NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
650158 | 6saa | 34417 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ARG 1 H1 ARG 1 12.067 -2.834 -0.176 2 H2 ARG 1 H2 ARG 1 11.228 -2.567 -1.541 3 H3 ARG 1 H3 ARG 1 10.699 -3.664 -0.468 4 HA ARG 1 HA ARG 1 10.279 -2.000 1.160 5 HB2 ARG 1 HB2 ARG 1 11.979 -0.434 0.584 6 HB3 ARG 1 HB3 ARG 1 11.313 -0.190 -1.021 7 HG2 ARG 1 HG2 ARG 1 9.280 0.778 0.073 8 HG3 ARG 1 HG3 ARG 1 10.146 0.691 1.610 9 HD2 ARG 1 HD2 ARG 1 11.892 2.136 0.719 10 HD3 ARG 1 HD3 ARG 1 11.065 2.197 -0.834 11 HE ARG 1 HE ARG 1 9.555 3.119 1.476 12 HH11 ARG 1 HH11 ARG 1 11.563 3.956 -1.260 13 HH12 ARG 1 HH12 ARG 1 11.022 5.600 -1.324 14 HH21 ARG 1 HH21 ARG 1 8.837 5.274 1.412 15 HH22 ARG 1 HH22 ARG 1 9.463 6.357 0.208 16 H CYS 2 H CYS 2 8.214 -2.382 1.201 17 HA CYS 2 HA CYS 2 6.371 -0.972 -0.361 18 HB2 CYS 2 HB2 CYS 2 5.351 -2.756 -1.688 19 HB3 CYS 2 HB3 CYS 2 7.033 -2.544 -2.149 20 H LEU 3 H LEU 3 4.257 -1.266 0.322 21 HA LEU 3 HA LEU 3 4.026 -2.251 3.012 22 HB2 LEU 3 HB2 LEU 3 2.026 -0.960 1.158 23 HB3 LEU 3 HB3 LEU 3 1.751 -1.284 2.856 24 HG LEU 3 HG LEU 3 3.844 0.596 1.755 25 HD11 LEU 3 HD11 LEU 3 1.220 1.176 3.115 26 HD12 LEU 3 HD12 LEU 3 1.588 1.441 1.410 27 HD13 LEU 3 HD13 LEU 3 2.430 2.372 2.651 28 HD21 LEU 3 HD21 LEU 3 4.534 -0.381 3.862 29 HD22 LEU 3 HD22 LEU 3 2.980 0.035 4.583 30 HD23 LEU 3 HD23 LEU 3 4.090 1.311 4.085 31 H HIS 4 H HIS 4 3.055 -4.097 3.648 32 HA HIS 4 HA HIS 4 2.279 -5.996 1.624 33 HB2 HIS 4 HB2 HIS 4 2.190 -7.626 3.359 34 HB3 HIS 4 HB3 HIS 4 3.575 -6.609 3.711 35 HD1 HIS 4 HD1 HIS 4 1.114 -8.281 5.468 36 HD2 HIS 4 HD2 HIS 4 2.438 -4.353 5.560 37 HE1 HIS 4 HE1 HIS 4 0.408 -7.388 7.709 38 HE2 HIS 4 HE2 HIS 4 1.063 -4.951 7.665 39 H ALA 5 H ALA 5 0.256 -7.429 2.480 40 HA ALA 5 HA ALA 5 -2.009 -5.900 1.855 41 HB1 ALA 5 HB1 ALA 5 -1.826 -8.296 1.370 42 HB2 ALA 5 HB2 ALA 5 -3.285 -7.915 2.283 43 HB3 ALA 5 HB3 ALA 5 -1.902 -8.644 3.097 44 H GLY 6 H GLY 6 -3.255 -4.710 3.036 45 HA2 GLY 6 HA2 GLY 6 -4.679 -4.316 4.902 46 HA3 GLY 6 HA3 GLY 6 -3.617 -5.320 5.889 47 H ALA 7 H ALA 7 -2.114 -3.013 3.825 48 HA ALA 7 HA ALA 7 -1.432 -1.413 6.212 49 HB1 ALA 7 HB1 ALA 7 0.455 -2.337 4.966 50 HB2 ALA 7 HB2 ALA 7 0.452 -0.574 4.898 51 HB3 ALA 7 HB3 ALA 7 -0.098 -1.511 3.509 52 H ALA 8 H ALA 8 -2.096 0.704 6.392 53 HA ALA 8 HA ALA 8 -4.186 1.567 4.714 54 HB1 ALA 8 HB1 ALA 8 -3.967 2.245 7.070 55 HB2 ALA 8 HB2 ALA 8 -4.207 3.608 5.975 56 HB3 ALA 8 HB3 ALA 8 -2.600 3.267 6.624 57 H CYS 9 H CYS 9 -4.145 2.437 2.795 58 HA CYS 9 HA CYS 9 -2.157 4.447 2.123 59 HB2 CYS 9 HB2 CYS 9 -1.303 3.409 0.186 60 HB3 CYS 9 HB3 CYS 9 -1.277 2.144 1.407 61 H SER 10 H SER 10 -2.670 5.031 -0.399 62 HA SER 10 HA SER 10 -4.121 5.948 -1.894 63 HB2 SER 10 HB2 SER 10 -6.315 4.424 -0.468 64 HB3 SER 10 HB3 SER 10 -6.431 5.187 -2.054 65 HG SER 10 HG SER 10 -4.587 3.134 -1.401 66 H GLY 11 H GLY 11 -3.738 6.730 1.079 67 HA2 GLY 11 HA2 GLY 11 -5.939 8.657 1.316 68 HA3 GLY 11 HA3 GLY 11 -4.822 8.211 2.598 69 HA PRO 12 HA PRO 12 -3.716 12.573 1.138 70 HB2 PRO 12 HB2 PRO 12 -2.678 12.185 3.920 71 HB3 PRO 12 HB3 PRO 12 -3.357 13.633 3.168 72 HG2 PRO 12 HG2 PRO 12 -4.816 12.128 4.818 73 HG3 PRO 12 HG3 PRO 12 -5.533 12.898 3.393 74 HD2 PRO 12 HD2 PRO 12 -4.920 10.048 3.887 75 HD3 PRO 12 HD3 PRO 12 -6.110 10.780 2.797 76 H ILE 13 H ILE 13 -1.657 13.400 0.767 77 HA ILE 13 HA ILE 13 -0.051 12.169 -0.779 78 HB ILE 13 HB ILE 13 0.457 14.419 -0.153 79 HG12 ILE 13 HG12 ILE 13 2.874 12.647 0.275 80 HG13 ILE 13 HG13 ILE 13 2.218 13.123 -1.286 81 HG21 ILE 13 HG21 ILE 13 0.122 14.249 2.247 82 HG22 ILE 13 HG22 ILE 13 1.677 14.992 1.879 83 HG23 ILE 13 HG23 ILE 13 1.604 13.309 2.399 84 HD11 ILE 13 HD11 ILE 13 4.155 14.448 -0.752 85 HD12 ILE 13 HD12 ILE 13 3.425 14.952 0.773 86 HD13 ILE 13 HD13 ILE 13 2.715 15.466 -0.758 87 H GLN 14 H GLN 14 0.126 10.007 -0.619 88 HA GLN 14 HA GLN 14 1.966 8.981 1.431 89 HB2 GLN 14 HB2 GLN 14 -0.186 8.060 1.914 90 HB3 GLN 14 HB3 GLN 14 -0.481 7.695 0.221 91 HG2 GLN 14 HG2 GLN 14 1.902 6.371 1.155 92 HG3 GLN 14 HG3 GLN 14 0.520 5.979 2.171 93 HE21 GLN 14 HE21 GLN 14 2.020 4.310 0.282 94 HE22 GLN 14 HE22 GLN 14 0.876 3.711 -0.871 95 H LYS 15 H LYS 15 3.792 9.253 0.088 96 HA LYS 15 HA LYS 15 3.787 7.486 -2.240 97 HB2 LYS 15 HB2 LYS 15 6.177 8.310 -2.494 98 HB3 LYS 15 HB3 LYS 15 4.922 9.525 -2.691 99 HG2 LYS 15 HG2 LYS 15 5.330 10.376 -0.478 100 HG3 LYS 15 HG3 LYS 15 6.488 9.086 -0.160 101 HD2 LYS 15 HD2 LYS 15 7.669 11.124 -0.691 102 HD3 LYS 15 HD3 LYS 15 7.903 9.951 -1.986 103 HE2 LYS 15 HE2 LYS 15 6.215 11.067 -3.331 104 HE3 LYS 15 HE3 LYS 15 5.905 12.210 -2.023 105 HZ1 LYS 15 HZ1 LYS 15 7.357 13.159 -3.646 106 HZ2 LYS 15 HZ2 LYS 15 8.420 11.938 -3.507 107 HZ3 LYS 15 HZ3 LYS 15 8.187 12.954 -2.260 108 H ILE 16 H ILE 16 3.777 5.506 -1.569 109 HA ILE 16 HA ILE 16 6.153 4.229 -0.683 110 HB ILE 16 HB ILE 16 3.747 3.804 1.106 111 HG12 ILE 16 HG12 ILE 16 6.302 5.284 1.736 112 HG13 ILE 16 HG13 ILE 16 4.675 5.946 1.741 113 HG21 ILE 16 HG21 ILE 16 5.239 2.361 2.376 114 HG22 ILE 16 HG22 ILE 16 6.575 2.764 1.301 115 HG23 ILE 16 HG23 ILE 16 5.197 1.852 0.685 116 HD11 ILE 16 HD11 ILE 16 5.473 5.544 3.992 117 HD12 ILE 16 HD12 ILE 16 5.718 3.840 3.610 118 HD13 ILE 16 HD13 ILE 16 4.090 4.517 3.617 119 HA PRO 17 HA PRO 17 3.362 2.015 -3.479 120 HB2 PRO 17 HB2 PRO 17 5.248 0.390 -4.607 121 HB3 PRO 17 HB3 PRO 17 4.961 2.050 -5.137 122 HG2 PRO 17 HG2 PRO 17 7.107 0.967 -3.368 123 HG3 PRO 17 HG3 PRO 17 7.205 2.231 -4.606 124 HD2 PRO 17 HD2 PRO 17 7.069 2.743 -1.924 125 HD3 PRO 17 HD3 PRO 17 6.479 3.862 -3.166 126 H CYS 18 H CYS 18 2.127 0.430 -2.694 127 HA CYS 18 HA CYS 18 3.172 -1.460 -0.778 128 HB2 CYS 18 HB2 CYS 18 0.468 -1.645 -2.058 129 HB3 CYS 18 HB3 CYS 18 0.977 -2.162 -0.458 130 H CYS 19 H CYS 19 3.353 -3.725 -1.091 131 HA CYS 19 HA CYS 19 3.456 -4.556 -3.872 132 HB2 CYS 19 HB2 CYS 19 3.548 -6.769 -2.127 133 HB3 CYS 19 HB3 CYS 19 4.903 -6.040 -2.975 134 H GLY 20 H GLY 20 1.306 -3.997 -4.293 135 HA2 GLY 20 HA2 GLY 20 -0.704 -5.868 -4.133 136 HA3 GLY 20 HA3 GLY 20 -0.872 -4.870 -2.692 137 H THR 21 H THR 21 -2.968 -4.702 -4.213 138 HA THR 21 HA THR 21 -2.720 -2.272 -5.818 139 HB THR 21 HB THR 21 -5.230 -3.771 -5.039 140 HG1 THR 21 HG1 THR 21 -3.922 -3.967 -7.554 141 HG21 THR 21 HG21 THR 21 -6.197 -2.641 -6.991 142 HG22 THR 21 HG22 THR 21 -4.672 -1.793 -7.249 143 HG23 THR 21 HG23 THR 21 -5.616 -1.486 -5.792 144 H CYS 22 H CYS 22 -3.275 -0.235 -5.010 145 HA CYS 22 HA CYS 22 -3.820 -0.060 -2.181 146 HB2 CYS 22 HB2 CYS 22 -2.858 1.717 -4.286 147 HB3 CYS 22 HB3 CYS 22 -3.983 2.503 -3.186 148 H SER 23 H SER 23 -5.784 0.069 -1.296 149 HA SER 23 HA SER 23 -7.981 1.363 -2.653 150 HB2 SER 23 HB2 SER 23 -7.858 -1.008 -3.601 151 HB3 SER 23 HB3 SER 23 -8.273 -1.572 -1.985 152 HG SER 23 HG SER 23 -9.862 -0.453 -3.907 153 H ARG 24 H ARG 24 -9.500 2.061 -1.225 154 HA ARG 24 HA ARG 24 -10.455 2.657 0.741 155 HB2 ARG 24 HB2 ARG 24 -11.496 0.826 1.943 156 HB3 ARG 24 HB3 ARG 24 -11.584 0.548 0.211 157 HG2 ARG 24 HG2 ARG 24 -9.734 -1.027 0.355 158 HG3 ARG 24 HG3 ARG 24 -9.605 -0.728 2.087 159 HD2 ARG 24 HD2 ARG 24 -10.800 -2.755 1.794 160 HD3 ARG 24 HD3 ARG 24 -11.955 -1.526 2.311 161 HE ARG 24 HE ARG 24 -11.963 -1.564 -0.471 162 HH11 ARG 24 HH11 ARG 24 -12.819 -3.687 2.178 163 HH12 ARG 24 HH12 ARG 24 -14.047 -4.518 1.277 164 HH21 ARG 24 HH21 ARG 24 -13.576 -2.653 -1.657 165 HH22 ARG 24 HH22 ARG 24 -14.479 -3.928 -0.907 166 H ARG 25 H ARG 25 -7.806 3.202 1.084 167 HA ARG 25 HA ARG 25 -6.189 3.533 2.632 168 HB2 ARG 25 HB2 ARG 25 -8.612 3.116 4.316 169 HB3 ARG 25 HB3 ARG 25 -7.045 3.153 5.111 170 HG2 ARG 25 HG2 ARG 25 -6.605 5.352 4.242 171 HG3 ARG 25 HG3 ARG 25 -8.109 5.319 3.316 172 HD2 ARG 25 HD2 ARG 25 -9.397 5.221 5.371 173 HD3 ARG 25 HD3 ARG 25 -7.914 5.163 6.321 174 HE ARG 25 HE ARG 25 -8.031 7.465 4.637 175 HH11 ARG 25 HH11 ARG 25 -9.183 6.146 7.670 176 HH12 ARG 25 HH12 ARG 25 -9.361 7.698 8.423 177 HH21 ARG 25 HH21 ARG 25 -8.265 9.514 5.635 178 HH22 ARG 25 HH22 ARG 25 -8.844 9.610 7.267 179 H LYS 26 H LYS 26 -6.451 0.942 1.444 180 HA LYS 26 HA LYS 26 -4.793 -0.515 3.353 181 HB2 LYS 26 HB2 LYS 26 -7.086 -1.779 1.857 182 HB3 LYS 26 HB3 LYS 26 -5.914 -2.629 2.835 183 HG2 LYS 26 HG2 LYS 26 -6.755 -1.668 4.838 184 HG3 LYS 26 HG3 LYS 26 -7.785 -0.554 3.935 185 HD2 LYS 26 HD2 LYS 26 -9.184 -2.312 3.185 186 HD3 LYS 26 HD3 LYS 26 -8.054 -3.546 3.728 187 HE2 LYS 26 HE2 LYS 26 -8.460 -2.808 6.065 188 HE3 LYS 26 HE3 LYS 26 -9.675 -1.684 5.455 189 HZ1 LYS 26 HZ1 LYS 26 -9.767 -4.597 5.140 190 HZ2 LYS 26 HZ2 LYS 26 -10.897 -3.556 4.614 191 HZ3 LYS 26 HZ3 LYS 26 -10.647 -3.742 6.211 192 H CYS 27 H CYS 27 -3.103 -1.437 2.393 193 HA CYS 27 HA CYS 27 -2.915 -1.620 -0.483 194 HB2 CYS 27 HB2 CYS 27 -1.058 -2.728 1.636 195 HB3 CYS 27 HB3 CYS 27 -0.700 -2.487 -0.061 196 H THR 28 H THR 28 -3.618 -3.357 -1.564 197 HA THR 28 HA THR 28 -4.589 -5.599 0.072 198 HB THR 28 HB THR 28 -6.265 -6.017 -1.626 199 HG1 THR 28 HG1 THR 28 -4.661 -5.011 -3.293 200 HG21 THR 28 HG21 THR 28 -6.108 -3.073 -0.960 201 HG22 THR 28 HG22 THR 28 -6.856 -4.329 0.027 202 HG23 THR 28 HG23 THR 28 -7.549 -3.907 -1.540 Start of MODEL 2 1 H1 ARG 1 H1 ARG 1 11.139 -1.020 -1.915 2 H2 ARG 1 H2 ARG 1 10.958 -2.524 -1.330 3 H3 ARG 1 H3 ARG 1 12.136 -1.567 -0.750 4 HA ARG 1 HA ARG 1 10.346 -1.706 0.810 5 HB2 ARG 1 HB2 ARG 1 11.585 0.341 0.836 6 HB3 ARG 1 HB3 ARG 1 10.720 0.957 -0.563 7 HG2 ARG 1 HG2 ARG 1 8.631 0.866 0.849 8 HG3 ARG 1 HG3 ARG 1 9.681 0.548 2.228 9 HD2 ARG 1 HD2 ARG 1 9.157 2.904 2.114 10 HD3 ARG 1 HD3 ARG 1 10.871 2.655 1.782 11 HE ARG 1 HE ARG 1 9.785 2.683 -0.686 12 HH11 ARG 1 HH11 ARG 1 9.515 4.872 2.039 13 HH12 ARG 1 HH12 ARG 1 9.276 6.273 1.043 14 HH21 ARG 1 HH21 ARG 1 9.474 4.523 -1.991 15 HH22 ARG 1 HH22 ARG 1 9.259 6.078 -1.249 16 H CYS 2 H CYS 2 8.334 -2.369 0.889 17 HA CYS 2 HA CYS 2 6.299 -0.926 -0.529 18 HB2 CYS 2 HB2 CYS 2 5.354 -2.772 -1.758 19 HB3 CYS 2 HB3 CYS 2 7.032 -2.569 -2.233 20 H LEU 3 H LEU 3 4.264 -1.237 0.261 21 HA LEU 3 HA LEU 3 4.113 -2.232 2.963 22 HB2 LEU 3 HB2 LEU 3 2.097 -0.880 1.172 23 HB3 LEU 3 HB3 LEU 3 1.822 -1.264 2.858 24 HG LEU 3 HG LEU 3 3.964 0.615 1.858 25 HD11 LEU 3 HD11 LEU 3 1.286 1.226 3.095 26 HD12 LEU 3 HD12 LEU 3 1.739 1.502 1.413 27 HD13 LEU 3 HD13 LEU 3 2.539 2.403 2.703 28 HD21 LEU 3 HD21 LEU 3 4.093 1.296 4.213 29 HD22 LEU 3 HD22 LEU 3 4.536 -0.394 3.981 30 HD23 LEU 3 HD23 LEU 3 2.950 0.021 4.631 31 H HIS 4 H HIS 4 2.940 -3.999 3.651 32 HA HIS 4 HA HIS 4 2.159 -5.859 1.553 33 HB2 HIS 4 HB2 HIS 4 2.290 -7.581 3.125 34 HB3 HIS 4 HB3 HIS 4 3.559 -6.483 3.630 35 HD1 HIS 4 HD1 HIS 4 0.886 -8.427 4.958 36 HD2 HIS 4 HD2 HIS 4 2.500 -4.709 5.840 37 HE1 HIS 4 HE1 HIS 4 0.180 -7.928 7.321 38 HE2 HIS 4 HE2 HIS 4 1.099 -5.634 7.805 39 H ALA 5 H ALA 5 0.178 -7.336 2.485 40 HA ALA 5 HA ALA 5 -2.091 -5.794 1.923 41 HB1 ALA 5 HB1 ALA 5 -1.993 -8.534 3.174 42 HB2 ALA 5 HB2 ALA 5 -1.893 -8.206 1.445 43 HB3 ALA 5 HB3 ALA 5 -3.361 -7.804 2.334 44 H GLY 6 H GLY 6 -3.240 -4.547 3.138 45 HA2 GLY 6 HA2 GLY 6 -4.686 -4.255 5.037 46 HA3 GLY 6 HA3 GLY 6 -3.532 -5.173 6.004 47 H ALA 7 H ALA 7 -2.069 -2.912 3.901 48 HA ALA 7 HA ALA 7 -1.494 -1.221 6.261 49 HB1 ALA 7 HB1 ALA 7 0.455 -0.432 5.010 50 HB2 ALA 7 HB2 ALA 7 -0.030 -1.417 3.630 51 HB3 ALA 7 HB3 ALA 7 0.448 -2.191 5.140 52 H ALA 8 H ALA 8 -2.396 0.779 6.395 53 HA ALA 8 HA ALA 8 -4.367 1.538 4.571 54 HB1 ALA 8 HB1 ALA 8 -3.024 3.432 6.477 55 HB2 ALA 8 HB2 ALA 8 -4.231 2.241 6.963 56 HB3 ALA 8 HB3 ALA 8 -4.664 3.517 5.824 57 H CYS 9 H CYS 9 -4.309 2.434 2.663 58 HA CYS 9 HA CYS 9 -2.281 4.401 1.979 59 HB2 CYS 9 HB2 CYS 9 -1.374 3.272 0.126 60 HB3 CYS 9 HB3 CYS 9 -1.432 2.044 1.386 61 H SER 10 H SER 10 -2.710 5.013 -0.506 62 HA SER 10 HA SER 10 -4.105 6.019 -2.002 63 HB2 SER 10 HB2 SER 10 -6.375 4.437 -0.768 64 HB3 SER 10 HB3 SER 10 -6.369 5.233 -2.341 65 HG SER 10 HG SER 10 -4.659 3.106 -1.564 66 H GLY 11 H GLY 11 -3.831 6.601 1.013 67 HA2 GLY 11 HA2 GLY 11 -6.044 8.506 1.313 68 HA3 GLY 11 HA3 GLY 11 -4.961 7.975 2.595 69 HA PRO 12 HA PRO 12 -3.701 12.370 1.399 70 HB2 PRO 12 HB2 PRO 12 -2.863 11.895 4.229 71 HB3 PRO 12 HB3 PRO 12 -3.477 13.369 3.473 72 HG2 PRO 12 HG2 PRO 12 -5.051 11.843 4.995 73 HG3 PRO 12 HG3 PRO 12 -5.672 12.653 3.547 74 HD2 PRO 12 HD2 PRO 12 -5.094 9.786 4.003 75 HD3 PRO 12 HD3 PRO 12 -6.239 10.550 2.886 76 H ILE 13 H ILE 13 -1.563 13.195 1.379 77 HA ILE 13 HA ILE 13 0.200 12.076 -0.080 78 HB ILE 13 HB ILE 13 0.692 14.221 0.840 79 HG12 ILE 13 HG12 ILE 13 2.946 12.255 1.325 80 HG13 ILE 13 HG13 ILE 13 2.549 13.039 -0.198 81 HG21 ILE 13 HG21 ILE 13 1.455 12.812 3.387 82 HG22 ILE 13 HG22 ILE 13 0.030 13.818 3.144 83 HG23 ILE 13 HG23 ILE 13 1.639 14.536 3.063 84 HD11 ILE 13 HD11 ILE 13 3.122 15.203 0.753 85 HD12 ILE 13 HD12 ILE 13 4.472 14.074 0.862 86 HD13 ILE 13 HD13 ILE 13 3.503 14.430 2.291 87 H GLN 14 H GLN 14 0.685 10.039 -0.289 88 HA GLN 14 HA GLN 14 2.179 8.718 1.848 89 HB2 GLN 14 HB2 GLN 14 -0.028 7.832 2.159 90 HB3 GLN 14 HB3 GLN 14 -0.246 7.603 0.431 91 HG2 GLN 14 HG2 GLN 14 2.047 6.131 1.219 92 HG3 GLN 14 HG3 GLN 14 0.750 5.770 2.352 93 HE21 GLN 14 HE21 GLN 14 1.989 4.076 0.300 94 HE22 GLN 14 HE22 GLN 14 0.717 3.564 -0.757 95 H LYS 15 H LYS 15 4.018 9.180 0.486 96 HA LYS 15 HA LYS 15 4.012 7.619 -1.982 97 HB2 LYS 15 HB2 LYS 15 6.353 8.552 -2.230 98 HB3 LYS 15 HB3 LYS 15 5.064 9.745 -2.231 99 HG2 LYS 15 HG2 LYS 15 5.547 10.283 0.099 100 HG3 LYS 15 HG3 LYS 15 6.840 9.083 0.107 101 HD2 LYS 15 HD2 LYS 15 8.034 10.328 -1.606 102 HD3 LYS 15 HD3 LYS 15 6.721 11.505 -1.687 103 HE2 LYS 15 HE2 LYS 15 7.126 12.131 0.635 104 HE3 LYS 15 HE3 LYS 15 8.415 10.934 0.741 105 HZ1 LYS 15 HZ1 LYS 15 9.599 12.171 -0.940 106 HZ2 LYS 15 HZ2 LYS 15 9.285 13.119 0.341 107 HZ3 LYS 15 HZ3 LYS 15 8.411 13.281 -1.018 108 H ILE 16 H ILE 16 4.018 5.606 -1.447 109 HA ILE 16 HA ILE 16 6.373 4.213 -0.778 110 HB ILE 16 HB ILE 16 4.101 3.898 1.215 111 HG12 ILE 16 HG12 ILE 16 6.873 5.023 1.581 112 HG13 ILE 16 HG13 ILE 16 5.343 5.836 1.874 113 HG21 ILE 16 HG21 ILE 16 5.177 1.797 0.596 114 HG22 ILE 16 HG22 ILE 16 5.545 2.224 2.268 115 HG23 ILE 16 HG23 ILE 16 6.753 2.472 1.008 116 HD11 ILE 16 HD11 ILE 16 6.431 3.517 3.440 117 HD12 ILE 16 HD12 ILE 16 4.892 4.329 3.731 118 HD13 ILE 16 HD13 ILE 16 6.408 5.204 3.953 119 HA PRO 17 HA PRO 17 3.305 2.135 -3.409 120 HB2 PRO 17 HB2 PRO 17 5.059 0.467 -4.684 121 HB3 PRO 17 HB3 PRO 17 4.762 2.134 -5.186 122 HG2 PRO 17 HG2 PRO 17 7.029 0.999 -3.616 123 HG3 PRO 17 HG3 PRO 17 7.039 2.284 -4.836 124 HD2 PRO 17 HD2 PRO 17 7.141 2.736 -2.137 125 HD3 PRO 17 HD3 PRO 17 6.490 3.900 -3.307 126 H CYS 18 H CYS 18 2.111 0.447 -2.752 127 HA CYS 18 HA CYS 18 3.171 -1.417 -0.816 128 HB2 CYS 18 HB2 CYS 18 0.480 -1.640 -2.110 129 HB3 CYS 18 HB3 CYS 18 0.989 -2.154 -0.510 130 H CYS 19 H CYS 19 3.385 -3.677 -1.124 131 HA CYS 19 HA CYS 19 3.435 -4.540 -3.895 132 HB2 CYS 19 HB2 CYS 19 3.610 -6.735 -2.168 133 HB3 CYS 19 HB3 CYS 19 4.949 -5.953 -2.990 134 H GLY 20 H GLY 20 1.273 -4.023 -4.286 135 HA2 GLY 20 HA2 GLY 20 -0.706 -5.920 -4.024 136 HA3 GLY 20 HA3 GLY 20 -0.864 -4.870 -2.617 137 H THR 21 H THR 21 -2.990 -4.796 -4.123 138 HA THR 21 HA THR 21 -2.786 -2.412 -5.805 139 HB THR 21 HB THR 21 -5.256 -3.933 -4.943 140 HG1 THR 21 HG1 THR 21 -3.349 -4.825 -6.468 141 HG21 THR 21 HG21 THR 21 -4.803 -2.019 -7.232 142 HG22 THR 21 HG22 THR 21 -5.684 -1.656 -5.750 143 HG23 THR 21 HG23 THR 21 -6.307 -2.866 -6.870 144 H CYS 22 H CYS 22 -3.559 -0.361 -5.116 145 HA CYS 22 HA CYS 22 -3.923 -0.137 -2.238 146 HB2 CYS 22 HB2 CYS 22 -2.893 1.575 -4.356 147 HB3 CYS 22 HB3 CYS 22 -4.015 2.422 -3.299 148 H SER 23 H SER 23 -5.915 -0.280 -1.460 149 HA SER 23 HA SER 23 -8.098 1.123 -2.790 150 HB2 SER 23 HB2 SER 23 -7.877 -1.304 -3.678 151 HB3 SER 23 HB3 SER 23 -8.446 -1.788 -2.085 152 HG SER 23 HG SER 23 -10.186 -1.584 -3.523 153 H ARG 24 H ARG 24 -9.471 1.979 -1.310 154 HA ARG 24 HA ARG 24 -10.582 2.396 0.636 155 HB2 ARG 24 HB2 ARG 24 -10.173 -0.534 1.230 156 HB3 ARG 24 HB3 ARG 24 -11.450 0.508 1.836 157 HG2 ARG 24 HG2 ARG 24 -12.454 0.644 -0.328 158 HG3 ARG 24 HG3 ARG 24 -11.095 -0.210 -1.062 159 HD2 ARG 24 HD2 ARG 24 -11.631 -2.175 0.356 160 HD3 ARG 24 HD3 ARG 24 -13.058 -1.316 0.940 161 HE ARG 24 HE ARG 24 -12.812 -1.662 -1.945 162 HH11 ARG 24 HH11 ARG 24 -14.242 -2.740 1.057 163 HH12 ARG 24 HH12 ARG 24 -15.556 -3.569 0.289 164 HH21 ARG 24 HH21 ARG 24 -14.529 -2.769 -2.971 165 HH22 ARG 24 HH22 ARG 24 -15.718 -3.590 -2.008 166 H ARG 25 H ARG 25 -8.087 3.261 0.948 167 HA ARG 25 HA ARG 25 -6.273 3.548 2.238 168 HB2 ARG 25 HB2 ARG 25 -6.751 4.145 4.517 169 HB3 ARG 25 HB3 ARG 25 -8.028 4.736 3.468 170 HG2 ARG 25 HG2 ARG 25 -9.376 2.763 4.122 171 HG3 ARG 25 HG3 ARG 25 -8.116 2.367 5.297 172 HD2 ARG 25 HD2 ARG 25 -8.449 4.594 6.335 173 HD3 ARG 25 HD3 ARG 25 -9.794 4.871 5.226 174 HE ARG 25 HE ARG 25 -10.095 2.431 6.656 175 HH11 ARG 25 HH11 ARG 25 -10.484 5.899 6.974 176 HH12 ARG 25 HH12 ARG 25 -11.723 5.765 8.180 177 HH21 ARG 25 HH21 ARG 25 -11.718 2.265 8.233 178 HH22 ARG 25 HH22 ARG 25 -12.410 3.704 8.912 179 H LYS 26 H LYS 26 -6.356 0.964 1.413 180 HA LYS 26 HA LYS 26 -4.517 -0.101 3.322 181 HB2 LYS 26 HB2 LYS 26 -5.605 -2.327 3.464 182 HB3 LYS 26 HB3 LYS 26 -6.502 -1.046 4.254 183 HG2 LYS 26 HG2 LYS 26 -8.021 -0.916 2.356 184 HG3 LYS 26 HG3 LYS 26 -7.114 -2.190 1.543 185 HD2 LYS 26 HD2 LYS 26 -9.153 -3.046 2.593 186 HD3 LYS 26 HD3 LYS 26 -7.701 -3.759 3.309 187 HE2 LYS 26 HE2 LYS 26 -9.306 -3.179 5.035 188 HE3 LYS 26 HE3 LYS 26 -7.864 -2.181 5.181 189 HZ1 LYS 26 HZ1 LYS 26 -9.781 -0.835 5.430 190 HZ2 LYS 26 HZ2 LYS 26 -10.440 -1.366 4.046 191 HZ3 LYS 26 HZ3 LYS 26 -9.104 -0.443 4.001 192 H CYS 27 H CYS 27 -2.967 -1.219 2.384 193 HA CYS 27 HA CYS 27 -2.927 -1.618 -0.449 194 HB2 CYS 27 HB2 CYS 27 -1.032 -2.731 1.630 195 HB3 CYS 27 HB3 CYS 27 -0.717 -2.491 -0.076 196 H THR 28 H THR 28 -3.576 -3.406 -1.490 197 HA THR 28 HA THR 28 -4.509 -5.644 0.181 198 HB THR 28 HB THR 28 -6.240 -6.060 -1.477 199 HG1 THR 28 HG1 THR 28 -4.749 -5.049 -3.201 200 HG21 THR 28 HG21 THR 28 -7.530 -3.937 -1.331 201 HG22 THR 28 HG22 THR 28 -6.082 -3.143 -0.707 202 HG23 THR 28 HG23 THR 28 -6.842 -4.442 0.214 Start of MODEL 3 1 H1 ARG 1 H1 ARG 1 12.130 -1.927 -0.667 2 H2 ARG 1 H2 ARG 1 11.164 -1.467 -1.890 3 H3 ARG 1 H3 ARG 1 10.885 -2.871 -1.123 4 HA ARG 1 HA ARG 1 10.341 -1.748 0.901 5 HB2 ARG 1 HB2 ARG 1 11.792 0.210 0.511 6 HB3 ARG 1 HB3 ARG 1 10.732 0.718 -0.793 7 HG2 ARG 1 HG2 ARG 1 8.888 0.925 0.859 8 HG3 ARG 1 HG3 ARG 1 10.062 0.590 2.131 9 HD2 ARG 1 HD2 ARG 1 9.687 2.990 1.878 10 HD3 ARG 1 HD3 ARG 1 11.348 2.555 1.479 11 HE ARG 1 HE ARG 1 10.055 2.508 -0.924 12 HH11 ARG 1 HH11 ARG 1 10.394 4.902 1.606 13 HH12 ARG 1 HH12 ARG 1 10.321 6.250 0.517 14 HH21 ARG 1 HH21 ARG 1 9.954 4.280 -2.359 15 HH22 ARG 1 HH22 ARG 1 10.063 5.897 -1.737 16 H CYS 2 H CYS 2 8.247 -2.148 1.095 17 HA CYS 2 HA CYS 2 6.295 -0.757 -0.425 18 HB2 CYS 2 HB2 CYS 2 5.276 -2.538 -1.635 19 HB3 CYS 2 HB3 CYS 2 6.987 -2.573 -2.035 20 H LEU 3 H LEU 3 4.165 -1.162 0.300 21 HA LEU 3 HA LEU 3 4.026 -2.029 3.050 22 HB2 LEU 3 HB2 LEU 3 2.016 -0.806 1.165 23 HB3 LEU 3 HB3 LEU 3 1.671 -1.187 2.841 24 HG LEU 3 HG LEU 3 3.793 0.759 1.923 25 HD11 LEU 3 HD11 LEU 3 2.264 2.498 2.707 26 HD12 LEU 3 HD12 LEU 3 1.035 1.271 3.015 27 HD13 LEU 3 HD13 LEU 3 1.579 1.578 1.366 28 HD21 LEU 3 HD21 LEU 3 2.679 0.152 4.658 29 HD22 LEU 3 HD22 LEU 3 3.797 1.461 4.277 30 HD23 LEU 3 HD23 LEU 3 4.305 -0.216 4.080 31 H HIS 4 H HIS 4 2.933 -3.792 3.789 32 HA HIS 4 HA HIS 4 2.419 -5.875 1.852 33 HB2 HIS 4 HB2 HIS 4 2.423 -7.386 3.655 34 HB3 HIS 4 HB3 HIS 4 3.611 -6.180 4.112 35 HD1 HIS 4 HD1 HIS 4 1.211 -8.120 5.667 36 HD2 HIS 4 HD2 HIS 4 1.951 -4.039 5.710 37 HE1 HIS 4 HE1 HIS 4 0.156 -7.265 7.780 38 HE2 HIS 4 HE2 HIS 4 0.788 -4.829 7.880 39 H ALA 5 H ALA 5 0.428 -7.362 2.555 40 HA ALA 5 HA ALA 5 -1.905 -5.891 1.918 41 HB1 ALA 5 HB1 ALA 5 -1.665 -8.722 2.924 42 HB2 ALA 5 HB2 ALA 5 -1.590 -8.220 1.234 43 HB3 ALA 5 HB3 ALA 5 -3.079 -8.004 2.152 44 H GLY 6 H GLY 6 -3.112 -4.761 3.204 45 HA2 GLY 6 HA2 GLY 6 -4.527 -4.591 5.154 46 HA3 GLY 6 HA3 GLY 6 -3.317 -5.517 6.051 47 H ALA 7 H ALA 7 -2.070 -3.166 3.922 48 HA ALA 7 HA ALA 7 -1.440 -1.399 6.215 49 HB1 ALA 7 HB1 ALA 7 0.479 -2.229 4.947 50 HB2 ALA 7 HB2 ALA 7 0.317 -0.481 4.778 51 HB3 ALA 7 HB3 ALA 7 -0.197 -1.544 3.469 52 H ALA 8 H ALA 8 -1.387 0.987 5.629 53 HA ALA 8 HA ALA 8 -3.902 1.598 4.287 54 HB1 ALA 8 HB1 ALA 8 -3.453 2.566 6.501 55 HB2 ALA 8 HB2 ALA 8 -3.738 3.794 5.264 56 HB3 ALA 8 HB3 ALA 8 -2.093 3.453 5.817 57 H CYS 9 H CYS 9 -4.018 2.304 2.278 58 HA CYS 9 HA CYS 9 -1.889 3.997 1.214 59 HB2 CYS 9 HB2 CYS 9 -1.521 1.572 0.501 60 HB3 CYS 9 HB3 CYS 9 -3.003 1.748 -0.429 61 H SER 10 H SER 10 -2.538 5.034 -0.816 62 HA SER 10 HA SER 10 -3.927 6.401 -1.988 63 HB2 SER 10 HB2 SER 10 -5.227 4.194 -2.319 64 HB3 SER 10 HB3 SER 10 -6.300 4.793 -1.054 65 HG SER 10 HG SER 10 -5.745 6.580 -3.096 66 H GLY 11 H GLY 11 -3.563 6.282 1.093 67 HA2 GLY 11 HA2 GLY 11 -5.727 8.018 1.954 68 HA3 GLY 11 HA3 GLY 11 -4.410 7.417 2.953 69 HA PRO 12 HA PRO 12 -3.579 11.924 2.014 70 HB2 PRO 12 HB2 PRO 12 -2.631 12.426 4.547 71 HB3 PRO 12 HB3 PRO 12 -4.304 12.687 4.043 72 HG2 PRO 12 HG2 PRO 12 -3.110 10.417 5.565 73 HG3 PRO 12 HG3 PRO 12 -4.688 11.199 5.765 74 HD2 PRO 12 HD2 PRO 12 -4.373 8.815 4.524 75 HD3 PRO 12 HD3 PRO 12 -5.653 9.957 4.083 76 H ILE 13 H ILE 13 -1.421 13.016 2.353 77 HA ILE 13 HA ILE 13 0.366 12.174 0.741 78 HB ILE 13 HB ILE 13 0.806 14.163 1.990 79 HG12 ILE 13 HG12 ILE 13 3.081 12.164 2.003 80 HG13 ILE 13 HG13 ILE 13 2.675 13.333 0.754 81 HG21 ILE 13 HG21 ILE 13 0.196 13.415 4.207 82 HG22 ILE 13 HG22 ILE 13 1.810 14.126 4.224 83 HG23 ILE 13 HG23 ILE 13 1.616 12.373 4.270 84 HD11 ILE 13 HD11 ILE 13 3.691 13.987 3.507 85 HD12 ILE 13 HD12 ILE 13 3.275 15.158 2.256 86 HD13 ILE 13 HD13 ILE 13 4.618 14.042 2.009 87 H GLN 14 H GLN 14 0.794 10.162 0.247 88 HA GLN 14 HA GLN 14 2.427 8.591 2.074 89 HB2 GLN 14 HB2 GLN 14 0.235 7.729 2.574 90 HB3 GLN 14 HB3 GLN 14 -0.171 7.631 0.868 91 HG2 GLN 14 HG2 GLN 14 2.181 6.095 1.322 92 HG3 GLN 14 HG3 GLN 14 0.971 5.642 2.516 93 HE21 GLN 14 HE21 GLN 14 2.016 4.126 0.221 94 HE22 GLN 14 HE22 GLN 14 0.644 3.719 -0.765 95 H LYS 15 H LYS 15 4.061 9.184 0.492 96 HA LYS 15 HA LYS 15 3.788 7.632 -1.966 97 HB2 LYS 15 HB2 LYS 15 5.913 9.508 -0.936 98 HB3 LYS 15 HB3 LYS 15 6.145 8.527 -2.383 99 HG2 LYS 15 HG2 LYS 15 4.082 9.599 -3.318 100 HG3 LYS 15 HG3 LYS 15 4.098 10.682 -1.926 101 HD2 LYS 15 HD2 LYS 15 6.329 11.465 -2.563 102 HD3 LYS 15 HD3 LYS 15 6.307 10.384 -3.960 103 HE2 LYS 15 HE2 LYS 15 4.276 11.563 -4.765 104 HE3 LYS 15 HE3 LYS 15 4.454 12.701 -3.430 105 HZ1 LYS 15 HZ1 LYS 15 6.378 12.278 -5.600 106 HZ2 LYS 15 HZ2 LYS 15 6.620 13.269 -4.339 107 HZ3 LYS 15 HZ3 LYS 15 5.429 13.586 -5.396 108 H ILE 16 H ILE 16 3.882 5.605 -1.491 109 HA ILE 16 HA ILE 16 6.279 4.227 -0.966 110 HB ILE 16 HB ILE 16 4.140 3.941 1.174 111 HG12 ILE 16 HG12 ILE 16 6.956 4.997 1.329 112 HG13 ILE 16 HG13 ILE 16 5.471 5.841 1.739 113 HG21 ILE 16 HG21 ILE 16 6.724 2.432 0.784 114 HG22 ILE 16 HG22 ILE 16 5.102 1.807 0.492 115 HG23 ILE 16 HG23 ILE 16 5.604 2.225 2.131 116 HD11 ILE 16 HD11 ILE 16 5.136 4.356 3.635 117 HD12 ILE 16 HD12 ILE 16 6.696 5.175 3.729 118 HD13 ILE 16 HD13 ILE 16 6.612 3.487 3.221 119 HA PRO 17 HA PRO 17 3.077 2.148 -3.436 120 HB2 PRO 17 HB2 PRO 17 4.748 0.506 -4.831 121 HB3 PRO 17 HB3 PRO 17 4.468 2.192 -5.277 122 HG2 PRO 17 HG2 PRO 17 6.759 0.977 -3.794 123 HG3 PRO 17 HG3 PRO 17 6.770 2.251 -5.024 124 HD2 PRO 17 HD2 PRO 17 6.977 2.741 -2.347 125 HD3 PRO 17 HD3 PRO 17 6.273 3.897 -3.496 126 H CYS 18 H CYS 18 1.916 0.441 -2.720 127 HA CYS 18 HA CYS 18 3.098 -1.367 -0.804 128 HB2 CYS 18 HB2 CYS 18 0.355 -1.634 -2.000 129 HB3 CYS 18 HB3 CYS 18 0.933 -2.195 -0.440 130 H CYS 19 H CYS 19 3.313 -3.641 -1.049 131 HA CYS 19 HA CYS 19 3.247 -4.618 -3.796 132 HB2 CYS 19 HB2 CYS 19 3.837 -5.978 -1.147 133 HB3 CYS 19 HB3 CYS 19 3.804 -6.836 -2.682 134 H GLY 20 H GLY 20 1.107 -4.067 -4.128 135 HA2 GLY 20 HA2 GLY 20 -0.892 -5.928 -3.829 136 HA3 GLY 20 HA3 GLY 20 -1.033 -4.853 -2.438 137 H THR 21 H THR 21 -3.166 -4.727 -3.974 138 HA THR 21 HA THR 21 -2.825 -2.362 -5.660 139 HB THR 21 HB THR 21 -5.337 -3.846 -4.886 140 HG1 THR 21 HG1 THR 21 -3.626 -4.828 -6.365 141 HG21 THR 21 HG21 THR 21 -5.899 -1.587 -5.427 142 HG22 THR 21 HG22 THR 21 -6.331 -2.598 -6.806 143 HG23 THR 21 HG23 THR 21 -4.866 -1.621 -6.856 144 H CYS 22 H CYS 22 -2.963 -0.360 -4.804 145 HA CYS 22 HA CYS 22 -3.647 0.078 -2.092 146 HB2 CYS 22 HB2 CYS 22 -3.040 1.818 -4.453 147 HB3 CYS 22 HB3 CYS 22 -3.505 2.505 -2.915 148 H SER 23 H SER 23 -5.711 -0.361 -1.540 149 HA SER 23 HA SER 23 -7.869 0.961 -2.996 150 HB2 SER 23 HB2 SER 23 -7.488 -1.972 -2.479 151 HB3 SER 23 HB3 SER 23 -9.085 -1.301 -2.730 152 HG SER 23 HG SER 23 -7.570 -0.319 -4.635 153 H ARG 24 H ARG 24 -9.133 2.018 -1.604 154 HA ARG 24 HA ARG 24 -10.476 2.495 0.174 155 HB2 ARG 24 HB2 ARG 24 -10.066 -0.374 1.014 156 HB3 ARG 24 HB3 ARG 24 -11.363 0.695 1.520 157 HG2 ARG 24 HG2 ARG 24 -12.325 0.668 -0.666 158 HG3 ARG 24 HG3 ARG 24 -10.939 -0.215 -1.315 159 HD2 ARG 24 HD2 ARG 24 -11.476 -2.068 0.265 160 HD3 ARG 24 HD3 ARG 24 -12.946 -1.199 0.707 161 HE ARG 24 HE ARG 24 -13.188 -1.371 -1.957 162 HH11 ARG 24 HH11 ARG 24 -12.405 -3.763 0.471 163 HH12 ARG 24 HH12 ARG 24 -13.066 -5.087 -0.432 164 HH21 ARG 24 HH21 ARG 24 -14.075 -3.106 -3.148 165 HH22 ARG 24 HH22 ARG 24 -14.033 -4.711 -2.488 166 H ARG 25 H ARG 25 -7.731 3.108 0.472 167 HA ARG 25 HA ARG 25 -6.130 3.595 1.990 168 HB2 ARG 25 HB2 ARG 25 -8.586 3.518 3.625 169 HB3 ARG 25 HB3 ARG 25 -7.074 3.381 4.513 170 HG2 ARG 25 HG2 ARG 25 -6.283 5.448 3.562 171 HG3 ARG 25 HG3 ARG 25 -7.743 5.581 2.572 172 HD2 ARG 25 HD2 ARG 25 -9.079 5.630 4.671 173 HD3 ARG 25 HD3 ARG 25 -7.568 5.659 5.579 174 HE ARG 25 HE ARG 25 -7.918 7.748 3.591 175 HH11 ARG 25 HH11 ARG 25 -8.172 6.812 6.953 176 HH12 ARG 25 HH12 ARG 25 -8.153 8.445 7.538 177 HH21 ARG 25 HH21 ARG 25 -7.900 9.890 4.352 178 HH22 ARG 25 HH22 ARG 25 -8.000 10.198 6.057 179 H LYS 26 H LYS 26 -6.618 0.837 1.118 180 HA LYS 26 HA LYS 26 -4.957 -0.431 3.170 181 HB2 LYS 26 HB2 LYS 26 -7.131 -1.901 1.689 182 HB3 LYS 26 HB3 LYS 26 -6.124 -2.517 2.983 183 HG2 LYS 26 HG2 LYS 26 -7.197 -1.076 4.577 184 HG3 LYS 26 HG3 LYS 26 -8.132 -0.301 3.298 185 HD2 LYS 26 HD2 LYS 26 -9.259 -2.411 2.827 186 HD3 LYS 26 HD3 LYS 26 -8.303 -3.210 4.079 187 HE2 LYS 26 HE2 LYS 26 -10.278 -0.967 4.489 188 HE3 LYS 26 HE3 LYS 26 -10.521 -2.659 4.914 189 HZ1 LYS 26 HZ1 LYS 26 -9.876 -1.397 6.823 190 HZ2 LYS 26 HZ2 LYS 26 -8.528 -0.862 6.095 191 HZ3 LYS 26 HZ3 LYS 26 -8.677 -2.436 6.459 192 H CYS 27 H CYS 27 -3.220 -1.440 2.360 193 HA CYS 27 HA CYS 27 -2.911 -1.769 -0.492 194 HB2 CYS 27 HB2 CYS 27 -1.140 -2.833 1.715 195 HB3 CYS 27 HB3 CYS 27 -0.718 -2.580 0.033 196 H THR 28 H THR 28 -3.614 -3.525 -1.528 197 HA THR 28 HA THR 28 -4.615 -5.738 0.139 198 HB THR 28 HB THR 28 -6.379 -6.056 -1.597 199 HG1 THR 28 HG1 THR 28 -5.445 -3.546 -2.595 200 HG21 THR 28 HG21 THR 28 -6.224 -3.368 -0.238 201 HG22 THR 28 HG22 THR 28 -7.019 -4.828 0.350 202 HG23 THR 28 HG23 THR 28 -7.675 -3.963 -1.045 Start of MODEL 4 1 H1 ARG 1 H1 ARG 1 12.230 -1.445 0.135 2 H2 ARG 1 H2 ARG 1 11.296 -0.291 -0.525 3 H3 ARG 1 H3 ARG 1 11.077 -1.847 -0.941 4 HA ARG 1 HA ARG 1 10.364 -2.423 1.234 5 HB2 ARG 1 HB2 ARG 1 11.631 -0.850 2.518 6 HB3 ARG 1 HB3 ARG 1 10.845 0.515 1.739 7 HG2 ARG 1 HG2 ARG 1 8.801 0.088 2.866 8 HG3 ARG 1 HG3 ARG 1 9.367 -1.484 3.433 9 HD2 ARG 1 HD2 ARG 1 10.595 1.156 4.214 10 HD3 ARG 1 HD3 ARG 1 9.396 0.292 5.176 11 HE ARG 1 HE ARG 1 11.455 -1.495 4.682 12 HH11 ARG 1 HH11 ARG 1 11.046 1.566 6.330 13 HH12 ARG 1 HH12 ARG 1 12.299 1.255 7.487 14 HH21 ARG 1 HH21 ARG 1 13.097 -1.915 6.217 15 HH22 ARG 1 HH22 ARG 1 13.467 -0.724 7.420 16 H CYS 2 H CYS 2 8.349 -2.922 0.916 17 HA CYS 2 HA CYS 2 6.540 -0.892 -0.211 18 HB2 CYS 2 HB2 CYS 2 5.477 -2.550 -1.579 19 HB3 CYS 2 HB3 CYS 2 7.207 -2.660 -1.872 20 H LEU 3 H LEU 3 4.287 -1.241 0.311 21 HA LEU 3 HA LEU 3 3.944 -2.147 3.034 22 HB2 LEU 3 HB2 LEU 3 2.062 -0.841 1.074 23 HB3 LEU 3 HB3 LEU 3 1.670 -1.191 2.745 24 HG LEU 3 HG LEU 3 3.842 0.691 1.819 25 HD11 LEU 3 HD11 LEU 3 1.606 1.539 1.343 26 HD12 LEU 3 HD12 LEU 3 2.386 2.464 2.626 27 HD13 LEU 3 HD13 LEU 3 1.144 1.275 3.024 28 HD21 LEU 3 HD21 LEU 3 2.798 0.070 4.577 29 HD22 LEU 3 HD22 LEU 3 3.929 1.365 4.181 30 HD23 LEU 3 HD23 LEU 3 4.399 -0.319 3.945 31 H HIS 4 H HIS 4 2.734 -3.895 3.671 32 HA HIS 4 HA HIS 4 2.151 -5.814 1.557 33 HB2 HIS 4 HB2 HIS 4 2.254 -7.507 3.172 34 HB3 HIS 4 HB3 HIS 4 3.490 -6.373 3.681 35 HD1 HIS 4 HD1 HIS 4 1.341 -8.507 5.231 36 HD2 HIS 4 HD2 HIS 4 1.831 -4.398 5.587 37 HE1 HIS 4 HE1 HIS 4 0.416 -7.910 7.490 38 HE2 HIS 4 HE2 HIS 4 0.858 -5.443 7.745 39 H ALA 5 H ALA 5 0.186 -7.334 2.262 40 HA ALA 5 HA ALA 5 -2.154 -5.906 1.791 41 HB1 ALA 5 HB1 ALA 5 -1.885 -8.646 3.025 42 HB2 ALA 5 HB2 ALA 5 -1.897 -8.296 1.298 43 HB3 ALA 5 HB3 ALA 5 -3.333 -7.979 2.269 44 H GLY 6 H GLY 6 -3.249 -4.636 3.030 45 HA2 GLY 6 HA2 GLY 6 -4.654 -4.290 4.935 46 HA3 GLY 6 HA3 GLY 6 -3.572 -5.321 5.875 47 H ALA 7 H ALA 7 -2.127 -2.987 3.788 48 HA ALA 7 HA ALA 7 -1.411 -1.385 6.164 49 HB1 ALA 7 HB1 ALA 7 0.454 -2.245 4.833 50 HB2 ALA 7 HB2 ALA 7 0.401 -0.482 4.798 51 HB3 ALA 7 HB3 ALA 7 -0.174 -1.410 3.413 52 H ALA 8 H ALA 8 -2.176 0.673 6.408 53 HA ALA 8 HA ALA 8 -4.304 1.502 4.739 54 HB1 ALA 8 HB1 ALA 8 -4.214 2.082 7.111 55 HB2 ALA 8 HB2 ALA 8 -4.398 3.508 6.086 56 HB3 ALA 8 HB3 ALA 8 -2.828 3.128 6.799 57 H CYS 9 H CYS 9 -4.213 2.421 2.849 58 HA CYS 9 HA CYS 9 -2.238 4.509 2.341 59 HB2 CYS 9 HB2 CYS 9 -1.439 3.591 0.295 60 HB3 CYS 9 HB3 CYS 9 -1.317 2.306 1.490 61 H SER 10 H SER 10 -2.793 5.033 -0.307 62 HA SER 10 HA SER 10 -4.279 6.021 -1.723 63 HB2 SER 10 HB2 SER 10 -6.494 4.631 -0.203 64 HB3 SER 10 HB3 SER 10 -6.545 5.241 -1.856 65 HG SER 10 HG SER 10 -4.589 3.355 -1.201 66 H GLY 11 H GLY 11 -3.700 6.843 1.174 67 HA2 GLY 11 HA2 GLY 11 -5.882 8.764 1.595 68 HA3 GLY 11 HA3 GLY 11 -4.663 8.315 2.781 69 HA PRO 12 HA PRO 12 -3.559 12.623 1.185 70 HB2 PRO 12 HB2 PRO 12 -2.364 12.355 3.910 71 HB3 PRO 12 HB3 PRO 12 -3.118 13.761 3.148 72 HG2 PRO 12 HG2 PRO 12 -4.420 12.301 4.972 73 HG3 PRO 12 HG3 PRO 12 -5.258 13.019 3.585 74 HD2 PRO 12 HD2 PRO 12 -4.560 10.188 4.108 75 HD3 PRO 12 HD3 PRO 12 -5.869 10.873 3.131 76 H ILE 13 H ILE 13 -1.447 13.403 0.796 77 HA ILE 13 HA ILE 13 0.098 12.057 -0.756 78 HB ILE 13 HB ILE 13 0.684 14.307 -0.269 79 HG12 ILE 13 HG12 ILE 13 3.034 12.487 0.312 80 HG13 ILE 13 HG13 ILE 13 2.424 12.903 -1.285 81 HG21 ILE 13 HG21 ILE 13 1.876 14.981 1.746 82 HG22 ILE 13 HG22 ILE 13 1.761 13.336 2.366 83 HG23 ILE 13 HG23 ILE 13 0.300 14.291 2.132 84 HD11 ILE 13 HD11 ILE 13 3.615 14.824 0.698 85 HD12 ILE 13 HD12 ILE 13 3.016 15.235 -0.908 86 HD13 ILE 13 HD13 ILE 13 4.415 14.176 -0.733 87 H GLN 14 H GLN 14 0.495 9.992 -0.691 88 HA GLN 14 HA GLN 14 2.223 8.945 1.440 89 HB2 GLN 14 HB2 GLN 14 0.082 8.027 1.936 90 HB3 GLN 14 HB3 GLN 14 -0.249 7.698 0.242 91 HG2 GLN 14 HG2 GLN 14 2.121 6.305 1.056 92 HG3 GLN 14 HG3 GLN 14 0.806 5.951 2.169 93 HE21 GLN 14 HE21 GLN 14 2.136 4.251 0.175 94 HE22 GLN 14 HE22 GLN 14 0.897 3.669 -0.882 95 H LYS 15 H LYS 15 4.053 9.208 0.080 96 HA LYS 15 HA LYS 15 4.003 7.514 -2.302 97 HB2 LYS 15 HB2 LYS 15 6.231 9.201 -1.135 98 HB3 LYS 15 HB3 LYS 15 6.294 8.350 -2.674 99 HG2 LYS 15 HG2 LYS 15 4.587 9.761 -3.589 100 HG3 LYS 15 HG3 LYS 15 4.319 10.525 -2.020 101 HD2 LYS 15 HD2 LYS 15 6.638 11.372 -2.075 102 HD3 LYS 15 HD3 LYS 15 6.835 10.664 -3.678 103 HE2 LYS 15 HE2 LYS 15 5.104 12.095 -4.565 104 HE3 LYS 15 HE3 LYS 15 4.772 12.740 -2.958 105 HZ1 LYS 15 HZ1 LYS 15 7.307 13.050 -4.400 106 HZ2 LYS 15 HZ2 LYS 15 6.962 13.678 -2.942 107 HZ3 LYS 15 HZ3 LYS 15 6.167 14.203 -4.258 108 H ILE 16 H ILE 16 3.954 5.515 -1.680 109 HA ILE 16 HA ILE 16 6.272 4.149 -0.781 110 HB ILE 16 HB ILE 16 3.846 3.809 1.000 111 HG12 ILE 16 HG12 ILE 16 6.427 5.238 1.643 112 HG13 ILE 16 HG13 ILE 16 4.813 5.933 1.633 113 HG21 ILE 16 HG21 ILE 16 5.336 2.378 2.313 114 HG22 ILE 16 HG22 ILE 16 6.643 2.696 1.173 115 HG23 ILE 16 HG23 ILE 16 5.207 1.822 0.644 116 HD11 ILE 16 HD11 ILE 16 5.592 5.524 3.893 117 HD12 ILE 16 HD12 ILE 16 5.797 3.813 3.517 118 HD13 ILE 16 HD13 ILE 16 4.186 4.530 3.512 119 HA PRO 17 HA PRO 17 3.373 2.035 -3.556 120 HB2 PRO 17 HB2 PRO 17 5.199 0.399 -4.760 121 HB3 PRO 17 HB3 PRO 17 4.935 2.075 -5.254 122 HG2 PRO 17 HG2 PRO 17 7.102 0.914 -3.563 123 HG3 PRO 17 HG3 PRO 17 7.193 2.205 -4.772 124 HD2 PRO 17 HD2 PRO 17 7.130 2.641 -2.069 125 HD3 PRO 17 HD3 PRO 17 6.556 3.816 -3.270 126 H CYS 18 H CYS 18 2.136 0.431 -2.788 127 HA CYS 18 HA CYS 18 3.218 -1.404 -0.843 128 HB2 CYS 18 HB2 CYS 18 0.498 -1.678 -2.070 129 HB3 CYS 18 HB3 CYS 18 1.038 -2.098 -0.453 130 H CYS 19 H CYS 19 3.413 -3.666 -1.121 131 HA CYS 19 HA CYS 19 3.327 -4.588 -3.886 132 HB2 CYS 19 HB2 CYS 19 3.883 -6.034 -1.274 133 HB3 CYS 19 HB3 CYS 19 3.891 -6.823 -2.847 134 H GLY 20 H GLY 20 1.195 -3.975 -4.187 135 HA2 GLY 20 HA2 GLY 20 -0.831 -5.812 -3.929 136 HA3 GLY 20 HA3 GLY 20 -0.944 -4.778 -2.506 137 H THR 21 H THR 21 -3.090 -4.600 -4.015 138 HA THR 21 HA THR 21 -2.749 -2.174 -5.631 139 HB THR 21 HB THR 21 -5.311 -3.666 -5.037 140 HG1 THR 21 HG1 THR 21 -3.620 -4.935 -6.145 141 HG21 THR 21 HG21 THR 21 -6.126 -2.555 -7.054 142 HG22 THR 21 HG22 THR 21 -4.569 -1.754 -7.251 143 HG23 THR 21 HG23 THR 21 -5.585 -1.374 -5.862 144 H CYS 22 H CYS 22 -3.236 -0.161 -4.790 145 HA CYS 22 HA CYS 22 -3.851 0.036 -2.008 146 HB2 CYS 22 HB2 CYS 22 -2.975 1.808 -4.151 147 HB3 CYS 22 HB3 CYS 22 -4.121 2.581 -3.057 148 H SER 23 H SER 23 -5.830 -0.501 -1.371 149 HA SER 23 HA SER 23 -8.128 0.560 -2.879 150 HB2 SER 23 HB2 SER 23 -7.735 -1.914 -3.196 151 HB3 SER 23 HB3 SER 23 -8.005 -2.115 -1.469 152 HG SER 23 HG SER 23 -9.806 -1.759 -3.488 153 H ARG 24 H ARG 24 -9.134 2.001 -1.669 154 HA ARG 24 HA ARG 24 -9.987 3.140 0.110 155 HB2 ARG 24 HB2 ARG 24 -11.702 1.868 1.320 156 HB3 ARG 24 HB3 ARG 24 -11.742 1.549 -0.406 157 HG2 ARG 24 HG2 ARG 24 -10.575 -0.568 -0.041 158 HG3 ARG 24 HG3 ARG 24 -10.534 -0.240 1.689 159 HD2 ARG 24 HD2 ARG 24 -12.329 -1.728 1.305 160 HD3 ARG 24 HD3 ARG 24 -13.029 -0.148 1.638 161 HE ARG 24 HE ARG 24 -13.222 0.044 -0.877 162 HH11 ARG 24 HH11 ARG 24 -13.313 -3.032 0.795 163 HH12 ARG 24 HH12 ARG 24 -14.238 -3.824 -0.437 164 HH21 ARG 24 HH21 ARG 24 -14.465 -0.997 -2.504 165 HH22 ARG 24 HH22 ARG 24 -14.898 -2.666 -2.308 166 H ARG 25 H ARG 25 -7.502 3.061 0.824 167 HA ARG 25 HA ARG 25 -6.133 3.333 2.580 168 HB2 ARG 25 HB2 ARG 25 -8.727 3.043 4.010 169 HB3 ARG 25 HB3 ARG 25 -7.239 2.964 4.946 170 HG2 ARG 25 HG2 ARG 25 -6.568 5.141 4.027 171 HG3 ARG 25 HG3 ARG 25 -8.104 5.227 3.159 172 HD2 ARG 25 HD2 ARG 25 -7.789 5.032 6.152 173 HD3 ARG 25 HD3 ARG 25 -8.126 6.511 5.258 174 HE ARG 25 HE ARG 25 -10.034 4.400 4.804 175 HH11 ARG 25 HH11 ARG 25 -9.163 7.138 6.785 176 HH12 ARG 25 HH12 ARG 25 -10.776 7.412 7.355 177 HH21 ARG 25 HH21 ARG 25 -12.172 4.742 5.555 178 HH22 ARG 25 HH22 ARG 25 -12.491 6.044 6.655 179 H LYS 26 H LYS 26 -6.697 0.591 1.386 180 HA LYS 26 HA LYS 26 -4.823 -0.614 3.279 181 HB2 LYS 26 HB2 LYS 26 -6.811 -2.415 1.964 182 HB3 LYS 26 HB3 LYS 26 -5.808 -2.702 3.368 183 HG2 LYS 26 HG2 LYS 26 -7.668 -2.395 4.547 184 HG3 LYS 26 HG3 LYS 26 -7.433 -0.675 4.223 185 HD2 LYS 26 HD2 LYS 26 -9.699 -1.282 3.644 186 HD3 LYS 26 HD3 LYS 26 -8.796 -0.917 2.174 187 HE2 LYS 26 HE2 LYS 26 -10.200 -2.897 1.894 188 HE3 LYS 26 HE3 LYS 26 -8.491 -3.295 1.746 189 HZ1 LYS 26 HZ1 LYS 26 -9.648 -4.891 3.090 190 HZ2 LYS 26 HZ2 LYS 26 -10.143 -3.743 4.128 191 HZ3 LYS 26 HZ3 LYS 26 -8.561 -4.098 4.006 192 H CYS 27 H CYS 27 -3.071 -1.303 2.270 193 HA CYS 27 HA CYS 27 -2.934 -1.664 -0.564 194 HB2 CYS 27 HB2 CYS 27 -1.030 -2.632 1.584 195 HB3 CYS 27 HB3 CYS 27 -0.679 -2.439 -0.119 196 H THR 28 H THR 28 -3.393 -3.521 -1.645 197 HA THR 28 HA THR 28 -4.104 -5.853 0.008 198 HB THR 28 HB THR 28 -5.798 -6.395 -1.776 199 HG1 THR 28 HG1 THR 28 -5.269 -3.705 -2.592 200 HG21 THR 28 HG21 THR 28 -6.131 -3.777 -0.310 201 HG22 THR 28 HG22 THR 28 -6.519 -5.382 0.309 202 HG23 THR 28 HG23 THR 28 -7.443 -4.707 -1.033 Start of MODEL 5 1 H1 ARG 1 H1 ARG 1 10.934 0.504 0.040 2 H2 ARG 1 H2 ARG 1 11.163 -0.648 -1.085 3 H3 ARG 1 H3 ARG 1 12.134 -0.586 0.218 4 HA ARG 1 HA ARG 1 10.555 -2.368 0.410 5 HB2 ARG 1 HB2 ARG 1 9.823 -1.889 2.644 6 HB3 ARG 1 HB3 ARG 1 11.401 -1.148 2.430 7 HG2 ARG 1 HG2 ARG 1 10.267 1.025 2.028 8 HG3 ARG 1 HG3 ARG 1 8.732 0.242 2.401 9 HD2 ARG 1 HD2 ARG 1 11.100 0.534 4.245 10 HD3 ARG 1 HD3 ARG 1 9.570 1.399 4.358 11 HE ARG 1 HE ARG 1 8.801 -1.185 4.497 12 HH11 ARG 1 HH11 ARG 1 11.174 0.707 6.247 13 HH12 ARG 1 HH12 ARG 1 11.081 -0.261 7.682 14 HH21 ARG 1 HH21 ARG 1 8.675 -2.465 6.395 15 HH22 ARG 1 HH22 ARG 1 9.662 -2.065 7.762 16 H CYS 2 H CYS 2 8.326 -2.988 0.638 17 HA CYS 2 HA CYS 2 6.429 -0.987 -0.378 18 HB2 CYS 2 HB2 CYS 2 5.365 -2.703 -1.764 19 HB3 CYS 2 HB3 CYS 2 7.052 -2.497 -2.214 20 H LEU 3 H LEU 3 4.287 -1.243 0.283 21 HA LEU 3 HA LEU 3 4.046 -2.254 2.956 22 HB2 LEU 3 HB2 LEU 3 2.081 -0.895 1.117 23 HB3 LEU 3 HB3 LEU 3 1.749 -1.289 2.793 24 HG LEU 3 HG LEU 3 3.918 0.594 1.850 25 HD11 LEU 3 HD11 LEU 3 1.230 1.168 3.084 26 HD12 LEU 3 HD12 LEU 3 1.707 1.499 1.419 27 HD13 LEU 3 HD13 LEU 3 2.486 2.362 2.747 28 HD21 LEU 3 HD21 LEU 3 2.898 -0.030 4.617 29 HD22 LEU 3 HD22 LEU 3 4.072 1.221 4.210 30 HD23 LEU 3 HD23 LEU 3 4.472 -0.478 3.962 31 H HIS 4 H HIS 4 2.961 -4.022 3.638 32 HA HIS 4 HA HIS 4 2.228 -5.949 1.606 33 HB2 HIS 4 HB2 HIS 4 2.304 -7.594 3.279 34 HB3 HIS 4 HB3 HIS 4 3.577 -6.474 3.730 35 HD1 HIS 4 HD1 HIS 4 1.293 -8.465 5.336 36 HD2 HIS 4 HD2 HIS 4 2.090 -4.400 5.610 37 HE1 HIS 4 HE1 HIS 4 0.415 -7.753 7.579 38 HE2 HIS 4 HE2 HIS 4 0.759 -5.259 7.648 39 H ALA 5 H ALA 5 0.219 -7.406 2.418 40 HA ALA 5 HA ALA 5 -2.060 -5.866 1.892 41 HB1 ALA 5 HB1 ALA 5 -3.332 -7.885 2.331 42 HB2 ALA 5 HB2 ALA 5 -1.921 -8.629 3.082 43 HB3 ALA 5 HB3 ALA 5 -1.906 -8.248 1.361 44 H GLY 6 H GLY 6 -3.164 -4.604 3.134 45 HA2 GLY 6 HA2 GLY 6 -4.620 -4.354 5.043 46 HA3 GLY 6 HA3 GLY 6 -3.460 -5.283 5.992 47 H ALA 7 H ALA 7 -2.091 -2.960 3.873 48 HA ALA 7 HA ALA 7 -1.446 -1.302 6.233 49 HB1 ALA 7 HB1 ALA 7 -0.135 -1.392 3.518 50 HB2 ALA 7 HB2 ALA 7 0.457 -2.183 4.980 51 HB3 ALA 7 HB3 ALA 7 0.400 -0.422 4.891 52 H ALA 8 H ALA 8 -2.142 0.807 6.389 53 HA ALA 8 HA ALA 8 -4.262 1.601 4.687 54 HB1 ALA 8 HB1 ALA 8 -4.347 3.643 5.944 55 HB2 ALA 8 HB2 ALA 8 -2.747 3.332 6.625 56 HB3 ALA 8 HB3 ALA 8 -4.103 2.285 7.046 57 H CYS 9 H CYS 9 -4.156 2.421 2.745 58 HA CYS 9 HA CYS 9 -2.092 4.379 2.096 59 HB2 CYS 9 HB2 CYS 9 -1.248 3.255 0.207 60 HB3 CYS 9 HB3 CYS 9 -1.312 2.023 1.463 61 H SER 10 H SER 10 -2.487 4.943 -0.429 62 HA SER 10 HA SER 10 -3.843 5.765 -2.058 63 HB2 SER 10 HB2 SER 10 -5.100 3.612 -1.875 64 HB3 SER 10 HB3 SER 10 -6.123 4.360 -0.651 65 HG SER 10 HG SER 10 -5.845 5.200 -3.353 66 H GLY 11 H GLY 11 -3.841 6.545 1.051 67 HA2 GLY 11 HA2 GLY 11 -5.997 8.467 1.069 68 HA3 GLY 11 HA3 GLY 11 -4.841 8.180 2.365 69 HA PRO 12 HA PRO 12 -3.793 12.262 0.338 70 HB2 PRO 12 HB2 PRO 12 -3.016 13.353 2.758 71 HB3 PRO 12 HB3 PRO 12 -4.610 13.554 2.025 72 HG2 PRO 12 HG2 PRO 12 -3.734 11.698 4.181 73 HG3 PRO 12 HG3 PRO 12 -5.272 12.558 3.992 74 HD2 PRO 12 HD2 PRO 12 -4.995 9.936 3.438 75 HD3 PRO 12 HD3 PRO 12 -6.121 10.973 2.546 76 H ILE 13 H ILE 13 -1.669 13.353 0.471 77 HA ILE 13 HA ILE 13 0.149 12.051 -0.753 78 HB ILE 13 HB ILE 13 0.582 14.318 -0.185 79 HG12 ILE 13 HG12 ILE 13 2.864 12.532 0.706 80 HG13 ILE 13 HG13 ILE 13 2.489 12.996 -0.951 81 HG21 ILE 13 HG21 ILE 13 -0.147 14.317 2.121 82 HG22 ILE 13 HG22 ILE 13 1.473 15.001 1.987 83 HG23 ILE 13 HG23 ILE 13 1.257 13.355 2.583 84 HD11 ILE 13 HD11 ILE 13 4.354 14.273 -0.062 85 HD12 ILE 13 HD12 ILE 13 3.331 14.876 1.243 86 HD13 ILE 13 HD13 ILE 13 2.982 15.317 -0.429 87 H GLN 14 H GLN 14 0.408 9.949 -0.545 88 HA GLN 14 HA GLN 14 2.094 9.021 1.671 89 HB2 GLN 14 HB2 GLN 14 0.006 8.033 2.194 90 HB3 GLN 14 HB3 GLN 14 -0.362 7.715 0.507 91 HG2 GLN 14 HG2 GLN 14 2.034 6.323 1.284 92 HG3 GLN 14 HG3 GLN 14 0.714 5.943 2.386 93 HE21 GLN 14 HE21 GLN 14 2.045 4.268 0.353 94 HE22 GLN 14 HE22 GLN 14 0.800 3.717 -0.723 95 H LYS 15 H LYS 15 3.949 9.249 0.367 96 HA LYS 15 HA LYS 15 3.966 7.587 -2.035 97 HB2 LYS 15 HB2 LYS 15 6.130 9.308 -0.800 98 HB3 LYS 15 HB3 LYS 15 6.273 8.451 -2.327 99 HG2 LYS 15 HG2 LYS 15 4.295 10.642 -1.739 100 HG3 LYS 15 HG3 LYS 15 5.810 10.841 -2.617 101 HD2 LYS 15 HD2 LYS 15 5.011 9.241 -4.312 102 HD3 LYS 15 HD3 LYS 15 3.481 9.110 -3.441 103 HE2 LYS 15 HE2 LYS 15 3.153 11.546 -3.749 104 HE3 LYS 15 HE3 LYS 15 4.623 11.590 -4.719 105 HZ1 LYS 15 HZ1 LYS 15 2.215 10.040 -5.363 106 HZ2 LYS 15 HZ2 LYS 15 3.571 10.086 -6.257 107 HZ3 LYS 15 HZ3 LYS 15 2.668 11.425 -6.087 108 H ILE 16 H ILE 16 3.899 5.575 -1.374 109 HA ILE 16 HA ILE 16 6.297 4.230 -0.721 110 HB ILE 16 HB ILE 16 4.036 3.857 1.274 111 HG12 ILE 16 HG12 ILE 16 6.764 5.089 1.643 112 HG13 ILE 16 HG13 ILE 16 5.204 5.837 1.943 113 HG21 ILE 16 HG21 ILE 16 5.197 1.796 0.644 114 HG22 ILE 16 HG22 ILE 16 5.525 2.226 2.323 115 HG23 ILE 16 HG23 ILE 16 6.741 2.528 1.082 116 HD11 ILE 16 HD11 ILE 16 6.394 3.555 3.496 117 HD12 ILE 16 HD12 ILE 16 4.820 4.296 3.793 118 HD13 ILE 16 HD13 ILE 16 6.296 5.237 4.018 119 HA PRO 17 HA PRO 17 3.273 2.145 -3.391 120 HB2 PRO 17 HB2 PRO 17 5.058 0.526 -4.685 121 HB3 PRO 17 HB3 PRO 17 4.745 2.200 -5.153 122 HG2 PRO 17 HG2 PRO 17 7.007 1.064 -3.573 123 HG3 PRO 17 HG3 PRO 17 7.022 2.358 -4.783 124 HD2 PRO 17 HD2 PRO 17 7.091 2.805 -2.089 125 HD3 PRO 17 HD3 PRO 17 6.409 3.956 -3.254 126 H CYS 18 H CYS 18 2.077 0.503 -2.664 127 HA CYS 18 HA CYS 18 3.187 -1.423 -0.820 128 HB2 CYS 18 HB2 CYS 18 0.438 -1.599 -1.992 129 HB3 CYS 18 HB3 CYS 18 1.011 -2.112 -0.413 130 H CYS 19 H CYS 19 3.364 -3.666 -1.184 131 HA CYS 19 HA CYS 19 3.337 -4.455 -3.975 132 HB2 CYS 19 HB2 CYS 19 3.547 -6.701 -2.319 133 HB3 CYS 19 HB3 CYS 19 4.866 -5.895 -3.150 134 H GLY 20 H GLY 20 1.168 -3.900 -4.278 135 HA2 GLY 20 HA2 GLY 20 -0.777 -5.845 -4.124 136 HA3 GLY 20 HA3 GLY 20 -0.948 -4.880 -2.659 137 H THR 21 H THR 21 -3.072 -4.770 -4.172 138 HA THR 21 HA THR 21 -2.945 -2.335 -5.757 139 HB THR 21 HB THR 21 -5.378 -3.890 -4.857 140 HG1 THR 21 HG1 THR 21 -5.182 -4.611 -7.188 141 HG21 THR 21 HG21 THR 21 -5.845 -1.602 -5.594 142 HG22 THR 21 HG22 THR 21 -6.483 -2.784 -6.737 143 HG23 THR 21 HG23 THR 21 -4.993 -1.915 -7.105 144 H CYS 22 H CYS 22 -3.516 -0.321 -4.978 145 HA CYS 22 HA CYS 22 -3.908 -0.095 -2.113 146 HB2 CYS 22 HB2 CYS 22 -2.867 1.580 -4.247 147 HB3 CYS 22 HB3 CYS 22 -3.971 2.458 -3.205 148 H SER 23 H SER 23 -5.944 -0.380 -1.426 149 HA SER 23 HA SER 23 -8.084 1.065 -2.834 150 HB2 SER 23 HB2 SER 23 -7.919 -1.462 -3.400 151 HB3 SER 23 HB3 SER 23 -8.515 -1.714 -1.763 152 HG SER 23 HG SER 23 -9.803 -0.174 -3.773 153 H ARG 24 H ARG 24 -9.401 2.144 -1.533 154 HA ARG 24 HA ARG 24 -10.225 3.123 0.347 155 HB2 ARG 24 HB2 ARG 24 -11.604 1.573 1.710 156 HB3 ARG 24 HB3 ARG 24 -11.853 1.414 -0.021 157 HG2 ARG 24 HG2 ARG 24 -10.542 -0.604 -0.073 158 HG3 ARG 24 HG3 ARG 24 -10.122 -0.413 1.630 159 HD2 ARG 24 HD2 ARG 24 -11.896 -2.061 1.317 160 HD3 ARG 24 HD3 ARG 24 -12.455 -0.675 2.251 161 HE ARG 24 HE ARG 24 -13.081 -0.163 -0.401 162 HH11 ARG 24 HH11 ARG 24 -13.900 -2.532 2.031 163 HH12 ARG 24 HH12 ARG 24 -15.486 -2.823 1.396 164 HH21 ARG 24 HH21 ARG 24 -15.167 -0.528 -1.239 165 HH22 ARG 24 HH22 ARG 24 -16.213 -1.678 -0.469 166 H ARG 25 H ARG 25 -7.645 3.279 0.848 167 HA ARG 25 HA ARG 25 -6.056 3.439 2.403 168 HB2 ARG 25 HB2 ARG 25 -8.510 3.337 4.091 169 HB3 ARG 25 HB3 ARG 25 -6.923 3.359 4.852 170 HG2 ARG 25 HG2 ARG 25 -7.500 5.599 4.759 171 HG3 ARG 25 HG3 ARG 25 -6.458 5.373 3.354 172 HD2 ARG 25 HD2 ARG 25 -8.392 5.220 1.901 173 HD3 ARG 25 HD3 ARG 25 -9.469 5.378 3.290 174 HE ARG 25 HE ARG 25 -8.143 7.617 3.551 175 HH11 ARG 25 HH11 ARG 25 -9.289 6.164 0.570 176 HH12 ARG 25 HH12 ARG 25 -9.455 7.686 -0.249 177 HH21 ARG 25 HH21 ARG 25 -8.383 9.617 2.473 178 HH22 ARG 25 HH22 ARG 25 -8.938 9.643 0.829 179 H LYS 26 H LYS 26 -6.632 0.744 1.370 180 HA LYS 26 HA LYS 26 -4.787 -0.468 3.281 181 HB2 LYS 26 HB2 LYS 26 -7.118 -1.967 2.099 182 HB3 LYS 26 HB3 LYS 26 -5.773 -2.708 2.927 183 HG2 LYS 26 HG2 LYS 26 -7.332 -2.675 4.589 184 HG3 LYS 26 HG3 LYS 26 -6.488 -1.157 4.894 185 HD2 LYS 26 HD2 LYS 26 -8.228 0.043 3.644 186 HD3 LYS 26 HD3 LYS 26 -9.075 -1.482 3.379 187 HE2 LYS 26 HE2 LYS 26 -10.015 -0.163 5.242 188 HE3 LYS 26 HE3 LYS 26 -9.431 -1.748 5.741 189 HZ1 LYS 26 HZ1 LYS 26 -8.772 -0.001 7.257 190 HZ2 LYS 26 HZ2 LYS 26 -7.953 0.759 6.078 191 HZ3 LYS 26 HZ3 LYS 26 -7.465 -0.705 6.587 192 H CYS 27 H CYS 27 -3.105 -1.348 2.342 193 HA CYS 27 HA CYS 27 -2.927 -1.704 -0.510 194 HB2 CYS 27 HB2 CYS 27 -1.037 -2.718 1.623 195 HB3 CYS 27 HB3 CYS 27 -0.688 -2.443 -0.068 196 H THR 28 H THR 28 -3.444 -3.577 -1.541 197 HA THR 28 HA THR 28 -4.262 -5.819 0.186 198 HB THR 28 HB THR 28 -5.870 -6.453 -1.522 199 HG1 THR 28 HG1 THR 28 -4.428 -5.486 -3.243 200 HG21 THR 28 HG21 THR 28 -6.022 -3.489 -0.946 201 HG22 THR 28 HG22 THR 28 -6.610 -4.780 0.104 202 HG23 THR 28 HG23 THR 28 -7.368 -4.504 -1.466 Start of MODEL 6 1 H1 ARG 1 H1 ARG 1 12.199 -0.735 0.235 2 H2 ARG 1 H2 ARG 1 11.072 0.412 0.004 3 H3 ARG 1 H3 ARG 1 11.143 -0.865 -0.994 4 HA ARG 1 HA ARG 1 10.509 -2.362 0.705 5 HB2 ARG 1 HB2 ARG 1 11.547 -1.234 2.580 6 HB3 ARG 1 HB3 ARG 1 10.479 0.148 2.389 7 HG2 ARG 1 HG2 ARG 1 8.591 -1.119 3.097 8 HG3 ARG 1 HG3 ARG 1 9.518 -2.619 3.065 9 HD2 ARG 1 HD2 ARG 1 10.056 -0.272 4.880 10 HD3 ARG 1 HD3 ARG 1 9.216 -1.751 5.348 11 HE ARG 1 HE ARG 1 11.729 -2.400 4.254 12 HH11 ARG 1 HH11 ARG 1 10.334 -0.952 7.117 13 HH12 ARG 1 HH12 ARG 1 11.629 -1.458 8.152 14 HH21 ARG 1 HH21 ARG 1 13.420 -3.074 5.603 15 HH22 ARG 1 HH22 ARG 1 13.396 -2.659 7.288 16 H CYS 2 H CYS 2 8.390 -2.946 0.617 17 HA CYS 2 HA CYS 2 6.509 -0.849 -0.242 18 HB2 CYS 2 HB2 CYS 2 5.336 -2.498 -1.548 19 HB3 CYS 2 HB3 CYS 2 7.039 -2.560 -1.978 20 H LEU 3 H LEU 3 4.250 -1.264 0.311 21 HA LEU 3 HA LEU 3 3.984 -2.140 3.055 22 HB2 LEU 3 HB2 LEU 3 2.046 -0.882 1.110 23 HB3 LEU 3 HB3 LEU 3 1.672 -1.237 2.784 24 HG LEU 3 HG LEU 3 3.814 0.687 1.860 25 HD11 LEU 3 HD11 LEU 3 2.306 2.445 2.614 26 HD12 LEU 3 HD12 LEU 3 1.077 1.239 2.994 27 HD13 LEU 3 HD13 LEU 3 1.575 1.493 1.321 28 HD21 LEU 3 HD21 LEU 3 3.852 1.399 4.201 29 HD22 LEU 3 HD22 LEU 3 4.318 -0.292 4.024 30 HD23 LEU 3 HD23 LEU 3 2.705 0.121 4.605 31 H HIS 4 H HIS 4 2.807 -3.920 3.713 32 HA HIS 4 HA HIS 4 2.277 -5.858 1.601 33 HB2 HIS 4 HB2 HIS 4 2.463 -7.546 3.193 34 HB3 HIS 4 HB3 HIS 4 3.607 -6.351 3.775 35 HD1 HIS 4 HD1 HIS 4 1.512 -8.640 5.173 36 HD2 HIS 4 HD2 HIS 4 1.766 -4.529 5.656 37 HE1 HIS 4 HE1 HIS 4 0.466 -8.161 7.404 38 HE2 HIS 4 HE2 HIS 4 0.828 -5.696 7.765 39 H ALA 5 H ALA 5 0.314 -7.416 2.306 40 HA ALA 5 HA ALA 5 -2.025 -5.966 1.805 41 HB1 ALA 5 HB1 ALA 5 -1.775 -8.331 1.232 42 HB2 ALA 5 HB2 ALA 5 -3.211 -8.056 2.218 43 HB3 ALA 5 HB3 ALA 5 -1.762 -8.747 2.946 44 H GLY 6 H GLY 6 -3.138 -4.731 3.067 45 HA2 GLY 6 HA2 GLY 6 -4.565 -4.467 4.984 46 HA3 GLY 6 HA3 GLY 6 -3.431 -5.449 5.912 47 H ALA 7 H ALA 7 -2.071 -3.068 3.822 48 HA ALA 7 HA ALA 7 -1.388 -1.451 6.200 49 HB1 ALA 7 HB1 ALA 7 0.423 -0.533 4.855 50 HB2 ALA 7 HB2 ALA 7 -0.142 -1.444 3.454 51 HB3 ALA 7 HB3 ALA 7 0.489 -2.296 4.863 52 H ALA 8 H ALA 8 -1.876 0.778 6.288 53 HA ALA 8 HA ALA 8 -4.109 1.535 4.662 54 HB1 ALA 8 HB1 ALA 8 -2.594 3.229 6.631 55 HB2 ALA 8 HB2 ALA 8 -3.959 2.183 7.021 56 HB3 ALA 8 HB3 ALA 8 -4.187 3.565 5.946 57 H CYS 9 H CYS 9 -3.991 2.321 2.715 58 HA CYS 9 HA CYS 9 -2.013 4.390 2.109 59 HB2 CYS 9 HB2 CYS 9 -1.227 3.389 0.123 60 HB3 CYS 9 HB3 CYS 9 -1.197 2.097 1.317 61 H SER 10 H SER 10 -2.601 4.937 -0.489 62 HA SER 10 HA SER 10 -4.098 5.936 -1.887 63 HB2 SER 10 HB2 SER 10 -6.264 4.416 -0.417 64 HB3 SER 10 HB3 SER 10 -6.374 5.133 -2.024 65 HG SER 10 HG SER 10 -4.370 3.246 -1.498 66 H GLY 11 H GLY 11 -3.526 6.744 0.987 67 HA2 GLY 11 HA2 GLY 11 -5.785 8.564 1.453 68 HA3 GLY 11 HA3 GLY 11 -4.534 8.162 2.622 69 HA PRO 12 HA PRO 12 -3.596 12.467 0.926 70 HB2 PRO 12 HB2 PRO 12 -2.618 12.455 3.745 71 HB3 PRO 12 HB3 PRO 12 -3.406 13.747 2.835 72 HG2 PRO 12 HG2 PRO 12 -4.750 12.333 4.651 73 HG3 PRO 12 HG3 PRO 12 -5.518 12.864 3.144 74 HD2 PRO 12 HD2 PRO 12 -4.591 10.153 3.945 75 HD3 PRO 12 HD3 PRO 12 -5.921 10.631 2.879 76 H ILE 13 H ILE 13 -1.485 13.385 0.774 77 HA ILE 13 HA ILE 13 0.241 12.179 -0.651 78 HB ILE 13 HB ILE 13 0.717 14.407 0.036 79 HG12 ILE 13 HG12 ILE 13 3.054 12.562 0.606 80 HG13 ILE 13 HG13 ILE 13 2.559 13.172 -0.969 81 HG21 ILE 13 HG21 ILE 13 1.786 14.936 2.182 82 HG22 ILE 13 HG22 ILE 13 1.578 13.256 2.680 83 HG23 ILE 13 HG23 ILE 13 0.166 14.266 2.379 84 HD11 ILE 13 HD11 ILE 13 4.484 14.376 -0.127 85 HD12 ILE 13 HD12 ILE 13 3.582 14.835 1.316 86 HD13 ILE 13 HD13 ILE 13 3.088 15.442 -0.263 87 H GLN 14 H GLN 14 0.484 10.059 -0.583 88 HA GLN 14 HA GLN 14 2.183 8.961 1.549 89 HB2 GLN 14 HB2 GLN 14 0.026 8.041 1.970 90 HB3 GLN 14 HB3 GLN 14 -0.269 7.759 0.261 91 HG2 GLN 14 HG2 GLN 14 2.065 6.318 1.031 92 HG3 GLN 14 HG3 GLN 14 0.776 5.972 2.180 93 HE21 GLN 14 HE21 GLN 14 2.016 4.266 0.131 94 HE22 GLN 14 HE22 GLN 14 0.733 3.717 -0.889 95 H LYS 15 H LYS 15 4.039 9.278 0.201 96 HA LYS 15 HA LYS 15 4.052 7.603 -2.197 97 HB2 LYS 15 HB2 LYS 15 6.260 9.283 -0.983 98 HB3 LYS 15 HB3 LYS 15 6.316 8.491 -2.551 99 HG2 LYS 15 HG2 LYS 15 4.421 10.701 -1.772 100 HG3 LYS 15 HG3 LYS 15 5.894 10.902 -2.720 101 HD2 LYS 15 HD2 LYS 15 3.548 9.181 -3.523 102 HD3 LYS 15 HD3 LYS 15 3.837 10.821 -4.100 103 HE2 LYS 15 HE2 LYS 15 6.026 10.054 -5.000 104 HE3 LYS 15 HE3 LYS 15 5.595 8.409 -4.534 105 HZ1 LYS 15 HZ1 LYS 15 3.679 8.601 -5.994 106 HZ2 LYS 15 HZ2 LYS 15 5.070 8.786 -6.815 107 HZ3 LYS 15 HZ3 LYS 15 4.158 10.085 -6.466 108 H ILE 16 H ILE 16 3.989 5.602 -1.533 109 HA ILE 16 HA ILE 16 6.325 4.233 -0.726 110 HB ILE 16 HB ILE 16 3.975 3.989 1.183 111 HG12 ILE 16 HG12 ILE 16 6.702 5.198 1.630 112 HG13 ILE 16 HG13 ILE 16 5.144 5.989 1.810 113 HG21 ILE 16 HG21 ILE 16 5.399 2.399 2.378 114 HG22 ILE 16 HG22 ILE 16 6.661 2.617 1.167 115 HG23 ILE 16 HG23 ILE 16 5.123 1.887 0.712 116 HD11 ILE 16 HD11 ILE 16 6.200 3.767 3.535 117 HD12 ILE 16 HD12 ILE 16 4.631 4.555 3.709 118 HD13 ILE 16 HD13 ILE 16 6.114 5.475 3.965 119 HA PRO 17 HA PRO 17 3.326 2.147 -3.420 120 HB2 PRO 17 HB2 PRO 17 5.094 0.508 -4.692 121 HB3 PRO 17 HB3 PRO 17 4.844 2.196 -5.151 122 HG2 PRO 17 HG2 PRO 17 7.032 0.975 -3.529 123 HG3 PRO 17 HG3 PRO 17 7.117 2.273 -4.731 124 HD2 PRO 17 HD2 PRO 17 7.127 2.698 -2.026 125 HD3 PRO 17 HD3 PRO 17 6.537 3.884 -3.205 126 H CYS 18 H CYS 18 2.097 0.498 -2.726 127 HA CYS 18 HA CYS 18 3.164 -1.393 -0.824 128 HB2 CYS 18 HB2 CYS 18 0.450 -1.608 -2.081 129 HB3 CYS 18 HB3 CYS 18 0.979 -2.120 -0.488 130 H CYS 19 H CYS 19 3.313 -3.658 -1.157 131 HA CYS 19 HA CYS 19 3.239 -4.502 -3.955 132 HB2 CYS 19 HB2 CYS 19 3.859 -6.000 -1.388 133 HB3 CYS 19 HB3 CYS 19 3.856 -6.751 -2.978 134 H GLY 20 H GLY 20 1.063 -3.944 -4.218 135 HA2 GLY 20 HA2 GLY 20 -0.892 -5.868 -3.947 136 HA3 GLY 20 HA3 GLY 20 -1.018 -4.850 -2.514 137 H THR 21 H THR 21 -3.190 -4.747 -3.982 138 HA THR 21 HA THR 21 -3.025 -2.372 -5.676 139 HB THR 21 HB THR 21 -5.423 -3.942 -4.728 140 HG1 THR 21 HG1 THR 21 -4.724 -5.279 -6.217 141 HG21 THR 21 HG21 THR 21 -6.585 -2.766 -6.614 142 HG22 THR 21 HG22 THR 21 -5.180 -1.706 -6.729 143 HG23 THR 21 HG23 THR 21 -6.147 -1.738 -5.250 144 H CYS 22 H CYS 22 -3.284 -0.340 -4.871 145 HA CYS 22 HA CYS 22 -3.822 0.038 -2.090 146 HB2 CYS 22 HB2 CYS 22 -2.906 1.631 -4.341 147 HB3 CYS 22 HB3 CYS 22 -4.012 2.522 -3.300 148 H SER 23 H SER 23 -5.808 -0.465 -1.460 149 HA SER 23 HA SER 23 -8.070 0.627 -2.965 150 HB2 SER 23 HB2 SER 23 -7.681 -2.107 -1.747 151 HB3 SER 23 HB3 SER 23 -9.228 -1.513 -2.311 152 HG SER 23 HG SER 23 -7.754 -1.046 -4.313 153 H ARG 24 H ARG 24 -9.074 2.064 -1.786 154 HA ARG 24 HA ARG 24 -9.882 3.264 -0.030 155 HB2 ARG 24 HB2 ARG 24 -11.586 2.028 1.261 156 HB3 ARG 24 HB3 ARG 24 -11.696 1.765 -0.471 157 HG2 ARG 24 HG2 ARG 24 -10.732 -0.416 -0.267 158 HG3 ARG 24 HG3 ARG 24 -10.370 -0.146 1.439 159 HD2 ARG 24 HD2 ARG 24 -12.362 -1.540 1.109 160 HD3 ARG 24 HD3 ARG 24 -12.719 -0.037 1.956 161 HE ARG 24 HE ARG 24 -13.111 0.227 -0.853 162 HH11 ARG 24 HH11 ARG 24 -14.577 -0.996 2.066 163 HH12 ARG 24 HH12 ARG 24 -16.196 -0.897 1.451 164 HH21 ARG 24 HH21 ARG 24 -15.233 0.404 -1.661 165 HH22 ARG 24 HH22 ARG 24 -16.570 -0.084 -0.666 166 H ARG 25 H ARG 25 -7.399 3.141 0.700 167 HA ARG 25 HA ARG 25 -6.074 3.477 2.489 168 HB2 ARG 25 HB2 ARG 25 -8.693 3.182 3.859 169 HB3 ARG 25 HB3 ARG 25 -7.233 3.094 4.837 170 HG2 ARG 25 HG2 ARG 25 -6.547 5.271 4.106 171 HG3 ARG 25 HG3 ARG 25 -7.899 5.362 2.973 172 HD2 ARG 25 HD2 ARG 25 -8.396 6.654 4.955 173 HD3 ARG 25 HD3 ARG 25 -9.461 5.252 4.874 174 HE ARG 25 HE ARG 25 -7.611 4.275 6.452 175 HH11 ARG 25 HH11 ARG 25 -8.996 7.489 6.480 176 HH12 ARG 25 HH12 ARG 25 -8.739 7.718 8.181 177 HH21 ARG 25 HH21 ARG 25 -7.284 4.575 8.692 178 HH22 ARG 25 HH22 ARG 25 -7.776 6.063 9.436 179 H LYS 26 H LYS 26 -6.704 0.704 1.327 180 HA LYS 26 HA LYS 26 -4.870 -0.540 3.244 181 HB2 LYS 26 HB2 LYS 26 -7.093 -2.077 1.910 182 HB3 LYS 26 HB3 LYS 26 -5.880 -2.720 2.990 183 HG2 LYS 26 HG2 LYS 26 -7.582 -2.573 4.462 184 HG3 LYS 26 HG3 LYS 26 -6.947 -0.937 4.641 185 HD2 LYS 26 HD2 LYS 26 -8.607 -0.088 3.097 186 HD3 LYS 26 HD3 LYS 26 -9.205 -1.720 2.792 187 HE2 LYS 26 HE2 LYS 26 -9.288 -0.253 5.429 188 HE3 LYS 26 HE3 LYS 26 -10.654 -0.521 4.348 189 HZ1 LYS 26 HZ1 LYS 26 -10.343 -2.893 4.703 190 HZ2 LYS 26 HZ2 LYS 26 -10.661 -2.122 6.095 191 HZ3 LYS 26 HZ3 LYS 26 -9.145 -2.598 5.767 192 H CYS 27 H CYS 27 -3.148 -1.413 2.314 193 HA CYS 27 HA CYS 27 -2.951 -1.716 -0.545 194 HB2 CYS 27 HB2 CYS 27 -1.066 -2.723 1.601 195 HB3 CYS 27 HB3 CYS 27 -0.709 -2.478 -0.095 196 H THR 28 H THR 28 -3.533 -3.535 -1.582 197 HA THR 28 HA THR 28 -4.385 -5.771 0.127 198 HB THR 28 HB THR 28 -6.171 -6.213 -1.551 199 HG1 THR 28 HG1 THR 28 -5.461 -3.658 -2.610 200 HG21 THR 28 HG21 THR 28 -6.758 -4.951 0.422 201 HG22 THR 28 HG22 THR 28 -7.592 -4.250 -0.968 202 HG23 THR 28 HG23 THR 28 -6.159 -3.462 -0.306 Start of MODEL 7 1 H1 ARG 1 H1 ARG 1 12.130 -0.489 -0.297 2 H2 ARG 1 H2 ARG 1 10.934 0.470 -0.830 3 H3 ARG 1 H3 ARG 1 11.180 -0.977 -1.525 4 HA ARG 1 HA ARG 1 10.563 -2.127 0.456 5 HB2 ARG 1 HB2 ARG 1 9.686 -0.882 2.356 6 HB3 ARG 1 HB3 ARG 1 11.323 -0.343 2.008 7 HG2 ARG 1 HG2 ARG 1 10.440 1.616 0.855 8 HG3 ARG 1 HG3 ARG 1 8.797 1.077 1.196 9 HD2 ARG 1 HD2 ARG 1 9.498 2.795 2.774 10 HD3 ARG 1 HD3 ARG 1 9.231 1.258 3.591 11 HE ARG 1 HE ARG 1 11.516 1.076 3.987 12 HH11 ARG 1 HH11 ARG 1 10.815 3.907 2.043 13 HH12 ARG 1 HH12 ARG 1 12.340 4.666 2.374 14 HH21 ARG 1 HH21 ARG 1 13.522 2.072 4.416 15 HH22 ARG 1 HH22 ARG 1 13.880 3.623 3.724 16 H CYS 2 H CYS 2 8.290 -2.584 0.934 17 HA CYS 2 HA CYS 2 6.345 -0.889 -0.397 18 HB2 CYS 2 HB2 CYS 2 5.362 -2.625 -1.730 19 HB3 CYS 2 HB3 CYS 2 7.071 -2.534 -2.121 20 H LEU 3 H LEU 3 4.230 -1.215 0.285 21 HA LEU 3 HA LEU 3 4.032 -2.122 3.002 22 HB2 LEU 3 HB2 LEU 3 2.055 -0.884 1.093 23 HB3 LEU 3 HB3 LEU 3 1.675 -1.274 2.760 24 HG LEU 3 HG LEU 3 3.831 0.664 1.899 25 HD11 LEU 3 HD11 LEU 3 1.620 1.496 1.310 26 HD12 LEU 3 HD12 LEU 3 2.310 2.415 2.649 27 HD13 LEU 3 HD13 LEU 3 1.063 1.206 2.958 28 HD21 LEU 3 HD21 LEU 3 3.792 1.348 4.257 29 HD22 LEU 3 HD22 LEU 3 4.287 -0.333 4.058 30 HD23 LEU 3 HD23 LEU 3 2.655 0.047 4.604 31 H HIS 4 H HIS 4 2.838 -3.817 3.768 32 HA HIS 4 HA HIS 4 2.358 -5.946 1.857 33 HB2 HIS 4 HB2 HIS 4 2.361 -7.424 3.684 34 HB3 HIS 4 HB3 HIS 4 3.534 -6.202 4.140 35 HD1 HIS 4 HD1 HIS 4 1.143 -8.142 5.682 36 HD2 HIS 4 HD2 HIS 4 1.818 -4.050 5.685 37 HE1 HIS 4 HE1 HIS 4 0.033 -7.280 7.768 38 HE2 HIS 4 HE2 HIS 4 0.328 -4.777 7.671 39 H ALA 5 H ALA 5 0.362 -7.395 2.509 40 HA ALA 5 HA ALA 5 -1.963 -5.932 1.859 41 HB1 ALA 5 HB1 ALA 5 -3.143 -8.046 2.138 42 HB2 ALA 5 HB2 ALA 5 -1.723 -8.748 2.916 43 HB3 ALA 5 HB3 ALA 5 -1.655 -8.272 1.218 44 H GLY 6 H GLY 6 -3.018 -4.652 3.152 45 HA2 GLY 6 HA2 GLY 6 -4.513 -4.483 5.064 46 HA3 GLY 6 HA3 GLY 6 -3.345 -5.437 5.981 47 H ALA 7 H ALA 7 -2.061 -3.061 3.859 48 HA ALA 7 HA ALA 7 -1.360 -1.407 6.208 49 HB1 ALA 7 HB1 ALA 7 0.517 -2.227 4.882 50 HB2 ALA 7 HB2 ALA 7 0.403 -0.470 4.793 51 HB3 ALA 7 HB3 ALA 7 -0.157 -1.460 3.445 52 H ALA 8 H ALA 8 -1.650 0.899 6.119 53 HA ALA 8 HA ALA 8 -4.013 1.593 4.605 54 HB1 ALA 8 HB1 ALA 8 -2.436 3.300 6.512 55 HB2 ALA 8 HB2 ALA 8 -3.800 2.274 6.949 56 HB3 ALA 8 HB3 ALA 8 -4.041 3.645 5.861 57 H CYS 9 H CYS 9 -3.948 2.383 2.649 58 HA CYS 9 HA CYS 9 -1.939 4.402 1.989 59 HB2 CYS 9 HB2 CYS 9 -1.250 3.353 -0.042 60 HB3 CYS 9 HB3 CYS 9 -1.078 2.165 1.246 61 H SER 10 H SER 10 -2.477 5.052 -0.520 62 HA SER 10 HA SER 10 -3.905 6.214 -1.855 63 HB2 SER 10 HB2 SER 10 -5.997 4.366 -0.685 64 HB3 SER 10 HB3 SER 10 -6.271 5.464 -2.038 65 HG SER 10 HG SER 10 -4.110 4.102 -2.632 66 H GLY 11 H GLY 11 -3.582 6.633 1.185 67 HA2 GLY 11 HA2 GLY 11 -5.839 8.434 1.680 68 HA3 GLY 11 HA3 GLY 11 -4.634 7.929 2.861 69 HA PRO 12 HA PRO 12 -3.751 12.448 1.743 70 HB2 PRO 12 HB2 PRO 12 -2.535 11.855 4.416 71 HB3 PRO 12 HB3 PRO 12 -3.301 13.339 3.838 72 HG2 PRO 12 HG2 PRO 12 -4.609 11.649 5.439 73 HG3 PRO 12 HG3 PRO 12 -5.438 12.515 4.135 74 HD2 PRO 12 HD2 PRO 12 -4.715 9.653 4.333 75 HD3 PRO 12 HD3 PRO 12 -5.999 10.435 3.393 76 H ILE 13 H ILE 13 -1.841 13.173 0.976 77 HA ILE 13 HA ILE 13 -0.323 11.866 -0.585 78 HB ILE 13 HB ILE 13 0.146 14.171 -0.284 79 HG12 ILE 13 HG12 ILE 13 2.667 12.569 0.204 80 HG13 ILE 13 HG13 ILE 13 1.894 12.809 -1.358 81 HG21 ILE 13 HG21 ILE 13 -0.039 14.308 2.129 82 HG22 ILE 13 HG22 ILE 13 1.466 15.042 1.580 83 HG23 ILE 13 HG23 ILE 13 1.483 13.439 2.312 84 HD11 ILE 13 HD11 ILE 13 3.088 14.969 0.363 85 HD12 ILE 13 HD12 ILE 13 2.328 15.198 -1.211 86 HD13 ILE 13 HD13 ILE 13 3.817 14.264 -1.080 87 H GLN 14 H GLN 14 0.103 9.801 -0.357 88 HA GLN 14 HA GLN 14 2.084 8.994 1.659 89 HB2 GLN 14 HB2 GLN 14 0.144 7.893 2.362 90 HB3 GLN 14 HB3 GLN 14 -0.423 7.636 0.722 91 HG2 GLN 14 HG2 GLN 14 2.078 6.252 1.269 92 HG3 GLN 14 HG3 GLN 14 0.774 5.765 2.349 93 HE21 GLN 14 HE21 GLN 14 2.059 4.205 0.250 94 HE22 GLN 14 HE22 GLN 14 0.816 3.752 -0.871 95 H LYS 15 H LYS 15 3.871 9.199 0.309 96 HA LYS 15 HA LYS 15 3.795 7.480 -2.047 97 HB2 LYS 15 HB2 LYS 15 6.183 8.348 -2.349 98 HB3 LYS 15 HB3 LYS 15 4.870 9.490 -2.580 99 HG2 LYS 15 HG2 LYS 15 5.251 10.291 -0.248 100 HG3 LYS 15 HG3 LYS 15 6.675 9.250 -0.182 101 HD2 LYS 15 HD2 LYS 15 7.296 11.538 -0.747 102 HD3 LYS 15 HD3 LYS 15 7.629 10.449 -2.095 103 HE2 LYS 15 HE2 LYS 15 5.567 11.158 -3.188 104 HE3 LYS 15 HE3 LYS 15 5.195 12.214 -1.828 105 HZ1 LYS 15 HZ1 LYS 15 7.556 12.490 -3.543 106 HZ2 LYS 15 HZ2 LYS 15 7.104 13.508 -2.362 107 HZ3 LYS 15 HZ3 LYS 15 6.195 13.368 -3.703 108 H ILE 16 H ILE 16 3.825 5.518 -1.412 109 HA ILE 16 HA ILE 16 6.251 4.216 -0.766 110 HB ILE 16 HB ILE 16 4.008 3.865 1.257 111 HG12 ILE 16 HG12 ILE 16 6.757 5.063 1.560 112 HG13 ILE 16 HG13 ILE 16 5.211 5.832 1.883 113 HG21 ILE 16 HG21 ILE 16 6.680 2.485 1.012 114 HG22 ILE 16 HG22 ILE 16 5.104 1.779 0.658 115 HG23 ILE 16 HG23 ILE 16 5.512 2.238 2.311 116 HD11 ILE 16 HD11 ILE 16 6.367 5.231 3.938 117 HD12 ILE 16 HD12 ILE 16 6.375 3.539 3.441 118 HD13 ILE 16 HD13 ILE 16 4.847 4.355 3.770 119 HA PRO 17 HA PRO 17 3.268 2.104 -3.448 120 HB2 PRO 17 HB2 PRO 17 5.082 0.474 -4.696 121 HB3 PRO 17 HB3 PRO 17 4.753 2.134 -5.198 122 HG2 PRO 17 HG2 PRO 17 7.017 1.048 -3.592 123 HG3 PRO 17 HG3 PRO 17 7.018 2.342 -4.802 124 HD2 PRO 17 HD2 PRO 17 7.065 2.782 -2.104 125 HD3 PRO 17 HD3 PRO 17 6.386 3.931 -3.273 126 H CYS 18 H CYS 18 2.056 0.460 -2.719 127 HA CYS 18 HA CYS 18 3.156 -1.422 -0.830 128 HB2 CYS 18 HB2 CYS 18 0.419 -1.615 -2.053 129 HB3 CYS 18 HB3 CYS 18 0.966 -2.170 -0.479 130 H CYS 19 H CYS 19 3.369 -3.671 -1.157 131 HA CYS 19 HA CYS 19 3.324 -4.520 -3.948 132 HB2 CYS 19 HB2 CYS 19 3.980 -5.960 -1.363 133 HB3 CYS 19 HB3 CYS 19 3.881 -6.796 -2.909 134 H GLY 20 H GLY 20 1.175 -3.996 -4.274 135 HA2 GLY 20 HA2 GLY 20 -0.772 -5.930 -4.064 136 HA3 GLY 20 HA3 GLY 20 -0.952 -4.911 -2.637 137 H THR 21 H THR 21 -3.070 -4.809 -4.178 138 HA THR 21 HA THR 21 -2.817 -2.359 -5.759 139 HB THR 21 HB THR 21 -5.302 -3.958 -5.130 140 HG1 THR 21 HG1 THR 21 -3.264 -4.385 -6.912 141 HG21 THR 21 HG21 THR 21 -4.777 -1.839 -7.211 142 HG22 THR 21 HG22 THR 21 -5.738 -1.634 -5.748 143 HG23 THR 21 HG23 THR 21 -6.279 -2.739 -7.011 144 H CYS 22 H CYS 22 -3.237 -0.391 -4.875 145 HA CYS 22 HA CYS 22 -3.942 -0.201 -2.115 146 HB2 CYS 22 HB2 CYS 22 -2.989 1.592 -4.243 147 HB3 CYS 22 HB3 CYS 22 -4.009 2.352 -3.030 148 H SER 23 H SER 23 -5.930 -0.312 -1.388 149 HA SER 23 HA SER 23 -8.113 0.792 -3.012 150 HB2 SER 23 HB2 SER 23 -7.965 -1.692 -3.289 151 HB3 SER 23 HB3 SER 23 -8.219 -1.860 -1.554 152 HG SER 23 HG SER 23 -10.009 -0.731 -3.449 153 H ARG 24 H ARG 24 -8.931 2.388 -1.867 154 HA ARG 24 HA ARG 24 -9.645 3.663 -0.128 155 HB2 ARG 24 HB2 ARG 24 -11.514 2.447 1.162 156 HB3 ARG 24 HB3 ARG 24 -11.679 2.676 -0.568 157 HG2 ARG 24 HG2 ARG 24 -12.315 0.514 -0.458 158 HG3 ARG 24 HG3 ARG 24 -10.578 0.252 -0.597 159 HD2 ARG 24 HD2 ARG 24 -11.457 -1.140 1.160 160 HD3 ARG 24 HD3 ARG 24 -10.443 0.117 1.867 161 HE ARG 24 HE ARG 24 -12.843 1.247 2.049 162 HH11 ARG 24 HH11 ARG 24 -11.818 -2.010 2.841 163 HH12 ARG 24 HH12 ARG 24 -13.014 -2.212 4.081 164 HH21 ARG 24 HH21 ARG 24 -14.420 0.971 3.657 165 HH22 ARG 24 HH22 ARG 24 -14.502 -0.521 4.540 166 H ARG 25 H ARG 25 -7.303 3.301 0.671 167 HA ARG 25 HA ARG 25 -6.002 3.592 2.470 168 HB2 ARG 25 HB2 ARG 25 -8.629 3.415 3.830 169 HB3 ARG 25 HB3 ARG 25 -7.182 3.226 4.814 170 HG2 ARG 25 HG2 ARG 25 -6.338 5.364 3.943 171 HG3 ARG 25 HG3 ARG 25 -7.845 5.568 3.041 172 HD2 ARG 25 HD2 ARG 25 -9.078 5.456 5.197 173 HD3 ARG 25 HD3 ARG 25 -7.529 5.399 6.036 174 HE ARG 25 HE ARG 25 -8.249 7.666 4.297 175 HH11 ARG 25 HH11 ARG 25 -7.193 6.420 7.392 176 HH12 ARG 25 HH12 ARG 25 -6.911 7.990 8.067 177 HH21 ARG 25 HH21 ARG 25 -7.874 9.733 5.187 178 HH22 ARG 25 HH22 ARG 25 -7.292 9.875 6.815 179 H LYS 26 H LYS 26 -6.685 0.839 1.297 180 HA LYS 26 HA LYS 26 -4.890 -0.438 3.226 181 HB2 LYS 26 HB2 LYS 26 -7.233 -1.853 1.971 182 HB3 LYS 26 HB3 LYS 26 -5.959 -2.623 2.880 183 HG2 LYS 26 HG2 LYS 26 -7.639 -2.502 4.434 184 HG3 LYS 26 HG3 LYS 26 -6.706 -1.054 4.801 185 HD2 LYS 26 HD2 LYS 26 -8.280 0.332 3.654 186 HD3 LYS 26 HD3 LYS 26 -9.130 -1.074 3.013 187 HE2 LYS 26 HE2 LYS 26 -10.342 -0.071 4.884 188 HE3 LYS 26 HE3 LYS 26 -9.809 -1.708 5.262 189 HZ1 LYS 26 HZ1 LYS 26 -8.510 0.765 6.162 190 HZ2 LYS 26 HZ2 LYS 26 -7.978 -0.736 6.486 191 HZ3 LYS 26 HZ3 LYS 26 -9.402 -0.237 7.086 192 H CYS 27 H CYS 27 -3.210 -1.426 2.323 193 HA CYS 27 HA CYS 27 -3.008 -1.738 -0.544 194 HB2 CYS 27 HB2 CYS 27 -1.121 -2.779 1.582 195 HB3 CYS 27 HB3 CYS 27 -0.770 -2.497 -0.107 196 H THR 28 H THR 28 -3.546 -3.589 -1.580 197 HA THR 28 HA THR 28 -4.268 -5.900 0.103 198 HB THR 28 HB THR 28 -6.037 -6.454 -1.474 199 HG1 THR 28 HG1 THR 28 -4.782 -5.333 -3.267 200 HG21 THR 28 HG21 THR 28 -7.526 -4.502 -1.179 201 HG22 THR 28 HG22 THR 28 -6.138 -3.547 -0.658 202 HG23 THR 28 HG23 THR 28 -6.669 -4.926 0.302 Start of MODEL 8 1 H1 ARG 1 H1 ARG 1 12.303 -1.064 -0.359 2 H2 ARG 1 H2 ARG 1 11.216 0.131 -0.514 3 H3 ARG 1 H3 ARG 1 11.185 -1.125 -1.541 4 HA ARG 1 HA ARG 1 10.608 -2.633 0.201 5 HB2 ARG 1 HB2 ARG 1 10.040 -1.755 2.404 6 HB3 ARG 1 HB3 ARG 1 11.710 -1.374 2.013 7 HG2 ARG 1 HG2 ARG 1 11.054 0.909 1.432 8 HG3 ARG 1 HG3 ARG 1 9.377 0.524 1.827 9 HD2 ARG 1 HD2 ARG 1 10.043 0.022 4.127 10 HD3 ARG 1 HD3 ARG 1 11.713 0.412 3.730 11 HE ARG 1 HE ARG 1 10.099 2.614 3.091 12 HH11 ARG 1 HH11 ARG 1 11.221 0.841 5.892 13 HH12 ARG 1 HH12 ARG 1 11.177 2.219 6.942 14 HH21 ARG 1 HH21 ARG 1 10.032 4.431 4.475 15 HH22 ARG 1 HH22 ARG 1 10.491 4.261 6.137 16 H CYS 2 H CYS 2 8.319 -2.825 0.985 17 HA CYS 2 HA CYS 2 6.533 -0.854 -0.232 18 HB2 CYS 2 HB2 CYS 2 5.284 -2.514 -1.453 19 HB3 CYS 2 HB3 CYS 2 6.974 -2.648 -1.918 20 H LEU 3 H LEU 3 4.246 -1.321 0.322 21 HA LEU 3 HA LEU 3 3.992 -2.126 3.101 22 HB2 LEU 3 HB2 LEU 3 2.053 -0.886 1.143 23 HB3 LEU 3 HB3 LEU 3 1.683 -1.221 2.824 24 HG LEU 3 HG LEU 3 3.815 0.694 1.862 25 HD11 LEU 3 HD11 LEU 3 2.310 2.452 2.621 26 HD12 LEU 3 HD12 LEU 3 1.088 1.243 3.019 27 HD13 LEU 3 HD13 LEU 3 1.571 1.489 1.340 28 HD21 LEU 3 HD21 LEU 3 3.877 1.425 4.198 29 HD22 LEU 3 HD22 LEU 3 4.350 -0.264 4.027 30 HD23 LEU 3 HD23 LEU 3 2.742 0.144 4.623 31 H HIS 4 H HIS 4 2.877 -3.923 3.754 32 HA HIS 4 HA HIS 4 2.341 -5.879 1.675 33 HB2 HIS 4 HB2 HIS 4 2.337 -7.531 3.378 34 HB3 HIS 4 HB3 HIS 4 3.633 -6.422 3.791 35 HD1 HIS 4 HD1 HIS 4 1.301 -8.325 5.457 36 HD2 HIS 4 HD2 HIS 4 2.241 -4.295 5.642 37 HE1 HIS 4 HE1 HIS 4 0.507 -7.552 7.714 38 HE2 HIS 4 HE2 HIS 4 1.270 -5.160 7.877 39 H ALA 5 H ALA 5 0.377 -7.430 2.444 40 HA ALA 5 HA ALA 5 -1.964 -6.023 1.813 41 HB1 ALA 5 HB1 ALA 5 -1.672 -8.398 1.315 42 HB2 ALA 5 HB2 ALA 5 -3.132 -8.117 2.260 43 HB3 ALA 5 HB3 ALA 5 -1.689 -8.766 3.037 44 H GLY 6 H GLY 6 -3.181 -4.817 3.005 45 HA2 GLY 6 HA2 GLY 6 -4.647 -4.484 4.855 46 HA3 GLY 6 HA3 GLY 6 -3.578 -5.483 5.842 47 H ALA 7 H ALA 7 -2.127 -3.121 3.788 48 HA ALA 7 HA ALA 7 -1.432 -1.553 6.197 49 HB1 ALA 7 HB1 ALA 7 0.414 -0.658 4.856 50 HB2 ALA 7 HB2 ALA 7 -0.144 -1.596 3.470 51 HB3 ALA 7 HB3 ALA 7 0.450 -2.420 4.911 52 H ALA 8 H ALA 8 -1.840 0.684 6.299 53 HA ALA 8 HA ALA 8 -4.053 1.537 4.711 54 HB1 ALA 8 HB1 ALA 8 -4.002 3.581 5.987 55 HB2 ALA 8 HB2 ALA 8 -2.412 3.167 6.637 56 HB3 ALA 8 HB3 ALA 8 -3.819 2.192 7.062 57 H CYS 9 H CYS 9 -3.980 2.358 2.777 58 HA CYS 9 HA CYS 9 -1.970 4.362 2.124 59 HB2 CYS 9 HB2 CYS 9 -1.201 3.335 0.140 60 HB3 CYS 9 HB3 CYS 9 -1.139 2.077 1.371 61 H SER 10 H SER 10 -2.489 5.095 -0.315 62 HA SER 10 HA SER 10 -3.925 6.087 -1.766 63 HB2 SER 10 HB2 SER 10 -6.126 4.473 -0.461 64 HB3 SER 10 HB3 SER 10 -6.231 5.337 -1.997 65 HG SER 10 HG SER 10 -4.513 3.160 -1.390 66 H GLY 11 H GLY 11 -3.651 6.622 1.317 67 HA2 GLY 11 HA2 GLY 11 -5.813 8.536 1.683 68 HA3 GLY 11 HA3 GLY 11 -4.544 8.159 2.839 69 HA PRO 12 HA PRO 12 -3.742 12.524 1.187 70 HB2 PRO 12 HB2 PRO 12 -2.491 12.300 3.896 71 HB3 PRO 12 HB3 PRO 12 -3.298 13.679 3.143 72 HG2 PRO 12 HG2 PRO 12 -4.537 12.171 4.971 73 HG3 PRO 12 HG3 PRO 12 -5.408 12.866 3.593 74 HD2 PRO 12 HD2 PRO 12 -4.644 10.057 4.113 75 HD3 PRO 12 HD3 PRO 12 -5.950 10.712 3.110 76 H ILE 13 H ILE 13 -1.750 13.336 0.579 77 HA ILE 13 HA ILE 13 -0.211 12.033 -0.964 78 HB ILE 13 HB ILE 13 0.307 14.311 -0.604 79 HG12 ILE 13 HG12 ILE 13 2.742 12.598 -0.064 80 HG13 ILE 13 HG13 ILE 13 2.065 12.974 -1.643 81 HG21 ILE 13 HG21 ILE 13 0.017 14.401 1.805 82 HG22 ILE 13 HG22 ILE 13 1.547 15.133 1.324 83 HG23 ILE 13 HG23 ILE 13 1.527 13.516 2.030 84 HD11 ILE 13 HD11 ILE 13 2.617 15.313 -1.345 85 HD12 ILE 13 HD12 ILE 13 4.048 14.300 -1.153 86 HD13 ILE 13 HD13 ILE 13 3.246 14.973 0.266 87 H GLN 14 H GLN 14 0.158 9.952 -0.766 88 HA GLN 14 HA GLN 14 2.060 9.074 1.292 89 HB2 GLN 14 HB2 GLN 14 -0.009 8.112 1.931 90 HB3 GLN 14 HB3 GLN 14 -0.433 7.727 0.271 91 HG2 GLN 14 HG2 GLN 14 2.013 6.411 1.063 92 HG3 GLN 14 HG3 GLN 14 0.689 6.023 2.153 93 HE21 GLN 14 HE21 GLN 14 2.081 4.344 0.186 94 HE22 GLN 14 HE22 GLN 14 0.867 3.743 -0.893 95 H LYS 15 H LYS 15 3.831 9.311 -0.127 96 HA LYS 15 HA LYS 15 3.788 7.440 -2.365 97 HB2 LYS 15 HB2 LYS 15 6.168 8.268 -2.711 98 HB3 LYS 15 HB3 LYS 15 4.897 9.458 -2.942 99 HG2 LYS 15 HG2 LYS 15 5.336 10.321 -0.672 100 HG3 LYS 15 HG3 LYS 15 6.670 9.177 -0.523 101 HD2 LYS 15 HD2 LYS 15 7.835 10.223 -2.354 102 HD3 LYS 15 HD3 LYS 15 6.456 11.275 -2.679 103 HE2 LYS 15 HE2 LYS 15 6.741 12.238 -0.399 104 HE3 LYS 15 HE3 LYS 15 8.210 11.282 -0.228 105 HZ1 LYS 15 HZ1 LYS 15 9.098 12.459 -2.129 106 HZ2 LYS 15 HZ2 LYS 15 8.705 13.500 -0.946 107 HZ3 LYS 15 HZ3 LYS 15 7.746 13.358 -2.249 108 H ILE 16 H ILE 16 3.812 5.505 -1.642 109 HA ILE 16 HA ILE 16 6.193 4.243 -0.757 110 HB ILE 16 HB ILE 16 3.805 3.906 1.084 111 HG12 ILE 16 HG12 ILE 16 6.408 5.336 1.625 112 HG13 ILE 16 HG13 ILE 16 4.797 6.034 1.649 113 HG21 ILE 16 HG21 ILE 16 5.181 1.905 0.706 114 HG22 ILE 16 HG22 ILE 16 5.288 2.469 2.375 115 HG23 ILE 16 HG23 ILE 16 6.606 2.793 1.248 116 HD11 ILE 16 HD11 ILE 16 5.853 3.969 3.557 117 HD12 ILE 16 HD12 ILE 16 4.225 4.647 3.573 118 HD13 ILE 16 HD13 ILE 16 5.616 5.684 3.896 119 HA PRO 17 HA PRO 17 3.313 2.025 -3.457 120 HB2 PRO 17 HB2 PRO 17 5.134 0.366 -4.623 121 HB3 PRO 17 HB3 PRO 17 4.871 2.033 -5.147 122 HG2 PRO 17 HG2 PRO 17 7.036 0.903 -3.432 123 HG3 PRO 17 HG3 PRO 17 7.126 2.163 -4.675 124 HD2 PRO 17 HD2 PRO 17 7.065 2.672 -1.986 125 HD3 PRO 17 HD3 PRO 17 6.485 3.814 -3.216 126 H CYS 18 H CYS 18 2.078 0.425 -2.688 127 HA CYS 18 HA CYS 18 3.146 -1.451 -0.776 128 HB2 CYS 18 HB2 CYS 18 0.432 -1.653 -2.041 129 HB3 CYS 18 HB3 CYS 18 0.959 -2.197 -0.457 130 H CYS 19 H CYS 19 3.301 -3.722 -1.100 131 HA CYS 19 HA CYS 19 3.324 -4.547 -3.897 132 HB2 CYS 19 HB2 CYS 19 3.797 -6.081 -1.321 133 HB3 CYS 19 HB3 CYS 19 3.860 -6.816 -2.920 134 H GLY 20 H GLY 20 1.190 -3.951 -4.268 135 HA2 GLY 20 HA2 GLY 20 -0.823 -5.824 -4.106 136 HA3 GLY 20 HA3 GLY 20 -0.984 -4.821 -2.664 137 H THR 21 H THR 21 -3.092 -4.638 -4.206 138 HA THR 21 HA THR 21 -2.754 -2.183 -5.767 139 HB THR 21 HB THR 21 -5.261 -3.784 -5.231 140 HG1 THR 21 HG1 THR 21 -3.699 -4.926 -6.504 141 HG21 THR 21 HG21 THR 21 -4.709 -1.589 -7.227 142 HG22 THR 21 HG22 THR 21 -5.710 -1.449 -5.783 143 HG23 THR 21 HG23 THR 21 -6.206 -2.513 -7.099 144 H CYS 22 H CYS 22 -3.221 -0.214 -4.901 145 HA CYS 22 HA CYS 22 -3.882 -0.051 -2.123 146 HB2 CYS 22 HB2 CYS 22 -2.925 1.728 -4.241 147 HB3 CYS 22 HB3 CYS 22 -3.981 2.510 -3.071 148 H SER 23 H SER 23 -5.868 -0.045 -1.310 149 HA SER 23 HA SER 23 -8.054 1.185 -2.796 150 HB2 SER 23 HB2 SER 23 -7.773 -1.325 -3.402 151 HB3 SER 23 HB3 SER 23 -8.393 -1.630 -1.782 152 HG SER 23 HG SER 23 -9.688 -0.236 -3.889 153 H ARG 24 H ARG 24 -9.304 2.279 -1.459 154 HA ARG 24 HA ARG 24 -10.195 3.177 0.419 155 HB2 ARG 24 HB2 ARG 24 -11.649 1.658 1.651 156 HB3 ARG 24 HB3 ARG 24 -11.753 1.385 -0.080 157 HG2 ARG 24 HG2 ARG 24 -10.272 -0.568 0.166 158 HG3 ARG 24 HG3 ARG 24 -10.251 -0.305 1.911 159 HD2 ARG 24 HD2 ARG 24 -11.861 -2.013 1.366 160 HD3 ARG 24 HD3 ARG 24 -12.696 -0.577 1.951 161 HE ARG 24 HE ARG 24 -12.537 -0.461 -0.850 162 HH11 ARG 24 HH11 ARG 24 -14.134 -2.297 1.655 163 HH12 ARG 24 HH12 ARG 24 -15.528 -2.650 0.689 164 HH21 ARG 24 HH21 ARG 24 -14.353 -0.914 -2.129 165 HH22 ARG 24 HH22 ARG 24 -15.655 -1.859 -1.480 166 H ARG 25 H ARG 25 -7.550 3.170 0.884 167 HA ARG 25 HA ARG 25 -6.067 3.493 2.545 168 HB2 ARG 25 HB2 ARG 25 -8.579 3.269 4.096 169 HB3 ARG 25 HB3 ARG 25 -7.070 3.102 4.983 170 HG2 ARG 25 HG2 ARG 25 -6.323 5.259 4.116 171 HG3 ARG 25 HG3 ARG 25 -7.852 5.432 3.247 172 HD2 ARG 25 HD2 ARG 25 -9.067 5.383 5.360 173 HD3 ARG 25 HD3 ARG 25 -7.552 5.158 6.234 174 HE ARG 25 HE ARG 25 -7.807 7.541 4.575 175 HH11 ARG 25 HH11 ARG 25 -7.899 6.120 7.771 176 HH12 ARG 25 HH12 ARG 25 -7.641 7.631 8.587 177 HH21 ARG 25 HH21 ARG 25 -7.480 9.531 5.642 178 HH22 ARG 25 HH22 ARG 25 -7.393 9.570 7.374 179 H LYS 26 H LYS 26 -6.680 0.755 1.432 180 HA LYS 26 HA LYS 26 -4.786 -0.494 3.277 181 HB2 LYS 26 HB2 LYS 26 -7.175 -1.925 2.129 182 HB3 LYS 26 HB3 LYS 26 -5.826 -2.712 2.913 183 HG2 LYS 26 HG2 LYS 26 -7.253 -2.649 4.662 184 HG3 LYS 26 HG3 LYS 26 -6.484 -1.081 4.884 185 HD2 LYS 26 HD2 LYS 26 -8.327 -0.002 3.702 186 HD3 LYS 26 HD3 LYS 26 -9.098 -1.572 3.460 187 HE2 LYS 26 HE2 LYS 26 -10.147 -0.486 5.323 188 HE3 LYS 26 HE3 LYS 26 -9.195 -1.837 5.929 189 HZ1 LYS 26 HZ1 LYS 26 -8.890 0.118 7.266 190 HZ2 LYS 26 HZ2 LYS 26 -8.378 0.978 5.987 191 HZ3 LYS 26 HZ3 LYS 26 -7.486 -0.264 6.533 192 H CYS 27 H CYS 27 -3.165 -1.506 2.329 193 HA CYS 27 HA CYS 27 -3.009 -1.727 -0.545 194 HB2 CYS 27 HB2 CYS 27 -1.119 -2.846 1.538 195 HB3 CYS 27 HB3 CYS 27 -0.777 -2.525 -0.147 196 H THR 28 H THR 28 -3.533 -3.544 -1.651 197 HA THR 28 HA THR 28 -4.538 -5.783 -0.042 198 HB THR 28 HB THR 28 -5.855 -6.404 -2.084 199 HG1 THR 28 HG1 THR 28 -5.139 -3.807 -3.015 200 HG21 THR 28 HG21 THR 28 -6.324 -3.637 -0.970 201 HG22 THR 28 HG22 THR 28 -6.910 -5.155 -0.287 202 HG23 THR 28 HG23 THR 28 -7.514 -4.598 -1.847 Start of MODEL 9 1 H1 ARG 1 H1 ARG 1 11.240 -1.025 -1.179 2 H2 ARG 1 H2 ARG 1 10.980 -2.570 -0.749 3 H3 ARG 1 H3 ARG 1 12.130 -1.705 0.005 4 HA ARG 1 HA ARG 1 10.216 -1.921 1.409 5 HB2 ARG 1 HB2 ARG 1 11.612 0.151 1.471 6 HB3 ARG 1 HB3 ARG 1 10.509 0.870 0.311 7 HG2 ARG 1 HG2 ARG 1 8.680 0.670 1.916 8 HG3 ARG 1 HG3 ARG 1 9.798 -0.028 3.089 9 HD2 ARG 1 HD2 ARG 1 11.155 2.046 2.942 10 HD3 ARG 1 HD3 ARG 1 9.914 2.739 1.899 11 HE ARG 1 HE ARG 1 8.564 1.939 4.136 12 HH11 ARG 1 HH11 ARG 1 11.259 4.075 3.488 13 HH12 ARG 1 HH12 ARG 1 10.964 5.072 4.875 14 HH21 ARG 1 HH21 ARG 1 8.173 3.249 5.956 15 HH22 ARG 1 HH22 ARG 1 9.214 4.595 6.287 16 H CYS 2 H CYS 2 8.189 -2.569 1.216 17 HA CYS 2 HA CYS 2 6.321 -0.953 -0.302 18 HB2 CYS 2 HB2 CYS 2 5.387 -2.791 -1.574 19 HB3 CYS 2 HB3 CYS 2 7.103 -2.664 -1.933 20 H LEU 3 H LEU 3 4.191 -1.239 0.315 21 HA LEU 3 HA LEU 3 3.841 -2.245 2.997 22 HB2 LEU 3 HB2 LEU 3 1.964 -0.871 1.078 23 HB3 LEU 3 HB3 LEU 3 1.592 -1.246 2.747 24 HG LEU 3 HG LEU 3 3.799 0.611 1.854 25 HD11 LEU 3 HD11 LEU 3 1.078 1.245 2.977 26 HD12 LEU 3 HD12 LEU 3 1.608 1.523 1.319 27 HD13 LEU 3 HD13 LEU 3 2.358 2.412 2.646 28 HD21 LEU 3 HD21 LEU 3 2.664 0.023 4.581 29 HD22 LEU 3 HD22 LEU 3 3.832 1.291 4.214 30 HD23 LEU 3 HD23 LEU 3 4.274 -0.403 3.998 31 H HIS 4 H HIS 4 2.763 -4.087 3.549 32 HA HIS 4 HA HIS 4 2.017 -5.846 1.344 33 HB2 HIS 4 HB2 HIS 4 2.180 -7.672 2.844 34 HB3 HIS 4 HB3 HIS 4 3.529 -6.620 3.239 35 HD1 HIS 4 HD1 HIS 4 1.238 -8.656 4.892 36 HD2 HIS 4 HD2 HIS 4 2.481 -4.746 5.485 37 HE1 HIS 4 HE1 HIS 4 0.697 -8.133 7.290 38 HE2 HIS 4 HE2 HIS 4 1.413 -5.734 7.615 39 H ALA 5 H ALA 5 0.127 -7.464 2.243 40 HA ALA 5 HA ALA 5 -2.223 -5.999 1.854 41 HB1 ALA 5 HB1 ALA 5 -1.969 -8.779 2.990 42 HB2 ALA 5 HB2 ALA 5 -1.965 -8.377 1.274 43 HB3 ALA 5 HB3 ALA 5 -3.403 -8.070 2.247 44 H GLY 6 H GLY 6 -3.139 -4.665 3.190 45 HA2 GLY 6 HA2 GLY 6 -4.545 -4.452 5.157 46 HA3 GLY 6 HA3 GLY 6 -3.373 -5.440 6.031 47 H ALA 7 H ALA 7 -2.067 -3.076 3.907 48 HA ALA 7 HA ALA 7 -1.321 -1.440 6.255 49 HB1 ALA 7 HB1 ALA 7 0.531 -2.281 4.903 50 HB2 ALA 7 HB2 ALA 7 0.442 -0.521 4.825 51 HB3 ALA 7 HB3 ALA 7 -0.149 -1.497 3.478 52 H ALA 8 H ALA 8 -1.643 0.854 6.223 53 HA ALA 8 HA ALA 8 -3.985 1.574 4.704 54 HB1 ALA 8 HB1 ALA 8 -2.391 3.272 6.610 55 HB2 ALA 8 HB2 ALA 8 -3.765 2.252 7.044 56 HB3 ALA 8 HB3 ALA 8 -3.997 3.630 5.962 57 H CYS 9 H CYS 9 -3.985 2.461 2.787 58 HA CYS 9 HA CYS 9 -1.992 4.474 2.099 59 HB2 CYS 9 HB2 CYS 9 -1.255 3.439 0.097 60 HB3 CYS 9 HB3 CYS 9 -1.151 2.193 1.334 61 H SER 10 H SER 10 -2.590 4.982 -0.477 62 HA SER 10 HA SER 10 -4.090 5.868 -1.940 63 HB2 SER 10 HB2 SER 10 -6.273 4.449 -0.399 64 HB3 SER 10 HB3 SER 10 -6.348 5.042 -2.057 65 HG SER 10 HG SER 10 -4.517 3.068 -1.180 66 H GLY 11 H GLY 11 -3.575 6.811 0.949 67 HA2 GLY 11 HA2 GLY 11 -5.834 8.667 1.230 68 HA3 GLY 11 HA3 GLY 11 -4.630 8.322 2.463 69 HA PRO 12 HA PRO 12 -3.685 12.563 0.589 70 HB2 PRO 12 HB2 PRO 12 -2.753 12.640 3.429 71 HB3 PRO 12 HB3 PRO 12 -3.499 13.914 2.457 72 HG2 PRO 12 HG2 PRO 12 -4.917 12.581 4.274 73 HG3 PRO 12 HG3 PRO 12 -5.631 13.051 2.723 74 HD2 PRO 12 HD2 PRO 12 -4.762 10.373 3.667 75 HD3 PRO 12 HD3 PRO 12 -6.042 10.818 2.525 76 H ILE 13 H ILE 13 -1.583 13.495 0.399 77 HA ILE 13 HA ILE 13 0.147 12.248 -0.987 78 HB ILE 13 HB ILE 13 0.617 14.498 -0.396 79 HG12 ILE 13 HG12 ILE 13 2.952 12.712 0.325 80 HG13 ILE 13 HG13 ILE 13 2.492 13.222 -1.294 81 HG21 ILE 13 HG21 ILE 13 0.020 14.456 1.940 82 HG22 ILE 13 HG22 ILE 13 1.636 15.134 1.743 83 HG23 ILE 13 HG23 ILE 13 1.438 13.477 2.313 84 HD11 ILE 13 HD11 ILE 13 2.998 15.535 -0.713 85 HD12 ILE 13 HD12 ILE 13 4.394 14.484 -0.473 86 HD13 ILE 13 HD13 ILE 13 3.449 15.026 0.914 87 H GLN 14 H GLN 14 0.354 10.097 -0.798 88 HA GLN 14 HA GLN 14 2.114 9.126 1.345 89 HB2 GLN 14 HB2 GLN 14 -0.020 8.225 1.880 90 HB3 GLN 14 HB3 GLN 14 -0.362 7.842 0.201 91 HG2 GLN 14 HG2 GLN 14 2.011 6.473 1.087 92 HG3 GLN 14 HG3 GLN 14 0.656 6.135 2.157 93 HE21 GLN 14 HE21 GLN 14 2.041 4.379 0.251 94 HE22 GLN 14 HE22 GLN 14 0.835 3.792 -0.851 95 H LYS 15 H LYS 15 3.958 9.311 -0.012 96 HA LYS 15 HA LYS 15 3.929 7.427 -2.245 97 HB2 LYS 15 HB2 LYS 15 5.989 9.382 -1.243 98 HB3 LYS 15 HB3 LYS 15 6.378 8.158 -2.442 99 HG2 LYS 15 HG2 LYS 15 4.611 9.078 -3.899 100 HG3 LYS 15 HG3 LYS 15 4.332 10.348 -2.707 101 HD2 LYS 15 HD2 LYS 15 6.975 9.835 -4.068 102 HD3 LYS 15 HD3 LYS 15 5.799 11.037 -4.601 103 HE2 LYS 15 HE2 LYS 15 7.161 10.964 -1.910 104 HE3 LYS 15 HE3 LYS 15 7.566 12.046 -3.241 105 HZ1 LYS 15 HZ1 LYS 15 6.170 13.168 -1.711 106 HZ2 LYS 15 HZ2 LYS 15 5.048 11.996 -1.747 107 HZ3 LYS 15 HZ3 LYS 15 5.300 12.912 -3.065 108 H ILE 16 H ILE 16 3.866 5.493 -1.495 109 HA ILE 16 HA ILE 16 6.227 4.194 -0.615 110 HB ILE 16 HB ILE 16 3.823 3.858 1.204 111 HG12 ILE 16 HG12 ILE 16 6.441 5.249 1.775 112 HG13 ILE 16 HG13 ILE 16 4.835 5.962 1.812 113 HG21 ILE 16 HG21 ILE 16 5.199 1.852 0.777 114 HG22 ILE 16 HG22 ILE 16 5.256 2.363 2.466 115 HG23 ILE 16 HG23 ILE 16 6.611 2.714 1.392 116 HD11 ILE 16 HD11 ILE 16 5.664 5.558 4.051 117 HD12 ILE 16 HD12 ILE 16 5.864 3.846 3.679 118 HD13 ILE 16 HD13 ILE 16 4.251 4.557 3.715 119 HA PRO 17 HA PRO 17 3.355 2.124 -3.414 120 HB2 PRO 17 HB2 PRO 17 5.171 0.473 -4.611 121 HB3 PRO 17 HB3 PRO 17 4.937 2.158 -5.085 122 HG2 PRO 17 HG2 PRO 17 7.067 0.941 -3.388 123 HG3 PRO 17 HG3 PRO 17 7.187 2.252 -4.575 124 HD2 PRO 17 HD2 PRO 17 7.097 2.643 -1.864 125 HD3 PRO 17 HD3 PRO 17 6.555 3.842 -3.053 126 H CYS 18 H CYS 18 2.083 0.530 -2.696 127 HA CYS 18 HA CYS 18 3.112 -1.399 -0.825 128 HB2 CYS 18 HB2 CYS 18 0.400 -1.577 -2.093 129 HB3 CYS 18 HB3 CYS 18 0.921 -2.099 -0.501 130 H CYS 19 H CYS 19 3.455 -3.582 -1.230 131 HA CYS 19 HA CYS 19 3.440 -4.362 -4.024 132 HB2 CYS 19 HB2 CYS 19 3.918 -6.653 -2.652 133 HB3 CYS 19 HB3 CYS 19 5.148 -5.488 -3.085 134 H GLY 20 H GLY 20 1.297 -3.957 -4.366 135 HA2 GLY 20 HA2 GLY 20 -0.628 -5.890 -4.064 136 HA3 GLY 20 HA3 GLY 20 -0.718 -4.870 -2.630 137 H THR 21 H THR 21 -2.936 -4.742 -4.013 138 HA THR 21 HA THR 21 -2.763 -2.352 -5.703 139 HB THR 21 HB THR 21 -5.256 -3.877 -4.940 140 HG1 THR 21 HG1 THR 21 -3.660 -5.227 -6.024 141 HG21 THR 21 HG21 THR 21 -4.610 -2.064 -7.265 142 HG22 THR 21 HG22 THR 21 -5.607 -1.645 -5.872 143 HG23 THR 21 HG23 THR 21 -6.145 -2.889 -7.001 144 H CYS 22 H CYS 22 -3.302 -0.337 -4.900 145 HA CYS 22 HA CYS 22 -3.865 -0.111 -2.091 146 HB2 CYS 22 HB2 CYS 22 -2.946 1.643 -4.246 147 HB3 CYS 22 HB3 CYS 22 -4.040 2.432 -3.119 148 H SER 23 H SER 23 -5.844 -0.179 -1.264 149 HA SER 23 HA SER 23 -8.098 0.963 -2.727 150 HB2 SER 23 HB2 SER 23 -7.845 -1.455 -3.410 151 HB3 SER 23 HB3 SER 23 -8.123 -1.896 -1.730 152 HG SER 23 HG SER 23 -9.906 -0.680 -3.553 153 H ARG 24 H ARG 24 -9.087 2.240 -1.281 154 HA ARG 24 HA ARG 24 -10.289 2.893 0.549 155 HB2 ARG 24 HB2 ARG 24 -10.295 -0.021 1.324 156 HB3 ARG 24 HB3 ARG 24 -11.417 1.215 1.861 157 HG2 ARG 24 HG2 ARG 24 -12.297 1.404 -0.399 158 HG3 ARG 24 HG3 ARG 24 -11.160 0.168 -0.945 159 HD2 ARG 24 HD2 ARG 24 -12.154 -1.423 0.644 160 HD3 ARG 24 HD3 ARG 24 -13.316 -0.187 1.130 161 HE ARG 24 HE ARG 24 -13.324 -0.709 -1.692 162 HH11 ARG 24 HH11 ARG 24 -14.603 -1.730 1.399 163 HH12 ARG 24 HH12 ARG 24 -16.030 -2.436 0.717 164 HH21 ARG 24 HH21 ARG 24 -15.190 -1.658 -2.596 165 HH22 ARG 24 HH22 ARG 24 -16.356 -2.414 -1.558 166 H ARG 25 H ARG 25 -7.571 3.288 0.975 167 HA ARG 25 HA ARG 25 -6.015 3.585 2.596 168 HB2 ARG 25 HB2 ARG 25 -8.489 3.208 4.222 169 HB3 ARG 25 HB3 ARG 25 -6.932 3.203 5.041 170 HG2 ARG 25 HG2 ARG 25 -6.439 5.398 4.264 171 HG3 ARG 25 HG3 ARG 25 -7.872 5.409 3.232 172 HD2 ARG 25 HD2 ARG 25 -8.285 6.689 5.237 173 HD3 ARG 25 HD3 ARG 25 -9.289 5.243 5.232 174 HE ARG 25 HE ARG 25 -7.654 4.272 6.804 175 HH11 ARG 25 HH11 ARG 25 -7.806 7.750 6.443 176 HH12 ARG 25 HH12 ARG 25 -7.166 8.066 8.022 177 HH21 ARG 25 HH21 ARG 25 -6.814 4.686 8.888 178 HH22 ARG 25 HH22 ARG 25 -6.606 6.327 9.417 179 H LYS 26 H LYS 26 -6.492 0.942 1.393 180 HA LYS 26 HA LYS 26 -4.905 -0.549 3.344 181 HB2 LYS 26 HB2 LYS 26 -6.892 -2.105 1.768 182 HB3 LYS 26 HB3 LYS 26 -6.198 -2.429 3.347 183 HG2 LYS 26 HG2 LYS 26 -7.690 -0.940 4.417 184 HG3 LYS 26 HG3 LYS 26 -8.218 -0.257 2.877 185 HD2 LYS 26 HD2 LYS 26 -9.967 -1.693 3.426 186 HD3 LYS 26 HD3 LYS 26 -8.976 -2.668 2.339 187 HE2 LYS 26 HE2 LYS 26 -7.860 -3.655 4.331 188 HE3 LYS 26 HE3 LYS 26 -9.007 -2.787 5.349 189 HZ1 LYS 26 HZ1 LYS 26 -9.773 -4.988 4.994 190 HZ2 LYS 26 HZ2 LYS 26 -9.652 -4.859 3.380 191 HZ3 LYS 26 HZ3 LYS 26 -10.769 -3.990 4.178 192 H CYS 27 H CYS 27 -3.173 -1.437 2.415 193 HA CYS 27 HA CYS 27 -2.974 -1.685 -0.461 194 HB2 CYS 27 HB2 CYS 27 -1.071 -2.662 1.681 195 HB3 CYS 27 HB3 CYS 27 -0.727 -2.459 -0.022 196 H THR 28 H THR 28 -3.603 -3.475 -1.502 197 HA THR 28 HA THR 28 -4.305 -5.810 0.150 198 HB THR 28 HB THR 28 -6.038 -6.344 -1.450 199 HG1 THR 28 HG1 THR 28 -4.667 -5.279 -3.223 200 HG21 THR 28 HG21 THR 28 -6.643 -4.708 0.264 201 HG22 THR 28 HG22 THR 28 -7.495 -4.374 -1.245 202 HG23 THR 28 HG23 THR 28 -6.103 -3.396 -0.785 Start of MODEL 10 1 H1 ARG 1 H1 ARG 1 11.193 -2.114 -1.220 2 H2 ARG 1 H2 ARG 1 12.289 -1.335 -0.311 3 H3 ARG 1 H3 ARG 1 11.288 -0.492 -1.273 4 HA ARG 1 HA ARG 1 10.458 -2.092 1.022 5 HB2 ARG 1 HB2 ARG 1 11.633 -0.108 1.765 6 HB3 ARG 1 HB3 ARG 1 10.705 0.902 0.668 7 HG2 ARG 1 HG2 ARG 1 8.665 0.350 1.932 8 HG3 ARG 1 HG3 ARG 1 9.645 -0.593 3.056 9 HD2 ARG 1 HD2 ARG 1 10.875 1.389 3.697 10 HD3 ARG 1 HD3 ARG 1 10.006 2.350 2.500 11 HE ARG 1 HE ARG 1 8.159 1.130 4.235 12 HH11 ARG 1 HH11 ARG 1 10.598 3.642 4.264 13 HH12 ARG 1 HH12 ARG 1 9.799 4.571 5.496 14 HH21 ARG 1 HH21 ARG 1 7.107 2.351 5.840 15 HH22 ARG 1 HH22 ARG 1 7.807 3.848 6.374 16 H CYS 2 H CYS 2 8.333 -2.541 1.093 17 HA CYS 2 HA CYS 2 6.447 -0.837 -0.296 18 HB2 CYS 2 HB2 CYS 2 5.500 -2.490 -1.708 19 HB3 CYS 2 HB3 CYS 2 7.234 -2.587 -1.967 20 H LEU 3 H LEU 3 4.266 -1.269 0.281 21 HA LEU 3 HA LEU 3 4.017 -2.209 3.004 22 HB2 LEU 3 HB2 LEU 3 2.074 -0.910 1.096 23 HB3 LEU 3 HB3 LEU 3 1.698 -1.316 2.759 24 HG LEU 3 HG LEU 3 3.879 0.606 1.941 25 HD11 LEU 3 HD11 LEU 3 1.700 1.471 1.283 26 HD12 LEU 3 HD12 LEU 3 2.353 2.376 2.648 27 HD13 LEU 3 HD13 LEU 3 1.085 1.180 2.910 28 HD21 LEU 3 HD21 LEU 3 4.237 -0.415 4.115 29 HD22 LEU 3 HD22 LEU 3 2.599 0.020 4.605 30 HD23 LEU 3 HD23 LEU 3 3.792 1.282 4.292 31 H HIS 4 H HIS 4 2.857 -3.979 3.655 32 HA HIS 4 HA HIS 4 2.263 -5.925 1.578 33 HB2 HIS 4 HB2 HIS 4 2.332 -7.580 3.238 34 HB3 HIS 4 HB3 HIS 4 3.542 -6.427 3.768 35 HD1 HIS 4 HD1 HIS 4 1.127 -8.487 5.170 36 HD2 HIS 4 HD2 HIS 4 2.008 -4.461 5.659 37 HE1 HIS 4 HE1 HIS 4 0.161 -7.853 7.401 38 HE2 HIS 4 HE2 HIS 4 0.620 -5.388 7.635 39 H ALA 5 H ALA 5 0.249 -7.400 2.275 40 HA ALA 5 HA ALA 5 -2.054 -5.906 1.744 41 HB1 ALA 5 HB1 ALA 5 -3.286 -7.959 2.152 42 HB2 ALA 5 HB2 ALA 5 -1.875 -8.672 2.934 43 HB3 ALA 5 HB3 ALA 5 -1.832 -8.293 1.213 44 H GLY 6 H GLY 6 -3.221 -4.692 2.974 45 HA2 GLY 6 HA2 GLY 6 -4.645 -4.365 4.864 46 HA3 GLY 6 HA3 GLY 6 -3.550 -5.367 5.819 47 H ALA 7 H ALA 7 -2.087 -3.032 3.754 48 HA ALA 7 HA ALA 7 -1.377 -1.460 6.157 49 HB1 ALA 7 HB1 ALA 7 0.489 -0.608 4.820 50 HB2 ALA 7 HB2 ALA 7 -0.080 -1.546 3.440 51 HB3 ALA 7 HB3 ALA 7 0.491 -2.371 4.890 52 H ALA 8 H ALA 8 -1.997 0.665 6.369 53 HA ALA 8 HA ALA 8 -4.112 1.592 4.759 54 HB1 ALA 8 HB1 ALA 8 -2.416 3.204 6.656 55 HB2 ALA 8 HB2 ALA 8 -3.839 2.262 7.098 56 HB3 ALA 8 HB3 ALA 8 -4.001 3.653 6.021 57 H CYS 9 H CYS 9 -4.103 2.509 2.848 58 HA CYS 9 HA CYS 9 -2.049 4.450 2.155 59 HB2 CYS 9 HB2 CYS 9 -1.298 3.389 0.169 60 HB3 CYS 9 HB3 CYS 9 -1.226 2.157 1.423 61 H SER 10 H SER 10 -2.600 4.917 -0.458 62 HA SER 10 HA SER 10 -4.075 5.756 -1.979 63 HB2 SER 10 HB2 SER 10 -6.308 4.479 -0.391 64 HB3 SER 10 HB3 SER 10 -6.338 4.970 -2.086 65 HG SER 10 HG SER 10 -4.397 3.136 -1.267 66 H GLY 11 H GLY 11 -3.606 6.807 0.917 67 HA2 GLY 11 HA2 GLY 11 -5.825 8.717 1.060 68 HA3 GLY 11 HA3 GLY 11 -4.633 8.426 2.319 69 HA PRO 12 HA PRO 12 -3.566 12.459 0.132 70 HB2 PRO 12 HB2 PRO 12 -2.945 12.953 3.006 71 HB3 PRO 12 HB3 PRO 12 -3.650 14.053 1.816 72 HG2 PRO 12 HG2 PRO 12 -5.192 12.965 3.633 73 HG3 PRO 12 HG3 PRO 12 -5.741 12.986 1.944 74 HD2 PRO 12 HD2 PRO 12 -4.511 10.732 3.501 75 HD3 PRO 12 HD3 PRO 12 -5.914 10.719 2.426 76 H ILE 13 H ILE 13 -1.384 13.552 0.293 77 HA ILE 13 HA ILE 13 0.436 12.296 -0.936 78 HB ILE 13 HB ILE 13 0.937 14.490 -0.173 79 HG12 ILE 13 HG12 ILE 13 3.067 12.481 0.576 80 HG13 ILE 13 HG13 ILE 13 2.846 13.277 -0.976 81 HG21 ILE 13 HG21 ILE 13 1.409 13.278 2.541 82 HG22 ILE 13 HG22 ILE 13 0.103 14.370 2.083 83 HG23 ILE 13 HG23 ILE 13 1.770 14.946 2.097 84 HD11 ILE 13 HD11 ILE 13 3.654 14.621 1.591 85 HD12 ILE 13 HD12 ILE 13 3.440 15.412 0.029 86 HD13 ILE 13 HD13 ILE 13 4.717 14.216 0.243 87 H GLN 14 H GLN 14 0.417 10.105 -0.778 88 HA GLN 14 HA GLN 14 1.980 8.985 1.447 89 HB2 GLN 14 HB2 GLN 14 -0.266 8.193 1.739 90 HB3 GLN 14 HB3 GLN 14 -0.411 7.801 0.032 91 HG2 GLN 14 HG2 GLN 14 1.817 6.403 1.183 92 HG3 GLN 14 HG3 GLN 14 0.360 6.106 2.116 93 HE21 GLN 14 HE21 GLN 14 1.903 4.306 0.394 94 HE22 GLN 14 HE22 GLN 14 0.810 3.714 -0.816 95 H LYS 15 H LYS 15 3.886 9.247 0.165 96 HA LYS 15 HA LYS 15 3.950 7.468 -2.145 97 HB2 LYS 15 HB2 LYS 15 6.341 8.313 -2.341 98 HB3 LYS 15 HB3 LYS 15 5.072 9.498 -2.603 99 HG2 LYS 15 HG2 LYS 15 5.377 10.264 -0.261 100 HG3 LYS 15 HG3 LYS 15 6.750 9.167 -0.129 101 HD2 LYS 15 HD2 LYS 15 6.509 11.372 -2.173 102 HD3 LYS 15 HD3 LYS 15 7.387 11.512 -0.651 103 HE2 LYS 15 HE2 LYS 15 7.978 9.521 -2.842 104 HE3 LYS 15 HE3 LYS 15 8.875 11.008 -2.542 105 HZ1 LYS 15 HZ1 LYS 15 9.373 10.105 -0.332 106 HZ2 LYS 15 HZ2 LYS 15 10.008 9.217 -1.534 107 HZ3 LYS 15 HZ3 LYS 15 8.681 8.692 -0.757 108 H ILE 16 H ILE 16 3.897 5.515 -1.436 109 HA ILE 16 HA ILE 16 6.263 4.204 -0.616 110 HB ILE 16 HB ILE 16 3.901 3.876 1.269 111 HG12 ILE 16 HG12 ILE 16 6.568 5.201 1.750 112 HG13 ILE 16 HG13 ILE 16 4.971 5.910 1.931 113 HG21 ILE 16 HG21 ILE 16 6.645 2.618 1.291 114 HG22 ILE 16 HG22 ILE 16 5.150 1.830 0.791 115 HG23 ILE 16 HG23 ILE 16 5.363 2.331 2.469 116 HD11 ILE 16 HD11 ILE 16 4.527 4.415 3.811 117 HD12 ILE 16 HD12 ILE 16 5.944 5.427 4.086 118 HD13 ILE 16 HD13 ILE 16 6.143 3.734 3.637 119 HA PRO 17 HA PRO 17 3.341 2.127 -3.388 120 HB2 PRO 17 HB2 PRO 17 5.154 0.518 -4.641 121 HB3 PRO 17 HB3 PRO 17 4.896 2.210 -5.084 122 HG2 PRO 17 HG2 PRO 17 7.057 0.990 -3.421 123 HG3 PRO 17 HG3 PRO 17 7.161 2.299 -4.611 124 HD2 PRO 17 HD2 PRO 17 7.109 2.712 -1.912 125 HD3 PRO 17 HD3 PRO 17 6.512 3.893 -3.092 126 H CYS 18 H CYS 18 2.106 0.477 -2.708 127 HA CYS 18 HA CYS 18 3.167 -1.437 -0.831 128 HB2 CYS 18 HB2 CYS 18 0.458 -1.640 -2.094 129 HB3 CYS 18 HB3 CYS 18 0.980 -2.160 -0.501 130 H CYS 19 H CYS 19 3.411 -3.671 -1.186 131 HA CYS 19 HA CYS 19 3.327 -4.518 -3.973 132 HB2 CYS 19 HB2 CYS 19 3.925 -6.010 -1.398 133 HB3 CYS 19 HB3 CYS 19 3.930 -6.768 -2.984 134 H GLY 20 H GLY 20 1.167 -3.951 -4.247 135 HA2 GLY 20 HA2 GLY 20 -0.793 -5.875 -4.018 136 HA3 GLY 20 HA3 GLY 20 -0.939 -4.863 -2.582 137 H THR 21 H THR 21 -3.077 -4.758 -4.078 138 HA THR 21 HA THR 21 -2.861 -2.349 -5.729 139 HB THR 21 HB THR 21 -5.395 -3.815 -5.013 140 HG1 THR 21 HG1 THR 21 -3.640 -4.359 -7.205 141 HG21 THR 21 HG21 THR 21 -4.600 -2.154 -7.403 142 HG22 THR 21 HG22 THR 21 -5.633 -1.626 -6.075 143 HG23 THR 21 HG23 THR 21 -6.171 -2.915 -7.153 144 H CYS 22 H CYS 22 -3.224 -0.355 -4.833 145 HA CYS 22 HA CYS 22 -3.897 -0.154 -2.067 146 HB2 CYS 22 HB2 CYS 22 -2.944 1.614 -4.191 147 HB3 CYS 22 HB3 CYS 22 -4.049 2.397 -3.074 148 H SER 23 H SER 23 -5.876 -0.140 -1.231 149 HA SER 23 HA SER 23 -8.069 1.143 -2.662 150 HB2 SER 23 HB2 SER 23 -7.892 -1.380 -3.284 151 HB3 SER 23 HB3 SER 23 -8.444 -1.668 -1.639 152 HG SER 23 HG SER 23 -9.797 -0.258 -3.694 153 H ARG 24 H ARG 24 -9.252 2.283 -1.187 154 HA ARG 24 HA ARG 24 -10.370 2.846 0.731 155 HB2 ARG 24 HB2 ARG 24 -10.202 -0.123 1.250 156 HB3 ARG 24 HB3 ARG 24 -11.257 0.997 2.091 157 HG2 ARG 24 HG2 ARG 24 -12.479 1.424 0.046 158 HG3 ARG 24 HG3 ARG 24 -11.381 0.365 -0.847 159 HD2 ARG 24 HD2 ARG 24 -12.071 -1.538 0.442 160 HD3 ARG 24 HD3 ARG 24 -13.034 -0.520 1.509 161 HE ARG 24 HE ARG 24 -13.990 -0.139 -1.073 162 HH11 ARG 24 HH11 ARG 24 -13.718 -2.760 1.226 163 HH12 ARG 24 HH12 ARG 24 -15.173 -3.544 0.701 164 HH21 ARG 24 HH21 ARG 24 -15.904 -1.176 -1.778 165 HH22 ARG 24 HH22 ARG 24 -16.416 -2.641 -1.008 166 H ARG 25 H ARG 25 -7.578 3.223 1.008 167 HA ARG 25 HA ARG 25 -5.935 3.476 2.528 168 HB2 ARG 25 HB2 ARG 25 -8.368 3.436 4.233 169 HB3 ARG 25 HB3 ARG 25 -6.801 3.338 5.027 170 HG2 ARG 25 HG2 ARG 25 -6.105 5.394 3.930 171 HG3 ARG 25 HG3 ARG 25 -7.672 5.498 3.123 172 HD2 ARG 25 HD2 ARG 25 -7.216 5.541 6.102 173 HD3 ARG 25 HD3 ARG 25 -7.544 6.948 5.094 174 HE ARG 25 HE ARG 25 -9.553 4.897 4.914 175 HH11 ARG 25 HH11 ARG 25 -8.463 7.728 6.651 176 HH12 ARG 25 HH12 ARG 25 -10.033 8.098 7.293 177 HH21 ARG 25 HH21 ARG 25 -11.624 5.378 5.745 178 HH22 ARG 25 HH22 ARG 25 -11.835 6.757 6.779 179 H LYS 26 H LYS 26 -6.450 0.821 1.520 180 HA LYS 26 HA LYS 26 -4.614 -0.423 3.357 181 HB2 LYS 26 HB2 LYS 26 -5.886 -2.577 3.319 182 HB3 LYS 26 HB3 LYS 26 -6.599 -1.293 4.270 183 HG2 LYS 26 HG2 LYS 26 -8.140 -0.808 2.399 184 HG3 LYS 26 HG3 LYS 26 -7.469 -2.187 1.535 185 HD2 LYS 26 HD2 LYS 26 -8.820 -2.344 4.226 186 HD3 LYS 26 HD3 LYS 26 -9.615 -2.674 2.683 187 HE2 LYS 26 HE2 LYS 26 -7.926 -4.447 2.265 188 HE3 LYS 26 HE3 LYS 26 -7.277 -4.160 3.878 189 HZ1 LYS 26 HZ1 LYS 26 -10.003 -5.058 3.273 190 HZ2 LYS 26 HZ2 LYS 26 -9.421 -4.780 4.766 191 HZ3 LYS 26 HZ3 LYS 26 -8.808 -5.989 3.869 192 H CYS 27 H CYS 27 -3.057 -1.334 2.325 193 HA CYS 27 HA CYS 27 -3.050 -1.662 -0.516 194 HB2 CYS 27 HB2 CYS 27 -1.075 -2.783 1.485 195 HB3 CYS 27 HB3 CYS 27 -0.802 -2.460 -0.213 196 H THR 28 H THR 28 -3.548 -3.488 -1.623 197 HA THR 28 HA THR 28 -4.357 -5.798 0.010 198 HB THR 28 HB THR 28 -6.156 -6.247 -1.611 199 HG1 THR 28 HG1 THR 28 -5.349 -3.783 -2.807 200 HG21 THR 28 HG21 THR 28 -7.595 -4.287 -1.111 201 HG22 THR 28 HG22 THR 28 -6.174 -3.439 -0.505 202 HG23 THR 28 HG23 THR 28 -6.741 -4.900 0.307
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