1 HD2 LYS 1 14.676 11.709 -5.853 10 HD3 LYS 1 HD1 LYS 1 16.241 12.260 -6.497 11 HE2 LYS 1 HE2 LYS 1 15.437 9.326 -6.385 12 HE3 LYS 1 HE1 LYS 1 15.133 10.363 -7.798 13 HZ1 LYS 1 HZ1 LYS 1 17.702 10.889 -7.334 14 HZ2 LYS 1 HZ2 LYS 1 17.175 9.654 -8.374 15 HZ3 LYS 1 HZ3 LYS 1 17.641 9.286 -6.783 16 H LYS 2 HN LYS 2 18.742 10.507 -3.480 17 HA LYS 2 HA LYS 2 21.040 10.587 -3.810 18 HB2 LYS 2 HB2 LYS 2 20.684 13.587 -4.137 19 HB3 LYS 2 HB1 LYS 2 21.903 12.534 -4.895 20 HG2 LYS 2 HG2 LYS 2 19.932 11.291 -5.996 21 HG3 LYS 2 HG1 LYS 2 18.915 12.650 -5.457 22 HD2 LYS 2 HD2 LYS 2 20.522 14.215 -6.638 23 HD3 LYS 2 HD1 LYS 2 21.325 12.778 -7.316 24 HE2 LYS 2 HE2 LYS 2 19.737 13.509 -8.969 25 HE3 LYS 2 HE1 LYS 2 19.035 12.065 -8.204 26 HZ1 LYS 2 HZ1 LYS 2 17.624 13.404 -6.883 27 HZ2 LYS 2 HZ2 LYS 2 17.502 14.016 -8.463 28 HZ3 LYS 2 HZ3 LYS 2 18.436 14.834 -7.302 29 H LEU 3 HN LEU 3 22.943 12.578 -3.288 30 HA LEU 3 HA LEU 3 24.315 13.247 -1.545 31 HB2 LEU 3 HB2 LEU 3 21.821 13.517 0.172 32 HB3 LEU 3 HB1 LEU 3 23.340 14.437 0.274 33 HG LEU 3 HG LEU 3 21.278 14.561 -1.971 34 HD11 LEU 3 HD11 LEU 3 20.988 16.877 -1.214 35 HD12 LEU 3 HD12 LEU 3 22.258 16.661 0.014 36 HD13 LEU 3 HD13 LEU 3 20.724 15.768 0.152 37 HD21 LEU 3 HD21 LEU 3 24.066 15.758 -1.682 38 HD22 LEU 3 HD22 LEU 3 22.837 16.479 -2.751 39 HD23 LEU 3 HD23 LEU 3 23.404 14.818 -3.042 40 H LEU 4 HN LEU 4 22.703 10.440 -1.683 41 HA LEU 4 HA LEU 4 22.729 9.278 0.874 42 HB2 LEU 4 HB2 LEU 4 23.059 8.316 -1.944 43 HB3 LEU 4 HB1 LEU 4 23.643 7.190 -0.703 44 HG LEU 4 HG LEU 4 21.418 7.352 0.443 45 HD11 LEU 4 HD11 LEU 4 20.812 9.110 -1.968 46 HD12 LEU 4 HD12 LEU 4 20.657 9.530 -0.246 47 HD13 LEU 4 HD13 LEU 4 19.542 8.352 -0.979 48 HD21 LEU 4 HD21 LEU 4 21.939 5.580 -1.262 49 HD22 LEU 4 HD22 LEU 4 21.223 6.623 -2.515 50 HD23 LEU 4 HD23 LEU 4 20.208 5.991 -1.195 51 HA PRO 5 HA PRO 5 26.919 9.148 2.239 52 HB2 PRO 5 HB2 PRO 5 27.119 6.667 3.454 53 HB3 PRO 5 HB1 PRO 5 26.217 8.044 4.165 54 HG2 PRO 5 HG2 PRO 5 25.175 5.706 2.579 55 HG3 PRO 5 HG1 PRO 5 24.525 6.444 4.077 56 HD2 PRO 5 HD2 PRO 5 23.464 7.010 1.630 57 HD3 PRO 5 HD1 PRO 5 23.553 8.249 2.926 58 H ILE 6 HN ILE 6 27.621 9.160 -0.051 59 HA ILE 6 HA ILE 6 29.347 6.822 -0.579 60 HB ILE 6 HB ILE 6 28.457 6.892 -3.083 61 HG12 ILE 6 HG12 ILE 6 25.998 7.809 -1.522 62 HG13 ILE 6 HG11 ILE 6 26.913 8.811 -2.670 63 HG21 ILE 6 HG21 ILE 6 28.296 4.947 -1.443 64 HG22 ILE 6 HG22 ILE 6 26.988 5.024 -2.639 65 HG23 ILE 6 HG23 ILE 6 26.699 5.570 -0.971 66 HD11 ILE 6 HD1 ILE 6 25.152 7.989 -4.002 67 HD12 ILE 6 HD2 ILE 6 25.172 6.392 -3.223 68 HD13 ILE 6 HD3 ILE 6 26.463 6.842 -4.364 69 H VAL 7 HN VAL 7 28.027 9.908 -1.809 70 HA VAL 7 HA VAL 7 30.102 10.630 -3.511 71 HB VAL 7 HB VAL 7 28.718 12.519 -1.602 72 HG11 VAL 7 HG11 VAL 7 29.035 14.125 -3.532 73 HG12 VAL 7 HG12 VAL 7 30.010 12.878 -4.345 74 HG13 VAL 7 HG13 VAL 7 30.560 13.574 -2.801 75 HG21 VAL 7 HG21 VAL 7 27.067 12.791 -3.511 76 HG22 VAL 7 HG22 VAL 7 27.015 11.196 -2.725 77 HG23 VAL 7 HG23 VAL 7 27.832 11.387 -4.294 78 H ALA 8 HN ALA 8 29.934 10.552 -0.204 79 HA ALA 8 HA ALA 8 32.144 12.185 0.558 80 HB1 ALA 8 HB1 ALA 8 32.107 10.967 2.668 81 HB2 ALA 8 HB2 ALA 8 31.145 9.664 1.927 82 HB3 ALA 8 HB3 ALA 8 30.441 11.287 2.130 83 H ASN 9 HN ASN 9 31.952 8.750 -0.380 84 HA ASN 9 HA ASN 9 34.712 8.163 0.212 85 HB2 ASN 9 HB2 ASN 9 33.006 6.406 -0.072 86 HB3 ASN 9 HB1 ASN 9 32.813 6.861 -1.782 87 HD21 ASN 9 HD21 ASN 9 35.358 5.790 0.578 88 HD22 ASN 9 HD22 ASN 9 36.298 4.909 -0.630 89 H LEU 10 HN LEU 10 33.026 9.586 -2.537 90 HA LEU 10 HA LEU 10 35.287 9.323 -4.366 91 HB2 LEU 10 HB2 LEU 10 32.668 10.857 -4.380 92 HB3 LEU 10 HB1 LEU 10 33.892 11.141 -5.639 93 HG LEU 10 HG LEU 10 33.883 8.708 -6.180 94 HD11 LEU 10 HD11 LEU 10 31.869 7.400 -5.219 95 HD12 LEU 10 HD12 LEU 10 31.785 8.670 -3.974 96 HD13 LEU 10 HD13 LEU 10 33.246 7.664 -4.127 97 HD21 LEU 10 HD21 LEU 10 31.113 9.991 -6.180 98 HD22 LEU 10 HD22 LEU 10 31.661 8.682 -7.254 99 HD23 LEU 10 HD23 LEU 10 32.391 10.302 -7.379 100 H LEU 11 HN LEU 11 34.141 11.731 -2.029 101 HA LEU 11 HA LEU 11 35.592 13.978 -2.893 102 HB2 LEU 11 HB2 LEU 11 34.027 14.126 -1.046 103 HB3 LEU 11 HB1 LEU 11 34.989 12.991 -0.077 104 HG LEU 11 HG LEU 11 36.811 14.596 0.118 105 HD11 LEU 11 HD11 LEU 11 35.187 16.164 -1.923 106 HD12 LEU 11 HD12 LEU 11 36.905 15.700 -1.987 107 HD13 LEU 11 HD13 LEU 11 36.370 16.971 -0.867 108 HD21 LEU 11 HD21 LEU 11 35.640 16.414 1.329 109 HD22 LEU 11 HD22 LEU 11 34.909 14.830 1.685 110 HD23 LEU 11 HD23 LEU 11 34.109 15.947 0.552 111 H LYS 12 HN LYS 12 36.661 11.335 -0.711 112 HA LYS 12 HA LYS 12 39.362 11.431 -1.740 113 HB2 LYS 12 HB2 LYS 12 39.345 13.533 -0.363 114 HB3 LYS 12 HB1 LYS 12 38.995 12.537 1.071 115 HG2 LYS 12 HG2 LYS 12 41.074 11.283 0.759 116 HG3 LYS 12 HG1 LYS 12 41.409 12.159 -0.754 117 HD2 LYS 12 HD2 LYS 12 41.491 14.297 0.518 118 HD3 LYS 12 HD1 LYS 12 41.208 13.396 2.027 119 HE2 LYS 12 HE2 LYS 12 43.614 13.818 1.742 120 HE3 LYS 12 HE1 LYS 12 43.282 12.076 1.604 121 HZ1 LYS 12 HZ1 LYS 12 43.913 12.063 -0.524 122 HZ2 LYS 12 HZ2 LYS 12 44.641 13.564 -0.208 123 HZ3 LYS 12 HZ3 LYS 12 43.089 13.497 -0.897 124 H SER 13 HN SER 13 38.128 10.977 1.597 125 HA SER 13 HA SER 13 37.910 8.106 1.348 126 HB2 SER 13 HB2 SER 13 40.274 7.962 1.268 127 HB3 SER 13 HB1 SER 13 40.480 9.264 2.460 128 HG SER 13 HG SER 13 40.158 6.601 2.838 129 H LEU 14 HN LEU 14 37.465 7.057 3.425 130 HA LEU 14 HA LEU 14 35.737 8.679 5.045 131 HB2 LEU 14 HB2 LEU 14 36.919 5.898 5.336 132 HB3 LEU 14 HB1 LEU 14 35.907 6.602 6.619 133 HG LEU 14 HG LEU 14 34.081 6.961 4.973 134 HD11 LEU 14 HD11 LEU 14 36.121 5.728 3.080 135 HD12 LEU 14 HD12 LEU 14 35.203 7.243 2.889 136 HD13 LEU 14 HD13 LEU 14 34.374 5.679 2.737 137 HD21 LEU 14 HD21 LEU 14 35.114 4.095 4.866 138 HD22 LEU 14 HD22 LEU 14 33.419 4.636 4.794 139 HD23 LEU 14 HD23 LEU 14 34.347 4.812 6.303 140 H LEU 15 HN LEU 15 36.000 8.601 7.555 141 HA LEU 15 HA LEU 15 38.338 10.220 8.146 142 HB2 LEU 15 HB2 LEU 15 36.519 8.945 10.216 143 HB3 LEU 15 HB1 LEU 15 37.392 10.495 10.303 144 HG LEU 15 HG LEU 15 35.027 9.829 8.494 145 HD11 LEU 15 HD11 LEU 15 33.926 11.632 9.813 146 HD12 LEU 15 HD12 LEU 15 35.389 11.776 10.816 147 HD13 LEU 15 HD13 LEU 15 34.433 10.275 10.845 148 HD21 LEU 15 HD21 LEU 15 35.232 12.347 7.957 149 HD22 LEU 15 HD22 LEU 15 36.446 11.281 7.216 150 HD23 LEU 15 HD23 LEU 15 36.870 12.251 8.646 Start of MODEL 13 1 H1 LYS 1 HT1 LYS 1 16.349 8.195 1.427 2 H2 LYS 1 HT2 LYS 1 15.649 9.053 2.716 3 H3 LYS 1 HT3 LYS 1 17.178 8.334 2.898 4 HA LYS 1 HA LYS 1 16.506 10.540 1.059 5 HB2 LYS 1 HB2 LYS 1 18.045 11.826 2.609 6 HB3 LYS 1 HB1 LYS 1 16.484 11.359 3.324 7 HG2 LYS 1 HG2 LYS 1 17.541 9.407 4.401 8 HG3 LYS 1 HG1 LYS 1 19.103 9.833 3.662 9 HD2 LYS 1 HD2 LYS 1 18.995 12.054 4.840 10 HD3 LYS 1 HD1 LYS 1 17.521 11.494 5.669 11 HE2 LYS 1 HE2 LYS 1 20.206 10.054 5.775 12 HE3 LYS 1 HE1 LYS 1 19.611 11.166 7.032 13 HZ1 LYS 1 HZ1 LYS 1 19.004 9.022 7.729 14 HZ2 LYS 1 HZ2 LYS 1 18.458 8.564 6.186 15 HZ3 LYS 1 HZ3 LYS 1 17.576 9.691 7.104 16 H LYS 2 HN LYS 2 18.093 11.162 -0.333 17 HA LYS 2 HA LYS 2 20.188 9.183 -0.875 18 HB2 LYS 2 HB2 LYS 2 19.868 11.924 -2.145 19 HB3 LYS 2 HB1 LYS 2 20.640 10.473 -2.831 20 HG2 LYS 2 HG2 LYS 2 18.419 9.307 -2.749 21 HG3 LYS 2 HG1 LYS 2 17.679 10.830 -2.199 22 HD2 LYS 2 HD2 LYS 2 18.405 11.959 -4.262 23 HD3 LYS 2 HD1 LYS 2 19.217 10.471 -4.809 24 HE2 LYS 2 HE2 LYS 2 16.972 9.297 -4.658 25 HE3 LYS 2 HE1 LYS 2 16.232 10.889 -4.365 26 HZ1 LYS 2 HZ1 LYS 2 17.763 10.031 -6.767 27 HZ2 LYS 2 HZ2 LYS 2 17.288 11.634 -6.472 28 HZ3 LYS 2 HZ3 LYS 2 16.116 10.423 -6.685 29 H LEU 3 HN LEU 3 22.028 11.315 -1.880 30 HA LEU 3 HA LEU 3 24.006 12.241 -1.108 31 HB2 LEU 3 HB2 LEU 3 22.029 13.142 1.017 32 HB3 LEU 3 HB1 LEU 3 23.752 13.559 1.143 33 HG LEU 3 HG LEU 3 23.651 14.589 -1.126 34 HD11 LEU 3 HD11 LEU 3 20.733 13.748 -0.896 35 HD12 LEU 3 HD12 LEU 3 21.883 13.391 -2.209 36 HD13 LEU 3 HD13 LEU 3 21.263 15.043 -1.995 37 HD21 LEU 3 HD21 LEU 3 22.460 16.587 -0.437 38 HD22 LEU 3 HD22 LEU 3 23.197 15.873 1.018 39 HD23 LEU 3 HD23 LEU 3 21.458 15.658 0.704 40 H LEU 4 HN LEU 4 22.710 9.538 0.032 41 HA LEU 4 HA LEU 4 23.835 8.980 2.538 42 HB2 LEU 4 HB2 LEU 4 23.685 7.132 0.126 43 HB3 LEU 4 HB1 LEU 4 23.840 6.611 1.814 44 HG LEU 4 HG LEU 4 21.527 8.381 0.915 45 HD11 LEU 4 HD11 LEU 4 21.637 5.333 0.916 46 HD12 LEU 4 HD12 LEU 4 21.507 6.375 -0.521 47 HD13 LEU 4 HD13 LEU 4 20.176 6.316 0.659 48 HD21 LEU 4 HD21 LEU 4 22.005 6.465 3.247 49 HD22 LEU 4 HD22 LEU 4 20.420 7.176 2.869 50 HD23 LEU 4 HD23 LEU 4 21.776 8.227 3.325 51 HA PRO 5 HA PRO 5 28.288 9.098 2.332 52 HB2 PRO 5 HB2 PRO 5 28.175 6.176 3.143 53 HB3 PRO 5 HB1 PRO 5 29.218 7.492 3.775 54 HG2 PRO 5 HG2 PRO 5 27.067 6.691 5.129 55 HG3 PRO 5 HG1 PRO 5 27.496 8.428 5.027 56 HD2 PRO 5 HD2 PRO 5 25.273 6.942 3.643 57 HD3 PRO 5 HD1 PRO 5 25.359 8.656 4.164 58 H ILE 6 HN ILE 6 28.097 9.275 -0.051 59 HA ILE 6 HA ILE 6 29.485 6.998 -1.357 60 HB ILE 6 HB ILE 6 26.938 8.126 -2.611 61 HG12 ILE 6 HG12 ILE 6 27.398 5.514 -1.093 62 HG13 ILE 6 HG11 ILE 6 26.275 6.817 -0.652 63 HG21 ILE 6 HG21 ILE 6 27.262 6.427 -4.279 64 HG22 ILE 6 HG22 ILE 6 28.510 5.610 -3.311 65 HG23 ILE 6 HG23 ILE 6 28.853 7.184 -4.062 66 HD11 ILE 6 HD1 ILE 6 25.192 6.402 -2.988 67 HD12 ILE 6 HD2 ILE 6 24.881 5.216 -1.697 68 HD13 ILE 6 HD3 ILE 6 26.083 4.861 -2.959 69 H VAL 7 HN VAL 7 27.802 10.121 -1.974 70 HA VAL 7 HA VAL 7 29.441 10.938 -4.106 71 HB VAL 7 HB VAL 7 28.202 12.716 -2.000 72 HG11 VAL 7 HG11 VAL 7 29.729 13.983 -3.378 73 HG12 VAL 7 HG12 VAL 7 28.092 14.325 -3.984 74 HG13 VAL 7 HG13 VAL 7 29.147 13.190 -4.860 75 HG21 VAL 7 HG21 VAL 7 26.213 12.766 -3.399 76 HG22 VAL 7 HG22 VAL 7 26.620 11.059 -3.095 77 HG23 VAL 7 HG23 VAL 7 27.018 11.805 -4.662 78 H ALA 8 HN ALA 8 29.857 10.934 -0.821 79 HA ALA 8 HA ALA 8 32.176 12.705 -0.686 80 HB1 ALA 8 HB1 ALA 8 30.702 12.392 1.249 81 HB2 ALA 8 HB2 ALA 8 32.365 11.891 1.637 82 HB3 ALA 8 HB3 ALA 8 31.120 10.664 1.303 83 H ASN 9 HN ASN 9 31.624 9.185 -0.791 84 HA ASN 9 HA ASN 9 34.231 8.281 -0.273 85 HB2 ASN 9 HB2 ASN 9 32.198 6.850 -0.646 86 HB3 ASN 9 HB1 ASN 9 32.356 7.159 -2.392 87 HD21 ASN 9 HD21 ASN 9 33.135 4.903 -0.041 88 HD22 ASN 9 HD22 ASN 9 34.567 4.202 -0.801 89 H LEU 10 HN LEU 10 32.937 9.902 -3.108 90 HA LEU 10 HA LEU 10 35.016 9.176 -4.946 91 HB2 LEU 10 HB2 LEU 10 32.765 10.280 -5.465 92 HB3 LEU 10 HB1 LEU 10 33.488 11.802 -4.900 93 HG LEU 10 HG LEU 10 35.437 11.189 -6.614 94 HD11 LEU 10 HD11 LEU 10 34.503 10.030 -8.641 95 HD12 LEU 10 HD12 LEU 10 33.061 9.600 -7.694 96 HD13 LEU 10 HD13 LEU 10 34.654 8.952 -7.236 97 HD21 LEU 10 HD21 LEU 10 34.215 12.403 -8.403 98 HD22 LEU 10 HD22 LEU 10 33.952 13.155 -6.811 99 HD23 LEU 10 HD23 LEU 10 32.685 12.136 -7.536 100 H LEU 11 HN LEU 11 34.715 11.713 -2.486 101 HA LEU 11 HA LEU 11 37.063 13.178 -3.330 102 HB2 LEU 11 HB2 LEU 11 35.906 13.080 -0.521 103 HB3 LEU 11 HB1 LEU 11 36.830 14.395 -1.280 104 HG LEU 11 HG LEU 11 34.079 13.427 -2.189 105 HD11 LEU 11 HD11 LEU 11 34.061 14.573 0.022 106 HD12 LEU 11 HD12 LEU 11 33.265 15.548 -1.237 107 HD13 LEU 11 HD13 LEU 11 34.913 15.958 -0.702 108 HD21 LEU 11 HD21 LEU 11 35.181 14.351 -4.096 109 HD22 LEU 11 HD22 LEU 11 35.976 15.618 -3.131 110 HD23 LEU 11 HD23 LEU 11 34.226 15.701 -3.446 111 H LYS 12 HN LYS 12 36.730 11.536 -0.161 112 HA LYS 12 HA LYS 12 38.866 9.679 -0.542 113 HB2 LYS 12 HB2 LYS 12 40.578 10.896 0.939 114 HB3 LYS 12 HB1 LYS 12 40.419 11.486 -0.731 115 HG2 LYS 12 HG2 LYS 12 38.928 13.294 0.021 116 HG3 LYS 12 HG1 LYS 12 39.014 12.689 1.693 117 HD2 LYS 12 HD2 LYS 12 41.432 13.109 1.757 118 HD3 LYS 12 HD1 LYS 12 41.409 13.628 0.054 119 HE2 LYS 12 HE2 LYS 12 41.381 15.613 1.470 120 HE3 LYS 12 HE1 LYS 12 39.789 15.448 0.693 121 HZ1 LYS 12 HZ1 LYS 12 38.885 15.405 2.701 122 HZ2 LYS 12 HZ2 LYS 12 40.411 15.485 3.442 123 HZ3 LYS 12 HZ3 LYS 12 39.726 13.978 3.064 124 H SER 13 HN SER 13 36.206 10.213 0.761 125 HA SER 13 HA SER 13 35.127 9.649 2.737 126 HB2 SER 13 HB2 SER 13 37.663 8.051 3.266 127 HB3 SER 13 HB1 SER 13 36.074 7.799 4.022 128 HG SER 13 HG SER 13 35.475 6.757 2.297 129 H LEU 14 HN LEU 14 35.347 11.904 3.403 130 HA LEU 14 HA LEU 14 35.937 13.543 4.939 131 HB2 LEU 14 HB2 LEU 14 36.237 10.978 6.536 132 HB3 LEU 14 HB1 LEU 14 36.566 12.559 7.282 133 HG LEU 14 HG LEU 14 34.285 13.323 6.627 134 HD11 LEU 14 HD11 LEU 14 34.130 10.491 5.523 135 HD12 LEU 14 HD12 LEU 14 33.769 12.023 4.693 136 HD13 LEU 14 HD13 LEU 14 32.670 11.416 5.951 137 HD21 LEU 14 HD21 LEU 14 34.311 10.685 8.165 138 HD22 LEU 14 HD22 LEU 14 33.069 11.955 8.278 139 HD23 LEU 14 HD23 LEU 14 34.725 12.275 8.850 140 H LEU 15 HN LEU 15 37.795 13.979 6.780 141 HA LEU 15 HA LEU 15 40.197 14.314 5.220 142 HB2 LEU 15 HB2 LEU 15 39.486 14.698 8.148 143 HB3 LEU 15 HB1 LEU 15 41.150 14.945 7.568 144 HG LEU 15 HG LEU 15 40.415 16.660 6.004 145 HD11 LEU 15 HD11 LEU 15 37.631 15.799 6.889 146 HD12 LEU 15 HD12 LEU 15 38.293 15.868 5.237 147 HD13 LEU 15 HD13 LEU 15 37.933 17.372 6.113 148 HD21 LEU 15 HD21 LEU 15 39.631 18.350 7.590 149 HD22 LEU 15 HD22 LEU 15 40.785 17.274 8.415 150 HD23 LEU 15 HD23 LEU 15 39.038 17.086 8.693 Start of MODEL 14 1 H1 LYS 1 HT1 LYS 1 18.264 11.292 -7.145 2 H2 LYS 1 HT2 LYS 1 18.458 12.923 -7.579 3 H3 LYS 1 HT3 LYS 1 17.079 12.426 -6.719 4 HA LYS 1 HA LYS 1 19.422 13.410 -5.706 5 HB2 LYS 1 HB2 LYS 1 17.099 11.938 -4.399 6 HB3 LYS 1 HB1 LYS 1 18.305 12.919 -3.530 7 HG2 LYS 1 HG2 LYS 1 17.653 14.913 -4.785 8 HG3 LYS 1 HG1 LYS 1 16.530 13.958 -5.783 9 HD2 LYS 1 HD2 LYS 1 15.255 13.357 -3.716 10 HD3 LYS 1 HD1 LYS 1 16.339 14.408 -2.772 11 HE2 LYS 1 HE2 LYS 1 15.662 16.352 -4.141 12 HE3 LYS 1 HE1 LYS 1 14.591 15.308 -5.106 13 HZ1 LYS 1 HZ1 LYS 1 13.569 16.603 -3.180 14 HZ2 LYS 1 HZ2 LYS 1 14.341 15.488 -2.158 15 HZ3 LYS 1 HZ3 LYS 1 13.194 14.953 -3.292 16 H LYS 2 HN LYS 2 21.063 12.599 -4.431 17 HA LYS 2 HA LYS 2 21.195 9.804 -3.671 18 HB2 LYS 2 HB2 LYS 2 21.642 9.849 -6.244 19 HB3 LYS 2 HB1 LYS 2 23.205 10.579 -5.815 20 HG2 LYS 2 HG2 LYS 2 23.640 8.624 -4.287 21 HG3 LYS 2 HG1 LYS 2 22.127 7.885 -4.864 22 HD2 LYS 2 HD2 LYS 2 23.052 8.089 -7.229 23 HD3 LYS 2 HD1 LYS 2 24.610 8.547 -6.500 24 HE2 LYS 2 HE2 LYS 2 23.091 5.963 -5.932 25 HE3 LYS 2 HE1 LYS 2 24.510 6.111 -6.995 26 HZ1 LYS 2 HZ1 LYS 2 24.594 7.032 -4.182 27 HZ2 LYS 2 HZ2 LYS 2 25.885 6.626 -5.210 28 HZ3 LYS 2 HZ3 LYS 2 24.882 5.408 -4.579 29 H LEU 3 HN LEU 3 21.409 12.228 -2.314 30 HA LEU 3 HA LEU 3 24.214 12.925 -1.940 31 HB2 LEU 3 HB2 LEU 3 21.964 13.384 0.056 32 HB3 LEU 3 HB1 LEU 3 23.443 14.343 -0.182 33 HG LEU 3 HG LEU 3 21.163 14.067 -2.193 34 HD11 LEU 3 HD11 LEU 3 20.660 15.418 -0.126 35 HD12 LEU 3 HD12 LEU 3 20.645 16.378 -1.624 36 HD13 LEU 3 HD13 LEU 3 22.044 16.463 -0.526 37 HD21 LEU 3 HD21 LEU 3 23.823 15.553 -2.220 38 HD22 LEU 3 HD22 LEU 3 22.461 16.037 -3.259 39 HD23 LEU 3 HD23 LEU 3 23.182 14.421 -3.434 40 H LEU 4 HN LEU 4 22.725 10.102 -1.463 41 HA LEU 4 HA LEU 4 23.118 9.301 1.191 42 HB2 LEU 4 HB2 LEU 4 23.816 7.695 -1.305 43 HB3 LEU 4 HB1 LEU 4 23.440 7.023 0.294 44 HG LEU 4 HG LEU 4 21.501 8.778 -1.277 45 HD11 LEU 4 HD11 LEU 4 20.369 6.690 -1.936 46 HD12 LEU 4 HD12 LEU 4 21.625 5.735 -1.112 47 HD13 LEU 4 HD13 LEU 4 22.042 6.707 -2.543 48 HD21 LEU 4 HD21 LEU 4 21.295 7.025 1.210 49 HD22 LEU 4 HD22 LEU 4 19.858 7.490 0.271 50 HD23 LEU 4 HD23 LEU 4 20.865 8.741 1.029 51 HA PRO 5 HA PRO 5 27.467 9.731 1.949 52 HB2 PRO 5 HB2 PRO 5 27.964 7.599 3.677 53 HB3 PRO 5 HB1 PRO 5 27.173 9.129 4.171 54 HG2 PRO 5 HG2 PRO 5 25.921 6.493 3.430 55 HG3 PRO 5 HG1 PRO 5 25.515 7.611 4.772 56 HD2 PRO 5 HD2 PRO 5 24.040 7.551 2.494 57 HD3 PRO 5 HD1 PRO 5 24.343 9.089 3.364 58 H ILE 6 HN ILE 6 27.715 9.158 -0.388 59 HA ILE 6 HA ILE 6 29.485 6.777 -0.617 60 HB ILE 6 HB ILE 6 27.261 7.224 -2.659 61 HG12 ILE 6 HG12 ILE 6 27.372 5.317 -0.275 62 HG13 ILE 6 HG11 ILE 6 26.173 6.600 -0.565 63 HG21 ILE 6 HG21 ILE 6 27.968 5.108 -3.542 64 HG22 ILE 6 HG22 ILE 6 28.963 4.757 -2.108 65 HG23 ILE 6 HG23 ILE 6 29.462 6.026 -3.251 66 HD11 ILE 6 HD1 ILE 6 25.070 4.616 -1.259 67 HD12 ILE 6 HD2 ILE 6 26.529 3.975 -2.047 68 HD13 ILE 6 HD3 ILE 6 25.647 5.337 -2.780 69 H VAL 7 HN VAL 7 27.956 9.617 -2.192 70 HA VAL 7 HA VAL 7 30.041 9.861 -4.169 71 HB VAL 7 HB VAL 7 28.166 12.010 -3.172 72 HG11 VAL 7 HG11 VAL 7 29.972 12.894 -4.552 73 HG12 VAL 7 HG12 VAL 7 28.484 12.874 -5.528 74 HG13 VAL 7 HG13 VAL 7 29.724 11.619 -5.768 75 HG21 VAL 7 HG21 VAL 7 26.939 9.956 -3.874 76 HG22 VAL 7 HG22 VAL 7 27.782 10.001 -5.441 77 HG23 VAL 7 HG23 VAL 7 26.657 11.307 -4.998 78 H ALA 8 HN ALA 8 29.470 10.906 -1.078 79 HA ALA 8 HA ALA 8 31.611 12.920 -0.961 80 HB1 ALA 8 HB1 ALA 8 30.121 11.644 1.352 81 HB2 ALA 8 HB2 ALA 8 29.476 13.000 0.394 82 HB3 ALA 8 HB3 ALA 8 30.976 13.204 1.331 83 H ASN 9 HN ASN 9 31.188 9.504 -0.278 84 HA ASN 9 HA ASN 9 33.465 9.165 1.438 85 HB2 ASN 9 HB2 ASN 9 32.049 7.258 -0.461 86 HB3 ASN 9 HB1 ASN 9 33.328 6.762 0.675 87 HD21 ASN 9 HD21 ASN 9 31.108 9.379 1.570 88 HD22 ASN 9 HD22 ASN 9 30.207 8.440 2.764 89 H LEU 10 HN LEU 10 33.048 9.082 -2.102 90 HA LEU 10 HA LEU 10 35.728 8.193 -2.663 91 HB2 LEU 10 HB2 LEU 10 33.716 8.167 -4.236 92 HB3 LEU 10 HB1 LEU 10 33.965 9.913 -4.440 93 HG LEU 10 HG LEU 10 36.453 9.253 -5.033 94 HD11 LEU 10 HD11 LEU 10 34.974 6.609 -5.428 95 HD12 LEU 10 HD12 LEU 10 36.431 6.897 -4.449 96 HD13 LEU 10 HD13 LEU 10 36.516 7.001 -6.219 97 HD21 LEU 10 HD21 LEU 10 34.143 8.588 -6.915 98 HD22 LEU 10 HD22 LEU 10 35.815 8.948 -7.410 99 HD23 LEU 10 HD23 LEU 10 34.824 10.208 -6.637 100 H LEU 11 HN LEU 11 34.276 11.322 -1.975 101 HA LEU 11 HA LEU 11 36.303 13.008 -3.029 102 HB2 LEU 11 HB2 LEU 11 34.052 13.695 -2.059 103 HB3 LEU 11 HB1 LEU 11 34.760 13.454 -0.448 104 HG LEU 11 HG LEU 11 36.659 15.080 -1.282 105 HD11 LEU 11 HD11 LEU 11 35.716 16.800 -2.910 106 HD12 LEU 11 HD12 LEU 11 34.425 15.639 -3.288 107 HD13 LEU 11 HD13 LEU 11 36.120 15.233 -3.640 108 HD21 LEU 11 HD21 LEU 11 33.828 16.105 -0.781 109 HD22 LEU 11 HD22 LEU 11 35.327 17.039 -0.565 110 HD23 LEU 11 HD23 LEU 11 34.998 15.631 0.473 111 H LYS 12 HN LYS 12 35.893 12.171 0.443 112 HA LYS 12 HA LYS 12 38.517 12.989 1.182 113 HB2 LYS 12 HB2 LYS 12 36.516 12.506 2.705 114 HB3 LYS 12 HB1 LYS 12 36.912 10.784 2.525 115 HG2 LYS 12 HG2 LYS 12 38.117 11.297 4.471 116 HG3 LYS 12 HG1 LYS 12 39.364 11.576 3.235 117 HD2 LYS 12 HD2 LYS 12 38.868 13.999 3.260 118 HD3 LYS 12 HD1 LYS 12 37.565 13.733 4.442 119 HE2 LYS 12 HE2 LYS 12 39.632 14.484 5.570 120 HE3 LYS 12 HE1 LYS 12 39.216 12.823 6.052 121 HZ1 LYS 12 HZ1 LYS 12 41.622 13.592 5.126 122 HZ2 LYS 12 HZ2 LYS 12 40.896 13.018 3.701 123 HZ3 LYS 12 HZ3 LYS 12 41.033 12.003 5.059 124 H SER 13 HN SER 13 37.306 9.608 0.962 125 HA SER 13 HA SER 13 39.938 8.466 0.991 126 HB2 SER 13 HB2 SER 13 37.462 7.229 -0.258 127 HB3 SER 13 HB1 SER 13 38.862 6.394 0.452 128 HG SER 13 HG SER 13 37.648 8.210 2.129 129 H LEU 14 HN LEU 14 41.472 8.565 -0.500 130 HA LEU 14 HA LEU 14 41.110 9.676 -3.088 131 HB2 LEU 14 HB2 LEU 14 43.259 7.640 -2.404 132 HB3 LEU 14 HB1 LEU 14 43.351 9.009 -3.536 133 HG LEU 14 HG LEU 14 43.178 9.147 -0.494 134 HD11 LEU 14 HD11 LEU 14 45.401 8.618 -1.549 135 HD12 LEU 14 HD12 LEU 14 45.383 10.168 -0.672 136 HD13 LEU 14 HD13 LEU 14 45.290 10.148 -2.450 137 HD21 LEU 14 HD21 LEU 14 43.459 11.675 -0.973 138 HD22 LEU 14 HD22 LEU 14 41.849 10.984 -1.272 139 HD23 LEU 14 HD23 LEU 14 42.947 11.303 -2.636 140 H LEU 15 HN LEU 15 41.316 6.250 -2.051 141 HA LEU 15 HA LEU 15 41.053 5.107 -4.636 142 HB2 LEU 15 HB2 LEU 15 41.711 3.733 -2.771 143 HB3 LEU 15 HB1 LEU 15 40.226 4.124 -1.878 144 HG LEU 15 HG LEU 15 38.864 2.856 -3.431 145 HD11 LEU 15 HD11 LEU 15 39.807 3.340 -5.571 146 HD12 LEU 15 HD12 LEU 15 40.086 1.598 -5.341 147 HD13 LEU 15 HD13 LEU 15 41.416 2.754 -5.087 148 HD21 LEU 15 HD21 LEU 15 41.418 1.272 -2.912 149 HD22 LEU 15 HD22 LEU 15 39.773 0.619 -3.105 150 HD23 LEU 15 HD23 LEU 15 40.177 1.605 -1.679 Start of MODEL 15 1 H1 LYS 1 HT1 LYS 1 16.705 12.693 -3.821 2 H2 LYS 1 HT2 LYS 1 16.153 13.144 -2.278 3 H3 LYS 1 HT3 LYS 1 16.693 11.558 -2.563 4 HA LYS 1 HA LYS 1 18.550 13.701 -3.135 5 HB2 LYS 1 HB2 LYS 1 19.222 13.712 -0.693 6 HB3 LYS 1 HB1 LYS 1 17.677 14.524 -1.045 7 HG2 LYS 1 HG2 LYS 1 16.422 12.549 -0.338 8 HG3 LYS 1 HG1 LYS 1 17.933 11.635 -0.103 9 HD2 LYS 1 HD2 LYS 1 18.637 13.264 1.638 10 HD3 LYS 1 HD1 LYS 1 17.107 14.146 1.420 11 HE2 LYS 1 HE2 LYS 1 17.244 11.195 2.159 12 HE3 LYS 1 HE1 LYS 1 17.126 12.501 3.362 13 HZ1 LYS 1 HZ1 LYS 1 15.182 13.111 1.562 14 HZ2 LYS 1 HZ2 LYS 1 14.939 12.329 3.051 15 HZ3 LYS 1 HZ3 LYS 1 15.104 11.418 1.626 16 H LYS 2 HN LYS 2 20.708 12.949 -2.000 17 HA LYS 2 HA LYS 2 21.038 10.107 -1.584 18 HB2 LYS 2 HB2 LYS 2 22.279 9.547 -3.612 19 HB3 LYS 2 HB1 LYS 2 20.638 10.084 -4.046 20 HG2 LYS 2 HG2 LYS 2 21.645 12.434 -4.349 21 HG3 LYS 2 HG1 LYS 2 23.240 11.652 -4.251 22 HD2 LYS 2 HD2 LYS 2 21.041 11.055 -6.280 23 HD3 LYS 2 HD1 LYS 2 22.591 11.865 -6.602 24 HE2 LYS 2 HE2 LYS 2 23.000 9.638 -7.285 25 HE3 LYS 2 HE1 LYS 2 23.670 9.673 -5.636 26 HZ1 LYS 2 HZ1 LYS 2 22.134 8.239 -4.931 27 HZ2 LYS 2 HZ2 LYS 2 21.796 7.929 -6.566 28 HZ3 LYS 2 HZ3 LYS 2 20.862 9.055 -5.701 29 H LEU 3 HN LEU 3 21.754 12.779 -0.504 30 HA LEU 3 HA LEU 3 24.597 13.144 -0.928 31 HB2 LEU 3 HB2 LEU 3 23.056 13.943 1.566 32 HB3 LEU 3 HB1 LEU 3 24.485 14.725 0.849 33 HG LEU 3 HG LEU 3 21.680 14.615 -0.345 34 HD11 LEU 3 HD11 LEU 3 23.381 16.942 0.655 35 HD12 LEU 3 HD12 LEU 3 22.018 16.216 1.540 36 HD13 LEU 3 HD13 LEU 3 21.733 17.052 -0.005 37 HD21 LEU 3 HD21 LEU 3 23.176 14.518 -2.207 38 HD22 LEU 3 HD22 LEU 3 24.343 15.618 -1.434 39 HD23 LEU 3 HD23 LEU 3 22.789 16.244 -2.034 40 H LEU 4 HN LEU 4 23.002 10.549 0.218 41 HA LEU 4 HA LEU 4 24.321 9.957 2.687 42 HB2 LEU 4 HB2 LEU 4 23.485 7.899 0.612 43 HB3 LEU 4 HB1 LEU 4 23.523 7.722 2.381 44 HG LEU 4 HG LEU 4 21.648 9.503 0.765 45 HD11 LEU 4 HD11 LEU 4 21.143 7.098 2.573 46 HD12 LEU 4 HD12 LEU 4 21.112 7.072 0.793 47 HD13 LEU 4 HD13 LEU 4 19.907 8.026 1.691 48 HD21 LEU 4 HD21 LEU 4 22.103 10.732 2.764 49 HD22 LEU 4 HD22 LEU 4 22.163 9.256 3.758 50 HD23 LEU 4 HD23 LEU 4 20.607 9.841 3.120 51 HA PRO 5 HA PRO 5 28.608 9.102 1.849 52 HB2 PRO 5 HB2 PRO 5 27.905 6.295 2.765 53 HB3 PRO 5 HB1 PRO 5 29.350 7.285 3.154 54 HG2 PRO 5 HG2 PRO 5 27.311 7.093 4.875 55 HG3 PRO 5 HG1 PRO 5 28.188 8.637 4.644 56 HD2 PRO 5 HD2 PRO 5 25.422 7.897 3.767 57 HD3 PRO 5 HD1 PRO 5 26.130 9.519 4.063 58 H ILE 6 HN ILE 6 28.151 9.339 -0.474 59 HA ILE 6 HA ILE 6 28.599 6.752 -1.917 60 HB ILE 6 HB ILE 6 26.560 8.876 -2.750 61 HG12 ILE 6 HG12 ILE 6 25.900 7.107 -0.939 62 HG13 ILE 6 HG11 ILE 6 24.831 7.318 -2.331 63 HG21 ILE 6 HG21 ILE 6 27.647 8.097 -4.735 64 HG22 ILE 6 HG22 ILE 6 26.109 7.214 -4.638 65 HG23 ILE 6 HG23 ILE 6 27.628 6.409 -4.173 66 HD11 ILE 6 HD1 ILE 6 25.342 4.898 -1.659 67 HD12 ILE 6 HD2 ILE 6 26.992 5.168 -2.251 68 HD13 ILE 6 HD3 ILE 6 25.619 5.299 -3.367 69 H VAL 7 HN VAL 7 27.916 10.102 -2.960 70 HA VAL 7 HA VAL 7 30.246 10.111 -4.668 71 HB VAL 7 HB VAL 7 28.535 12.441 -3.785 72 HG11 VAL 7 HG11 VAL 7 29.309 13.357 -6.040 73 HG12 VAL 7 HG12 VAL 7 30.466 12.006 -6.104 74 HG13 VAL 7 HG13 VAL 7 30.583 13.218 -4.806 75 HG21 VAL 7 HG21 VAL 7 28.272 10.701 -6.281 76 HG22 VAL 7 HG22 VAL 7 27.210 12.049 -5.804 77 HG23 VAL 7 HG23 VAL 7 27.239 10.554 -4.838 78 H ALA 8 HN ALA 8 29.420 11.095 -1.615 79 HA ALA 8 HA ALA 8 31.716 12.836 -1.105 80 HB1 ALA 8 HB1 ALA 8 29.864 11.506 0.901 81 HB2 ALA 8 HB2 ALA 8 29.505 13.036 0.064 82 HB3 ALA 8 HB3 ALA 8 30.898 12.929 1.166 83 H ASN 9 HN ASN 9 31.039 9.431 -0.968 84 HA ASN 9 HA ASN 9 33.043 8.708 0.981 85 HB2 ASN 9 HB2 ASN 9 31.133 7.255 0.217 86 HB3 ASN 9 HB1 ASN 9 31.988 7.034 -1.329 87 HD21 ASN 9 HD21 ASN 9 31.937 6.153 2.099 88 HD22 ASN 9 HD22 ASN 9 33.266 4.993 2.004 89 H LEU 10 HN LEU 10 33.029 8.803 -2.606 90 HA LEU 10 HA LEU 10 35.810 7.969 -2.795 91 HB2 LEU 10 HB2 LEU 10 34.232 9.470 -4.912 92 HB3 LEU 10 HB1 LEU 10 35.571 8.320 -5.139 93 HG LEU 10 HG LEU 10 32.800 7.653 -4.043 94 HD11 LEU 10 HD11 LEU 10 32.835 8.096 -6.475 95 HD12 LEU 10 HD12 LEU 10 32.589 6.363 -6.155 96 HD13 LEU 10 HD13 LEU 10 34.186 6.954 -6.671 97 HD21 LEU 10 HD21 LEU 10 34.324 6.155 -2.974 98 HD22 LEU 10 HD22 LEU 10 35.342 6.016 -4.428 99 HD23 LEU 10 HD23 LEU 10 33.736 5.251 -4.388 100 H LEU 11 HN LEU 11 34.221 10.947 -2.096 101 HA LEU 11 HA LEU 11 36.276 12.703 -3.161 102 HB2 LEU 11 HB2 LEU 11 34.058 13.585 -2.799 103 HB3 LEU 11 HB1 LEU 11 34.073 13.080 -1.096 104 HG LEU 11 HG LEU 11 35.762 14.725 -0.539 105 HD11 LEU 11 HD11 LEU 11 35.966 15.065 -3.558 106 HD12 LEU 11 HD12 LEU 11 37.262 14.697 -2.393 107 HD13 LEU 11 HD13 LEU 11 36.541 16.321 -2.435 108 HD21 LEU 11 HD21 LEU 11 33.352 15.469 -0.838 109 HD22 LEU 11 HD22 LEU 11 33.804 16.063 -2.454 110 HD23 LEU 11 HD23 LEU 11 34.554 16.771 -1.002 111 H LYS 12 HN LYS 12 35.336 12.123 0.259 112 HA LYS 12 HA LYS 12 37.679 13.169 1.412 113 HB2 LYS 12 HB2 LYS 12 35.978 10.854 2.420 114 HB3 LYS 12 HB1 LYS 12 37.096 11.833 3.399 115 HG2 LYS 12 HG2 LYS 12 35.773 13.881 2.729 116 HG3 LYS 12 HG1 LYS 12 34.591 12.797 1.956 117 HD2 LYS 12 HD2 LYS 12 34.283 11.626 4.150 118 HD3 LYS 12 HD1 LYS 12 35.385 12.806 4.902 119 HE2 LYS 12 HE2 LYS 12 32.778 13.481 3.469 120 HE3 LYS 12 HE1 LYS 12 33.012 13.454 5.233 121 HZ1 LYS 12 HZ1 LYS 12 34.704 15.167 4.992 122 HZ2 LYS 12 HZ2 LYS 12 33.225 15.692 4.343 123 HZ3 LYS 12 HZ3 LYS 12 34.481 15.194 3.311 124 H SER 13 HN SER 13 36.954 9.680 0.883 125 HA SER 13 HA SER 13 38.399 7.879 0.655 126 HB2 SER 13 HB2 SER 13 38.963 9.101 -1.441 127 HB3 SER 13 HB1 SER 13 40.247 9.966 -0.569 128 HG SER 13 HG SER 13 41.362 8.276 -1.214 129 H LEU 14 HN LEU 14 41.029 7.402 0.884 130 HA LEU 14 HA LEU 14 41.463 7.652 3.722 131 HB2 LEU 14 HB2 LEU 14 43.171 6.733 1.384 132 HB3 LEU 14 HB1 LEU 14 43.838 6.817 3.031 133 HG LEU 14 HG LEU 14 41.994 5.342 3.834 134 HD11 LEU 14 HD11 LEU 14 41.226 5.443 0.891 135 HD12 LEU 14 HD12 LEU 14 40.202 5.747 2.316 136 HD13 LEU 14 HD13 LEU 14 40.733 4.092 1.941 137 HD21 LEU 14 HD21 LEU 14 44.168 4.385 3.125 138 HD22 LEU 14 HD22 LEU 14 43.564 4.249 1.455 139 HD23 LEU 14 HD23 LEU 14 42.830 3.273 2.750 140 H LEU 15 HN LEU 15 43.709 8.773 1.157 141 HA LEU 15 HA LEU 15 44.844 10.773 2.928 142 HB2 LEU 15 HB2 LEU 15 45.113 10.758 -0.096 143 HB3 LEU 15 HB1 LEU 15 46.287 11.306 1.125 144 HG LEU 15 HG LEU 15 45.410 8.432 0.596 145 HD11 LEU 15 HD11 LEU 15 48.073 9.888 0.274 146 HD12 LEU 15 HD12 LEU 15 47.010 9.344 -1.046 147 HD13 LEU 15 HD13 LEU 15 47.812 8.149 0.003 148 HD21 LEU 15 HD21 LEU 15 45.750 8.594 2.965 149 HD22 LEU 15 HD22 LEU 15 47.150 9.675 2.768 150 HD23 LEU 15 HD23 LEU 15 47.278 7.958 2.314 Start of MODEL 16 1 H1 LYS 1 HT1 LYS 1 15.861 11.452 -1.840 2 H2 LYS 1 HT2 LYS 1 15.372 9.875 -2.241 3 H3 LYS 1 HT3 LYS 1 15.382 11.093 -3.426 4 HA LYS 1 HA LYS 1 17.289 9.329 -3.194 5 HB2 LYS 1 HB2 LYS 1 18.775 11.046 -4.283 6 HB3 LYS 1 HB1 LYS 1 17.150 10.933 -5.002 7 HG2 LYS 1 HG2 LYS 1 16.414 12.875 -3.650 8 HG3 LYS 1 HG1 LYS 1 18.039 12.991 -2.931 9 HD2 LYS 1 HD2 LYS 1 19.024 13.420 -5.136 10 HD3 LYS 1 HD1 LYS 1 17.437 13.206 -5.915 11 HE2 LYS 1 HE2 LYS 1 16.562 15.117 -4.527 12 HE3 LYS 1 HE1 LYS 1 18.216 15.378 -3.922 13 HZ1 LYS 1 HZ1 LYS 1 18.960 16.015 -6.001 14 HZ2 LYS 1 HZ2 LYS 1 17.406 16.700 -5.962 15 HZ3 LYS 1 HZ3 LYS 1 17.684 15.264 -6.826 16 H LYS 2 HN LYS 2 19.371 9.108 -2.342 17 HA LYS 2 HA LYS 2 20.539 10.993 -0.507 18 HB2 LYS 2 HB2 LYS 2 20.256 9.574 1.580 19 HB3 LYS 2 HB1 LYS 2 18.782 10.417 1.041 20 HG2 LYS 2 HG2 LYS 2 18.023 8.352 -0.108 21 HG3 LYS 2 HG1 LYS 2 19.489 7.509 0.449 22 HD2 LYS 2 HD2 LYS 2 18.840 7.823 2.784 23 HD3 LYS 2 HD1 LYS 2 17.439 8.805 2.296 24 HE2 LYS 2 HE2 LYS 2 16.540 6.833 1.039 25 HE3 LYS 2 HE1 LYS 2 17.899 5.859 1.654 26 HZ1 LYS 2 HZ1 LYS 2 17.110 5.972 3.806 27 HZ2 LYS 2 HZ2 LYS 2 15.665 5.858 2.921 28 HZ3 LYS 2 HZ3 LYS 2 16.178 7.360 3.527 29 H LEU 3 HN LEU 3 21.488 9.700 -2.680 30 HA LEU 3 HA LEU 3 23.100 7.389 -1.717 31 HB2 LEU 3 HB2 LEU 3 22.716 8.804 -4.384 32 HB3 LEU 3 HB1 LEU 3 24.057 7.662 -4.133 33 HG LEU 3 HG LEU 3 22.499 5.870 -3.570 34 HD11 LEU 3 HD11 LEU 3 20.747 6.996 -2.391 35 HD12 LEU 3 HD12 LEU 3 19.985 6.368 -3.870 36 HD13 LEU 3 HD13 LEU 3 20.423 8.090 -3.756 37 HD21 LEU 3 HD21 LEU 3 21.329 5.664 -5.740 38 HD22 LEU 3 HD22 LEU 3 22.972 6.308 -5.972 39 HD23 LEU 3 HD23 LEU 3 21.569 7.400 -6.043 40 H LEU 4 HN LEU 4 23.148 10.361 -0.827 41 HA LEU 4 HA LEU 4 25.693 11.399 -1.722 42 HB2 LEU 4 HB2 LEU 4 23.789 12.038 0.538 43 HB3 LEU 4 HB1 LEU 4 25.409 12.770 0.541 44 HG LEU 4 HG LEU 4 25.012 13.687 -1.717 45 HD11 LEU 4 HD11 LEU 4 23.554 12.026 -2.681 46 HD12 LEU 4 HD12 LEU 4 22.623 13.540 -2.609 47 HD13 LEU 4 HD13 LEU 4 22.338 12.260 -1.404 48 HD21 LEU 4 HD21 LEU 4 24.352 15.037 0.240 49 HD22 LEU 4 HD22 LEU 4 22.756 14.249 0.263 50 HD23 LEU 4 HD23 LEU 4 23.210 15.301 -1.099 51 HA PRO 5 HA PRO 5 27.242 9.439 2.532 52 HB2 PRO 5 HB2 PRO 5 25.945 6.743 2.130 53 HB3 PRO 5 HB1 PRO 5 26.259 7.642 3.650 54 HG2 PRO 5 HG2 PRO 5 23.797 7.513 2.656 55 HG3 PRO 5 HG1 PRO 5 24.416 9.046 3.347 56 HD2 PRO 5 HD2 PRO 5 24.159 8.247 0.440 57 HD3 PRO 5 HD1 PRO 5 23.769 9.815 1.219 58 H ILE 6 HN ILE 6 26.604 7.788 -0.527 59 HA ILE 6 HA ILE 6 29.128 6.276 -0.464 60 HB ILE 6 HB ILE 6 27.356 6.799 -2.890 61 HG12 ILE 6 HG12 ILE 6 27.084 4.665 -0.721 62 HG13 ILE 6 HG11 ILE 6 25.941 5.993 -1.031 63 HG21 ILE 6 HG21 ILE 6 29.015 4.349 -2.161 64 HG22 ILE 6 HG22 ILE 6 29.688 5.717 -3.081 65 HG23 ILE 6 HG23 ILE 6 28.330 4.782 -3.745 66 HD11 ILE 6 HD1 ILE 6 24.979 4.132 -2.149 67 HD12 ILE 6 HD2 ILE 6 26.551 3.577 -2.768 68 HD13 ILE 6 HD3 ILE 6 25.791 5.036 -3.449 69 H VAL 7 HN VAL 7 27.781 8.970 -2.432 70 HA VAL 7 HA VAL 7 30.122 9.534 -3.876 71 HB VAL 7 HB VAL 7 28.086 11.531 -2.874 72 HG11 VAL 7 HG11 VAL 7 30.115 11.573 -5.148 73 HG12 VAL 7 HG12 VAL 7 30.001 12.693 -3.769 74 HG13 VAL 7 HG13 VAL 7 28.757 12.717 -5.042 75 HG21 VAL 7 HG21 VAL 7 28.149 9.843 -5.420 76 HG22 VAL 7 HG22 VAL 7 26.967 11.128 -5.076 77 HG23 VAL 7 HG23 VAL 7 27.006 9.662 -4.067 78 H ALA 8 HN ALA 8 29.174 10.218 -0.777 79 HA ALA 8 HA ALA 8 31.071 12.289 -0.106 80 HB1 ALA 8 HB1 ALA 8 29.081 11.942 1.244 81 HB2 ALA 8 HB2 ALA 8 30.526 11.683 2.251 82 HB3 ALA 8 HB3 ALA 8 29.600 10.288 1.645 83 H ASN 9 HN ASN 9 31.180 8.761 -0.145 84 HA ASN 9 HA ASN 9 33.560 8.477 1.449 85 HB2 ASN 9 HB2 ASN 9 31.997 6.614 0.908 86 HB3 ASN 9 HB1 ASN 9 32.534 6.686 -0.788 87 HD21 ASN 9 HD21 ASN 9 32.958 4.778 1.807 88 HD22 ASN 9 HD22 ASN 9 34.670 4.374 1.636 89 H LEU 10 HN LEU 10 32.968 9.065 -2.001 90 HA LEU 10 HA LEU 10 35.744 8.676 -2.778 91 HB2 LEU 10 HB2 LEU 10 33.694 10.351 -4.264 92 HB3 LEU 10 HB1 LEU 10 35.064 9.431 -4.927 93 HG LEU 10 HG LEU 10 32.573 8.262 -3.605 94 HD11 LEU 10 HD11 LEU 10 32.050 7.436 -5.838 95 HD12 LEU 10 HD12 LEU 10 33.584 8.075 -6.477 96 HD13 LEU 10 HD13 LEU 10 32.311 9.194 -5.933 97 HD21 LEU 10 HD21 LEU 10 34.375 6.784 -3.065 98 HD22 LEU 10 HD22 LEU 10 35.148 7.010 -4.652 99 HD23 LEU 10 HD23 LEU 10 33.636 6.080 -4.520 100 H LEU 11 HN LEU 11 33.897 11.277 -1.378 101 HA LEU 11 HA LEU 11 35.396 13.514 -2.247 102 HB2 LEU 11 HB2 LEU 11 33.260 13.495 -0.856 103 HB3 LEU 11 HB1 LEU 11 34.275 13.109 0.549 104 HG LEU 11 HG LEU 11 35.667 15.231 -0.148 105 HD11 LEU 11 HD11 LEU 11 34.146 16.989 -1.207 106 HD12 LEU 11 HD12 LEU 11 33.057 15.663 -1.672 107 HD13 LEU 11 HD13 LEU 11 34.714 15.723 -2.315 108 HD21 LEU 11 HD21 LEU 11 34.139 16.687 1.155 109 HD22 LEU 11 HD22 LEU 11 34.273 15.072 1.891 110 HD23 LEU 11 HD23 LEU 11 32.829 15.500 0.943 111 H LYS 12 HN LYS 12 35.830 11.592 0.763 112 HA LYS 12 HA LYS 12 38.352 12.893 1.381 113 HB2 LYS 12 HB2 LYS 12 37.447 10.189 2.429 114 HB3 LYS 12 HB1 LYS 12 38.466 11.408 3.233 115 HG2 LYS 12 HG2 LYS 12 35.502 11.682 2.561 116 HG3 LYS 12 HG1 LYS 12 36.204 11.463 4.180 117 HD2 LYS 12 HD2 LYS 12 37.548 13.627 3.704 118 HD3 LYS 12 HD1 LYS 12 36.436 13.872 2.336 119 HE2 LYS 12 HE2 LYS 12 34.511 13.632 3.973 120 HE3 LYS 12 HE1 LYS 12 35.712 13.653 5.287 121 HZ1 LYS 12 HZ1 LYS 12 34.744 15.860 4.766 122 HZ2 LYS 12 HZ2 LYS 12 35.449 15.783 3.222 123 HZ3 LYS 12 HZ3 LYS 12 36.432 15.814 4.607 124 H SER 13 HN SER 13 37.368 10.097 -0.497 125 HA SER 13 HA SER 13 38.602 8.595 -1.759 126 HB2 SER 13 HB2 SER 13 40.422 9.476 -3.001 127 HB3 SER 13 HB1 SER 13 39.380 10.878 -2.667 128 HG SER 13 HG SER 13 41.916 10.263 -1.753 129 H LEU 14 HN LEU 14 40.630 7.271 -1.872 130 HA LEU 14 HA LEU 14 41.285 6.371 0.801 131 HB2 LEU 14 HB2 LEU 14 41.194 4.757 -0.987 132 HB3 LEU 14 HB1 LEU 14 42.360 5.677 -1.960 133 HG LEU 14 HG LEU 14 44.167 5.162 -0.427 134 HD11 LEU 14 HD11 LEU 14 41.929 4.099 1.343 135 HD12 LEU 14 HD12 LEU 14 43.170 5.314 1.737 136 HD13 LEU 14 HD13 LEU 14 43.623 3.603 1.575 137 HD21 LEU 14 HD21 LEU 14 42.496 2.633 -0.760 138 HD22 LEU 14 HD22 LEU 14 44.270 2.748 -0.662 139 HD23 LEU 14 HD23 LEU 14 43.412 3.397 -2.080 140 H LEU 15 HN LEU 15 42.487 7.609 2.111 141 HA LEU 15 HA LEU 15 44.479 9.466 1.161 142 HB2 LEU 15 HB2 LEU 15 44.375 8.256 3.946 143 HB3 LEU 15 HB1 LEU 15 44.962 9.864 3.460 144 HG LEU 15 HG LEU 15 42.076 8.877 3.350 145 HD11 LEU 15 HD11 LEU 15 43.034 9.468 5.612 146 HD12 LEU 15 HD12 LEU 15 41.685 10.513 5.106 147 HD13 LEU 15 HD13 LEU 15 43.361 11.103 4.991 148 HD21 LEU 15 HD21 LEU 15 42.327 10.354 1.487 149 HD22 LEU 15 HD22 LEU 15 43.424 11.434 2.381 150 HD23 LEU 15 HD23 LEU 15 41.691 11.384 2.789 Start of MODEL 17 1 H1 LYS 1 HT1 LYS 1 17.569 6.421 -1.634 2 H2 LYS 1 HT2 LYS 1 17.265 5.589 -0.184 3 H3 LYS 1 HT3 LYS 1 18.840 5.647 -0.821 4 HA LYS 1 HA LYS 1 18.219 8.243 -0.629 5 HB2 LYS 1 HB2 LYS 1 17.036 6.731 1.734 6 HB3 LYS 1 HB1 LYS 1 17.352 8.484 1.705 7 HG2 LYS 1 HG2 LYS 1 15.823 8.773 -0.184 8 HG3 LYS 1 HG1 LYS 1 15.571 7.013 -0.286 9 HD2 LYS 1 HD2 LYS 1 14.679 7.060 2.067 10 HD3 LYS 1 HD1 LYS 1 14.801 8.837 2.034 11 HE2 LYS 1 HE2 LYS 1 13.304 8.871 0.031 12 HE3 LYS 1 HE1 LYS 1 13.130 7.104 0.160 13 HZ1 LYS 1 HZ1 LYS 1 11.771 9.131 1.591 14 HZ2 LYS 1 HZ2 LYS 1 12.632 8.157 2.685 15 HZ3 LYS 1 HZ3 LYS 1 11.513 7.454 1.617 16 H LYS 2 HN LYS 2 19.405 9.267 1.310 17 HA LYS 2 HA LYS 2 21.433 9.489 2.415 18 HB2 LYS 2 HB2 LYS 2 21.243 6.494 2.906 19 HB3 LYS 2 HB1 LYS 2 22.097 7.710 3.888 20 HG2 LYS 2 HG2 LYS 2 19.922 8.815 4.385 21 HG3 LYS 2 HG1 LYS 2 19.082 7.558 3.446 22 HD2 LYS 2 HD2 LYS 2 19.905 5.821 4.972 23 HD3 LYS 2 HD1 LYS 2 20.840 7.031 5.882 24 HE2 LYS 2 HE2 LYS 2 18.738 6.576 7.059 25 HE3 LYS 2 HE1 LYS 2 18.706 8.233 6.407 26 HZ1 LYS 2 HZ1 LYS 2 17.705 6.763 4.370 27 HZ2 LYS 2 HZ2 LYS 2 16.772 7.603 5.514 28 HZ3 LYS 2 HZ3 LYS 2 17.083 5.945 5.718 29 H LEU 3 HN LEU 3 21.799 9.513 -0.193 30 HA LEU 3 HA LEU 3 23.790 7.476 -0.990 31 HB2 LEU 3 HB2 LEU 3 22.625 9.974 -2.279 32 HB3 LEU 3 HB1 LEU 3 23.994 9.097 -3.004 33 HG LEU 3 HG LEU 3 22.672 7.054 -3.169 34 HD11 LEU 3 HD11 LEU 3 20.632 8.660 -1.585 35 HD12 LEU 3 HD12 LEU 3 21.312 7.056 -1.217 36 HD13 LEU 3 HD13 LEU 3 20.157 7.245 -2.555 37 HD21 LEU 3 HD21 LEU 3 22.436 8.892 -4.912 38 HD22 LEU 3 HD22 LEU 3 20.936 9.385 -4.088 39 HD23 LEU 3 HD23 LEU 3 21.058 7.769 -4.826 40 H LEU 4 HN LEU 4 23.809 9.863 1.185 41 HA LEU 4 HA LEU 4 25.929 11.600 0.573 42 HB2 LEU 4 HB2 LEU 4 24.815 10.447 3.124 43 HB3 LEU 4 HB1 LEU 4 26.349 11.339 3.220 44 HG LEU 4 HG LEU 4 25.282 13.286 2.116 45 HD11 LEU 4 HD11 LEU 4 23.626 12.192 0.730 46 HD12 LEU 4 HD12 LEU 4 22.750 13.221 1.890 47 HD13 LEU 4 HD13 LEU 4 22.841 11.462 2.150 48 HD21 LEU 4 HD21 LEU 4 23.861 13.951 3.988 49 HD22 LEU 4 HD22 LEU 4 25.218 12.986 4.619 50 HD23 LEU 4 HD23 LEU 4 23.606 12.251 4.447 51 HA PRO 5 HA PRO 5 29.190 8.540 2.565 52 HB2 PRO 5 HB2 PRO 5 28.414 5.816 2.231 53 HB3 PRO 5 HB1 PRO 5 28.431 6.732 3.771 54 HG2 PRO 5 HG2 PRO 5 26.146 6.188 1.900 55 HG3 PRO 5 HG1 PRO 5 26.170 6.244 3.691 56 HD2 PRO 5 HD2 PRO 5 25.160 8.291 2.275 57 HD3 PRO 5 HD1 PRO 5 26.135 8.603 3.747 58 H ILE 6 HN ILE 6 27.139 7.852 -0.221 59 HA ILE 6 HA ILE 6 29.233 6.538 -1.763 60 HB ILE 6 HB ILE 6 26.805 7.987 -2.897 61 HG12 ILE 6 HG12 ILE 6 27.026 5.201 -1.664 62 HG13 ILE 6 HG11 ILE 6 26.008 6.542 -1.092 63 HG21 ILE 6 HG21 ILE 6 28.210 5.448 -3.830 64 HG22 ILE 6 HG22 ILE 6 28.682 7.068 -4.396 65 HG23 ILE 6 HG23 ILE 6 27.047 6.449 -4.730 66 HD11 ILE 6 HD1 ILE 6 24.502 5.191 -2.327 67 HD12 ILE 6 HD2 ILE 6 25.698 4.863 -3.602 68 HD13 ILE 6 HD3 ILE 6 24.944 6.471 -3.480 69 H VAL 7 HN VAL 7 27.754 9.816 -1.854 70 HA VAL 7 HA VAL 7 29.498 10.859 -3.821 71 HB VAL 7 HB VAL 7 28.225 12.336 -1.511 72 HG11 VAL 7 HG11 VAL 7 29.879 13.746 -2.551 73 HG12 VAL 7 HG12 VAL 7 28.306 14.258 -3.205 74 HG13 VAL 7 HG13 VAL 7 29.385 13.235 -4.182 75 HG21 VAL 7 HG21 VAL 7 27.195 11.844 -4.345 76 HG22 VAL 7 HG22 VAL 7 26.368 12.782 -3.078 77 HG23 VAL 7 HG23 VAL 7 26.596 11.027 -2.882 78 H ALA 8 HN ALA 8 29.764 10.327 -0.563 79 HA ALA 8 HA ALA 8 32.084 11.962 0.012 80 HB1 ALA 8 HB1 ALA 8 31.136 9.465 1.456 81 HB2 ALA 8 HB2 ALA 8 30.494 11.101 1.736 82 HB3 ALA 8 HB3 ALA 8 32.198 10.737 2.103 83 H ASN 9 HN ASN 9 31.580 8.619 -1.064 84 HA ASN 9 HA ASN 9 34.170 7.587 -0.669 85 HB2 ASN 9 HB2 ASN 9 32.183 6.309 -1.501 86 HB3 ASN 9 HB1 ASN 9 32.386 7.094 -3.085 87 HD21 ASN 9 HD21 ASN 9 32.592 4.284 -2.942 88 HD22 ASN 9 HD22 ASN 9 34.281 3.823 -3.178 89 H LEU 10 HN LEU 10 32.890 9.539 -3.380 90 HA LEU 10 HA LEU 10 35.243 9.447 -4.994 91 HB2 LEU 10 HB2 LEU 10 32.963 11.432 -4.709 92 HB3 LEU 10 HB1 LEU 10 34.309 11.740 -5.831 93 HG LEU 10 HG LEU 10 33.874 9.576 -6.958 94 HD11 LEU 10 HD11 LEU 10 32.967 8.190 -5.242 95 HD12 LEU 10 HD12 LEU 10 31.611 8.465 -6.358 96 HD13 LEU 10 HD13 LEU 10 31.706 9.376 -4.831 97 HD21 LEU 10 HD21 LEU 10 32.703 11.737 -7.618 98 HD22 LEU 10 HD22 LEU 10 31.296 11.181 -6.679 99 HD23 LEU 10 HD23 LEU 10 31.846 10.252 -8.094 100 H LEU 11 HN LEU 11 34.194 11.776 -2.476 101 HA LEU 11 HA LEU 11 36.657 13.333 -2.700 102 HB2 LEU 11 HB2 LEU 11 34.752 13.334 -0.335 103 HB3 LEU 11 HB1 LEU 11 35.766 14.663 -0.947 104 HG LEU 11 HG LEU 11 33.353 13.428 -2.348 105 HD11 LEU 11 HD11 LEU 11 33.842 16.210 -1.192 106 HD12 LEU 11 HD12 LEU 11 32.841 14.946 -0.439 107 HD13 LEU 11 HD13 LEU 11 32.355 15.655 -1.997 108 HD21 LEU 11 HD21 LEU 11 34.888 14.043 -4.081 109 HD22 LEU 11 HD22 LEU 11 35.401 15.512 -3.217 110 HD23 LEU 11 HD23 LEU 11 33.777 15.424 -3.940 111 H LYS 12 HN LYS 12 36.318 10.267 -1.789 112 HA LYS 12 HA LYS 12 37.487 8.849 -0.375 113 HB2 LYS 12 HB2 LYS 12 39.472 11.158 -0.320 114 HB3 LYS 12 HB1 LYS 12 39.812 9.470 0.132 115 HG2 LYS 12 HG2 LYS 12 39.176 8.754 -2.177 116 HG3 LYS 12 HG1 LYS 12 38.939 10.463 -2.617 117 HD2 LYS 12 HD2 LYS 12 41.316 10.922 -1.987 118 HD3 LYS 12 HD1 LYS 12 41.539 9.186 -1.661 119 HE2 LYS 12 HE2 LYS 12 40.678 10.375 -4.335 120 HE3 LYS 12 HE1 LYS 12 42.319 9.806 -3.945 121 HZ1 LYS 12 HZ1 LYS 12 41.666 7.780 -4.513 122 HZ2 LYS 12 HZ2 LYS 12 40.072 8.305 -4.773 123 HZ3 LYS 12 HZ3 LYS 12 40.554 7.777 -3.233 124 H SER 13 HN SER 13 35.538 9.567 1.057 125 HA SER 13 HA SER 13 34.763 10.110 3.176 126 HB2 SER 13 HB2 SER 13 37.636 9.511 3.979 127 HB3 SER 13 HB1 SER 13 36.212 9.492 5.044 128 HG SER 13 HG SER 13 35.538 7.970 3.074 129 H LEU 14 HN LEU 14 34.487 12.340 2.467 130 HA LEU 14 HA LEU 14 35.705 14.170 4.342 131 HB2 LEU 14 HB2 LEU 14 37.574 13.887 2.657 132 HB3 LEU 14 HB1 LEU 14 36.483 14.553 1.426 133 HG LEU 14 HG LEU 14 36.208 16.601 2.976 134 HD11 LEU 14 HD11 LEU 14 37.054 15.895 5.083 135 HD12 LEU 14 HD12 LEU 14 38.345 16.925 4.435 136 HD13 LEU 14 HD13 LEU 14 38.501 15.156 4.361 137 HD21 LEU 14 HD21 LEU 14 38.311 17.614 2.160 138 HD22 LEU 14 HD22 LEU 14 37.568 16.599 0.900 139 HD23 LEU 14 HD23 LEU 14 38.966 15.995 1.821 140 H LEU 15 HN LEU 15 33.436 14.434 4.702 141 HA LEU 15 HA LEU 15 31.501 15.109 2.801 142 HB2 LEU 15 HB2 LEU 15 30.541 16.583 4.778 143 HB3 LEU 15 HB1 LEU 15 30.655 14.820 4.966 144 HG LEU 15 HG LEU 15 32.729 15.024 6.228 145 HD11 LEU 15 HD11 LEU 15 32.502 17.966 5.481 146 HD12 LEU 15 HD12 LEU 15 33.861 16.856 5.176 147 HD13 LEU 15 HD13 LEU 15 33.514 17.404 6.831 148 HD21 LEU 15 HD21 LEU 15 31.889 16.277 8.188 149 HD22 LEU 15 HD22 LEU 15 30.587 15.313 7.447 150 HD23 LEU 15 HD23 LEU 15 30.668 17.068 7.165 Start of MODEL 18 1 H1 LYS 1 HT1 LYS 1 15.661 5.814 2.119 2 H2 LYS 1 HT2 LYS 1 16.809 6.791 2.904 3 H3 LYS 1 HT3 LYS 1 17.043 5.111 2.805 4 HA LYS 1 HA LYS 1 17.059 5.358 0.348 5 HB2 LYS 1 HB2 LYS 1 17.465 8.275 1.123 6 HB3 LYS 1 HB1 LYS 1 17.543 7.590 -0.520 7 HG2 LYS 1 HG2 LYS 1 15.157 6.818 -0.243 8 HG3 LYS 1 HG1 LYS 1 15.105 7.692 1.307 9 HD2 LYS 1 HD2 LYS 1 15.712 9.799 0.104 10 HD3 LYS 1 HD1 LYS 1 15.649 8.909 -1.436 11 HE2 LYS 1 HE2 LYS 1 13.263 8.269 -0.875 12 HE3 LYS 1 HE1 LYS 1 13.359 9.373 0.519 13 HZ1 LYS 1 HZ1 LYS 1 12.397 10.460 -1.419 14 HZ2 LYS 1 HZ2 LYS 1 13.793 10.132 -2.329 15 HZ3 LYS 1 HZ3 LYS 1 13.872 11.184 -0.997 16 H LYS 2 HN LYS 2 19.175 5.818 -0.744 17 HA LYS 2 HA LYS 2 21.470 6.266 1.085 18 HB2 LYS 2 HB2 LYS 2 22.546 4.122 0.456 19 HB3 LYS 2 HB1 LYS 2 21.048 3.865 1.381 20 HG2 LYS 2 HG2 LYS 2 19.819 3.596 -0.808 21 HG3 LYS 2 HG1 LYS 2 21.383 3.669 -1.649 22 HD2 LYS 2 HD2 LYS 2 20.956 1.658 0.597 23 HD3 LYS 2 HD1 LYS 2 20.352 1.313 -1.036 24 HE2 LYS 2 HE2 LYS 2 23.243 2.067 -0.414 25 HE3 LYS 2 HE1 LYS 2 22.657 0.401 -0.610 26 HZ1 LYS 2 HZ1 LYS 2 21.951 0.923 -2.840 27 HZ2 LYS 2 HZ2 LYS 2 23.592 1.326 -2.664 28 HZ3 LYS 2 HZ3 LYS 2 22.411 2.546 -2.661 29 H LEU 3 HN LEU 3 23.502 5.369 -0.477 30 HA LEU 3 HA LEU 3 24.712 5.840 -2.400 31 HB2 LEU 3 HB2 LEU 3 22.333 5.277 -3.521 32 HB3 LEU 3 HB1 LEU 3 22.321 7.024 -3.836 33 HG LEU 3 HG LEU 3 24.789 6.589 -4.750 34 HD11 LEU 3 HD11 LEU 3 23.482 3.839 -5.001 35 HD12 LEU 3 HD12 LEU 3 24.946 4.224 -4.070 36 HD13 LEU 3 HD13 LEU 3 24.963 4.344 -5.844 37 HD21 LEU 3 HD21 LEU 3 23.828 6.108 -7.011 38 HD22 LEU 3 HD22 LEU 3 22.929 7.379 -6.148 39 HD23 LEU 3 HD23 LEU 3 22.269 5.728 -6.243 40 H LEU 4 HN LEU 4 22.970 7.898 -0.460 41 HA LEU 4 HA LEU 4 23.877 10.423 -1.729 42 HB2 LEU 4 HB2 LEU 4 22.637 10.174 1.027 43 HB3 LEU 4 HB1 LEU 4 22.568 11.534 -0.116 44 HG LEU 4 HG LEU 4 21.227 8.816 -0.437 45 HD11 LEU 4 HD11 LEU 4 19.157 10.055 -0.209 46 HD12 LEU 4 HD12 LEU 4 20.028 11.608 -0.212 47 HD13 LEU 4 HD13 LEU 4 20.201 10.493 1.164 48 HD21 LEU 4 HD21 LEU 4 21.897 9.509 -2.638 49 HD22 LEU 4 HD22 LEU 4 21.488 11.209 -2.306 50 HD23 LEU 4 HD23 LEU 4 20.195 9.999 -2.482 51 HA PRO 5 HA PRO 5 26.761 10.350 2.040 52 HB2 PRO 5 HB2 PRO 5 27.146 8.134 3.533 53 HB3 PRO 5 HB1 PRO 5 25.676 9.141 3.728 54 HG2 PRO 5 HG2 PRO 5 26.012 6.511 2.323 55 HG3 PRO 5 HG1 PRO 5 24.630 7.125 3.282 56 HD2 PRO 5 HD2 PRO 5 24.843 7.173 0.441 57 HD3 PRO 5 HD1 PRO 5 23.648 8.086 1.417 58 H ILE 6 HN ILE 6 26.737 7.612 -0.146 59 HA ILE 6 HA ILE 6 29.521 6.890 0.155 60 HB ILE 6 HB ILE 6 27.859 6.558 -2.377 61 HG12 ILE 6 HG12 ILE 6 27.900 4.863 0.164 62 HG13 ILE 6 HG11 ILE 6 26.515 5.775 -0.479 63 HG21 ILE 6 HG21 ILE 6 29.964 4.724 -1.156 64 HG22 ILE 6 HG22 ILE 6 30.379 6.022 -2.301 65 HG23 ILE 6 HG23 ILE 6 29.309 4.697 -2.811 66 HD11 ILE 6 HD1 ILE 6 27.835 3.290 -1.616 67 HD12 ILE 6 HD2 ILE 6 26.836 4.351 -2.640 68 HD13 ILE 6 HD3 ILE 6 26.123 3.555 -1.218 69 H VAL 7 HN VAL 7 27.771 9.302 -1.736 70 HA VAL 7 HA VAL 7 29.714 9.954 -3.635 71 HB VAL 7 HB VAL 7 27.993 11.933 -2.140 72 HG11 VAL 7 HG11 VAL 7 29.644 13.044 -3.533 73 HG12 VAL 7 HG12 VAL 7 28.079 13.133 -4.377 74 HG13 VAL 7 HG13 VAL 7 29.303 11.949 -4.894 75 HG21 VAL 7 HG21 VAL 7 27.355 10.298 -4.641 76 HG22 VAL 7 HG22 VAL 7 26.298 11.519 -3.892 77 HG23 VAL 7 HG23 VAL 7 26.670 10.012 -3.022 78 H ALA 8 HN ALA 8 29.517 10.555 -0.384 79 HA ALA 8 HA ALA 8 31.579 12.599 -0.185 80 HB1 ALA 8 HB1 ALA 8 30.650 10.732 2.017 81 HB2 ALA 8 HB2 ALA 8 29.729 12.163 1.496 82 HB3 ALA 8 HB3 ALA 8 31.361 12.354 2.182 83 H ASN 9 HN ASN 9 31.493 9.061 -0.015 84 HA ASN 9 HA ASN 9 34.128 8.706 1.063 85 HB2 ASN 9 HB2 ASN 9 32.607 6.885 -0.843 86 HB3 ASN 9 HB1 ASN 9 33.949 6.419 0.231 87 HD21 ASN 9 HD21 ASN 9 32.580 8.582 2.179 88 HD22 ASN 9 HD22 ASN 9 31.343 7.596 2.968 89 H LEU 10 HN LEU 10 32.937 9.500 -2.136 90 HA LEU 10 HA LEU 10 35.339 8.724 -3.566 91 HB2 LEU 10 HB2 LEU 10 33.358 10.875 -4.393 92 HB3 LEU 10 HB1 LEU 10 34.376 9.858 -5.438 93 HG LEU 10 HG LEU 10 32.101 8.863 -3.660 94 HD11 LEU 10 HD11 LEU 10 32.308 9.030 -6.698 95 HD12 LEU 10 HD12 LEU 10 31.421 10.195 -5.686 96 HD13 LEU 10 HD13 LEU 10 30.902 8.494 -5.750 97 HD21 LEU 10 HD21 LEU 10 33.682 7.080 -3.820 98 HD22 LEU 10 HD22 LEU 10 34.087 7.475 -5.510 99 HD23 LEU 10 HD23 LEU 10 32.511 6.746 -5.116 100 H LEU 11 HN LEU 11 34.240 11.641 -1.885 101 HA LEU 11 HA LEU 11 36.368 13.333 -2.910 102 HB2 LEU 11 HB2 LEU 11 34.884 13.721 -0.289 103 HB3 LEU 11 HB1 LEU 11 35.585 14.958 -1.360 104 HG LEU 11 HG LEU 11 33.206 13.157 -1.998 105 HD11 LEU 11 HD11 LEU 11 31.959 15.311 -1.987 106 HD12 LEU 11 HD12 LEU 11 33.446 16.157 -1.495 107 HD13 LEU 11 HD13 LEU 11 32.695 14.969 -0.404 108 HD21 LEU 11 HD21 LEU 11 33.073 14.781 -4.019 109 HD22 LEU 11 HD22 LEU 11 34.333 13.529 -4.073 110 HD23 LEU 11 HD23 LEU 11 34.760 15.202 -3.638 111 H LYS 12 HN LYS 12 35.800 12.091 0.418 112 HA LYS 12 HA LYS 12 38.340 12.690 1.447 113 HB2 LYS 12 HB2 LYS 12 36.523 10.326 2.060 114 HB3 LYS 12 HB1 LYS 12 37.921 10.807 3.052 115 HG2 LYS 12 HG2 LYS 12 36.894 13.090 3.299 116 HG3 LYS 12 HG1 LYS 12 35.454 12.491 2.439 117 HD2 LYS 12 HD2 LYS 12 35.128 10.754 4.165 118 HD3 LYS 12 HD1 LYS 12 36.581 11.324 5.022 119 HE2 LYS 12 HE2 LYS 12 35.500 13.584 5.243 120 HE3 LYS 12 HE1 LYS 12 34.022 12.903 4.522 121 HZ1 LYS 12 HZ1 LYS 12 35.126 11.369 6.717 122 HZ2 LYS 12 HZ2 LYS 12 33.518 11.815 6.398 123 HZ3 LYS 12 HZ3 LYS 12 34.573 12.912 7.153 124 H SER 13 HN SER 13 37.309 9.444 0.280 125 HA SER 13 HA SER 13 38.564 7.710 -0.610 126 HB2 SER 13 HB2 SER 13 40.429 9.898 -1.599 127 HB3 SER 13 HB1 SER 13 40.220 8.268 -2.277 128 HG SER 13 HG SER 13 38.490 10.497 -2.336 129 H LEU 14 HN LEU 14 40.671 6.558 -0.542 130 HA LEU 14 HA LEU 14 41.802 6.812 2.130 131 HB2 LEU 14 HB2 LEU 14 42.945 5.128 -0.123 132 HB3 LEU 14 HB1 LEU 14 42.982 4.818 1.630 133 HG LEU 14 HG LEU 14 40.523 4.769 -0.175 134 HD11 LEU 14 HD11 LEU 14 40.484 2.371 0.429 135 HD12 LEU 14 HD12 LEU 14 41.956 2.587 1.407 136 HD13 LEU 14 HD13 LEU 14 42.021 2.798 -0.360 137 HD21 LEU 14 HD21 LEU 14 40.866 4.533 2.845 138 HD22 LEU 14 HD22 LEU 14 39.446 3.871 1.999 139 HD23 LEU 14 HD23 LEU 14 39.781 5.616 1.942 140 H LEU 15 HN LEU 15 44.328 6.567 2.269 141 HA LEU 15 HA LEU 15 45.440 9.083 1.652 142 HB2 LEU 15 HB2 LEU 15 46.438 7.696 3.349 143 HB3 LEU 15 HB1 LEU 15 46.740 6.386 2.190 144 HG LEU 15 HG LEU 15 48.436 7.681 1.044 145 HD11 LEU 15 HD11 LEU 15 47.399 9.967 2.765 146 HD12 LEU 15 HD12 LEU 15 47.552 9.898 0.993 147 HD13 LEU 15 HD13 LEU 15 49.008 10.021 2.005 148 HD21 LEU 15 HD21 LEU 15 49.138 6.562 3.136 149 HD22 LEU 15 HD22 LEU 15 48.713 8.021 4.064 150 HD23 LEU 15 HD23 LEU 15 50.050 8.070 2.888 Start of MODEL 19 1 H1 LYS 1 HT1 LYS 1 17.534 11.890 0.801 2 H2 LYS 1 HT2 LYS 1 18.627 11.316 -0.366 3 H3 LYS 1 HT3 LYS 1 17.829 12.798 -0.600 4 HA LYS 1 HA LYS 1 19.104 13.920 0.847 5 HB2 LYS 1 HB2 LYS 1 18.558 12.359 2.725 6 HB3 LYS 1 HB1 LYS 1 19.844 11.271 2.151 7 HG2 LYS 1 HG2 LYS 1 21.527 13.023 2.478 8 HG3 LYS 1 HG1 LYS 1 20.262 14.187 2.941 9 HD2 LYS 1 HD2 LYS 1 19.672 12.795 4.891 10 HD3 LYS 1 HD1 LYS 1 20.903 11.599 4.421 11 HE2 LYS 1 HE2 LYS 1 21.894 12.998 6.121 12 HE3 LYS 1 HE1 LYS 1 22.627 13.466 4.567 13 HZ1 LYS 1 HZ1 LYS 1 21.827 15.506 4.801 14 HZ2 LYS 1 HZ2 LYS 1 21.279 15.100 6.358 15 HZ3 LYS 1 HZ3 LYS 1 20.245 14.936 5.019 16 H LYS 2 HN LYS 2 21.083 14.657 0.311 17 HA LYS 2 HA LYS 2 22.717 12.918 -1.510 18 HB2 LYS 2 HB2 LYS 2 23.834 15.222 -1.968 19 HB3 LYS 2 HB1 LYS 2 22.174 14.977 -2.555 20 HG2 LYS 2 HG2 LYS 2 21.230 16.210 -0.729 21 HG3 LYS 2 HG1 LYS 2 22.772 16.216 0.160 22 HD2 LYS 2 HD2 LYS 2 23.788 17.581 -1.676 23 HD3 LYS 2 HD1 LYS 2 22.200 17.635 -2.480 24 HE2 LYS 2 HE2 LYS 2 22.681 18.597 0.371 25 HE3 LYS 2 HE1 LYS 2 22.719 19.666 -1.052 26 HZ1 LYS 2 HZ1 LYS 2 20.466 19.180 -1.522 27 HZ2 LYS 2 HZ2 LYS 2 20.533 19.524 0.140 28 HZ3 LYS 2 HZ3 LYS 2 20.408 17.916 -0.394 29 H LEU 3 HN LEU 3 25.149 14.141 -1.350 30 HA LEU 3 HA LEU 3 27.125 13.963 -0.158 31 HB2 LEU 3 HB2 LEU 3 25.420 14.559 2.296 32 HB3 LEU 3 HB1 LEU 3 27.172 14.793 2.128 33 HG LEU 3 HG LEU 3 25.127 16.207 0.360 34 HD11 LEU 3 HD11 LEU 3 24.794 16.809 2.753 35 HD12 LEU 3 HD12 LEU 3 25.440 18.173 1.809 36 HD13 LEU 3 HD13 LEU 3 26.518 17.236 2.871 37 HD21 LEU 3 HD21 LEU 3 28.115 16.524 0.882 38 HD22 LEU 3 HD22 LEU 3 27.139 17.811 0.137 39 HD23 LEU 3 HD23 LEU 3 27.294 16.236 -0.670 40 H LEU 4 HN LEU 4 24.780 11.797 -0.170 41 HA LEU 4 HA LEU 4 24.997 10.096 2.013 42 HB2 LEU 4 HB2 LEU 4 25.069 9.211 -0.896 43 HB3 LEU 4 HB1 LEU 4 24.537 8.230 0.486 44 HG LEU 4 HG LEU 4 23.237 10.858 -0.369 45 HD11 LEU 4 HD11 LEU 4 22.386 7.965 -0.847 46 HD12 LEU 4 HD12 LEU 4 22.962 9.104 -2.087 47 HD13 LEU 4 HD13 LEU 4 21.420 9.404 -1.250 48 HD21 LEU 4 HD21 LEU 4 21.339 9.770 1.094 49 HD22 LEU 4 HD22 LEU 4 22.707 10.540 1.924 50 HD23 LEU 4 HD23 LEU 4 22.644 8.768 1.769 51 HA PRO 5 HA PRO 5 29.168 8.689 2.712 52 HB2 PRO 5 HB2 PRO 5 27.988 5.931 2.251 53 HB3 PRO 5 HB1 PRO 5 29.139 6.475 3.515 54 HG2 PRO 5 HG2 PRO 5 26.525 6.178 4.045 55 HG3 PRO 5 HG1 PRO 5 27.480 7.510 4.767 56 HD2 PRO 5 HD2 PRO 5 25.386 7.644 2.626 57 HD3 PRO 5 HD1 PRO 5 25.960 8.922 3.750 58 H ILE 6 HN ILE 6 27.275 7.383 0.008 59 HA ILE 6 HA ILE 6 29.535 6.356 -1.472 60 HB ILE 6 HB ILE 6 26.899 7.306 -2.668 61 HG12 ILE 6 HG12 ILE 6 27.554 4.696 -1.223 62 HG13 ILE 6 HG11 ILE 6 26.381 5.928 -0.704 63 HG21 ILE 6 HG21 ILE 6 27.350 5.679 -4.370 64 HG22 ILE 6 HG22 ILE 6 28.647 4.925 -3.413 65 HG23 ILE 6 HG23 ILE 6 28.886 6.540 -4.120 66 HD11 ILE 6 HD1 ILE 6 25.049 4.276 -1.768 67 HD12 ILE 6 HD2 ILE 6 26.223 4.048 -3.083 68 HD13 ILE 6 HD3 ILE 6 25.241 5.532 -3.013 69 H VAL 7 HN VAL 7 27.564 9.346 -1.818 70 HA VAL 7 HA VAL 7 29.030 10.466 -3.931 71 HB VAL 7 HB VAL 7 27.774 11.976 -1.639 72 HG11 VAL 7 HG11 VAL 7 27.412 13.701 -3.485 73 HG12 VAL 7 HG12 VAL 7 28.484 12.716 -4.509 74 HG13 VAL 7 HG13 VAL 7 29.109 13.451 -3.013 75 HG21 VAL 7 HG21 VAL 7 26.248 10.284 -2.725 76 HG22 VAL 7 HG22 VAL 7 26.514 11.108 -4.280 77 HG23 VAL 7 HG23 VAL 7 25.709 11.967 -2.946 78 H ALA 8 HN ALA 8 29.615 10.246 -0.679 79 HA ALA 8 HA ALA 8 31.783 12.200 -0.513 80 HB1 ALA 8 HB1 ALA 8 30.471 11.686 1.463 81 HB2 ALA 8 HB2 ALA 8 32.161 11.198 1.736 82 HB3 ALA 8 HB3 ALA 8 30.927 9.970 1.362 83 H ASN 9 HN ASN 9 31.519 8.680 -0.947 84 HA ASN 9 HA ASN 9 34.186 7.925 -0.522 85 HB2 ASN 9 HB2 ASN 9 32.327 6.359 -1.032 86 HB3 ASN 9 HB1 ASN 9 32.340 6.919 -2.722 87 HD21 ASN 9 HD21 ASN 9 34.394 6.557 -3.989 88 HD22 ASN 9 HD22 ASN 9 35.433 5.204 -3.531 89 H LEU 10 HN LEU 10 32.779 9.719 -3.207 90 HA LEU 10 HA LEU 10 34.971 9.344 -5.042 91 HB2 LEU 10 HB2 LEU 10 33.186 11.797 -4.915 92 HB3 LEU 10 HB1 LEU 10 33.965 11.065 -6.338 93 HG LEU 10 HG LEU 10 31.705 9.869 -4.674 94 HD11 LEU 10 HD11 LEU 10 31.819 10.677 -7.612 95 HD12 LEU 10 HD12 LEU 10 31.148 11.703 -6.321 96 HD13 LEU 10 HD13 LEU 10 30.389 10.138 -6.701 97 HD21 LEU 10 HD21 LEU 10 33.424 8.722 -6.914 98 HD22 LEU 10 HD22 LEU 10 31.790 8.101 -6.572 99 HD23 LEU 10 HD23 LEU 10 33.056 8.007 -5.327 100 H LEU 11 HN LEU 11 34.213 11.876 -2.623 101 HA LEU 11 HA LEU 11 36.553 13.460 -3.249 102 HB2 LEU 11 HB2 LEU 11 34.632 13.325 -0.902 103 HB3 LEU 11 HB1 LEU 11 36.057 14.391 -0.860 104 HG LEU 11 HG LEU 11 35.314 15.528 -2.902 105 HD11 LEU 11 HD11 LEU 11 34.232 13.823 -4.170 106 HD12 LEU 11 HD12 LEU 11 32.926 14.944 -3.725 107 HD13 LEU 11 HD13 LEU 11 33.126 13.414 -2.837 108 HD21 LEU 11 HD21 LEU 11 34.439 16.249 -0.655 109 HD22 LEU 11 HD22 LEU 11 32.999 15.241 -0.933 110 HD23 LEU 11 HD23 LEU 11 33.329 16.633 -1.991 111 H LYS 12 HN LYS 12 36.265 12.626 0.103 112 HA LYS 12 HA LYS 12 38.491 10.665 0.011 113 HB2 LYS 12 HB2 LYS 12 38.753 13.391 1.346 114 HB3 LYS 12 HB1 LYS 12 39.868 12.026 1.592 115 HG2 LYS 12 HG2 LYS 12 40.181 12.004 -0.961 116 HG3 LYS 12 HG1 LYS 12 39.335 13.569 -0.978 117 HD2 LYS 12 HD2 LYS 12 41.016 14.538 0.520 118 HD3 LYS 12 HD1 LYS 12 41.836 12.964 0.658 119 HE2 LYS 12 HE2 LYS 12 42.996 14.390 -0.985 120 HE3 LYS 12 HE1 LYS 12 42.261 12.984 -1.794 121 HZ1 LYS 12 HZ1 LYS 12 41.821 15.039 -2.996 122 HZ2 LYS 12 HZ2 LYS 12 41.073 15.712 -1.628 123 HZ3 LYS 12 HZ3 LYS 12 40.378 14.371 -2.407 124 H SER 13 HN SER 13 36.350 9.643 0.756 125 HA SER 13 HA SER 13 35.476 10.278 3.464 126 HB2 SER 13 HB2 SER 13 34.056 9.195 1.666 127 HB3 SER 13 HB1 SER 13 35.013 7.715 1.896 128 HG SER 13 HG SER 13 34.282 8.627 4.287 129 H LEU 14 HN LEU 14 35.205 7.784 4.645 130 HA LEU 14 HA LEU 14 37.713 6.359 4.756 131 HB2 LEU 14 HB2 LEU 14 38.616 7.106 6.833 132 HB3 LEU 14 HB1 LEU 14 38.315 8.569 5.872 133 HG LEU 14 HG LEU 14 36.617 7.476 8.161 134 HD11 LEU 14 HD11 LEU 14 38.681 8.788 8.713 135 HD12 LEU 14 HD12 LEU 14 37.182 9.600 9.225 136 HD13 LEU 14 HD13 LEU 14 38.035 10.144 7.760 137 HD21 LEU 14 HD21 LEU 14 36.053 9.651 6.102 138 HD22 LEU 14 HD22 LEU 14 35.268 9.639 7.699 139 HD23 LEU 14 HD23 LEU 14 35.013 8.285 6.576 140 H LEU 15 HN LEU 15 37.778 5.059 6.974 141 HA LEU 15 HA LEU 15 35.236 3.606 7.022 142 HB2 LEU 15 HB2 LEU 15 37.890 3.313 8.467 143 HB3 LEU 15 HB1 LEU 15 36.501 2.280 8.856 144 HG LEU 15 HG LEU 15 38.175 1.335 7.166 145 HD11 LEU 15 HD11 LEU 15 35.412 1.588 5.916 146 HD12 LEU 15 HD12 LEU 15 35.670 0.667 7.414 147 HD13 LEU 15 HD13 LEU 15 36.515 0.198 5.924 148 HD21 LEU 15 HD21 LEU 15 36.856 3.291 5.236 149 HD22 LEU 15 HD22 LEU 15 38.186 2.160 4.907 150 HD23 LEU 15 HD23 LEU 15 38.456 3.562 5.967 Start of MODEL 20 1 H1 LYS 1 HT1 LYS 1 18.533 12.084 -4.109 2 H2 LYS 1 HT2 LYS 1 18.452 13.629 -4.812 3 H3 LYS 1 HT3 LYS 1 17.399 13.211 -3.546 4 HA LYS 1 HA LYS 1 19.956 14.340 -3.433 5 HB2 LYS 1 HB2 LYS 1 17.888 13.520 -1.357 6 HB3 LYS 1 HB1 LYS 1 19.332 14.499 -1.004 7 HG2 LYS 1 HG2 LYS 1 18.596 16.204 -2.625 8 HG3 LYS 1 HG1 LYS 1 17.169 15.221 -3.030 9 HD2 LYS 1 HD2 LYS 1 16.278 15.454 -0.793 10 HD3 LYS 1 HD1 LYS 1 17.783 16.212 -0.215 11 HE2 LYS 1 HE2 LYS 1 17.400 18.097 -1.829 12 HE3 LYS 1 HE1 LYS 1 15.839 17.362 -2.264 13 HZ1 LYS 1 HZ1 LYS 1 16.024 17.508 0.536 14 HZ2 LYS 1 HZ2 LYS 1 14.935 18.308 -0.494 15 HZ3 LYS 1 HZ3 LYS 1 16.420 19.032 -0.093 16 H LYS 2 HN LYS 2 20.991 12.229 -4.327 17 HA LYS 2 HA LYS 2 21.371 10.082 -2.377 18 HB2 LYS 2 HB2 LYS 2 23.064 9.266 -4.008 19 HB3 LYS 2 HB1 LYS 2 21.496 9.614 -4.777 20 HG2 LYS 2 HG2 LYS 2 22.358 11.854 -5.466 21 HG3 LYS 2 HG1 LYS 2 23.938 11.445 -4.756 22 HD2 LYS 2 HD2 LYS 2 24.221 9.590 -6.302 23 HD3 LYS 2 HD1 LYS 2 22.569 9.806 -6.930 24 HE2 LYS 2 HE2 LYS 2 23.151 12.019 -7.809 25 HE3 LYS 2 HE1 LYS 2 24.781 11.899 -7.102 26 HZ1 LYS 2 HZ1 LYS 2 24.421 11.273 -9.567 27 HZ2 LYS 2 HZ2 LYS 2 23.804 9.814 -8.951 28 HZ3 LYS 2 HZ3 LYS 2 25.400 10.279 -8.602 29 H LEU 3 HN LEU 3 21.945 12.628 -1.257 30 HA LEU 3 HA LEU 3 24.813 13.063 -1.235 31 HB2 LEU 3 HB2 LEU 3 22.892 13.827 0.993 32 HB3 LEU 3 HB1 LEU 3 24.386 14.650 0.482 33 HG LEU 3 HG LEU 3 21.794 14.443 -1.115 34 HD11 LEU 3 HD11 LEU 3 23.227 16.789 0.211 35 HD12 LEU 3 HD12 LEU 3 21.703 16.048 0.756 36 HD13 LEU 3 HD13 LEU 3 21.766 16.914 -0.797 37 HD21 LEU 3 HD21 LEU 3 23.075 16.117 -2.617 38 HD22 LEU 3 HD22 LEU 3 23.577 14.414 -2.716 39 HD23 LEU 3 HD23 LEU 3 24.546 15.576 -1.775 40 H LEU 4 HN LEU 4 23.125 10.428 -0.352 41 HA LEU 4 HA LEU 4 24.002 9.863 2.301 42 HB2 LEU 4 HB2 LEU 4 23.641 7.822 0.080 43 HB3 LEU 4 HB1 LEU 4 23.432 7.573 1.827 44 HG LEU 4 HG LEU 4 21.721 9.364 0.045 45 HD11 LEU 4 HD11 LEU 4 21.309 6.948 -0.254 46 HD12 LEU 4 HD12 LEU 4 19.945 7.715 0.594 47 HD13 LEU 4 HD13 LEU 4 21.132 6.751 1.506 48 HD21 LEU 4 HD21 LEU 4 20.296 9.395 2.238 49 HD22 LEU 4 HD22 LEU 4 21.734 10.435 2.170 50 HD23 LEU 4 HD23 LEU 4 21.796 8.889 3.052 51 HA PRO 5 HA PRO 5 28.408 9.172 2.225 52 HB2 PRO 5 HB2 PRO 5 27.717 6.374 3.172 53 HB3 PRO 5 HB1 PRO 5 28.992 7.489 3.760 54 HG2 PRO 5 HG2 PRO 5 26.701 7.209 5.097 55 HG3 PRO 5 HG1 PRO 5 27.475 8.815 4.922 56 HD2 PRO 5 HD2 PRO 5 25.008 7.750 3.576 57 HD3 PRO 5 HD1 PRO 5 25.459 9.439 3.977 58 H ILE 6 HN ILE 6 28.223 9.242 -0.194 59 HA ILE 6 HA ILE 6 29.314 6.727 -1.325 60 HB ILE 6 HB ILE 6 26.949 8.071 -2.715 61 HG12 ILE 6 HG12 ILE 6 27.024 5.554 -0.983 62 HG13 ILE 6 HG11 ILE 6 26.086 7.032 -0.672 63 HG21 ILE 6 HG21 ILE 6 28.179 5.318 -3.162 64 HG22 ILE 6 HG22 ILE 6 28.746 6.766 -4.026 65 HG23 ILE 6 HG23 ILE 6 27.071 6.211 -4.230 66 HD11 ILE 6 HD1 ILE 6 25.661 4.938 -2.825 67 HD12 ILE 6 HD2 ILE 6 24.993 6.579 -2.998 68 HD13 ILE 6 HD3 ILE 6 24.500 5.555 -1.628 69 H VAL 7 HN VAL 7 27.878 9.802 -2.517 70 HA VAL 7 HA VAL 7 29.876 10.262 -4.457 71 HB VAL 7 HB VAL 7 28.302 12.362 -2.962 72 HG11 VAL 7 HG11 VAL 7 28.519 13.568 -5.193 73 HG12 VAL 7 HG12 VAL 7 29.663 12.298 -5.690 74 HG13 VAL 7 HG13 VAL 7 30.051 13.357 -4.312 75 HG21 VAL 7 HG21 VAL 7 26.824 10.587 -3.875 76 HG22 VAL 7 HG22 VAL 7 27.572 10.791 -5.477 77 HG23 VAL 7 HG23 VAL 7 26.616 12.113 -4.766 78 H ALA 8 HN ALA 8 29.675 10.837 -1.202 79 HA ALA 8 HA ALA 8 31.938 12.670 -0.958 80 HB1 ALA 8 HB1 ALA 8 30.055 12.592 0.670 81 HB2 ALA 8 HB2 ALA 8 31.647 12.390 1.439 82 HB3 ALA 8 HB3 ALA 8 30.597 10.976 1.179 83 H ASN 9 HN ASN 9 31.381 9.185 -0.339 84 HA ASN 9 HA ASN 9 33.882 8.503 0.726 85 HB2 ASN 9 HB2 ASN 9 32.095 6.975 -1.204 86 HB3 ASN 9 HB1 ASN 9 33.510 6.259 -0.395 87 HD21 ASN 9 HD21 ASN 9 30.594 8.257 0.504 88 HD22 ASN 9 HD22 ASN 9 30.281 7.358 1.994 89 H LEU 10 HN LEU 10 33.074 9.549 -2.494 90 HA LEU 10 HA LEU 10 35.449 8.461 -3.772 91 HB2 LEU 10 HB2 LEU 10 33.143 9.299 -4.778 92 HB3 LEU 10 HB1 LEU 10 33.937 10.881 -4.794 93 HG LEU 10 HG LEU 10 34.304 9.923 -6.954 94 HD11 LEU 10 HD11 LEU 10 36.697 9.870 -7.113 95 HD12 LEU 10 HD12 LEU 10 36.874 9.341 -5.426 96 HD13 LEU 10 HD13 LEU 10 36.292 10.982 -5.789 97 HD21 LEU 10 HD21 LEU 10 33.850 7.490 -6.043 98 HD22 LEU 10 HD22 LEU 10 35.612 7.420 -5.821 99 HD23 LEU 10 HD23 LEU 10 34.932 7.704 -7.434 100 H LEU 11 HN LEU 11 34.464 11.810 -2.901 101 HA LEU 11 HA LEU 11 37.057 12.940 -3.375 102 HB2 LEU 11 HB2 LEU 11 34.630 13.806 -1.770 103 HB3 LEU 11 HB1 LEU 11 36.119 14.778 -1.768 104 HG LEU 11 HG LEU 11 36.028 15.015 -4.199 105 HD11 LEU 11 HD11 LEU 11 35.137 12.928 -4.948 106 HD12 LEU 11 HD12 LEU 11 33.900 14.132 -5.370 107 HD13 LEU 11 HD13 LEU 11 33.678 13.095 -3.941 108 HD21 LEU 11 HD21 LEU 11 33.298 15.523 -2.927 109 HD22 LEU 11 HD22 LEU 11 33.937 16.327 -4.381 110 HD23 LEU 11 HD23 LEU 11 34.711 16.597 -2.801 111 H LYS 12 HN LYS 12 35.522 12.855 -0.146 112 HA LYS 12 HA LYS 12 37.874 13.051 1.345 113 HB2 LYS 12 HB2 LYS 12 35.402 11.432 2.078 114 HB3 LYS 12 HB1 LYS 12 36.613 12.079 3.211 115 HG2 LYS 12 HG2 LYS 12 36.078 14.383 2.474 116 HG3 LYS 12 HG1 LYS 12 34.864 13.740 1.342 117 HD2 LYS 12 HD2 LYS 12 33.532 12.853 3.162 118 HD3 LYS 12 HD1 LYS 12 34.805 13.236 4.347 119 HE2 LYS 12 HE2 LYS 12 34.507 15.618 4.001 120 HE3 LYS 12 HE1 LYS 12 33.397 15.331 2.639 121 HZ1 LYS 12 HZ1 LYS 12 32.610 13.981 5.054 122 HZ2 LYS 12 HZ2 LYS 12 31.702 14.979 4.022 123 HZ3 LYS 12 HZ3 LYS 12 32.669 15.666 5.238 124 H SER 13 HN SER 13 36.093 9.946 1.054 125 HA SER 13 HA SER 13 36.888 7.768 1.015 126 HB2 SER 13 HB2 SER 13 37.870 8.674 -1.154 127 HB3 SER 13 HB1 SER 13 39.392 8.916 -0.269 128 HG SER 13 HG SER 13 39.223 6.857 -1.343 129 H LEU 14 HN LEU 14 37.182 7.165 3.097 130 HA LEU 14 HA LEU 14 39.317 8.182 4.756 131 HB2 LEU 14 HB2 LEU 14 37.431 5.809 4.943 132 HB3 LEU 14 HB1 LEU 14 38.694 6.086 6.164 133 HG LEU 14 HG LEU 14 37.786 8.357 6.586 134 HD11 LEU 14 HD11 LEU 14 36.791 9.015 4.529 135 HD12 LEU 14 HD12 LEU 14 35.405 8.759 5.610 136 HD13 LEU 14 HD13 LEU 14 35.834 7.520 4.407 137 HD21 LEU 14 HD21 LEU 14 35.699 6.132 6.720 138 HD22 LEU 14 HD22 LEU 14 35.689 7.623 7.693 139 HD23 LEU 14 HD23 LEU 14 36.985 6.423 7.916 140 H LEU 15 HN LEU 15 38.874 5.204 2.832 141 HA LEU 15 HA LEU 15 41.497 4.147 3.595 142 HB2 LEU 15 HB2 LEU 15 39.843 3.272 1.204 143 HB3 LEU 15 HB1 LEU 15 40.964 2.309 2.195 144 HG LEU 15 HG LEU 15 38.278 3.454 3.082 145 HD11 LEU 15 HD11 LEU 15 37.563 1.144 3.175 146 HD12 LEU 15 HD12 LEU 15 39.210 0.563 2.837 147 HD13 LEU 15 HD13 LEU 15 38.289 1.413 1.573 148 HD21 LEU 15 HD21 LEU 15 40.494 1.995 4.583 149 HD22 LEU 15 HD22 LEU 15 38.810 2.012 5.162 150 HD23 LEU 15 HD23 LEU 15 39.710 3.538 5.003
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