NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
615238 | 5j6t | 30057 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ACE 1 HH31 ACE 1 -1.876 -1.967 2.609 2 H2 ACE 1 HH32 ACE 1 -1.427 -2.643 1.026 3 H3 ACE 1 HH33 ACE 1 -1.117 -0.927 1.380 4 H ILE 2 H ILE 2 1.076 -2.071 0.534 5 HA ILE 2 HA ILE 2 2.585 -2.950 3.020 6 HB ILE 2 HB ILE 2 4.075 -4.095 1.348 7 HG12 ILE 2 HG12 ILE 2 2.051 -3.730 -0.817 8 HG13 ILE 2 HG13 ILE 2 3.072 -2.316 -0.461 9 HG21 ILE 2 HG21 ILE 2 2.163 -5.303 2.367 10 HG22 ILE 2 HG22 ILE 2 1.104 -4.726 1.058 11 HG23 ILE 2 HG23 ILE 2 2.443 -5.840 0.693 12 HD11 ILE 2 HD11 ILE 2 4.116 -3.755 -2.190 13 HD12 ILE 2 HD12 ILE 2 4.080 -5.133 -1.064 14 HD13 ILE 2 HD13 ILE 2 5.102 -3.719 -0.708 15 H PHE 3 H PHE 3 2.020 -0.147 1.964 16 HA PHE 3 HA PHE 3 4.292 0.988 0.649 17 HB2 PHE 3 HB3 PHE 3 2.120 2.103 1.151 18 HB3 PHE 3 HB2 PHE 3 2.530 2.110 2.883 19 HD1 PHE 3 HD1 PHE 3 4.394 2.928 -0.289 20 HD2 PHE 3 HD2 PHE 3 3.171 4.219 3.622 21 HE1 PHE 3 HE1 PHE 3 5.649 5.046 -0.594 22 HE2 PHE 3 HE2 PHE 3 4.426 6.335 3.316 23 HZ PHE 3 HZ PHE 3 5.666 6.749 1.209 24 H GLY 4 H GLY 4 3.739 0.381 4.147 25 HA2 GLY 4 HA3 GLY 4 6.185 1.605 5.063 26 HA3 GLY 4 HA2 GLY 4 5.287 0.338 5.931 27 H ALA 5 H ALA 5 5.607 -1.342 3.316 28 HA ALA 5 HA ALA 5 8.216 -2.544 4.176 29 HB1 ALA 5 HB1 ALA 5 7.409 -4.398 2.706 30 HB2 ALA 5 HB2 ALA 5 6.047 -3.376 2.185 31 HB3 ALA 5 HB3 ALA 5 6.163 -3.910 3.880 32 H ILE 6 H ILE 6 6.972 -0.453 1.696 33 HA ILE 6 HA ILE 6 9.037 -1.212 -0.314 34 HB ILE 6 HB ILE 6 7.030 1.085 -0.098 35 HG12 ILE 6 HG12 ILE 6 5.985 -1.164 -0.139 36 HG13 ILE 6 HG13 ILE 6 5.682 -0.292 -1.660 37 HG21 ILE 6 HG21 ILE 6 8.467 1.872 -1.739 38 HG22 ILE 6 HG22 ILE 6 9.016 0.240 -2.190 39 HG23 ILE 6 HG23 ILE 6 7.427 0.827 -2.737 40 HD11 ILE 6 HD11 ILE 6 6.378 -2.330 -2.524 41 HD12 ILE 6 HD12 ILE 6 7.429 -2.682 -1.132 42 HD13 ILE 6 HD13 ILE 6 7.959 -1.525 -2.377 43 H TRP 7 H TRP 7 8.502 1.295 2.156 44 HA TRP 7 HA TRP 7 10.617 3.085 1.284 45 HB2 TRP 7 HB3 TRP 7 8.665 2.844 3.347 46 HB3 TRP 7 HB2 TRP 7 10.234 3.024 4.170 47 HD1 TRP 7 HD1 TRP 7 7.575 5.077 2.872 48 HE1 TRP 7 HE1 TRP 7 8.345 7.471 2.303 49 HE3 TRP 7 HE3 TRP 7 12.625 4.330 2.892 50 HZ2 TRP 7 HZ2 TRP 7 10.843 8.864 1.909 51 HZ3 TRP 7 HZ3 TRP 7 14.177 6.202 2.415 52 HH2 TRP 7 HH2 TRP 7 13.292 8.466 1.925 53 HA PRO 8 HA PRO 8 13.276 0.694 4.648 54 HB2 PRO 8 HB2 PRO 8 12.033 -2.012 4.361 55 HB3 PRO 8 HB3 PRO 8 12.603 -1.172 5.831 56 HG2 PRO 8 HG2 PRO 8 9.978 -1.484 5.227 57 HG3 PRO 8 HG3 PRO 8 10.616 -0.099 6.152 58 HD2 PRO 8 HD3 PRO 8 9.632 -0.222 3.349 59 HD3 PRO 8 HD2 PRO 8 9.655 1.153 4.493 60 H LEU 9 H LEU 9 11.834 -0.705 1.731 61 HA LEU 9 HA LEU 9 14.313 -2.166 0.984 62 HB2 LEU 9 HB2 LEU 9 11.945 -2.857 0.441 63 HB3 LEU 9 HB3 LEU 9 11.813 -1.429 -0.615 64 HG LEU 9 HG LEU 9 14.013 -2.367 -1.712 65 HD11 LEU 9 HD11 LEU 9 14.391 -4.118 0.002 66 HD12 LEU 9 HD12 LEU 9 14.151 -4.839 -1.607 67 HD13 LEU 9 HD13 LEU 9 12.829 -4.862 -0.415 68 HD21 LEU 9 HD21 LEU 9 11.804 -2.223 -2.829 69 HD22 LEU 9 HD22 LEU 9 11.319 -3.757 -2.067 70 HD23 LEU 9 HD23 LEU 9 12.641 -3.734 -3.259 71 H ALA 10 H ALA 10 12.829 0.989 0.386 72 HA ALA 10 HA ALA 10 14.315 1.712 -1.990 73 HB1 ALA 10 HB1 ALA 10 13.698 4.020 -1.252 74 HB2 ALA 10 HB2 ALA 10 12.328 2.896 -1.079 75 HB3 ALA 10 HB3 ALA 10 13.269 3.380 0.353 76 H LEU 11 H LEU 11 15.112 1.797 1.474 77 HA LEU 11 HA LEU 11 17.570 3.377 1.127 78 HB2 LEU 11 HB2 LEU 11 16.158 1.766 3.242 79 HB3 LEU 11 HB3 LEU 11 17.882 2.127 3.498 80 HG LEU 11 HG LEU 11 15.794 4.234 2.798 81 HD11 LEU 11 HD11 LEU 11 15.313 3.215 5.008 82 HD12 LEU 11 HD12 LEU 11 15.925 4.876 5.189 83 HD13 LEU 11 HD13 LEU 11 17.000 3.492 5.503 84 HD21 LEU 11 HD21 LEU 11 17.576 5.787 3.552 85 HD22 LEU 11 HD22 LEU 11 18.138 4.776 2.199 86 HD23 LEU 11 HD23 LEU 11 18.650 4.402 3.863 87 H GLY 12 H GLY 12 16.717 -0.054 0.984 88 HA2 GLY 12 HA3 GLY 12 19.509 -0.981 1.154 89 HA3 GLY 12 HA2 GLY 12 18.103 -1.961 0.672 90 H ALA 13 H ALA 13 17.259 -0.035 -1.412 91 HA ALA 13 HA ALA 13 18.656 -1.143 -3.670 92 HB1 ALA 13 HB1 ALA 13 17.448 0.675 -4.887 93 HB2 ALA 13 HB2 ALA 13 16.396 -0.111 -3.685 94 HB3 ALA 13 HB3 ALA 13 17.115 1.479 -3.334 95 H LEU 14 H LEU 14 19.319 1.685 -1.650 96 HA LEU 14 HA LEU 14 21.296 2.844 -3.521 97 HB2 LEU 14 HB3 LEU 14 19.981 4.180 -1.910 98 HB3 LEU 14 HB2 LEU 14 20.668 3.254 -0.556 99 HG LEU 14 HG LEU 14 22.972 4.021 -1.367 100 HD11 LEU 14 HD11 LEU 14 22.267 4.676 -3.651 101 HD12 LEU 14 HD12 LEU 14 21.228 5.948 -2.964 102 HD13 LEU 14 HD13 LEU 14 22.996 6.051 -2.787 103 HD21 LEU 14 HD21 LEU 14 21.821 5.021 0.590 104 HD22 LEU 14 HD22 LEU 14 22.737 6.252 -0.312 105 HD23 LEU 14 HD23 LEU 14 20.969 6.150 -0.490 106 H LYS 15 H LYS 15 21.480 1.106 -0.364 107 HA LYS 15 HA LYS 15 24.343 0.992 -0.192 108 HB2 LYS 15 HB3 LYS 15 22.080 0.092 1.204 109 HB3 LYS 15 HB2 LYS 15 22.915 -1.412 0.750 110 HG2 LYS 15 HG2 LYS 15 24.580 -1.037 2.243 111 HG3 LYS 15 HG3 LYS 15 24.796 0.638 1.681 112 HD2 LYS 15 HD3 LYS 15 22.569 -0.282 3.552 113 HD3 LYS 15 HD2 LYS 15 24.080 0.490 4.088 114 HE2 LYS 15 HE3 LYS 15 22.652 1.941 1.916 115 HE3 LYS 15 HE2 LYS 15 21.790 1.891 3.481 116 HZ1 LYS 15 HZ1 LYS 15 23.400 3.703 3.402 117 HZ2 LYS 15 HZ2 LYS 15 23.841 2.597 4.544 118 HZ3 LYS 15 HZ3 LYS 15 24.628 2.645 3.095 119 H ASN 16 H ASN 16 22.056 -0.882 -2.128 120 HA ASN 16 HA ASN 16 23.914 -3.068 -2.763 121 HB2 ASN 16 HB3 ASN 16 21.324 -1.931 -3.883 122 HB3 ASN 16 HB2 ASN 16 22.145 -3.299 -4.672 123 HD21 ASN 16 HD21 ASN 16 23.033 -4.892 -2.632 124 HD22 ASN 16 HD22 ASN 16 21.709 -5.381 -1.599 125 H LEU 17 H LEU 17 23.067 0.067 -4.256 126 HA LEU 17 HA LEU 17 24.613 -0.393 -6.705 127 HB2 LEU 17 HB3 LEU 17 22.718 1.211 -6.434 128 HB3 LEU 17 HB2 LEU 17 23.694 2.157 -5.286 129 HG LEU 17 HG LEU 17 25.459 2.234 -7.221 130 HD11 LEU 17 HD11 LEU 17 24.316 0.561 -8.652 131 HD12 LEU 17 HD12 LEU 17 24.432 2.134 -9.476 132 HD13 LEU 17 HD13 LEU 17 22.890 1.621 -8.751 133 HD21 LEU 17 HD21 LEU 17 24.351 4.249 -8.153 134 HD22 LEU 17 HD22 LEU 17 24.178 4.185 -6.382 135 HD23 LEU 17 HD23 LEU 17 22.808 3.736 -7.427 136 H ILE 18 H ILE 18 25.273 1.130 -3.544 137 HA ILE 18 HA ILE 18 28.022 1.909 -4.418 138 HB ILE 18 HB ILE 18 28.076 2.858 -2.109 139 HG12 ILE 18 HG13 ILE 18 25.372 2.509 -1.294 140 HG13 ILE 18 HG12 ILE 18 25.971 0.890 -1.727 141 HG21 ILE 18 HG21 ILE 18 26.196 4.449 -2.396 142 HG22 ILE 18 HG22 ILE 18 25.462 3.363 -3.600 143 HG23 ILE 18 HG23 ILE 18 27.023 4.147 -3.942 144 HD11 ILE 18 HD11 ILE 18 26.437 1.404 0.654 145 HD12 ILE 18 HD12 ILE 18 27.349 2.851 0.163 146 HD13 ILE 18 HD13 ILE 18 27.948 1.232 -0.270 147 H LYS 19 H LYS 19 26.407 -0.725 -2.755 148 HA LYS 19 HA LYS 19 28.925 -2.260 -2.653 149 HB2 LYS 19 HB3 LYS 19 28.857 -0.526 -0.681 150 HB3 LYS 19 HB2 LYS 19 27.634 -1.613 0.019 151 HG2 LYS 19 HG2 LYS 19 30.144 -2.879 -1.017 152 HG3 LYS 19 HG3 LYS 19 30.280 -1.923 0.479 153 HD2 LYS 19 HD2 LYS 19 28.182 -3.252 1.267 154 HD3 LYS 19 HD3 LYS 19 28.571 -4.373 -0.060 155 HE2 LYS 19 HE3 LYS 19 30.381 -5.229 1.054 156 HE3 LYS 19 HE2 LYS 19 30.907 -3.619 1.627 157 HZ1 LYS 19 HZ1 LYS 19 30.047 -4.979 3.442 158 HZ2 LYS 19 HZ2 LYS 19 28.600 -5.156 2.671 159 HZ3 LYS 19 HZ3 LYS 19 29.075 -3.668 3.202 160 HN1 NH2 20 H1 NH2 20 27.351 -3.661 -3.906 161 HN2 NH2 20 H2 NH2 20 26.188 -4.620 -3.020 Start of MODEL 2 1 H1 ACE 1 HH31 ACE 1 -2.245 -1.629 3.648 2 H2 ACE 1 HH32 ACE 1 -1.906 -1.855 1.916 3 H3 ACE 1 HH33 ACE 1 -1.490 -0.318 2.711 4 H ILE 2 H ILE 2 0.599 -1.263 1.455 5 HA ILE 2 HA ILE 2 2.264 -2.541 3.639 6 HB ILE 2 HB ILE 2 3.312 -3.929 1.818 7 HG12 ILE 2 HG13 ILE 2 1.002 -3.288 0.008 8 HG13 ILE 2 HG12 ILE 2 2.340 -2.116 0.076 9 HG21 ILE 2 HG21 ILE 2 1.459 -4.835 3.193 10 HG22 ILE 2 HG22 ILE 2 1.389 -5.463 1.529 11 HG23 ILE 2 HG23 ILE 2 0.278 -4.169 2.040 12 HD11 ILE 2 HD11 ILE 2 2.722 -3.801 -1.703 13 HD12 ILE 2 HD12 ILE 2 3.954 -3.930 -0.425 14 HD13 ILE 2 HD13 ILE 2 2.617 -5.102 -0.493 15 H PHE 3 H PHE 3 1.908 0.277 2.500 16 HA PHE 3 HA PHE 3 4.192 0.956 0.860 17 HB2 PHE 3 HB2 PHE 3 2.167 2.359 1.348 18 HB3 PHE 3 HB3 PHE 3 2.745 2.567 3.019 19 HD1 PHE 3 HD1 PHE 3 4.127 2.821 -0.477 20 HD2 PHE 3 HD2 PHE 3 3.916 4.525 3.460 21 HE1 PHE 3 HE1 PHE 3 5.571 4.696 -1.214 22 HE2 PHE 3 HE2 PHE 3 5.361 6.402 2.723 23 HZ PHE 3 HZ PHE 3 6.185 6.491 0.386 24 H GLY 4 H GLY 4 3.775 0.673 4.402 25 HA2 GLY 4 HA2 GLY 4 6.329 1.782 5.145 26 HA3 GLY 4 HA3 GLY 4 5.402 0.612 6.114 27 H ALA 5 H ALA 5 5.486 -1.216 3.599 28 HA ALA 5 HA ALA 5 8.051 -2.544 4.384 29 HB1 ALA 5 HB1 ALA 5 7.081 -4.378 2.989 30 HB2 ALA 5 HB2 ALA 5 5.906 -3.780 4.184 31 HB3 ALA 5 HB3 ALA 5 5.773 -3.283 2.480 32 H ILE 6 H ILE 6 6.814 -0.491 1.850 33 HA ILE 6 HA ILE 6 8.788 -1.394 -0.181 34 HB ILE 6 HB ILE 6 6.925 1.023 0.025 35 HG12 ILE 6 HG13 ILE 6 5.730 -1.144 0.118 36 HG13 ILE 6 HG12 ILE 6 5.433 -0.323 -1.432 37 HG21 ILE 6 HG21 ILE 6 8.337 1.650 -1.703 38 HG22 ILE 6 HG22 ILE 6 8.764 -0.031 -2.106 39 HG23 ILE 6 HG23 ILE 6 7.194 0.635 -2.615 40 HD11 ILE 6 HD11 ILE 6 5.954 -2.441 -2.219 41 HD12 ILE 6 HD12 ILE 6 7.588 -1.739 -2.170 42 HD13 ILE 6 HD13 ILE 6 7.035 -2.799 -0.851 43 H TRP 7 H TRP 7 8.459 1.223 2.215 44 HA TRP 7 HA TRP 7 10.608 2.894 1.241 45 HB2 TRP 7 HB2 TRP 7 8.762 2.769 3.387 46 HB3 TRP 7 HB3 TRP 7 10.367 2.817 4.154 47 HD1 TRP 7 HD1 TRP 7 7.819 5.057 2.850 48 HE1 TRP 7 HE1 TRP 7 8.752 7.408 2.341 49 HE3 TRP 7 HE3 TRP 7 12.813 4.001 2.995 50 HZ2 TRP 7 HZ2 TRP 7 11.338 8.649 2.034 51 HZ3 TRP 7 HZ3 TRP 7 14.489 5.782 2.589 52 HH2 TRP 7 HH2 TRP 7 13.758 8.102 2.112 53 HA PRO 8 HA PRO 8 13.347 0.398 4.490 54 HB2 PRO 8 HB2 PRO 8 11.988 -2.256 4.178 55 HB3 PRO 8 HB3 PRO 8 12.683 -1.497 5.639 56 HG2 PRO 8 HG2 PRO 8 10.016 -1.665 5.194 57 HG3 PRO 8 HG3 PRO 8 10.773 -0.336 6.111 58 HD2 PRO 8 HD2 PRO 8 9.592 -0.325 3.383 59 HD3 PRO 8 HD3 PRO 8 9.795 1.011 4.555 60 H LEU 9 H LEU 9 11.736 -0.990 1.642 61 HA LEU 9 HA LEU 9 14.126 -2.474 0.741 62 HB2 LEU 9 HB2 LEU 9 11.428 -1.657 -0.408 63 HB3 LEU 9 HB3 LEU 9 12.631 -2.519 -1.397 64 HG LEU 9 HG LEU 9 11.904 -3.572 1.342 65 HD11 LEU 9 HD11 LEU 9 10.442 -4.622 -1.055 66 HD12 LEU 9 HD12 LEU 9 9.883 -3.073 -0.381 67 HD13 LEU 9 HD13 LEU 9 9.922 -4.527 0.645 68 HD21 LEU 9 HD21 LEU 9 12.495 -5.717 0.244 69 HD22 LEU 9 HD22 LEU 9 13.816 -4.534 0.091 70 HD23 LEU 9 HD23 LEU 9 12.748 -4.859 -1.295 71 H ALA 10 H ALA 10 12.829 0.783 0.362 72 HA ALA 10 HA ALA 10 14.326 1.505 -2.038 73 HB1 ALA 10 HB1 ALA 10 13.335 3.570 -1.638 74 HB2 ALA 10 HB2 ALA 10 13.666 3.503 0.110 75 HB3 ALA 10 HB3 ALA 10 12.313 2.572 -0.576 76 H LEU 11 H LEU 11 15.101 1.394 1.416 77 HA LEU 11 HA LEU 11 17.553 3.021 1.162 78 HB2 LEU 11 HB2 LEU 11 16.039 1.439 3.197 79 HB3 LEU 11 HB3 LEU 11 17.788 1.593 3.491 80 HG LEU 11 HG LEU 11 16.025 3.980 2.815 81 HD11 LEU 11 HD11 LEU 11 15.192 2.912 4.894 82 HD12 LEU 11 HD12 LEU 11 16.001 4.457 5.249 83 HD13 LEU 11 HD13 LEU 11 16.843 2.920 5.559 84 HD21 LEU 11 HD21 LEU 11 17.914 5.221 3.836 85 HD22 LEU 11 HD22 LEU 11 18.756 3.684 4.147 86 HD23 LEU 11 HD23 LEU 11 18.471 4.219 2.474 87 H GLY 12 H GLY 12 16.692 -0.369 0.756 88 HA2 GLY 12 HA2 GLY 12 19.482 -1.319 1.014 89 HA3 GLY 12 HA3 GLY 12 18.089 -2.279 0.462 90 H ALA 13 H ALA 13 17.278 -0.343 -1.599 91 HA ALA 13 HA ALA 13 18.818 -1.355 -3.821 92 HB1 ALA 13 HB1 ALA 13 17.545 0.400 -5.062 93 HB2 ALA 13 HB2 ALA 13 17.103 1.159 -3.514 94 HB3 ALA 13 HB3 ALA 13 16.499 -0.468 -3.912 95 H LEU 14 H LEU 14 19.157 1.550 -1.808 96 HA LEU 14 HA LEU 14 21.185 2.789 -3.567 97 HB2 LEU 14 HB3 LEU 14 19.661 4.064 -2.088 98 HB3 LEU 14 HB2 LEU 14 20.326 3.231 -0.663 99 HG LEU 14 HG LEU 14 22.617 4.147 -1.372 100 HD11 LEU 14 HD11 LEU 14 21.986 4.705 -3.704 101 HD12 LEU 14 HD12 LEU 14 22.563 6.147 -2.834 102 HD13 LEU 14 HD13 LEU 14 20.819 5.906 -3.100 103 HD21 LEU 14 HD21 LEU 14 21.292 5.090 0.500 104 HD22 LEU 14 HD22 LEU 14 20.414 6.130 -0.647 105 HD23 LEU 14 HD23 LEU 14 22.157 6.372 -0.381 106 H LYS 15 H LYS 15 21.244 1.161 -0.350 107 HA LYS 15 HA LYS 15 24.077 1.234 0.059 108 HB2 LYS 15 HB2 LYS 15 21.780 0.212 1.278 109 HB3 LYS 15 HB3 LYS 15 22.712 -1.255 0.895 110 HG2 LYS 15 HG2 LYS 15 23.902 -0.822 2.776 111 HG3 LYS 15 HG3 LYS 15 24.644 0.518 1.869 112 HD2 LYS 15 HD3 LYS 15 22.016 0.806 3.379 113 HD3 LYS 15 HD2 LYS 15 23.597 1.146 4.122 114 HE2 LYS 15 HE2 LYS 15 24.031 2.726 2.125 115 HE3 LYS 15 HE3 LYS 15 22.290 2.554 1.758 116 HZ1 LYS 15 HZ1 LYS 15 22.702 4.385 3.292 117 HZ2 LYS 15 HZ2 LYS 15 21.810 3.206 4.024 118 HZ3 LYS 15 HZ3 LYS 15 23.415 3.362 4.372 119 H ASN 16 H ASN 16 22.108 -0.835 -2.028 120 HA ASN 16 HA ASN 16 24.247 -2.824 -2.482 121 HB2 ASN 16 HB2 ASN 16 21.570 -2.092 -3.736 122 HB3 ASN 16 HB3 ASN 16 22.583 -3.400 -4.393 123 HD21 ASN 16 HD21 ASN 16 19.922 -3.724 -3.111 124 HD22 ASN 16 HD22 ASN 16 20.187 -4.727 -1.702 125 H LEU 17 H LEU 17 23.179 0.215 -3.952 126 HA LEU 17 HA LEU 17 24.733 -0.148 -6.433 127 HB2 LEU 17 HB2 LEU 17 22.673 1.259 -6.148 128 HB3 LEU 17 HB3 LEU 17 23.586 2.334 -5.062 129 HG LEU 17 HG LEU 17 24.950 1.821 -7.633 130 HD11 LEU 17 HD11 LEU 17 22.599 1.792 -8.426 131 HD12 LEU 17 HD12 LEU 17 22.298 3.331 -7.584 132 HD13 LEU 17 HD13 LEU 17 23.434 3.273 -8.953 133 HD21 LEU 17 HD21 LEU 17 25.645 3.527 -5.971 134 HD22 LEU 17 HD22 LEU 17 25.211 4.284 -7.522 135 HD23 LEU 17 HD23 LEU 17 24.074 4.343 -6.153 136 H ILE 18 H ILE 18 25.333 1.157 -3.203 137 HA ILE 18 HA ILE 18 27.898 2.426 -4.088 138 HB ILE 18 HB ILE 18 27.938 3.104 -1.668 139 HG12 ILE 18 HG12 ILE 18 25.194 1.862 -1.384 140 HG13 ILE 18 HG13 ILE 18 26.646 0.888 -1.052 141 HG21 ILE 18 HG21 ILE 18 26.722 4.471 -3.343 142 HG22 ILE 18 HG22 ILE 18 25.911 4.522 -1.760 143 HG23 ILE 18 HG23 ILE 18 25.254 3.503 -3.064 144 HD11 ILE 18 HD11 ILE 18 25.814 1.977 1.014 145 HD12 ILE 18 HD12 ILE 18 25.969 3.570 0.236 146 HD13 ILE 18 HD13 ILE 18 27.422 2.597 0.568 147 H LYS 19 H LYS 19 26.729 -0.554 -2.656 148 HA LYS 19 HA LYS 19 29.578 -1.299 -1.924 149 HB2 LYS 19 HB3 LYS 19 27.247 -1.347 -0.459 150 HB3 LYS 19 HB2 LYS 19 27.265 -3.001 -1.116 151 HG2 LYS 19 HG3 LYS 19 29.736 -1.785 0.160 152 HG3 LYS 19 HG2 LYS 19 28.486 -2.585 1.143 153 HD2 LYS 19 HD2 LYS 19 28.909 -4.683 0.220 154 HD3 LYS 19 HD3 LYS 19 29.535 -4.004 -1.302 155 HE2 LYS 19 HE2 LYS 19 31.098 -3.323 1.159 156 HE3 LYS 19 HE3 LYS 19 31.158 -5.030 0.632 157 HZ1 LYS 19 HZ1 LYS 19 32.792 -3.678 -0.539 158 HZ2 LYS 19 HZ2 LYS 19 31.606 -2.686 -1.114 159 HZ3 LYS 19 HZ3 LYS 19 31.665 -4.264 -1.591 160 HN1 NH2 20 H1 NH2 20 30.324 -2.101 -3.992 161 HN2 NH2 20 H2 NH2 20 29.584 -3.477 -4.778 Start of MODEL 3 1 H1 ACE 1 HH31 ACE 1 -1.349 -1.358 4.962 2 H2 ACE 1 HH32 ACE 1 -0.999 -0.422 3.490 3 H3 ACE 1 HH33 ACE 1 -1.620 -2.085 3.360 4 H ILE 2 H ILE 2 0.554 -1.833 1.933 5 HA ILE 2 HA ILE 2 2.719 -3.070 3.653 6 HB ILE 2 HB ILE 2 2.178 -3.142 0.642 7 HG12 ILE 2 HG12 ILE 2 1.704 -5.285 2.759 8 HG13 ILE 2 HG13 ILE 2 0.426 -4.237 2.100 9 HG21 ILE 2 HG21 ILE 2 3.693 -5.356 1.310 10 HG22 ILE 2 HG22 ILE 2 4.346 -3.849 0.623 11 HG23 ILE 2 HG23 ILE 2 4.371 -4.108 2.384 12 HD11 ILE 2 HD11 ILE 2 0.499 -6.408 0.905 13 HD12 ILE 2 HD12 ILE 2 2.201 -6.115 0.476 14 HD13 ILE 2 HD13 ILE 2 0.924 -5.066 -0.184 15 H PHE 3 H PHE 3 2.155 -0.089 3.158 16 HA PHE 3 HA PHE 3 4.209 0.927 1.361 17 HB2 PHE 3 HB2 PHE 3 2.196 2.148 2.236 18 HB3 PHE 3 HB3 PHE 3 2.932 2.148 3.858 19 HD1 PHE 3 HD1 PHE 3 4.010 4.116 4.453 20 HD2 PHE 3 HD2 PHE 3 4.008 2.920 0.329 21 HE1 PHE 3 HE1 PHE 3 5.307 6.146 3.864 22 HE2 PHE 3 HE2 PHE 3 5.306 4.948 -0.262 23 HZ PHE 3 HZ PHE 3 5.957 6.561 1.506 24 H GLY 4 H GLY 4 4.161 0.127 4.846 25 HA2 GLY 4 HA2 GLY 4 6.744 1.246 5.484 26 HA3 GLY 4 HA3 GLY 4 5.949 -0.071 6.378 27 H ALA 5 H ALA 5 5.849 -1.531 3.609 28 HA ALA 5 HA ALA 5 8.516 -2.850 3.993 29 HB1 ALA 5 HB1 ALA 5 7.347 -4.682 3.285 30 HB2 ALA 5 HB2 ALA 5 6.695 -3.814 1.874 31 HB3 ALA 5 HB3 ALA 5 5.898 -3.663 3.458 32 H ILE 6 H ILE 6 6.920 -0.619 1.819 33 HA ILE 6 HA ILE 6 8.752 -1.182 -0.457 34 HB ILE 6 HB ILE 6 6.764 1.069 0.124 35 HG12 ILE 6 HG12 ILE 6 6.390 -1.445 -1.557 36 HG13 ILE 6 HG13 ILE 6 5.851 -1.310 0.134 37 HG21 ILE 6 HG21 ILE 6 8.400 1.615 -1.660 38 HG22 ILE 6 HG22 ILE 6 6.774 1.362 -2.338 39 HG23 ILE 6 HG23 ILE 6 8.008 0.087 -2.486 40 HD11 ILE 6 HD11 ILE 6 4.003 -0.780 -1.434 41 HD12 ILE 6 HD12 ILE 6 4.451 0.647 -0.470 42 HD13 ILE 6 HD13 ILE 6 4.990 0.511 -2.161 43 H TRP 7 H TRP 7 8.558 1.046 2.290 44 HA TRP 7 HA TRP 7 10.456 3.008 1.265 45 HB2 TRP 7 HB3 TRP 7 8.847 2.504 3.572 46 HB3 TRP 7 HB2 TRP 7 10.518 2.708 4.153 47 HD1 TRP 7 HD1 TRP 7 7.602 4.706 3.459 48 HE1 TRP 7 HE1 TRP 7 8.173 7.175 2.982 49 HE3 TRP 7 HE3 TRP 7 12.618 4.233 2.628 50 HZ2 TRP 7 HZ2 TRP 7 10.515 8.725 2.320 51 HZ3 TRP 7 HZ3 TRP 7 13.994 6.218 2.072 52 HH2 TRP 7 HH2 TRP 7 12.950 8.462 1.923 53 HA PRO 8 HA PRO 8 13.645 0.447 3.975 54 HB2 PRO 8 HB2 PRO 8 12.426 -2.269 3.665 55 HB3 PRO 8 HB3 PRO 8 13.200 -1.526 5.093 56 HG2 PRO 8 HG2 PRO 8 10.522 -1.872 4.878 57 HG3 PRO 8 HG3 PRO 8 11.268 -0.537 5.795 58 HD2 PRO 8 HD2 PRO 8 9.859 -0.484 3.174 59 HD3 PRO 8 HD3 PRO 8 10.042 0.797 4.408 60 H LEU 9 H LEU 9 11.810 -0.723 1.188 61 HA LEU 9 HA LEU 9 14.094 -2.148 -0.034 62 HB2 LEU 9 HB3 LEU 9 11.441 -2.310 -0.294 63 HB3 LEU 9 HB2 LEU 9 11.705 -1.067 -1.541 64 HG LEU 9 HG LEU 9 13.279 -3.671 -1.446 65 HD11 LEU 9 HD11 LEU 9 10.862 -4.167 -1.710 66 HD12 LEU 9 HD12 LEU 9 11.747 -4.471 -3.224 67 HD13 LEU 9 HD13 LEU 9 10.769 -2.994 -3.046 68 HD21 LEU 9 HD21 LEU 9 13.126 -2.787 -4.054 69 HD22 LEU 9 HD22 LEU 9 13.165 -1.251 -3.157 70 HD23 LEU 9 HD23 LEU 9 14.475 -2.437 -2.947 71 H ALA 10 H ALA 10 12.785 1.138 -0.074 72 HA ALA 10 HA ALA 10 14.138 2.041 -2.493 73 HB1 ALA 10 HB1 ALA 10 13.611 4.280 -1.515 74 HB2 ALA 10 HB2 ALA 10 12.224 3.172 -1.384 75 HB3 ALA 10 HB3 ALA 10 13.238 3.501 0.041 76 H LEU 11 H LEU 11 15.016 2.132 0.986 77 HA LEU 11 HA LEU 11 17.570 3.502 0.520 78 HB2 LEU 11 HB2 LEU 11 16.080 2.112 2.727 79 HB3 LEU 11 HB3 LEU 11 17.836 2.303 2.940 80 HG LEU 11 HG LEU 11 16.174 4.659 2.032 81 HD11 LEU 11 HD11 LEU 11 15.020 3.754 4.031 82 HD12 LEU 11 HD12 LEU 11 15.846 5.285 4.408 83 HD13 LEU 11 HD13 LEU 11 16.565 3.737 4.915 84 HD21 LEU 11 HD21 LEU 11 17.966 5.885 3.232 85 HD22 LEU 11 HD22 LEU 11 18.684 4.337 3.739 86 HD23 LEU 11 HD23 LEU 11 18.651 4.780 2.015 87 H GLY 12 H GLY 12 16.497 0.127 0.562 88 HA2 GLY 12 HA2 GLY 12 19.159 -1.039 0.811 89 HA3 GLY 12 HA3 GLY 12 17.712 -1.871 0.192 90 H ALA 13 H ALA 13 17.194 0.108 -1.915 91 HA ALA 13 HA ALA 13 18.747 -1.065 -4.049 92 HB1 ALA 13 HB1 ALA 13 17.688 0.774 -5.368 93 HB2 ALA 13 HB2 ALA 13 17.236 1.587 -3.851 94 HB3 ALA 13 HB3 ALA 13 16.518 0.011 -4.265 95 H LEU 14 H LEU 14 19.287 1.765 -1.991 96 HA LEU 14 HA LEU 14 21.473 2.824 -3.695 97 HB2 LEU 14 HB3 LEU 14 20.012 4.264 -2.323 98 HB3 LEU 14 HB2 LEU 14 20.502 3.392 -0.851 99 HG LEU 14 HG LEU 14 22.891 4.083 -1.342 100 HD11 LEU 14 HD11 LEU 14 22.586 4.526 -3.766 101 HD12 LEU 14 HD12 LEU 14 21.496 5.878 -3.381 102 HD13 LEU 14 HD13 LEU 14 23.215 5.964 -2.928 103 HD21 LEU 14 HD21 LEU 14 22.564 6.413 -0.555 104 HD22 LEU 14 HD22 LEU 14 20.845 6.323 -1.005 105 HD23 LEU 14 HD23 LEU 14 21.479 5.291 0.299 106 H LYS 15 H LYS 15 21.235 1.203 -0.484 107 HA LYS 15 HA LYS 15 24.068 1.063 0.020 108 HB2 LYS 15 HB3 LYS 15 21.524 -0.122 0.962 109 HB3 LYS 15 HB2 LYS 15 22.928 -1.191 1.194 110 HG2 LYS 15 HG2 LYS 15 22.721 0.203 3.172 111 HG3 LYS 15 HG3 LYS 15 24.139 0.766 2.255 112 HD2 LYS 15 HD3 LYS 15 23.107 2.806 2.608 113 HD3 LYS 15 HD2 LYS 15 22.281 2.334 1.104 114 HE2 LYS 15 HE2 LYS 15 20.290 2.402 2.209 115 HE3 LYS 15 HE3 LYS 15 20.874 1.115 3.303 116 HZ1 LYS 15 HZ1 LYS 15 20.400 3.162 4.508 117 HZ2 LYS 15 HZ2 LYS 15 22.008 2.804 4.586 118 HZ3 LYS 15 HZ3 LYS 15 21.477 3.997 3.579 119 H ASN 16 H ASN 16 22.008 -0.775 -2.149 120 HA ASN 16 HA ASN 16 23.790 -3.111 -2.362 121 HB2 ASN 16 HB2 ASN 16 21.368 -1.940 -3.715 122 HB3 ASN 16 HB3 ASN 16 22.288 -3.180 -4.602 123 HD21 ASN 16 HD21 ASN 16 22.872 -5.201 -3.127 124 HD22 ASN 16 HD22 ASN 16 21.578 -5.757 -2.088 125 H LEU 17 H LEU 17 23.361 -0.046 -4.164 126 HA LEU 17 HA LEU 17 25.245 -0.792 -6.299 127 HB2 LEU 17 HB3 LEU 17 23.717 1.611 -5.323 128 HB3 LEU 17 HB2 LEU 17 25.094 1.906 -6.410 129 HG LEU 17 HG LEU 17 22.952 1.627 -7.661 130 HD11 LEU 17 HD11 LEU 17 25.105 0.979 -8.707 131 HD12 LEU 17 HD12 LEU 17 24.937 -0.660 -8.034 132 HD13 LEU 17 HD13 LEU 17 23.781 -0.077 -9.255 133 HD21 LEU 17 HD21 LEU 17 21.728 -0.425 -7.625 134 HD22 LEU 17 HD22 LEU 17 22.040 -0.034 -5.917 135 HD23 LEU 17 HD23 LEU 17 23.022 -1.269 -6.740 136 H ILE 18 H ILE 18 25.472 0.872 -3.166 137 HA ILE 18 HA ILE 18 28.311 1.647 -3.690 138 HB ILE 18 HB ILE 18 28.056 2.676 -1.436 139 HG12 ILE 18 HG12 ILE 18 25.293 2.324 -0.919 140 HG13 ILE 18 HG13 ILE 18 25.924 0.695 -1.263 141 HG21 ILE 18 HG21 ILE 18 26.203 4.224 -2.003 142 HG22 ILE 18 HG22 ILE 18 25.636 3.087 -3.249 143 HG23 ILE 18 HG23 ILE 18 27.216 3.887 -3.427 144 HD11 ILE 18 HD11 ILE 18 26.135 1.241 1.148 145 HD12 ILE 18 HD12 ILE 18 27.105 2.676 0.738 146 HD13 ILE 18 HD13 ILE 18 27.736 1.048 0.394 147 H LYS 19 H LYS 19 26.501 -0.951 -2.183 148 HA LYS 19 HA LYS 19 29.108 -2.017 -1.043 149 HB2 LYS 19 HB2 LYS 19 26.819 -1.281 0.300 150 HB3 LYS 19 HB3 LYS 19 26.495 -3.005 -0.001 151 HG2 LYS 19 HG2 LYS 19 28.436 -3.694 1.179 152 HG3 LYS 19 HG3 LYS 19 29.167 -2.073 1.099 153 HD2 LYS 19 HD3 LYS 19 27.897 -1.265 2.852 154 HD3 LYS 19 HD2 LYS 19 26.512 -2.316 2.472 155 HE2 LYS 19 HE2 LYS 19 27.635 -4.255 3.437 156 HE3 LYS 19 HE3 LYS 19 29.152 -3.329 3.633 157 HZ1 LYS 19 HZ1 LYS 19 27.837 -3.328 5.670 158 HZ2 LYS 19 HZ2 LYS 19 27.963 -1.800 5.062 159 HZ3 LYS 19 HZ3 LYS 19 26.558 -2.645 4.883 160 HN1 NH2 20 H1 NH2 20 27.746 -5.434 -2.034 161 HN2 NH2 20 H2 NH2 20 28.089 -4.657 -0.504 Start of MODEL 4 1 H1 ACE 1 HH31 ACE 1 -1.282 -0.994 5.090 2 H2 ACE 1 HH32 ACE 1 -1.003 -0.094 3.580 3 H3 ACE 1 HH33 ACE 1 -1.661 -1.746 3.522 4 H ILE 2 H ILE 2 0.429 -1.567 1.962 5 HA ILE 2 HA ILE 2 2.657 -2.831 3.572 6 HB ILE 2 HB ILE 2 3.245 -3.809 1.336 7 HG12 ILE 2 HG12 ILE 2 0.669 -2.880 0.149 8 HG13 ILE 2 HG13 ILE 2 1.949 -1.650 0.277 9 HG21 ILE 2 HG21 ILE 2 1.657 -4.981 2.838 10 HG22 ILE 2 HG22 ILE 2 0.305 -4.084 2.106 11 HG23 ILE 2 HG23 ILE 2 1.236 -5.244 1.129 12 HD11 ILE 2 HD11 ILE 2 2.087 -2.855 -1.887 13 HD12 ILE 2 HD12 ILE 2 3.526 -3.169 -0.888 14 HD13 ILE 2 HD13 ILE 2 2.246 -4.399 -1.017 15 H PHE 3 H PHE 3 2.213 0.133 3.251 16 HA PHE 3 HA PHE 3 4.213 1.096 1.317 17 HB2 PHE 3 HB3 PHE 3 2.215 2.359 2.172 18 HB3 PHE 3 HB2 PHE 3 2.964 2.397 3.787 19 HD1 PHE 3 HD1 PHE 3 4.010 4.398 4.312 20 HD2 PHE 3 HD2 PHE 3 4.069 3.032 0.240 21 HE1 PHE 3 HE1 PHE 3 5.322 6.400 3.659 22 HE2 PHE 3 HE2 PHE 3 5.381 5.033 -0.413 23 HZ PHE 3 HZ PHE 3 6.005 6.718 1.296 24 H GLY 4 H GLY 4 4.174 0.373 4.818 25 HA2 GLY 4 HA3 GLY 4 6.794 1.477 5.383 26 HA3 GLY 4 HA2 GLY 4 5.960 0.246 6.359 27 H ALA 5 H ALA 5 5.806 -1.330 3.629 28 HA ALA 5 HA ALA 5 8.395 -2.764 4.117 29 HB1 ALA 5 HB1 ALA 5 7.286 -4.468 2.664 30 HB2 ALA 5 HB2 ALA 5 5.958 -3.324 2.355 31 HB3 ALA 5 HB3 ALA 5 6.222 -3.959 3.997 32 H ILE 6 H ILE 6 6.928 -0.574 1.802 33 HA ILE 6 HA ILE 6 8.789 -1.303 -0.397 34 HB ILE 6 HB ILE 6 6.850 1.016 0.069 35 HG12 ILE 6 HG13 ILE 6 6.523 -1.514 -1.602 36 HG13 ILE 6 HG12 ILE 6 5.886 -1.330 0.050 37 HG21 ILE 6 HG21 ILE 6 8.571 1.535 -1.643 38 HG22 ILE 6 HG22 ILE 6 8.195 0.012 -2.482 39 HG23 ILE 6 HG23 ILE 6 6.973 1.303 -2.392 40 HD11 ILE 6 HD11 ILE 6 4.149 -0.801 -1.638 41 HD12 ILE 6 HD12 ILE 6 4.567 0.638 -0.677 42 HD13 ILE 6 HD13 ILE 6 5.204 0.455 -2.329 43 H TRP 7 H TRP 7 8.598 1.095 2.213 44 HA TRP 7 HA TRP 7 10.611 2.913 1.170 45 HB2 TRP 7 HB2 TRP 7 8.963 2.525 3.492 46 HB3 TRP 7 HB3 TRP 7 10.635 2.756 4.057 47 HD1 TRP 7 HD1 TRP 7 7.731 4.728 3.317 48 HE1 TRP 7 HE1 TRP 7 8.298 7.165 2.692 49 HE3 TRP 7 HE3 TRP 7 12.720 4.184 2.389 50 HZ2 TRP 7 HZ2 TRP 7 10.630 8.665 1.891 51 HZ3 TRP 7 HZ3 TRP 7 14.091 6.128 1.691 52 HH2 TRP 7 HH2 TRP 7 13.054 8.367 1.447 53 HA PRO 8 HA PRO 8 13.632 0.331 4.075 54 HB2 PRO 8 HB3 PRO 8 12.301 -2.333 3.750 55 HB3 PRO 8 HB2 PRO 8 13.090 -1.629 5.190 56 HG2 PRO 8 HG2 PRO 8 10.401 -1.839 4.923 57 HG3 PRO 8 HG3 PRO 8 11.192 -0.538 5.851 58 HD2 PRO 8 HD2 PRO 8 9.816 -0.420 3.221 59 HD3 PRO 8 HD3 PRO 8 10.087 0.864 4.437 60 H LEU 9 H LEU 9 11.844 -0.895 1.269 61 HA LEU 9 HA LEU 9 14.148 -2.359 0.142 62 HB2 LEU 9 HB2 LEU 9 11.512 -2.538 -0.177 63 HB3 LEU 9 HB3 LEU 9 11.789 -1.313 -1.438 64 HG LEU 9 HG LEU 9 13.570 -2.829 -2.407 65 HD11 LEU 9 HD11 LEU 9 14.010 -4.133 -0.344 66 HD12 LEU 9 HD12 LEU 9 13.545 -5.202 -1.689 67 HD13 LEU 9 HD13 LEU 9 12.363 -4.806 -0.419 68 HD21 LEU 9 HD21 LEU 9 11.943 -4.397 -3.429 69 HD22 LEU 9 HD22 LEU 9 10.762 -3.999 -2.158 70 HD23 LEU 9 HD23 LEU 9 11.269 -2.753 -3.325 71 H ALA 10 H ALA 10 12.862 0.928 -0.007 72 HA ALA 10 HA ALA 10 14.373 1.723 -2.402 73 HB1 ALA 10 HB1 ALA 10 13.649 3.990 -1.637 74 HB2 ALA 10 HB2 ALA 10 13.146 3.292 -0.079 75 HB3 ALA 10 HB3 ALA 10 12.304 2.826 -1.577 76 H LEU 11 H LEU 11 14.968 1.700 1.100 77 HA LEU 11 HA LEU 11 17.427 3.331 0.904 78 HB2 LEU 11 HB2 LEU 11 15.811 1.837 2.935 79 HB3 LEU 11 HB3 LEU 11 17.535 2.058 3.318 80 HG LEU 11 HG LEU 11 16.039 4.439 2.272 81 HD11 LEU 11 HD11 LEU 11 15.191 4.959 4.544 82 HD12 LEU 11 HD12 LEU 11 15.770 3.379 5.122 83 HD13 LEU 11 HD13 LEU 11 14.462 3.461 3.918 84 HD21 LEU 11 HD21 LEU 11 17.527 5.577 3.899 85 HD22 LEU 11 HD22 LEU 11 18.102 3.995 4.478 86 HD23 LEU 11 HD23 LEU 11 18.459 4.517 2.814 87 H GLY 12 H GLY 12 16.576 -0.096 0.753 88 HA2 GLY 12 HA2 GLY 12 19.354 -1.017 1.156 89 HA3 GLY 12 HA3 GLY 12 17.981 -2.017 0.625 90 H ALA 13 H ALA 13 17.254 -0.210 -1.588 91 HA ALA 13 HA ALA 13 18.851 -1.378 -3.689 92 HB1 ALA 13 HB1 ALA 13 17.639 0.309 -5.079 93 HB2 ALA 13 HB2 ALA 13 16.547 -0.472 -3.910 94 HB3 ALA 13 HB3 ALA 13 17.159 1.170 -3.597 95 H LEU 14 H LEU 14 19.238 1.567 -1.776 96 HA LEU 14 HA LEU 14 21.266 2.750 -3.575 97 HB2 LEU 14 HB2 LEU 14 19.769 4.065 -2.099 98 HB3 LEU 14 HB3 LEU 14 20.452 3.257 -0.669 99 HG LEU 14 HG LEU 14 22.722 4.150 -1.345 100 HD11 LEU 14 HD11 LEU 14 22.203 4.504 -3.743 101 HD12 LEU 14 HD12 LEU 14 21.026 5.764 -3.303 102 HD13 LEU 14 HD13 LEU 14 22.759 6.013 -2.980 103 HD21 LEU 14 HD21 LEU 14 22.247 6.462 -0.578 104 HD22 LEU 14 HD22 LEU 14 21.327 5.272 0.372 105 HD23 LEU 14 HD23 LEU 14 20.515 6.213 -0.902 106 H LYS 15 H LYS 15 21.349 1.181 -0.324 107 HA LYS 15 HA LYS 15 24.193 1.228 0.022 108 HB2 LYS 15 HB2 LYS 15 21.830 0.065 1.193 109 HB3 LYS 15 HB3 LYS 15 23.060 -1.214 1.060 110 HG2 LYS 15 HG2 LYS 15 23.367 -0.087 3.195 111 HG3 LYS 15 HG3 LYS 15 24.717 0.370 2.129 112 HD2 LYS 15 HD3 LYS 15 23.930 2.397 3.177 113 HD3 LYS 15 HD2 LYS 15 23.370 2.435 1.488 114 HE2 LYS 15 HE2 LYS 15 21.152 2.247 2.094 115 HE3 LYS 15 HE3 LYS 15 21.520 1.122 3.434 116 HZ1 LYS 15 HZ1 LYS 15 20.888 3.312 4.256 117 HZ2 LYS 15 HZ2 LYS 15 22.452 2.974 4.653 118 HZ3 LYS 15 HZ3 LYS 15 22.122 4.018 3.419 119 H ASN 16 H ASN 16 22.112 -0.990 -1.826 120 HA ASN 16 HA ASN 16 24.159 -3.016 -2.308 121 HB2 ASN 16 HB2 ASN 16 21.514 -2.148 -3.506 122 HB3 ASN 16 HB3 ASN 16 22.480 -3.400 -4.323 123 HD21 ASN 16 HD21 ASN 16 21.508 -2.611 -0.900 124 HD22 ASN 16 HD22 ASN 16 21.097 -4.263 -0.497 125 H LEU 17 H LEU 17 23.143 -0.048 -4.026 126 HA LEU 17 HA LEU 17 24.775 -0.502 -6.398 127 HB2 LEU 17 HB2 LEU 17 22.804 1.085 -6.037 128 HB3 LEU 17 HB3 LEU 17 23.911 2.134 -5.119 129 HG LEU 17 HG LEU 17 25.394 1.701 -7.376 130 HD11 LEU 17 HD11 LEU 17 23.570 0.400 -8.440 131 HD12 LEU 17 HD12 LEU 17 22.466 1.780 -8.233 132 HD13 LEU 17 HD13 LEU 17 23.869 1.918 -9.319 133 HD21 LEU 17 HD21 LEU 17 24.868 3.883 -6.322 134 HD22 LEU 17 HD22 LEU 17 24.627 3.949 -8.084 135 HD23 LEU 17 HD23 LEU 17 23.223 3.812 -6.999 136 H ILE 18 H ILE 18 25.391 1.003 -3.229 137 HA ILE 18 HA ILE 18 28.113 1.885 -4.113 138 HB ILE 18 HB ILE 18 28.133 2.853 -1.808 139 HG12 ILE 18 HG13 ILE 18 25.299 1.819 -1.486 140 HG13 ILE 18 HG12 ILE 18 26.692 0.867 -0.918 141 HG21 ILE 18 HG21 ILE 18 27.070 4.099 -3.670 142 HG22 ILE 18 HG22 ILE 18 26.237 4.409 -2.128 143 HG23 ILE 18 HG23 ILE 18 25.520 3.297 -3.319 144 HD11 ILE 18 HD11 ILE 18 25.791 2.296 0.898 145 HD12 ILE 18 HD12 ILE 18 26.051 3.740 -0.109 146 HD13 ILE 18 HD13 ILE 18 27.444 2.788 0.458 147 H LYS 19 H LYS 19 26.571 -0.759 -2.381 148 HA LYS 19 HA LYS 19 29.311 -1.727 -1.503 149 HB2 LYS 19 HB2 LYS 19 26.994 -1.290 -0.071 150 HB3 LYS 19 HB3 LYS 19 26.823 -3.013 -0.482 151 HG2 LYS 19 HG2 LYS 19 28.111 -3.293 1.398 152 HG3 LYS 19 HG3 LYS 19 29.443 -2.967 0.263 153 HD2 LYS 19 HD3 LYS 19 29.867 -0.908 1.160 154 HD3 LYS 19 HD2 LYS 19 28.139 -0.545 1.386 155 HE2 LYS 19 HE2 LYS 19 28.875 -0.762 3.619 156 HE3 LYS 19 HE3 LYS 19 28.318 -2.424 3.267 157 HZ1 LYS 19 HZ1 LYS 19 30.580 -2.406 4.134 158 HZ2 LYS 19 HZ2 LYS 19 30.559 -2.966 2.582 159 HZ3 LYS 19 HZ3 LYS 19 31.080 -1.433 2.899 160 HN1 NH2 20 H1 NH2 20 26.117 -3.167 -2.514 161 HN2 NH2 20 H2 NH2 20 26.836 -4.420 -3.501 Start of MODEL 5 1 H1 ACE 1 HH31 ACE 1 -1.478 -1.568 3.615 2 H2 ACE 1 HH32 ACE 1 -1.075 -0.891 2.018 3 H3 ACE 1 HH33 ACE 1 -1.574 -2.594 2.164 4 H ILE 2 H ILE 2 0.686 -2.437 0.858 5 HA ILE 2 HA ILE 2 2.741 -3.324 2.871 6 HB ILE 2 HB ILE 2 2.555 -3.515 -0.179 7 HG12 ILE 2 HG12 ILE 2 2.111 -5.687 1.912 8 HG13 ILE 2 HG13 ILE 2 0.783 -4.732 1.209 9 HG21 ILE 2 HG21 ILE 2 4.199 -5.545 0.640 10 HG22 ILE 2 HG22 ILE 2 4.788 -3.957 0.093 11 HG23 ILE 2 HG23 ILE 2 4.612 -4.290 1.833 12 HD11 ILE 2 HD11 ILE 2 1.092 -6.865 -0.019 13 HD12 ILE 2 HD12 ILE 2 2.782 -6.425 -0.359 14 HD13 ILE 2 HD13 ILE 2 1.455 -5.470 -1.062 15 H PHE 3 H PHE 3 1.961 -0.394 1.927 16 HA PHE 3 HA PHE 3 4.225 0.688 0.493 17 HB2 PHE 3 HB3 PHE 3 2.004 1.779 0.954 18 HB3 PHE 3 HB2 PHE 3 2.474 1.947 2.663 19 HD1 PHE 3 HD1 PHE 3 3.486 3.936 3.322 20 HD2 PHE 3 HD2 PHE 3 3.838 2.677 -0.770 21 HE1 PHE 3 HE1 PHE 3 4.701 6.032 2.782 22 HE2 PHE 3 HE2 PHE 3 5.054 4.771 -1.309 23 HZ PHE 3 HZ PHE 3 5.482 6.448 0.466 24 H GLY 4 H GLY 4 3.647 0.147 3.988 25 HA2 GLY 4 HA3 GLY 4 6.011 1.490 4.939 26 HA3 GLY 4 HA2 GLY 4 5.177 0.167 5.789 27 H ALA 5 H ALA 5 5.613 -1.487 3.188 28 HA ALA 5 HA ALA 5 8.280 -2.541 4.054 29 HB1 ALA 5 HB1 ALA 5 7.339 -4.500 3.362 30 HB2 ALA 5 HB2 ALA 5 5.829 -3.583 3.151 31 HB3 ALA 5 HB3 ALA 5 6.930 -3.816 1.771 32 H ILE 6 H ILE 6 6.986 -0.438 1.637 33 HA ILE 6 HA ILE 6 9.066 -1.070 -0.403 34 HB ILE 6 HB ILE 6 7.012 1.178 -0.099 35 HG12 ILE 6 HG12 ILE 6 5.986 -1.070 -0.192 36 HG13 ILE 6 HG13 ILE 6 5.677 -0.176 -1.699 37 HG21 ILE 6 HG21 ILE 6 8.415 2.033 -1.733 38 HG22 ILE 6 HG22 ILE 6 7.385 0.996 -2.749 39 HG23 ILE 6 HG23 ILE 6 8.990 0.424 -2.233 40 HD11 ILE 6 HD11 ILE 6 6.389 -2.197 -2.591 41 HD12 ILE 6 HD12 ILE 6 7.450 -2.555 -1.208 42 HD13 ILE 6 HD13 ILE 6 7.960 -1.376 -2.440 43 H TRP 7 H TRP 7 8.382 1.471 2.023 44 HA TRP 7 HA TRP 7 10.489 3.282 1.258 45 HB2 TRP 7 HB3 TRP 7 8.488 3.024 3.224 46 HB3 TRP 7 HB2 TRP 7 10.009 3.096 4.148 47 HD1 TRP 7 HD1 TRP 7 7.519 5.302 2.705 48 HE1 TRP 7 HE1 TRP 7 8.411 7.698 2.352 49 HE3 TRP 7 HE3 TRP 7 12.513 4.391 3.234 50 HZ2 TRP 7 HZ2 TRP 7 10.975 9.025 2.312 51 HZ3 TRP 7 HZ3 TRP 7 14.158 6.234 3.034 52 HH2 TRP 7 HH2 TRP 7 13.395 8.547 2.572 53 HA PRO 8 HA PRO 8 13.171 0.927 4.618 54 HB2 PRO 8 HB2 PRO 8 12.024 -1.817 4.292 55 HB3 PRO 8 HB3 PRO 8 12.544 -0.970 5.777 56 HG2 PRO 8 HG3 PRO 8 9.943 -1.365 5.138 57 HG3 PRO 8 HG2 PRO 8 10.516 0.043 6.071 58 HD2 PRO 8 HD2 PRO 8 9.587 -0.119 3.242 59 HD3 PRO 8 HD3 PRO 8 9.530 1.248 4.395 60 H LEU 9 H LEU 9 11.818 -0.506 1.675 61 HA LEU 9 HA LEU 9 14.321 -1.912 0.947 62 HB2 LEU 9 HB3 LEU 9 11.676 -2.139 0.317 63 HB3 LEU 9 HB2 LEU 9 12.236 -1.186 -1.079 64 HG LEU 9 HG LEU 9 14.224 -3.003 -1.014 65 HD11 LEU 9 HD11 LEU 9 13.307 -4.160 0.979 66 HD12 LEU 9 HD12 LEU 9 11.784 -4.456 0.105 67 HD13 LEU 9 HD13 LEU 9 13.291 -5.229 -0.445 68 HD21 LEU 9 HD21 LEU 9 12.950 -4.268 -2.725 69 HD22 LEU 9 HD22 LEU 9 12.724 -2.514 -2.927 70 HD23 LEU 9 HD23 LEU 9 11.444 -3.495 -2.175 71 H ALA 10 H ALA 10 12.924 1.290 0.464 72 HA ALA 10 HA ALA 10 14.416 2.086 -1.882 73 HB1 ALA 10 HB1 ALA 10 13.552 4.197 -1.344 74 HB2 ALA 10 HB2 ALA 10 12.462 3.154 -0.400 75 HB3 ALA 10 HB3 ALA 10 13.824 3.974 0.401 76 H LEU 11 H LEU 11 15.258 1.978 1.574 77 HA LEU 11 HA LEU 11 17.776 3.472 1.245 78 HB2 LEU 11 HB2 LEU 11 16.574 1.638 3.369 79 HB3 LEU 11 HB3 LEU 11 18.118 2.493 3.590 80 HG LEU 11 HG LEU 11 16.082 4.327 2.604 81 HD11 LEU 11 HD11 LEU 11 14.507 2.764 3.710 82 HD12 LEU 11 HD12 LEU 11 15.468 2.856 5.206 83 HD13 LEU 11 HD13 LEU 11 14.619 4.300 4.604 84 HD21 LEU 11 HD21 LEU 11 18.186 4.949 3.765 85 HD22 LEU 11 HD22 LEU 11 16.765 5.575 4.635 86 HD23 LEU 11 HD23 LEU 11 17.613 4.131 5.238 87 H GLY 12 H GLY 12 16.769 0.094 0.984 88 HA2 GLY 12 HA2 GLY 12 19.535 -0.943 1.107 89 HA3 GLY 12 HA3 GLY 12 18.082 -1.869 0.661 90 H ALA 13 H ALA 13 17.256 0.114 -1.384 91 HA ALA 13 HA ALA 13 18.571 -1.032 -3.684 92 HB1 ALA 13 HB1 ALA 13 17.353 0.802 -4.866 93 HB2 ALA 13 HB2 ALA 13 17.071 1.607 -3.305 94 HB3 ALA 13 HB3 ALA 13 16.323 0.027 -3.639 95 H LEU 14 H LEU 14 19.360 1.741 -1.645 96 HA LEU 14 HA LEU 14 21.286 2.891 -3.584 97 HB2 LEU 14 HB2 LEU 14 20.014 4.239 -1.942 98 HB3 LEU 14 HB3 LEU 14 20.740 3.318 -0.603 99 HG LEU 14 HG LEU 14 23.021 4.076 -1.502 100 HD11 LEU 14 HD11 LEU 14 22.230 4.736 -3.758 101 HD12 LEU 14 HD12 LEU 14 21.218 6.007 -3.031 102 HD13 LEU 14 HD13 LEU 14 22.992 6.109 -2.921 103 HD21 LEU 14 HD21 LEU 14 22.826 6.306 -0.436 104 HD22 LEU 14 HD22 LEU 14 21.948 5.072 0.498 105 HD23 LEU 14 HD23 LEU 14 21.052 6.203 -0.545 106 H LYS 15 H LYS 15 21.522 1.183 -0.418 107 HA LYS 15 HA LYS 15 24.385 1.026 -0.310 108 HB2 LYS 15 HB3 LYS 15 22.221 0.292 1.220 109 HB3 LYS 15 HB2 LYS 15 22.792 -1.300 0.668 110 HG2 LYS 15 HG2 LYS 15 24.365 -1.199 2.291 111 HG3 LYS 15 HG3 LYS 15 25.134 0.112 1.365 112 HD2 LYS 15 HD2 LYS 15 22.855 0.581 3.332 113 HD3 LYS 15 HD3 LYS 15 24.572 0.676 3.794 114 HE2 LYS 15 HE3 LYS 15 23.895 2.198 1.334 115 HE3 LYS 15 HE2 LYS 15 23.116 2.813 2.821 116 HZ1 LYS 15 HZ1 LYS 15 25.365 3.684 2.562 117 HZ2 LYS 15 HZ2 LYS 15 25.989 2.158 2.520 118 HZ3 LYS 15 HZ3 LYS 15 25.278 2.721 3.898 119 H ASN 16 H ASN 16 22.038 -0.824 -2.190 120 HA ASN 16 HA ASN 16 23.812 -3.085 -2.781 121 HB2 ASN 16 HB2 ASN 16 21.290 -1.867 -3.974 122 HB3 ASN 16 HB3 ASN 16 22.050 -3.314 -4.678 123 HD21 ASN 16 HD21 ASN 16 19.697 -4.082 -3.886 124 HD22 ASN 16 HD22 ASN 16 19.667 -4.775 -2.281 125 H LEU 17 H LEU 17 23.115 0.048 -4.363 126 HA LEU 17 HA LEU 17 24.655 -0.564 -6.786 127 HB2 LEU 17 HB3 LEU 17 23.315 1.768 -5.445 128 HB3 LEU 17 HB2 LEU 17 24.534 2.143 -6.686 129 HG LEU 17 HG LEU 17 22.227 1.947 -7.639 130 HD11 LEU 17 HD11 LEU 17 24.214 1.417 -9.025 131 HD12 LEU 17 HD12 LEU 17 24.150 -0.273 -8.469 132 HD13 LEU 17 HD13 LEU 17 22.831 0.386 -9.466 133 HD21 LEU 17 HD21 LEU 17 21.036 -0.133 -7.607 134 HD22 LEU 17 HD22 LEU 17 21.563 0.145 -5.930 135 HD23 LEU 17 HD23 LEU 17 22.442 -1.011 -6.959 136 H ILE 18 H ILE 18 25.361 1.021 -3.669 137 HA ILE 18 HA ILE 18 28.108 1.759 -4.555 138 HB ILE 18 HB ILE 18 28.214 2.623 -2.208 139 HG12 ILE 18 HG12 ILE 18 25.342 1.965 -1.736 140 HG13 ILE 18 HG13 ILE 18 26.483 0.606 -1.595 141 HG21 ILE 18 HG21 ILE 18 27.182 3.991 -4.001 142 HG22 ILE 18 HG22 ILE 18 26.380 4.271 -2.437 143 HG23 ILE 18 HG23 ILE 18 25.604 3.240 -3.663 144 HD11 ILE 18 HD11 ILE 18 26.192 1.755 0.583 145 HD12 ILE 18 HD12 ILE 18 26.719 3.286 -0.155 146 HD13 ILE 18 HD13 ILE 18 27.860 1.928 -0.013 147 H LYS 19 H LYS 19 26.583 -1.056 -3.314 148 HA LYS 19 HA LYS 19 28.597 -2.090 -1.529 149 HB2 LYS 19 HB3 LYS 19 26.152 -2.852 -2.505 150 HB3 LYS 19 HB2 LYS 19 27.214 -3.954 -3.415 151 HG2 LYS 19 HG2 LYS 19 26.581 -5.036 -1.320 152 HG3 LYS 19 HG3 LYS 19 28.306 -4.602 -1.236 153 HD2 LYS 19 HD2 LYS 19 27.959 -2.980 0.362 154 HD3 LYS 19 HD3 LYS 19 26.358 -2.540 -0.281 155 HE2 LYS 19 HE2 LYS 19 25.291 -4.374 0.819 156 HE3 LYS 19 HE3 LYS 19 26.847 -5.210 1.099 157 HZ1 LYS 19 HZ1 LYS 19 26.110 -4.013 3.073 158 HZ2 LYS 19 HZ2 LYS 19 26.085 -2.589 2.240 159 HZ3 LYS 19 HZ3 LYS 19 27.515 -3.369 2.497 160 HN1 NH2 20 H1 NH2 20 30.480 -3.414 -1.951 161 HN2 NH2 20 H2 NH2 20 31.189 -3.541 -3.545 Start of MODEL 6 1 H1 ACE 1 HH31 ACE 1 -1.916 -1.395 3.642 2 H2 ACE 1 HH32 ACE 1 -1.227 -0.314 2.407 3 H3 ACE 1 HH33 ACE 1 -1.723 -1.966 1.967 4 H ILE 2 H ILE 2 0.742 -1.544 1.203 5 HA ILE 2 HA ILE 2 2.472 -2.708 3.413 6 HB ILE 2 HB ILE 2 3.616 -3.879 1.498 7 HG12 ILE 2 HG13 ILE 2 1.325 -3.216 -0.310 8 HG13 ILE 2 HG12 ILE 2 2.554 -1.949 -0.082 9 HG21 ILE 2 HG21 ILE 2 1.781 -4.983 2.747 10 HG22 ILE 2 HG22 ILE 2 1.767 -5.460 1.032 11 HG23 ILE 2 HG23 ILE 2 0.592 -4.265 1.633 12 HD11 ILE 2 HD11 ILE 2 3.131 -3.413 -1.999 13 HD12 ILE 2 HD12 ILE 2 4.333 -3.564 -0.695 14 HD13 ILE 2 HD13 ILE 2 3.104 -4.831 -0.923 15 H PHE 3 H PHE 3 2.058 0.179 2.636 16 HA PHE 3 HA PHE 3 4.272 1.144 1.056 17 HB2 PHE 3 HB2 PHE 3 2.223 2.396 1.818 18 HB3 PHE 3 HB3 PHE 3 2.883 2.404 3.471 19 HD1 PHE 3 HD1 PHE 3 4.301 3.017 0.034 20 HD2 PHE 3 HD2 PHE 3 3.796 4.463 4.046 21 HE1 PHE 3 HE1 PHE 3 5.653 5.021 -0.519 22 HE2 PHE 3 HE2 PHE 3 5.147 6.468 3.494 23 HZ PHE 3 HZ PHE 3 6.074 6.748 1.211 24 H GLY 4 H GLY 4 3.980 0.386 4.542 25 HA2 GLY 4 HA2 GLY 4 6.561 1.428 5.316 26 HA3 GLY 4 HA3 GLY 4 5.664 0.160 6.186 27 H ALA 5 H ALA 5 5.673 -1.345 3.436 28 HA ALA 5 HA ALA 5 8.259 -2.755 4.003 29 HB1 ALA 5 HB1 ALA 5 7.233 -4.446 2.476 30 HB2 ALA 5 HB2 ALA 5 6.111 -3.977 3.775 31 HB3 ALA 5 HB3 ALA 5 5.902 -3.314 2.136 32 H ILE 6 H ILE 6 6.963 -0.418 1.786 33 HA ILE 6 HA ILE 6 8.824 -1.134 -0.431 34 HB ILE 6 HB ILE 6 6.975 1.243 0.105 35 HG12 ILE 6 HG13 ILE 6 5.796 -0.935 0.000 36 HG13 ILE 6 HG12 ILE 6 5.429 0.059 -1.429 37 HG21 ILE 6 HG21 ILE 6 8.321 2.068 -1.594 38 HG22 ILE 6 HG22 ILE 6 7.145 1.156 -2.569 39 HG23 ILE 6 HG23 ILE 6 8.735 0.446 -2.198 40 HD11 ILE 6 HD11 ILE 6 6.144 -2.520 -1.657 41 HD12 ILE 6 HD12 ILE 6 6.640 -1.306 -2.861 42 HD13 ILE 6 HD13 ILE 6 7.776 -1.814 -1.588 43 H TRP 7 H TRP 7 8.603 1.238 2.219 44 HA TRP 7 HA TRP 7 10.748 2.963 1.311 45 HB2 TRP 7 HB2 TRP 7 8.965 2.633 3.538 46 HB3 TRP 7 HB3 TRP 7 10.614 2.792 4.191 47 HD1 TRP 7 HD1 TRP 7 7.856 4.907 3.403 48 HE1 TRP 7 HE1 TRP 7 8.557 7.313 2.782 49 HE3 TRP 7 HE3 TRP 7 12.816 4.101 2.502 50 HZ2 TRP 7 HZ2 TRP 7 10.969 8.687 1.994 51 HZ3 TRP 7 HZ3 TRP 7 14.291 5.968 1.815 52 HH2 TRP 7 HH2 TRP 7 13.375 8.260 1.560 53 HA PRO 8 HA PRO 8 13.518 0.230 4.297 54 HB2 PRO 8 HB3 PRO 8 12.095 -2.379 3.954 55 HB3 PRO 8 HB2 PRO 8 12.841 -1.680 5.420 56 HG2 PRO 8 HG2 PRO 8 10.163 -1.799 5.043 57 HG3 PRO 8 HG3 PRO 8 10.957 -0.496 5.967 58 HD2 PRO 8 HD3 PRO 8 9.744 -0.434 3.249 59 HD3 PRO 8 HD2 PRO 8 9.916 0.876 4.454 60 H LEU 9 H LEU 9 11.771 -0.923 1.440 61 HA LEU 9 HA LEU 9 14.067 -2.484 0.403 62 HB2 LEU 9 HB2 LEU 9 11.399 -2.564 0.044 63 HB3 LEU 9 HB3 LEU 9 11.795 -1.465 -1.298 64 HG LEU 9 HG LEU 9 13.501 -3.909 -0.991 65 HD11 LEU 9 HD11 LEU 9 11.213 -4.789 -0.621 66 HD12 LEU 9 HD12 LEU 9 11.841 -5.290 -2.209 67 HD13 LEU 9 HD13 LEU 9 10.657 -3.965 -2.098 68 HD21 LEU 9 HD21 LEU 9 13.396 -3.794 -3.467 69 HD22 LEU 9 HD22 LEU 9 12.212 -2.470 -3.354 70 HD23 LEU 9 HD23 LEU 9 13.877 -2.226 -2.774 71 H ALA 10 H ALA 10 12.835 0.819 0.159 72 HA ALA 10 HA ALA 10 14.370 1.542 -2.240 73 HB1 ALA 10 HB1 ALA 10 13.704 3.839 -1.508 74 HB2 ALA 10 HB2 ALA 10 13.188 3.177 0.061 75 HB3 ALA 10 HB3 ALA 10 12.330 2.710 -1.427 76 H LEU 11 H LEU 11 15.021 1.429 1.235 77 HA LEU 11 HA LEU 11 17.466 3.086 1.061 78 HB2 LEU 11 HB3 LEU 11 16.015 1.366 3.085 79 HB3 LEU 11 HB2 LEU 11 17.681 1.891 3.430 80 HG LEU 11 HG LEU 11 15.590 3.880 2.502 81 HD11 LEU 11 HD11 LEU 11 14.647 2.706 4.472 82 HD12 LEU 11 HD12 LEU 11 15.119 4.371 4.885 83 HD13 LEU 11 HD13 LEU 11 16.154 3.007 5.371 84 HD21 LEU 11 HD21 LEU 11 17.066 5.438 3.742 85 HD22 LEU 11 HD22 LEU 11 18.100 4.073 4.227 86 HD23 LEU 11 HD23 LEU 11 17.980 4.534 2.512 87 H GLY 12 H GLY 12 16.637 -0.338 0.775 88 HA2 GLY 12 HA2 GLY 12 19.438 -1.237 1.079 89 HA3 GLY 12 HA3 GLY 12 18.061 -2.239 0.561 90 H ALA 13 H ALA 13 17.215 -0.450 -1.583 91 HA ALA 13 HA ALA 13 18.782 -1.505 -3.757 92 HB1 ALA 13 HB1 ALA 13 17.473 0.170 -5.069 93 HB2 ALA 13 HB2 ALA 13 16.446 -0.671 -3.884 94 HB3 ALA 13 HB3 ALA 13 17.014 0.983 -3.554 95 H LEU 14 H LEU 14 19.163 1.395 -1.774 96 HA LEU 14 HA LEU 14 21.108 2.653 -3.632 97 HB2 LEU 14 HB2 LEU 14 19.604 3.957 -2.173 98 HB3 LEU 14 HB3 LEU 14 20.271 3.154 -0.732 99 HG LEU 14 HG LEU 14 22.535 4.081 -1.341 100 HD11 LEU 14 HD11 LEU 14 22.097 4.395 -3.761 101 HD12 LEU 14 HD12 LEU 14 20.890 5.646 -3.381 102 HD13 LEU 14 HD13 LEU 14 22.608 5.921 -3.002 103 HD21 LEU 14 HD21 LEU 14 22.007 6.398 -0.625 104 HD22 LEU 14 HD22 LEU 14 21.068 5.210 0.311 105 HD23 LEU 14 HD23 LEU 14 20.290 6.123 -1.004 106 H LYS 15 H LYS 15 21.244 1.049 -0.408 107 HA LYS 15 HA LYS 15 24.088 1.209 -0.042 108 HB2 LYS 15 HB2 LYS 15 21.761 -0.034 1.113 109 HB3 LYS 15 HB3 LYS 15 23.023 -1.280 0.970 110 HG2 LYS 15 HG3 LYS 15 24.059 -0.405 2.778 111 HG3 LYS 15 HG2 LYS 15 24.298 1.116 1.884 112 HD2 LYS 15 HD2 LYS 15 21.696 0.427 3.306 113 HD3 LYS 15 HD3 LYS 15 23.019 1.320 4.093 114 HE2 LYS 15 HE3 LYS 15 22.896 3.078 2.368 115 HE3 LYS 15 HE2 LYS 15 21.620 2.170 1.505 116 HZ1 LYS 15 HZ1 LYS 15 20.682 3.798 3.038 117 HZ2 LYS 15 HZ2 LYS 15 21.476 3.111 4.310 118 HZ3 LYS 15 HZ3 LYS 15 20.296 2.270 3.523 119 H ASN 16 H ASN 16 22.118 -0.938 -2.050 120 HA ASN 16 HA ASN 16 24.168 -2.984 -2.459 121 HB2 ASN 16 HB2 ASN 16 21.731 -2.054 -4.051 122 HB3 ASN 16 HB3 ASN 16 22.633 -3.549 -4.393 123 HD21 ASN 16 HD21 ASN 16 19.802 -3.377 -3.512 124 HD22 ASN 16 HD22 ASN 16 19.724 -4.211 -1.976 125 H LEU 17 H LEU 17 23.325 0.068 -4.119 126 HA LEU 17 HA LEU 17 25.141 -0.410 -6.387 127 HB2 LEU 17 HB3 LEU 17 23.440 1.784 -5.229 128 HB3 LEU 17 HB2 LEU 17 24.720 2.266 -6.367 129 HG LEU 17 HG LEU 17 22.556 1.819 -7.527 130 HD11 LEU 17 HD11 LEU 17 24.704 1.431 -8.707 131 HD12 LEU 17 HD12 LEU 17 23.464 0.270 -9.236 132 HD13 LEU 17 HD13 LEU 17 24.735 -0.242 -8.100 133 HD21 LEU 17 HD21 LEU 17 21.540 -0.346 -7.516 134 HD22 LEU 17 HD22 LEU 17 22.956 -1.090 -6.735 135 HD23 LEU 17 HD23 LEU 17 21.905 0.009 -5.811 136 H ILE 18 H ILE 18 25.353 1.283 -3.254 137 HA ILE 18 HA ILE 18 28.120 2.228 -3.886 138 HB ILE 18 HB ILE 18 27.853 3.288 -1.633 139 HG12 ILE 18 HG12 ILE 18 24.999 2.504 -1.417 140 HG13 ILE 18 HG13 ILE 18 26.149 1.179 -1.113 141 HG21 ILE 18 HG21 ILE 18 26.969 4.415 -3.658 142 HG22 ILE 18 HG22 ILE 18 25.418 3.566 -3.450 143 HG23 ILE 18 HG23 ILE 18 25.951 4.754 -2.237 144 HD11 ILE 18 HD11 ILE 18 25.628 2.403 0.981 145 HD12 ILE 18 HD12 ILE 18 27.341 2.593 0.539 146 HD13 ILE 18 HD13 ILE 18 26.191 3.918 0.236 147 H LYS 19 H LYS 19 26.549 -0.476 -2.338 148 HA LYS 19 HA LYS 19 29.259 -1.508 -1.527 149 HB2 LYS 19 HB3 LYS 19 27.785 -0.205 0.298 150 HB3 LYS 19 HB2 LYS 19 26.944 -1.771 0.390 151 HG2 LYS 19 HG2 LYS 19 29.930 -1.873 0.393 152 HG3 LYS 19 HG3 LYS 19 29.165 -1.193 1.849 153 HD2 LYS 19 HD3 LYS 19 27.571 -3.327 1.565 154 HD3 LYS 19 HD2 LYS 19 28.995 -3.974 0.715 155 HE2 LYS 19 HE3 LYS 19 30.201 -4.166 2.653 156 HE3 LYS 19 HE2 LYS 19 29.617 -2.597 3.282 157 HZ1 LYS 19 HZ1 LYS 19 28.675 -4.462 4.513 158 HZ2 LYS 19 HZ2 LYS 19 27.486 -3.651 3.709 159 HZ3 LYS 19 HZ3 LYS 19 28.033 -5.095 3.132 160 HN1 NH2 20 H1 NH2 20 27.653 -2.374 -3.754 161 HN2 NH2 20 H2 NH2 20 27.025 -3.966 -3.390 Start of MODEL 7 1 H1 ACE 1 HH31 ACE 1 -1.096 0.007 0.140 2 H2 ACE 1 HH32 ACE 1 -1.670 -1.247 1.266 3 H3 ACE 1 HH33 ACE 1 -1.068 0.306 1.894 4 H ILE 2 H ILE 2 0.165 -1.670 3.077 5 HA ILE 2 HA ILE 2 2.331 -2.570 3.477 6 HB ILE 2 HB ILE 2 2.125 -2.995 0.454 7 HG12 ILE 2 HG13 ILE 2 1.276 -4.830 2.738 8 HG13 ILE 2 HG12 ILE 2 0.150 -3.804 1.818 9 HG21 ILE 2 HG21 ILE 2 3.404 -5.181 1.564 10 HG22 ILE 2 HG22 ILE 2 4.228 -3.810 0.782 11 HG23 ILE 2 HG23 ILE 2 4.037 -3.842 2.552 12 HD11 ILE 2 HD11 ILE 2 0.206 -6.107 0.899 13 HD12 ILE 2 HD12 ILE 2 1.961 -5.961 0.639 14 HD13 ILE 2 HD13 ILE 2 0.836 -4.934 -0.281 15 H PHE 3 H PHE 3 2.023 0.353 2.571 16 HA PHE 3 HA PHE 3 4.309 1.044 0.914 17 HB2 PHE 3 HB3 PHE 3 2.338 2.489 1.422 18 HB3 PHE 3 HB2 PHE 3 2.851 2.578 3.124 19 HD1 PHE 3 HD1 PHE 3 4.447 2.977 -0.268 20 HD2 PHE 3 HD2 PHE 3 3.976 4.517 3.713 21 HE1 PHE 3 HE1 PHE 3 5.960 4.863 -0.821 22 HE2 PHE 3 HE2 PHE 3 5.489 6.406 3.162 23 HZ PHE 3 HZ PHE 3 6.478 6.580 0.894 24 H GLY 4 H GLY 4 3.876 0.661 4.446 25 HA2 GLY 4 HA2 GLY 4 6.458 1.674 5.222 26 HA3 GLY 4 HA3 GLY 4 5.492 0.510 6.160 27 H ALA 5 H ALA 5 5.545 -1.254 3.588 28 HA ALA 5 HA ALA 5 8.063 -2.675 4.368 29 HB1 ALA 5 HB1 ALA 5 6.865 -4.501 3.674 30 HB2 ALA 5 HB2 ALA 5 5.473 -3.392 3.656 31 HB3 ALA 5 HB3 ALA 5 6.378 -3.708 2.156 32 H ILE 6 H ILE 6 6.832 -0.623 1.799 33 HA ILE 6 HA ILE 6 8.884 -1.499 -0.169 34 HB ILE 6 HB ILE 6 6.926 0.850 -0.055 35 HG12 ILE 6 HG13 ILE 6 6.673 -1.742 -1.625 36 HG13 ILE 6 HG12 ILE 6 6.015 -1.562 0.019 37 HG21 ILE 6 HG21 ILE 6 8.794 1.214 -1.646 38 HG22 ILE 6 HG22 ILE 6 8.470 -0.370 -2.388 39 HG23 ILE 6 HG23 ILE 6 7.264 0.933 -2.510 40 HD11 ILE 6 HD11 ILE 6 4.291 -1.056 -1.690 41 HD12 ILE 6 HD12 ILE 6 5.340 0.210 -2.372 42 HD13 ILE 6 HD13 ILE 6 4.682 0.389 -0.728 43 H TRP 7 H TRP 7 8.473 1.036 2.273 44 HA TRP 7 HA TRP 7 10.525 2.840 1.296 45 HB2 TRP 7 HB2 TRP 7 8.729 2.524 3.512 46 HB3 TRP 7 HB3 TRP 7 10.355 2.804 4.181 47 HD1 TRP 7 HD1 TRP 7 7.479 4.686 3.107 48 HE1 TRP 7 HE1 TRP 7 8.062 7.107 2.437 49 HE3 TRP 7 HE3 TRP 7 12.543 4.207 2.662 50 HZ2 TRP 7 HZ2 TRP 7 10.431 8.620 1.788 51 HZ3 TRP 7 HZ3 TRP 7 13.939 6.150 2.017 52 HH2 TRP 7 HH2 TRP 7 12.891 8.354 1.578 53 HA PRO 8 HA PRO 8 13.391 0.452 4.502 54 HB2 PRO 8 HB3 PRO 8 12.136 -2.253 4.230 55 HB3 PRO 8 HB2 PRO 8 12.811 -1.459 5.681 56 HG2 PRO 8 HG2 PRO 8 10.150 -1.744 5.248 57 HG3 PRO 8 HG3 PRO 8 10.850 -0.376 6.152 58 HD2 PRO 8 HD2 PRO 8 9.661 -0.438 3.429 59 HD3 PRO 8 HD3 PRO 8 9.806 0.914 4.592 60 H LEU 9 H LEU 9 11.794 -1.038 1.698 61 HA LEU 9 HA LEU 9 14.242 -2.418 0.772 62 HB2 LEU 9 HB2 LEU 9 11.393 -2.046 0.034 63 HB3 LEU 9 HB3 LEU 9 12.476 -2.187 -1.371 64 HG LEU 9 HG LEU 9 11.642 -4.410 -0.640 65 HD11 LEU 9 HD11 LEU 9 13.681 -5.468 -0.944 66 HD12 LEU 9 HD12 LEU 9 14.522 -4.411 0.215 67 HD13 LEU 9 HD13 LEU 9 14.141 -3.815 -1.419 68 HD21 LEU 9 HD21 LEU 9 11.853 -5.219 1.524 69 HD22 LEU 9 HD22 LEU 9 11.676 -3.482 1.873 70 HD23 LEU 9 HD23 LEU 9 13.292 -4.229 1.867 71 H ALA 10 H ALA 10 12.721 0.742 0.322 72 HA ALA 10 HA ALA 10 14.104 1.509 -2.114 73 HB1 ALA 10 HB1 ALA 10 13.046 3.533 -1.689 74 HB2 ALA 10 HB2 ALA 10 12.126 2.515 -0.556 75 HB3 ALA 10 HB3 ALA 10 13.476 3.511 0.038 76 H LEU 11 H LEU 11 14.897 1.924 1.359 77 HA LEU 11 HA LEU 11 17.360 3.412 0.898 78 HB2 LEU 11 HB2 LEU 11 16.273 1.671 3.160 79 HB3 LEU 11 HB3 LEU 11 17.767 2.627 3.304 80 HG LEU 11 HG LEU 11 15.348 4.057 2.270 81 HD11 LEU 11 HD11 LEU 11 14.412 2.697 4.119 82 HD12 LEU 11 HD12 LEU 11 15.704 3.276 5.198 83 HD13 LEU 11 HD13 LEU 11 14.492 4.418 4.567 84 HD21 LEU 11 HD21 LEU 11 16.321 5.861 3.667 85 HD22 LEU 11 HD22 LEU 11 17.543 5.169 2.574 86 HD23 LEU 11 HD23 LEU 11 17.533 4.719 4.296 87 H GLY 12 H GLY 12 16.534 -0.018 0.846 88 HA2 GLY 12 HA2 GLY 12 19.288 -0.977 1.134 89 HA3 GLY 12 HA3 GLY 12 17.907 -1.925 0.531 90 H ALA 13 H ALA 13 17.211 -0.023 -1.586 91 HA ALA 13 HA ALA 13 18.788 -1.074 -3.743 92 HB1 ALA 13 HB1 ALA 13 17.645 0.741 -5.024 93 HB2 ALA 13 HB2 ALA 13 16.521 -0.073 -3.911 94 HB3 ALA 13 HB3 ALA 13 17.190 1.522 -3.491 95 H LEU 14 H LEU 14 19.286 1.727 -1.642 96 HA LEU 14 HA LEU 14 21.354 2.951 -3.371 97 HB2 LEU 14 HB2 LEU 14 19.936 4.247 -1.819 98 HB3 LEU 14 HB3 LEU 14 20.531 3.289 -0.442 99 HG LEU 14 HG LEU 14 22.854 4.095 -0.945 100 HD11 LEU 14 HD11 LEU 14 22.505 4.568 -3.355 101 HD12 LEU 14 HD12 LEU 14 23.113 6.007 -2.502 102 HD13 LEU 14 HD13 LEU 14 21.390 5.890 -2.933 103 HD21 LEU 14 HD21 LEU 14 21.435 5.247 0.733 104 HD22 LEU 14 HD22 LEU 14 22.489 6.403 -0.117 105 HD23 LEU 14 HD23 LEU 14 20.766 6.286 -0.549 106 H LYS 15 H LYS 15 21.328 1.065 -0.308 107 HA LYS 15 HA LYS 15 24.189 1.036 0.077 108 HB2 LYS 15 HB3 LYS 15 22.127 -1.109 0.785 109 HB3 LYS 15 HB2 LYS 15 23.674 -0.810 1.607 110 HG2 LYS 15 HG2 LYS 15 21.726 1.474 1.401 111 HG3 LYS 15 HG3 LYS 15 21.372 0.175 2.565 112 HD2 LYS 15 HD2 LYS 15 22.674 1.781 3.772 113 HD3 LYS 15 HD3 LYS 15 23.796 0.454 3.381 114 HE2 LYS 15 HE3 LYS 15 24.910 1.704 1.739 115 HE3 LYS 15 HE2 LYS 15 23.507 2.775 1.454 116 HZ1 LYS 15 HZ1 LYS 15 25.201 3.857 2.811 117 HZ2 LYS 15 HZ2 LYS 15 25.115 2.657 3.939 118 HZ3 LYS 15 HZ3 LYS 15 23.819 3.645 3.686 119 H ASN 16 H ASN 16 22.033 -0.915 -1.954 120 HA ASN 16 HA ASN 16 24.062 -2.968 -2.562 121 HB2 ASN 16 HB2 ASN 16 21.386 -2.069 -3.706 122 HB3 ASN 16 HB3 ASN 16 22.310 -3.410 -4.424 123 HD21 ASN 16 HD21 ASN 16 19.784 -2.894 -2.363 124 HD22 ASN 16 HD22 ASN 16 19.995 -4.257 -1.286 125 H LEU 17 H LEU 17 23.058 0.147 -3.925 126 HA LEU 17 HA LEU 17 24.460 -0.176 -6.478 127 HB2 LEU 17 HB3 LEU 17 22.567 1.401 -5.962 128 HB3 LEU 17 HB2 LEU 17 23.662 2.321 -4.902 129 HG LEU 17 HG LEU 17 24.773 1.809 -7.595 130 HD11 LEU 17 HD11 LEU 17 22.381 2.073 -8.199 131 HD12 LEU 17 HD12 LEU 17 23.332 3.484 -8.721 132 HD13 LEU 17 HD13 LEU 17 22.313 3.586 -7.265 133 HD21 LEU 17 HD21 LEU 17 25.772 3.338 -5.914 134 HD22 LEU 17 HD22 LEU 17 25.309 4.222 -7.388 135 HD23 LEU 17 HD23 LEU 17 24.290 4.324 -5.933 136 H ILE 18 H ILE 18 25.364 0.953 -3.238 137 HA ILE 18 HA ILE 18 27.954 2.062 -4.195 138 HB ILE 18 HB ILE 18 28.254 2.454 -1.744 139 HG12 ILE 18 HG12 ILE 18 25.497 1.300 -1.293 140 HG13 ILE 18 HG13 ILE 18 26.916 0.227 -1.257 141 HG21 ILE 18 HG21 ILE 18 26.937 4.052 -3.108 142 HG22 ILE 18 HG22 ILE 18 25.461 3.112 -2.781 143 HG23 ILE 18 HG23 ILE 18 26.300 3.944 -1.450 144 HD11 ILE 18 HD11 ILE 18 27.953 1.978 0.357 145 HD12 ILE 18 HD12 ILE 18 26.664 0.932 0.997 146 HD13 ILE 18 HD13 ILE 18 26.296 2.607 0.521 147 H LYS 19 H LYS 19 26.704 -1.000 -3.040 148 HA LYS 19 HA LYS 19 29.517 -2.003 -2.566 149 HB2 LYS 19 HB2 LYS 19 27.722 -2.282 -0.829 150 HB3 LYS 19 HB3 LYS 19 26.772 -3.228 -2.000 151 HG2 LYS 19 HG2 LYS 19 29.596 -4.105 -1.638 152 HG3 LYS 19 HG3 LYS 19 28.539 -4.335 -0.225 153 HD2 LYS 19 HD2 LYS 19 26.882 -5.499 -1.691 154 HD3 LYS 19 HD3 LYS 19 28.003 -5.325 -3.062 155 HE2 LYS 19 HE3 LYS 19 29.369 -7.010 -2.309 156 HE3 LYS 19 HE2 LYS 19 29.196 -6.521 -0.598 157 HZ1 LYS 19 HZ1 LYS 19 28.017 -8.589 -1.063 158 HZ2 LYS 19 HZ2 LYS 19 26.947 -7.401 -0.656 159 HZ3 LYS 19 HZ3 LYS 19 27.117 -7.854 -2.233 160 HN1 NH2 20 H1 NH2 20 30.388 -3.617 -3.948 161 HN2 NH2 20 H2 NH2 20 29.529 -4.280 -5.321 Start of MODEL 8 1 H1 ACE 1 HH31 ACE 1 -1.507 -1.176 5.164 2 H2 ACE 1 HH32 ACE 1 -1.049 -0.066 3.850 3 H3 ACE 1 HH33 ACE 1 -1.794 -1.636 3.469 4 H ILE 2 H ILE 2 0.430 -1.356 2.123 5 HA ILE 2 HA ILE 2 2.532 -2.824 3.753 6 HB ILE 2 HB ILE 2 1.797 -2.997 0.789 7 HG12 ILE 2 HG12 ILE 2 1.380 -5.476 2.037 8 HG13 ILE 2 HG13 ILE 2 0.744 -4.293 3.206 9 HG21 ILE 2 HG21 ILE 2 3.227 -5.251 1.385 10 HG22 ILE 2 HG22 ILE 2 3.952 -3.772 0.709 11 HG23 ILE 2 HG23 ILE 2 4.015 -4.074 2.463 12 HD11 ILE 2 HD11 ILE 2 -1.010 -4.987 1.596 13 HD12 ILE 2 HD12 ILE 2 -0.623 -3.259 1.414 14 HD13 ILE 2 HD13 ILE 2 0.013 -4.442 0.246 15 H PHE 3 H PHE 3 1.993 0.187 2.796 16 HA PHE 3 HA PHE 3 4.171 0.868 1.011 17 HB2 PHE 3 HB2 PHE 3 2.157 2.254 1.700 18 HB3 PHE 3 HB3 PHE 3 2.936 2.499 3.281 19 HD1 PHE 3 HD1 PHE 3 4.360 4.328 3.559 20 HD2 PHE 3 HD2 PHE 3 3.670 2.801 -0.397 21 HE1 PHE 3 HE1 PHE 3 5.703 6.185 2.608 22 HE2 PHE 3 HE2 PHE 3 5.014 4.657 -1.347 23 HZ PHE 3 HZ PHE 3 6.029 6.350 0.155 24 H GLY 4 H GLY 4 3.979 0.388 4.531 25 HA2 GLY 4 HA3 GLY 4 6.559 1.526 5.178 26 HA3 GLY 4 HA2 GLY 4 5.699 0.308 6.150 27 H ALA 5 H ALA 5 5.677 -1.349 3.470 28 HA ALA 5 HA ALA 5 8.248 -2.745 4.100 29 HB1 ALA 5 HB1 ALA 5 7.233 -4.466 2.598 30 HB2 ALA 5 HB2 ALA 5 5.921 -3.329 2.203 31 HB3 ALA 5 HB3 ALA 5 6.090 -3.951 3.862 32 H ILE 6 H ILE 6 6.895 -0.594 1.682 33 HA ILE 6 HA ILE 6 8.897 -1.314 -0.395 34 HB ILE 6 HB ILE 6 6.917 0.997 -0.079 35 HG12 ILE 6 HG13 ILE 6 6.650 -1.528 -1.759 36 HG13 ILE 6 HG12 ILE 6 6.008 -1.403 -0.103 37 HG21 ILE 6 HG21 ILE 6 8.723 1.476 -1.711 38 HG22 ILE 6 HG22 ILE 6 8.390 -0.068 -2.531 39 HG23 ILE 6 HG23 ILE 6 7.166 1.224 -2.535 40 HD11 ILE 6 HD11 ILE 6 4.266 -0.852 -1.778 41 HD12 ILE 6 HD12 ILE 6 4.660 0.564 -0.775 42 HD13 ILE 6 HD13 ILE 6 5.302 0.439 -2.431 43 H TRP 7 H TRP 7 8.506 1.107 2.175 44 HA TRP 7 HA TRP 7 10.519 2.973 1.249 45 HB2 TRP 7 HB3 TRP 7 8.775 2.544 3.471 46 HB3 TRP 7 HB2 TRP 7 10.411 2.746 4.142 47 HD1 TRP 7 HD1 TRP 7 7.556 4.741 3.176 48 HE1 TRP 7 HE1 TRP 7 8.180 7.196 2.687 49 HE3 TRP 7 HE3 TRP 7 12.621 4.230 2.786 50 HZ2 TRP 7 HZ2 TRP 7 10.578 8.721 2.196 51 HZ3 TRP 7 HZ3 TRP 7 14.051 6.194 2.305 52 HH2 TRP 7 HH2 TRP 7 13.037 8.438 2.007 53 HA PRO 8 HA PRO 8 13.504 0.458 4.240 54 HB2 PRO 8 HB2 PRO 8 12.288 -2.253 3.854 55 HB3 PRO 8 HB3 PRO 8 12.983 -1.516 5.326 56 HG2 PRO 8 HG3 PRO 8 10.318 -1.829 4.941 57 HG3 PRO 8 HG2 PRO 8 11.019 -0.506 5.910 58 HD2 PRO 8 HD2 PRO 8 9.759 -0.429 3.219 59 HD3 PRO 8 HD3 PRO 8 9.918 0.857 4.452 60 H LEU 9 H LEU 9 11.860 -0.884 1.387 61 HA LEU 9 HA LEU 9 14.280 -2.209 0.336 62 HB2 LEU 9 HB2 LEU 9 11.634 -2.489 -0.055 63 HB3 LEU 9 HB3 LEU 9 11.952 -1.333 -1.370 64 HG LEU 9 HG LEU 9 13.726 -3.759 -1.018 65 HD11 LEU 9 HD11 LEU 9 11.395 -4.606 -1.061 66 HD12 LEU 9 HD12 LEU 9 11.076 -3.651 -2.529 67 HD13 LEU 9 HD13 LEU 9 12.244 -4.993 -2.577 68 HD21 LEU 9 HD21 LEU 9 13.989 -3.442 -3.464 69 HD22 LEU 9 HD22 LEU 9 14.386 -1.949 -2.580 70 HD23 LEU 9 HD23 LEU 9 12.822 -2.099 -3.416 71 H ALA 10 H ALA 10 12.814 0.999 0.131 72 HA ALA 10 HA ALA 10 14.187 1.919 -2.259 73 HB1 ALA 10 HB1 ALA 10 13.194 3.939 -1.664 74 HB2 ALA 10 HB2 ALA 10 12.235 2.843 -0.641 75 HB3 ALA 10 HB3 ALA 10 13.599 3.747 0.059 76 H LEU 11 H LEU 11 15.027 2.004 1.223 77 HA LEU 11 HA LEU 11 17.553 3.453 0.777 78 HB2 LEU 11 HB2 LEU 11 16.228 1.893 3.026 79 HB3 LEU 11 HB3 LEU 11 17.873 2.547 3.209 80 HG LEU 11 HG LEU 11 15.557 4.278 2.276 81 HD11 LEU 11 HD11 LEU 11 14.956 3.296 4.474 82 HD12 LEU 11 HD12 LEU 11 15.333 5.029 4.629 83 HD13 LEU 11 HD13 LEU 11 16.528 3.810 5.133 84 HD21 LEU 11 HD21 LEU 11 17.034 6.078 3.132 85 HD22 LEU 11 HD22 LEU 11 17.870 5.094 1.908 86 HD23 LEU 11 HD23 LEU 11 18.229 4.859 3.635 87 H GLY 12 H GLY 12 16.534 0.066 0.860 88 HA2 GLY 12 HA3 GLY 12 19.208 -1.058 1.169 89 HA3 GLY 12 HA2 GLY 12 17.783 -1.920 0.540 90 H ALA 13 H ALA 13 17.293 0.072 -1.589 91 HA ALA 13 HA ALA 13 18.942 -1.112 -3.673 92 HB1 ALA 13 HB1 ALA 13 17.801 0.624 -5.060 93 HB2 ALA 13 HB2 ALA 13 17.263 1.443 -3.574 94 HB3 ALA 13 HB3 ALA 13 16.655 -0.184 -3.963 95 H LEU 14 H LEU 14 19.302 1.720 -1.604 96 HA LEU 14 HA LEU 14 21.383 2.982 -3.293 97 HB2 LEU 14 HB3 LEU 14 19.869 4.270 -1.837 98 HB3 LEU 14 HB2 LEU 14 20.424 3.359 -0.413 99 HG LEU 14 HG LEU 14 22.740 4.224 -0.805 100 HD11 LEU 14 HD11 LEU 14 22.522 4.613 -3.246 101 HD12 LEU 14 HD12 LEU 14 21.349 5.914 -2.933 102 HD13 LEU 14 HD13 LEU 14 23.040 6.094 -2.406 103 HD21 LEU 14 HD21 LEU 14 22.264 6.548 -0.076 104 HD22 LEU 14 HD22 LEU 14 20.573 6.366 -0.602 105 HD23 LEU 14 HD23 LEU 14 21.196 5.388 0.749 106 H LYS 15 H LYS 15 21.313 1.143 -0.198 107 HA LYS 15 HA LYS 15 24.207 1.218 0.175 108 HB2 LYS 15 HB2 LYS 15 22.146 -0.813 1.161 109 HB3 LYS 15 HB3 LYS 15 23.717 -0.447 1.910 110 HG2 LYS 15 HG2 LYS 15 21.763 1.809 1.496 111 HG3 LYS 15 HG3 LYS 15 21.469 0.662 2.825 112 HD2 LYS 15 HD3 LYS 15 22.807 2.407 3.771 113 HD3 LYS 15 HD2 LYS 15 23.926 1.050 3.494 114 HE2 LYS 15 HE2 LYS 15 24.994 2.123 1.716 115 HE3 LYS 15 HE3 LYS 15 23.537 3.064 1.283 116 HZ1 LYS 15 HZ1 LYS 15 25.173 4.431 2.436 117 HZ2 LYS 15 HZ2 LYS 15 25.138 3.428 3.744 118 HZ3 LYS 15 HZ3 LYS 15 23.797 4.295 3.335 119 H ASN 16 H ASN 16 22.026 -0.838 -1.686 120 HA ASN 16 HA ASN 16 24.044 -2.980 -2.075 121 HB2 ASN 16 HB2 ASN 16 21.353 -2.247 -3.323 122 HB3 ASN 16 HB3 ASN 16 22.255 -3.725 -3.737 123 HD21 ASN 16 HD21 ASN 16 20.670 -5.175 -2.791 124 HD22 ASN 16 HD22 ASN 16 20.429 -5.254 -1.060 125 H LEU 17 H LEU 17 23.046 0.009 -3.659 126 HA LEU 17 HA LEU 17 24.354 -0.605 -6.233 127 HB2 LEU 17 HB2 LEU 17 22.417 0.951 -5.880 128 HB3 LEU 17 HB3 LEU 17 23.479 2.024 -4.937 129 HG LEU 17 HG LEU 17 24.499 1.228 -7.624 130 HD11 LEU 17 HD11 LEU 17 22.090 1.574 -8.101 131 HD12 LEU 17 HD12 LEU 17 23.073 2.893 -8.781 132 HD13 LEU 17 HD13 LEU 17 22.154 3.151 -7.278 133 HD21 LEU 17 HD21 LEU 17 25.675 2.817 -6.124 134 HD22 LEU 17 HD22 LEU 17 24.244 3.876 -6.125 135 HD23 LEU 17 HD23 LEU 17 25.162 3.618 -7.628 136 H ILE 18 H ILE 18 25.313 0.831 -3.145 137 HA ILE 18 HA ILE 18 27.778 2.049 -4.247 138 HB ILE 18 HB ILE 18 28.208 2.454 -1.816 139 HG12 ILE 18 HG12 ILE 18 25.563 1.117 -1.214 140 HG13 ILE 18 HG13 ILE 18 27.059 0.153 -1.245 141 HG21 ILE 18 HG21 ILE 18 26.710 3.968 -3.088 142 HG22 ILE 18 HG22 ILE 18 26.186 3.819 -1.394 143 HG23 ILE 18 HG23 ILE 18 25.320 2.937 -2.674 144 HD11 ILE 18 HD11 ILE 18 28.086 1.717 0.397 145 HD12 ILE 18 HD12 ILE 18 26.604 0.971 1.042 146 HD13 ILE 18 HD13 ILE 18 26.569 2.647 0.445 147 H LYS 19 H LYS 19 26.811 -1.091 -3.023 148 HA LYS 19 HA LYS 19 29.412 -2.250 -3.758 149 HB2 LYS 19 HB2 LYS 19 28.867 -1.261 -1.019 150 HB3 LYS 19 HB3 LYS 19 29.403 -2.957 -1.061 151 HG2 LYS 19 HG3 LYS 19 31.527 -2.283 -1.425 152 HG3 LYS 19 HG2 LYS 19 31.014 -1.456 -2.915 153 HD2 LYS 19 HD2 LYS 19 30.113 0.337 -1.096 154 HD3 LYS 19 HD3 LYS 19 31.470 -0.349 -0.171 155 HE2 LYS 19 HE3 LYS 19 33.064 0.273 -1.845 156 HE3 LYS 19 HE2 LYS 19 31.788 0.586 -3.059 157 HZ1 LYS 19 HZ1 LYS 19 32.534 2.634 -1.993 158 HZ2 LYS 19 HZ2 LYS 19 32.139 2.044 -0.504 159 HZ3 LYS 19 HZ3 LYS 19 30.956 2.336 -1.616 160 HN1 NH2 20 H1 NH2 20 27.424 -3.376 -4.895 161 HN2 NH2 20 H2 NH2 20 26.716 -4.728 -4.038 Start of MODEL 9 1 H1 ACE 1 HH31 ACE 1 -1.728 -0.492 4.447 2 H2 ACE 1 HH32 ACE 1 -1.153 0.460 3.057 3 H3 ACE 1 HH33 ACE 1 -1.915 -1.127 2.794 4 H ILE 2 H ILE 2 0.401 -1.040 1.582 5 HA ILE 2 HA ILE 2 2.305 -2.461 3.470 6 HB ILE 2 HB ILE 2 1.891 -2.646 0.443 7 HG12 ILE 2 HG13 ILE 2 1.260 -4.789 2.493 8 HG13 ILE 2 HG12 ILE 2 0.068 -3.527 2.103 9 HG21 ILE 2 HG21 ILE 2 3.199 -4.930 1.237 10 HG22 ILE 2 HG22 ILE 2 3.913 -3.726 2.336 11 HG23 ILE 2 HG23 ILE 2 4.012 -3.492 0.574 12 HD11 ILE 2 HD11 ILE 2 -0.269 -5.537 0.690 13 HD12 ILE 2 HD12 ILE 2 0.209 -4.134 -0.296 14 HD13 ILE 2 HD13 ILE 2 1.402 -5.396 0.093 15 H PHE 3 H PHE 3 2.007 0.544 2.644 16 HA PHE 3 HA PHE 3 4.293 1.222 0.988 17 HB2 PHE 3 HB2 PHE 3 2.327 2.675 1.610 18 HB3 PHE 3 HB3 PHE 3 2.969 2.771 3.268 19 HD1 PHE 3 HD1 PHE 3 4.291 3.108 -0.245 20 HD2 PHE 3 HD2 PHE 3 4.197 4.681 3.750 21 HE1 PHE 3 HE1 PHE 3 5.796 4.953 -0.938 22 HE2 PHE 3 HE2 PHE 3 5.703 6.527 3.058 23 HZ PHE 3 HZ PHE 3 6.501 6.664 0.715 24 H GLY 4 H GLY 4 3.898 0.684 4.497 25 HA2 GLY 4 HA2 GLY 4 6.502 1.647 5.289 26 HA3 GLY 4 HA3 GLY 4 5.532 0.456 6.188 27 H ALA 5 H ALA 5 5.538 -1.172 3.515 28 HA ALA 5 HA ALA 5 8.030 -2.681 4.212 29 HB1 ALA 5 HB1 ALA 5 6.811 -4.450 3.405 30 HB2 ALA 5 HB2 ALA 5 6.302 -3.550 1.956 31 HB3 ALA 5 HB3 ALA 5 5.433 -3.327 3.493 32 H ILE 6 H ILE 6 6.845 -0.456 1.775 33 HA ILE 6 HA ILE 6 8.854 -1.270 -0.260 34 HB ILE 6 HB ILE 6 6.993 1.143 0.019 35 HG12 ILE 6 HG12 ILE 6 6.636 -1.399 -1.626 36 HG13 ILE 6 HG13 ILE 6 5.915 -1.164 -0.015 37 HG21 ILE 6 HG21 ILE 6 8.856 1.518 -1.575 38 HG22 ILE 6 HG22 ILE 6 7.304 1.353 -2.431 39 HG23 ILE 6 HG23 ILE 6 8.454 -0.006 -2.402 40 HD11 ILE 6 HD11 ILE 6 4.307 -0.564 -1.805 41 HD12 ILE 6 HD12 ILE 6 4.744 0.862 -0.835 42 HD13 ILE 6 HD13 ILE 6 5.465 0.627 -2.445 43 H TRP 7 H TRP 7 8.538 1.138 2.326 44 HA TRP 7 HA TRP 7 10.663 2.906 1.452 45 HB2 TRP 7 HB2 TRP 7 8.837 2.579 3.620 46 HB3 TRP 7 HB3 TRP 7 10.461 2.677 4.342 47 HD1 TRP 7 HD1 TRP 7 7.767 4.849 3.293 48 HE1 TRP 7 HE1 TRP 7 8.560 7.261 2.841 49 HE3 TRP 7 HE3 TRP 7 12.799 4.019 3.066 50 HZ2 TRP 7 HZ2 TRP 7 11.066 8.633 2.435 51 HZ3 TRP 7 HZ3 TRP 7 14.366 5.890 2.646 52 HH2 TRP 7 HH2 TRP 7 13.507 8.196 2.328 53 HA PRO 8 HA PRO 8 13.423 0.220 4.518 54 HB2 PRO 8 HB2 PRO 8 12.069 -2.415 4.057 55 HB3 PRO 8 HB3 PRO 8 12.769 -1.740 5.557 56 HG2 PRO 8 HG3 PRO 8 10.102 -1.893 5.109 57 HG3 PRO 8 HG2 PRO 8 10.855 -0.621 6.107 58 HD2 PRO 8 HD3 PRO 8 9.674 -0.457 3.385 59 HD3 PRO 8 HD2 PRO 8 9.855 0.815 4.629 60 H LEU 9 H LEU 9 11.792 -1.014 1.609 61 HA LEU 9 HA LEU 9 14.195 -2.415 0.603 62 HB2 LEU 9 HB2 LEU 9 11.486 -2.514 0.173 63 HB3 LEU 9 HB3 LEU 9 12.001 -1.552 -1.233 64 HG LEU 9 HG LEU 9 13.415 -4.126 -0.458 65 HD11 LEU 9 HD11 LEU 9 11.012 -4.638 -0.791 66 HD12 LEU 9 HD12 LEU 9 11.993 -5.272 -2.134 67 HD13 LEU 9 HD13 LEU 9 11.046 -3.781 -2.351 68 HD21 LEU 9 HD21 LEU 9 14.550 -2.571 -2.023 69 HD22 LEU 9 HD22 LEU 9 13.111 -2.574 -3.070 70 HD23 LEU 9 HD23 LEU 9 14.058 -4.066 -2.854 71 H ALA 10 H ALA 10 12.870 0.838 0.455 72 HA ALA 10 HA ALA 10 14.289 1.692 -1.961 73 HB1 ALA 10 HB1 ALA 10 13.649 3.945 -1.088 74 HB2 ALA 10 HB2 ALA 10 12.288 2.803 -0.990 75 HB3 ALA 10 HB3 ALA 10 13.218 3.206 0.473 76 H LEU 11 H LEU 11 15.115 1.459 1.475 77 HA LEU 11 HA LEU 11 17.572 3.103 1.185 78 HB2 LEU 11 HB2 LEU 11 16.331 1.325 3.329 79 HB3 LEU 11 HB3 LEU 11 17.882 2.166 3.567 80 HG LEU 11 HG LEU 11 15.286 3.556 2.772 81 HD11 LEU 11 HD11 LEU 11 15.130 2.582 5.050 82 HD12 LEU 11 HD12 LEU 11 16.672 3.356 5.485 83 HD13 LEU 11 HD13 LEU 11 15.246 4.357 5.121 84 HD21 LEU 11 HD21 LEU 11 17.377 4.706 2.089 85 HD22 LEU 11 HD22 LEU 11 16.557 5.595 3.394 86 HD23 LEU 11 HD23 LEU 11 17.983 4.595 3.760 87 H GLY 12 H GLY 12 16.659 -0.309 1.017 88 HA2 GLY 12 HA2 GLY 12 19.440 -1.274 1.243 89 HA3 GLY 12 HA3 GLY 12 18.025 -2.245 0.772 90 H ALA 13 H ALA 13 17.181 -0.434 -1.367 91 HA ALA 13 HA ALA 13 18.718 -1.556 -3.554 92 HB1 ALA 13 HB1 ALA 13 17.332 0.042 -4.883 93 HB2 ALA 13 HB2 ALA 13 16.355 -0.799 -3.655 94 HB3 ALA 13 HB3 ALA 13 16.877 0.881 -3.380 95 H LEU 14 H LEU 14 19.092 1.367 -1.621 96 HA LEU 14 HA LEU 14 20.960 2.628 -3.572 97 HB2 LEU 14 HB2 LEU 14 19.430 3.955 -2.163 98 HB3 LEU 14 HB3 LEU 14 20.121 3.230 -0.691 99 HG LEU 14 HG LEU 14 22.350 4.196 -1.313 100 HD11 LEU 14 HD11 LEU 14 21.960 4.333 -3.757 101 HD12 LEU 14 HD12 LEU 14 22.423 5.918 -3.093 102 HD13 LEU 14 HD13 LEU 14 20.721 5.582 -3.489 103 HD21 LEU 14 HD21 LEU 14 20.823 5.400 0.227 104 HD22 LEU 14 HD22 LEU 14 21.759 6.541 -0.767 105 HD23 LEU 14 HD23 LEU 14 20.057 6.205 -1.163 106 H LYS 15 H LYS 15 21.140 1.128 -0.308 107 HA LYS 15 HA LYS 15 24.012 1.407 -0.022 108 HB2 LYS 15 HB3 LYS 15 22.145 -0.744 1.092 109 HB3 LYS 15 HB2 LYS 15 23.684 -0.203 1.798 110 HG2 LYS 15 HG2 LYS 15 21.547 1.859 1.310 111 HG3 LYS 15 HG3 LYS 15 21.347 0.747 2.684 112 HD2 LYS 15 HD2 LYS 15 22.544 2.627 3.553 113 HD3 LYS 15 HD3 LYS 15 23.764 1.351 3.326 114 HE2 LYS 15 HE2 LYS 15 24.729 2.422 1.479 115 HE3 LYS 15 HE3 LYS 15 23.211 3.264 1.053 116 HZ1 LYS 15 HZ1 LYS 15 24.783 4.753 2.140 117 HZ2 LYS 15 HZ2 LYS 15 23.434 4.558 3.069 118 HZ3 LYS 15 HZ3 LYS 15 24.833 3.782 3.472 119 H ASN 16 H ASN 16 22.026 -0.791 -1.886 120 HA ASN 16 HA ASN 16 24.046 -2.932 -2.088 121 HB2 ASN 16 HB2 ASN 16 21.402 -2.147 -3.300 122 HB3 ASN 16 HB3 ASN 16 22.385 -3.350 -4.168 123 HD21 ASN 16 HD21 ASN 16 22.181 -2.873 -0.591 124 HD22 ASN 16 HD22 ASN 16 21.521 -4.461 -0.272 125 H LEU 17 H LEU 17 23.102 -0.080 -4.031 126 HA LEU 17 HA LEU 17 24.863 -0.747 -6.288 127 HB2 LEU 17 HB3 LEU 17 23.172 1.531 -5.290 128 HB3 LEU 17 HB2 LEU 17 24.417 1.917 -6.502 129 HG LEU 17 HG LEU 17 22.224 1.347 -7.554 130 HD11 LEU 17 HD11 LEU 17 24.344 0.879 -8.757 131 HD12 LEU 17 HD12 LEU 17 23.105 -0.340 -9.143 132 HD13 LEU 17 HD13 LEU 17 24.415 -0.732 -8.003 133 HD21 LEU 17 HD21 LEU 17 21.242 -0.823 -7.323 134 HD22 LEU 17 HD22 LEU 17 21.644 -0.309 -5.667 135 HD23 LEU 17 HD23 LEU 17 22.688 -1.474 -6.515 136 H ILE 18 H ILE 18 25.167 1.160 -3.301 137 HA ILE 18 HA ILE 18 27.889 2.110 -4.111 138 HB ILE 18 HB ILE 18 27.689 3.364 -1.976 139 HG12 ILE 18 HG13 ILE 18 25.055 2.897 -1.140 140 HG13 ILE 18 HG12 ILE 18 25.696 1.267 -1.458 141 HG21 ILE 18 HG21 ILE 18 25.663 4.675 -2.546 142 HG22 ILE 18 HG22 ILE 18 25.115 3.361 -3.615 143 HG23 ILE 18 HG23 ILE 18 26.597 4.268 -4.006 144 HD11 ILE 18 HD11 ILE 18 27.827 2.351 -0.162 145 HD12 ILE 18 HD12 ILE 18 26.511 3.275 0.600 146 HD13 ILE 18 HD13 ILE 18 26.512 1.497 0.680 147 H LYS 19 H LYS 19 26.387 -0.426 -2.204 148 HA LYS 19 HA LYS 19 29.157 -1.338 -1.393 149 HB2 LYS 19 HB2 LYS 19 27.087 -0.245 0.263 150 HB3 LYS 19 HB3 LYS 19 27.170 -1.987 0.616 151 HG2 LYS 19 HG3 LYS 19 29.624 -0.184 0.511 152 HG3 LYS 19 HG2 LYS 19 28.729 -0.529 2.010 153 HD2 LYS 19 HD2 LYS 19 29.033 -3.058 1.153 154 HD3 LYS 19 HD3 LYS 19 30.447 -2.342 0.343 155 HE2 LYS 19 HE2 LYS 19 31.209 -1.408 2.541 156 HE3 LYS 19 HE3 LYS 19 29.812 -2.196 3.332 157 HZ1 LYS 19 HZ1 LYS 19 31.773 -3.620 3.360 158 HZ2 LYS 19 HZ2 LYS 19 30.577 -4.300 2.451 159 HZ3 LYS 19 HZ3 LYS 19 31.865 -3.581 1.714 160 HN1 NH2 20 H1 NH2 20 29.131 -3.108 -2.920 161 HN2 NH2 20 H2 NH2 20 27.960 -4.403 -2.827 Start of MODEL 10 1 H1 ACE 1 HH31 ACE 1 -1.495 -2.080 3.986 2 H2 ACE 1 HH32 ACE 1 -1.574 -2.229 2.215 3 H3 ACE 1 HH33 ACE 1 -1.082 -0.688 2.958 4 H ILE 2 H ILE 2 0.696 -1.431 1.191 5 HA ILE 2 HA ILE 2 2.851 -2.887 2.762 6 HB ILE 2 HB ILE 2 3.657 -3.590 0.489 7 HG12 ILE 2 HG13 ILE 2 1.038 -2.439 -0.548 8 HG13 ILE 2 HG12 ILE 2 2.574 -1.545 -0.637 9 HG21 ILE 2 HG21 ILE 2 2.107 -5.036 1.776 10 HG22 ILE 2 HG22 ILE 2 0.719 -4.195 1.047 11 HG23 ILE 2 HG23 ILE 2 1.804 -5.169 0.027 12 HD11 ILE 2 HD11 ILE 2 2.149 -2.795 -2.736 13 HD12 ILE 2 HD12 ILE 2 2.055 -4.314 -1.812 14 HD13 ILE 2 HD13 ILE 2 3.592 -3.420 -1.901 15 H PHE 3 H PHE 3 2.094 0.086 2.514 16 HA PHE 3 HA PHE 3 4.146 1.368 0.868 17 HB2 PHE 3 HB2 PHE 3 2.700 2.368 3.368 18 HB3 PHE 3 HB3 PHE 3 3.396 3.366 2.069 19 HD1 PHE 3 HD1 PHE 3 0.383 2.326 3.294 20 HD2 PHE 3 HD2 PHE 3 2.581 2.286 -0.394 21 HE1 PHE 3 HE1 PHE 3 -1.745 2.156 2.029 22 HE2 PHE 3 HE2 PHE 3 0.456 2.117 -1.661 23 HZ PHE 3 HZ PHE 3 -1.707 2.054 -0.451 24 H GLY 4 H GLY 4 3.904 0.599 4.372 25 HA2 GLY 4 HA2 GLY 4 6.535 1.672 5.003 26 HA3 GLY 4 HA3 GLY 4 5.602 0.542 6.015 27 H ALA 5 H ALA 5 5.583 -1.053 3.202 28 HA ALA 5 HA ALA 5 7.953 -2.709 3.998 29 HB1 ALA 5 HB1 ALA 5 6.916 -4.290 2.366 30 HB2 ALA 5 HB2 ALA 5 5.724 -3.707 3.553 31 HB3 ALA 5 HB3 ALA 5 5.745 -3.030 1.907 32 H ILE 6 H ILE 6 6.901 -0.505 1.442 33 HA ILE 6 HA ILE 6 9.095 -1.293 -0.401 34 HB ILE 6 HB ILE 6 7.109 1.030 -0.310 35 HG12 ILE 6 HG13 ILE 6 6.059 -1.211 -0.468 36 HG13 ILE 6 HG12 ILE 6 5.876 -0.309 -1.989 37 HG21 ILE 6 HG21 ILE 6 8.672 1.834 -1.824 38 HG22 ILE 6 HG22 ILE 6 7.703 0.816 -2.915 39 HG23 ILE 6 HG23 ILE 6 9.243 0.206 -2.263 40 HD11 ILE 6 HD11 ILE 6 6.726 -2.855 -1.963 41 HD12 ILE 6 HD12 ILE 6 7.351 -1.677 -3.142 42 HD13 ILE 6 HD13 ILE 6 8.297 -2.065 -1.685 43 H TRP 7 H TRP 7 8.475 1.201 2.056 44 HA TRP 7 HA TRP 7 10.594 3.018 1.323 45 HB2 TRP 7 HB3 TRP 7 8.639 2.656 3.354 46 HB3 TRP 7 HB2 TRP 7 10.200 2.789 4.201 47 HD1 TRP 7 HD1 TRP 7 7.553 4.890 2.855 48 HE1 TRP 7 HE1 TRP 7 8.330 7.320 2.484 49 HE3 TRP 7 HE3 TRP 7 12.596 4.193 3.220 50 HZ2 TRP 7 HZ2 TRP 7 10.830 8.759 2.364 51 HZ3 TRP 7 HZ3 TRP 7 14.154 6.104 2.971 52 HH2 TRP 7 HH2 TRP 7 13.278 8.384 2.545 53 HA PRO 8 HA PRO 8 13.279 0.504 4.591 54 HB2 PRO 8 HB3 PRO 8 12.084 -2.196 4.086 55 HB3 PRO 8 HB2 PRO 8 12.657 -1.479 5.619 56 HG2 PRO 8 HG2 PRO 8 10.032 -1.766 5.008 57 HG3 PRO 8 HG3 PRO 8 10.657 -0.442 6.027 58 HD2 PRO 8 HD3 PRO 8 9.648 -0.375 3.234 59 HD3 PRO 8 HD2 PRO 8 9.681 0.919 4.469 60 H LEU 9 H LEU 9 11.887 -0.900 1.631 61 HA LEU 9 HA LEU 9 14.418 -2.169 0.790 62 HB2 LEU 9 HB2 LEU 9 12.119 -2.930 0.164 63 HB3 LEU 9 HB3 LEU 9 11.872 -1.409 -0.726 64 HG LEU 9 HG LEU 9 14.345 -2.946 -1.397 65 HD11 LEU 9 HD11 LEU 9 12.661 -4.755 -1.179 66 HD12 LEU 9 HD12 LEU 9 11.556 -3.853 -2.244 67 HD13 LEU 9 HD13 LEU 9 13.092 -4.483 -2.885 68 HD21 LEU 9 HD21 LEU 9 13.710 -0.831 -2.527 69 HD22 LEU 9 HD22 LEU 9 13.704 -2.195 -3.671 70 HD23 LEU 9 HD23 LEU 9 12.168 -1.565 -3.031 71 H ALA 10 H ALA 10 13.013 1.028 0.583 72 HA ALA 10 HA ALA 10 14.443 1.923 -1.809 73 HB1 ALA 10 HB1 ALA 10 13.407 3.949 -1.284 74 HB2 ALA 10 HB2 ALA 10 13.695 3.759 0.462 75 HB3 ALA 10 HB3 ALA 10 12.392 2.841 -0.330 76 H LEU 11 H LEU 11 15.229 1.729 1.647 77 HA LEU 11 HA LEU 11 17.676 3.389 1.361 78 HB2 LEU 11 HB2 LEU 11 16.536 1.578 3.545 79 HB3 LEU 11 HB3 LEU 11 17.955 2.631 3.757 80 HG LEU 11 HG LEU 11 15.467 3.887 2.651 81 HD11 LEU 11 HD11 LEU 11 14.601 2.470 4.493 82 HD12 LEU 11 HD12 LEU 11 14.547 4.194 4.933 83 HD13 LEU 11 HD13 LEU 11 15.828 3.147 5.590 84 HD21 LEU 11 HD21 LEU 11 16.280 5.764 4.055 85 HD22 LEU 11 HD22 LEU 11 17.569 5.159 2.988 86 HD23 LEU 11 HD23 LEU 11 17.561 4.716 4.711 87 H GLY 12 H GLY 12 16.792 -0.024 1.192 88 HA2 GLY 12 HA3 GLY 12 19.607 -0.931 1.466 89 HA3 GLY 12 HA2 GLY 12 18.202 -1.955 1.087 90 H ALA 13 H ALA 13 17.294 -0.210 -1.124 91 HA ALA 13 HA ALA 13 18.708 -1.472 -3.302 92 HB1 ALA 13 HB1 ALA 13 17.384 0.160 -4.654 93 HB2 ALA 13 HB2 ALA 13 16.395 -0.573 -3.368 94 HB3 ALA 13 HB3 ALA 13 17.026 1.079 -3.172 95 H LEU 14 H LEU 14 19.190 1.613 -1.617 96 HA LEU 14 HA LEU 14 21.097 2.663 -3.612 97 HB2 LEU 14 HB2 LEU 14 19.711 4.092 -2.153 98 HB3 LEU 14 HB3 LEU 14 20.444 3.360 -0.705 99 HG LEU 14 HG LEU 14 22.684 4.194 -1.475 100 HD11 LEU 14 HD11 LEU 14 22.156 4.320 -3.895 101 HD12 LEU 14 HD12 LEU 14 22.737 5.887 -3.285 102 HD13 LEU 14 HD13 LEU 14 20.999 5.634 -3.574 103 HD21 LEU 14 HD21 LEU 14 22.245 6.575 -0.935 104 HD22 LEU 14 HD22 LEU 14 20.507 6.319 -1.221 105 HD23 LEU 14 HD23 LEU 14 21.317 5.495 0.133 106 H LYS 15 H LYS 15 21.383 1.242 -0.311 107 HA LYS 15 HA LYS 15 24.238 1.356 -0.096 108 HB2 LYS 15 HB3 LYS 15 22.037 0.390 1.333 109 HB3 LYS 15 HB2 LYS 15 22.962 -1.088 0.973 110 HG2 LYS 15 HG3 LYS 15 24.345 -0.548 2.680 111 HG3 LYS 15 HG2 LYS 15 24.891 0.846 1.717 112 HD2 LYS 15 HD2 LYS 15 22.453 0.863 3.550 113 HD3 LYS 15 HD3 LYS 15 24.057 1.489 4.001 114 HE2 LYS 15 HE3 LYS 15 23.004 2.501 1.402 115 HE3 LYS 15 HE2 LYS 15 22.101 3.038 2.849 116 HZ1 LYS 15 HZ1 LYS 15 24.025 4.449 2.419 117 HZ2 LYS 15 HZ2 LYS 15 25.040 3.153 2.506 118 HZ3 LYS 15 HZ3 LYS 15 24.215 3.646 3.847 119 H ASN 16 H ASN 16 22.128 -0.982 -1.768 120 HA ASN 16 HA ASN 16 24.258 -2.927 -2.305 121 HB2 ASN 16 HB3 ASN 16 21.462 -2.296 -3.286 122 HB3 ASN 16 HB2 ASN 16 22.437 -3.510 -4.148 123 HD21 ASN 16 HD21 ASN 16 21.473 -2.645 -0.751 124 HD22 ASN 16 HD22 ASN 16 21.333 -4.307 -0.225 125 H LEU 17 H LEU 17 22.960 -0.069 -3.996 126 HA LEU 17 HA LEU 17 24.377 -0.548 -6.509 127 HB2 LEU 17 HB3 LEU 17 22.373 0.914 -6.165 128 HB3 LEU 17 HB2 LEU 17 23.370 2.020 -5.189 129 HG LEU 17 HG LEU 17 24.920 1.840 -7.420 130 HD11 LEU 17 HD11 LEU 17 23.288 0.370 -8.572 131 HD12 LEU 17 HD12 LEU 17 22.026 1.607 -8.362 132 HD13 LEU 17 HD13 LEU 17 23.433 1.939 -9.401 133 HD21 LEU 17 HD21 LEU 17 24.116 3.912 -6.321 134 HD22 LEU 17 HD22 LEU 17 23.917 4.005 -8.087 135 HD23 LEU 17 HD23 LEU 17 22.509 3.674 -7.048 136 H ILE 18 H ILE 18 25.225 0.986 -3.429 137 HA ILE 18 HA ILE 18 27.748 2.107 -4.585 138 HB ILE 18 HB ILE 18 27.965 3.001 -2.257 139 HG12 ILE 18 HG12 ILE 18 25.274 1.734 -1.662 140 HG13 ILE 18 HG13 ILE 18 26.791 0.878 -1.295 141 HG21 ILE 18 HG21 ILE 18 26.601 4.216 -3.937 142 HG22 ILE 18 HG22 ILE 18 25.929 4.409 -2.300 143 HG23 ILE 18 HG23 ILE 18 25.168 3.280 -3.447 144 HD11 ILE 18 HD11 ILE 18 25.999 2.168 0.669 145 HD12 ILE 18 HD12 ILE 18 27.549 2.806 0.068 146 HD13 ILE 18 HD13 ILE 18 26.032 3.662 -0.299 147 H LYS 19 H LYS 19 26.624 -0.717 -2.834 148 HA LYS 19 HA LYS 19 29.317 -1.423 -1.795 149 HB2 LYS 19 HB2 LYS 19 26.549 -2.672 -1.930 150 HB3 LYS 19 HB3 LYS 19 27.943 -3.613 -1.349 151 HG2 LYS 19 HG3 LYS 19 27.631 -0.873 -0.200 152 HG3 LYS 19 HG2 LYS 19 26.406 -2.072 0.282 153 HD2 LYS 19 HD2 LYS 19 28.355 -3.657 0.796 154 HD3 LYS 19 HD3 LYS 19 29.427 -2.249 0.611 155 HE2 LYS 19 HE2 LYS 19 27.073 -1.754 2.359 156 HE3 LYS 19 HE3 LYS 19 28.222 -2.972 2.985 157 HZ1 LYS 19 HZ1 LYS 19 28.919 -0.719 3.544 158 HZ2 LYS 19 HZ2 LYS 19 30.012 -1.428 2.533 159 HZ3 LYS 19 HZ3 LYS 19 28.959 -0.300 1.949 160 HN1 NH2 20 H1 NH2 20 29.725 -4.061 -2.390 161 HN2 NH2 20 H2 NH2 20 29.882 -4.312 -4.114
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