NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
647297 | 6o8j | 30586 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ALA 1 HT1 ALA 1 42.824 2.411 -8.741 2 H2 ALA 1 HT2 ALA 1 43.446 2.802 -7.209 3 H3 ALA 1 HT3 ALA 1 44.415 1.984 -8.341 4 HA ALA 1 HA ALA 1 45.237 3.972 -8.763 5 HB1 ALA 1 HB1 ALA 1 42.568 4.459 -10.115 6 HB2 ALA 1 HB2 ALA 1 43.751 3.275 -10.726 7 HB3 ALA 1 HB3 ALA 1 44.184 4.999 -10.629 8 H GLY 2 HN GLY 2 45.304 6.227 -8.391 9 HA2 GLY 2 HA1 GLY 2 43.681 7.051 -6.069 10 HA3 GLY 2 HA2 GLY 2 44.993 7.974 -6.847 11 H LYS 3 HN LYS 3 42.092 6.469 -8.176 12 HA LYS 3 HA LYS 3 41.228 9.174 -9.010 13 HB2 LYS 3 HB2 LYS 3 40.264 6.399 -9.813 14 HB3 LYS 3 HB1 LYS 3 39.406 7.887 -10.280 15 HG2 LYS 3 HG2 LYS 3 41.355 8.706 -11.487 16 HG3 LYS 3 HG1 LYS 3 42.341 7.345 -10.900 17 HD2 LYS 3 HD2 LYS 3 40.719 5.778 -12.058 18 HD3 LYS 3 HD1 LYS 3 39.947 7.210 -12.781 19 HE2 LYS 3 HE2 LYS 3 42.768 6.169 -13.202 20 HE3 LYS 3 HE1 LYS 3 41.514 6.502 -14.421 21 HZ1 LYS 3 HZ1 LYS 3 43.021 8.481 -12.790 22 HZ2 LYS 3 HZ2 LYS 3 41.669 8.881 -13.737 23 HZ3 LYS 3 HZ3 LYS 3 43.075 8.275 -14.472 24 H GLU 4 HN GLU 4 40.868 6.736 -6.812 25 HA GLU 4 HA GLU 4 38.296 7.714 -5.752 26 HB2 GLU 4 HB2 GLU 4 40.439 6.360 -4.046 27 HB3 GLU 4 HB1 GLU 4 38.660 6.177 -3.991 28 HG2 GLU 4 HG2 GLU 4 40.501 5.071 -6.157 29 HG3 GLU 4 HG1 GLU 4 39.670 4.129 -4.897 30 H THR 5 HN THR 5 41.504 8.641 -6.357 31 HA THR 5 HA THR 5 43.010 9.825 -4.936 32 HB THR 5 HB THR 5 40.982 12.079 -5.334 33 HG1 THR 5 HG1 THR 5 40.877 11.598 -7.352 34 HG21 THR 5 HG21 THR 5 42.952 13.386 -5.860 35 HG22 THR 5 HG22 THR 5 43.970 11.926 -5.906 36 HG23 THR 5 HG23 THR 5 43.282 12.485 -4.362 37 H ILE 6 HN ILE 6 42.695 8.731 -3.266 38 HA ILE 6 HA ILE 6 42.896 9.679 -0.819 39 HB ILE 6 HB ILE 6 39.956 9.782 -1.564 40 HG12 ILE 6 HG12 ILE 6 41.545 11.750 -0.829 41 HG13 ILE 6 HG11 ILE 6 39.897 11.691 -0.177 42 HG21 ILE 6 HG21 ILE 6 40.893 8.627 1.095 43 HG22 ILE 6 HG22 ILE 6 39.812 7.876 -0.102 44 HG23 ILE 6 HG23 ILE 6 39.270 9.295 0.816 45 HD11 ILE 6 HD1 ILE 6 40.677 10.839 1.938 46 HD12 ILE 6 HD2 ILE 6 41.755 12.185 1.509 47 HD13 ILE 6 HD3 ILE 6 42.298 10.509 1.286 48 H ARG 7 HN ARG 7 42.468 7.688 -3.347 49 HA ARG 7 HA ARG 7 41.595 5.143 -2.264 50 HB2 ARG 7 HB2 ARG 7 42.435 5.613 -4.683 51 HB3 ARG 7 HB1 ARG 7 44.073 5.451 -4.030 52 HG2 ARG 7 HG2 ARG 7 42.962 3.162 -3.000 53 HG3 ARG 7 HG1 ARG 7 41.961 3.340 -4.458 54 HD2 ARG 7 HD2 ARG 7 43.824 2.006 -5.126 55 HD3 ARG 7 HD1 ARG 7 44.180 3.637 -5.743 56 HE ARG 7 HE ARG 7 45.279 3.135 -3.072 57 HH11 ARG 7 HH11 ARG 7 47.090 1.398 -3.579 58 HH12 ARG 7 HH12 ARG 7 48.212 1.985 -4.760 59 HH21 ARG 7 HH21 ARG 7 46.136 4.539 -5.853 60 HH22 ARG 7 HH22 ARG 7 47.672 3.762 -6.049 61 H GLN 8 HN GLN 8 44.300 7.087 -1.868 62 HA GLN 8 HA GLN 8 45.393 6.841 0.436 63 HB2 GLN 8 HB2 GLN 8 45.889 4.121 -0.842 64 HB3 GLN 8 HB1 GLN 8 47.156 4.837 0.168 65 HG2 GLN 8 HG2 GLN 8 45.822 4.835 2.117 66 HG3 GLN 8 HG1 GLN 8 44.305 4.676 1.211 67 HE21 GLN 8 HE21 GLN 8 44.950 2.521 -0.543 68 HE22 GLN 8 HE22 GLN 8 45.242 1.079 0.434 69 H TYR 9 HN TYR 9 45.346 7.157 -2.729 70 HA TYR 9 HA TYR 9 48.152 7.581 -3.360 71 HB2 TYR 9 HB2 TYR 9 46.282 7.145 -5.040 72 HB3 TYR 9 HB1 TYR 9 45.728 8.809 -4.734 73 HD1 TYR 9 HD1 TYR 9 47.145 10.750 -5.347 74 HD2 TYR 9 HD2 TYR 9 48.345 6.706 -6.259 75 HE1 TYR 9 HE1 TYR 9 48.862 11.616 -6.932 76 HE2 TYR 9 HE2 TYR 9 50.060 7.571 -7.845 77 HH TYR 9 HH TYR 9 50.309 10.311 -9.130 78 H LEU 10 HN LEU 10 45.579 9.300 -1.763 79 HA LEU 10 HA LEU 10 46.793 11.966 -2.073 80 HB2 LEU 10 HB2 LEU 10 44.384 11.655 -1.536 81 HB3 LEU 10 HB1 LEU 10 44.825 10.890 0.004 82 HG LEU 10 HG LEU 10 46.110 13.570 -0.424 83 HD11 LEU 10 HD11 LEU 10 43.089 13.376 -0.051 84 HD12 LEU 10 HD12 LEU 10 43.924 14.025 -1.481 85 HD13 LEU 10 HD13 LEU 10 44.061 14.860 0.085 86 HD21 LEU 10 HD21 LEU 10 44.342 12.615 1.869 87 HD22 LEU 10 HD22 LEU 10 45.617 13.858 1.904 88 HD23 LEU 10 HD23 LEU 10 46.050 12.142 1.723 89 H LYS 11 HN LYS 11 47.529 9.136 -0.633 90 HA LYS 11 HA LYS 11 49.470 10.334 1.344 91 HB2 LYS 11 HB2 LYS 11 47.937 7.720 1.541 92 HB3 LYS 11 HB1 LYS 11 49.097 8.369 2.723 93 HG2 LYS 11 HG2 LYS 11 47.618 10.197 3.291 94 HG3 LYS 11 HG1 LYS 11 46.550 9.835 1.919 95 HD2 LYS 11 HD2 LYS 11 45.626 9.019 4.097 96 HD3 LYS 11 HD1 LYS 11 45.894 7.706 2.927 97 HE2 LYS 11 HE2 LYS 11 47.814 6.916 4.069 98 HE3 LYS 11 HE1 LYS 11 48.030 8.444 4.959 99 HZ1 LYS 11 HZ1 LYS 11 46.686 7.728 6.553 100 HZ2 LYS 11 HZ2 LYS 11 46.696 6.195 5.824 101 HZ3 LYS 11 HZ3 LYS 11 45.466 7.306 5.454 102 H ASN 12 HN ASN 12 48.993 8.779 -1.552 103 HA ASN 12 HA ASN 12 50.418 7.363 -2.743 104 HB2 ASN 12 HB2 ASN 12 51.865 9.327 -2.451 105 HB3 ASN 12 HB1 ASN 12 52.502 8.601 -0.960 106 HD21 ASN 12 HD21 ASN 12 54.681 8.333 -1.794 107 HD22 ASN 12 HD22 ASN 12 55.034 7.170 -3.076 108 H GLU 13 HN GLU 13 49.401 6.675 0.166 109 HA GLU 13 HA GLU 13 49.412 4.713 1.435 110 HB2 GLU 13 HB2 GLU 13 50.026 3.648 -0.902 111 HB3 GLU 13 HB1 GLU 13 51.665 3.537 -0.224 112 HG2 GLU 13 HG2 GLU 13 50.790 2.273 1.716 113 HG3 GLU 13 HG1 GLU 13 49.143 2.383 1.048 114 H ILE 14 HN ILE 14 51.786 6.847 0.882 115 HA ILE 14 HA ILE 14 53.442 6.231 3.282 116 HB ILE 14 HB ILE 14 55.118 7.453 1.385 117 HG12 ILE 14 HG12 ILE 14 53.680 5.045 0.251 118 HG13 ILE 14 HG11 ILE 14 53.682 6.703 -0.385 119 HG21 ILE 14 HG21 ILE 14 56.579 5.617 1.748 120 HG22 ILE 14 HG22 ILE 14 55.232 4.505 2.083 121 HG23 ILE 14 HG23 ILE 14 55.675 5.749 3.267 122 HD11 ILE 14 HD1 ILE 14 56.266 6.451 -0.510 123 HD12 ILE 14 HD2 ILE 14 55.288 5.594 -1.726 124 HD13 ILE 14 HD3 ILE 14 55.957 4.706 -0.337 125 H LYS 15 HN LYS 15 51.601 8.676 1.585 126 HA LYS 15 HA LYS 15 51.635 10.910 2.215 127 HB2 LYS 15 HB2 LYS 15 52.697 9.864 4.855 128 HB3 LYS 15 HB1 LYS 15 52.064 11.484 4.577 129 HG2 LYS 15 HG2 LYS 15 49.899 10.360 3.836 130 HG3 LYS 15 HG1 LYS 15 50.576 8.846 4.477 131 HD2 LYS 15 HD2 LYS 15 50.463 11.345 6.219 132 HD3 LYS 15 HD1 LYS 15 49.038 10.304 6.034 133 HE2 LYS 15 HE2 LYS 15 50.239 8.380 6.899 134 HE3 LYS 15 HE1 LYS 15 51.773 9.277 6.909 135 HZ1 LYS 15 HZ1 LYS 15 50.888 10.768 8.553 136 HZ2 LYS 15 HZ2 LYS 15 50.705 9.172 9.105 137 HZ3 LYS 15 HZ3 LYS 15 49.367 10.021 8.493 138 H LYS 16 HN LYS 16 53.408 9.248 0.813 139 HA LYS 16 HA LYS 16 55.568 9.205 -0.036 140 HB2 LYS 16 HB2 LYS 16 55.226 12.109 0.786 141 HB3 LYS 16 HB1 LYS 16 56.655 11.506 -0.106 142 HG2 LYS 16 HG2 LYS 16 53.870 10.828 -1.142 143 HG3 LYS 16 HG1 LYS 16 54.513 12.442 -1.462 144 HD2 LYS 16 HD2 LYS 16 56.600 11.295 -2.432 145 HD3 LYS 16 HD1 LYS 16 55.704 9.766 -2.305 146 HE2 LYS 16 HE2 LYS 16 53.878 10.754 -3.695 147 HE3 LYS 16 HE1 LYS 16 54.860 12.227 -3.888 148 HZ1 LYS 16 HZ1 LYS 16 56.628 10.810 -4.836 149 HZ2 LYS 16 HZ2 LYS 16 55.203 10.793 -5.763 150 HZ3 LYS 16 HZ3 LYS 16 55.585 9.474 -4.762 151 H LYS 17 HN LYS 17 54.830 8.523 2.691 152 HA LYS 17 HA LYS 17 56.047 7.681 4.465 153 HB2 LYS 17 HB2 LYS 17 58.180 8.148 2.964 154 HB3 LYS 17 HB1 LYS 17 58.379 9.557 4.025 155 HG2 LYS 17 HG2 LYS 17 58.401 8.103 6.011 156 HG3 LYS 17 HG1 LYS 17 58.099 6.674 4.994 157 HD2 LYS 17 HD2 LYS 17 60.248 7.272 3.734 158 HD3 LYS 17 HD1 LYS 17 60.574 8.444 5.032 159 HE2 LYS 17 HE2 LYS 17 60.191 5.438 5.358 160 HE3 LYS 17 HE1 LYS 17 61.713 6.341 5.547 161 HZ1 LYS 17 HZ1 LYS 17 60.843 6.024 7.700 162 HZ2 LYS 17 HZ2 LYS 17 59.276 6.494 7.240 163 HZ3 LYS 17 HZ3 LYS 17 60.525 7.645 7.318 164 H GLY 18 HN GLY 18 54.278 10.315 4.136 165 HA2 GLY 18 HA1 GLY 18 53.610 11.241 6.474 166 HA3 GLY 18 HA2 GLY 18 55.331 11.622 6.688 167 H ARG 19 HN ARG 19 53.523 12.017 3.682 168 HA ARG 19 HA ARG 19 53.483 13.902 2.373 169 HB2 ARG 19 HB2 ARG 19 53.017 15.034 5.156 170 HB3 ARG 19 HB1 ARG 19 53.438 16.168 3.856 171 HG2 ARG 19 HG2 ARG 19 51.229 14.123 3.408 172 HG3 ARG 19 HG1 ARG 19 50.887 15.596 4.343 173 HD2 ARG 19 HD2 ARG 19 51.722 16.980 2.443 174 HD3 ARG 19 HD1 ARG 19 51.997 15.497 1.499 175 HE ARG 19 HE ARG 19 49.310 15.395 2.323 176 HH11 ARG 19 HH11 ARG 19 51.406 16.857 0.064 177 HH12 ARG 19 HH12 ARG 19 50.153 17.705 -0.778 178 HH21 ARG 19 HH21 ARG 19 47.659 16.758 1.438 179 HH22 ARG 19 HH22 ARG 19 48.031 17.649 0.000 180 H LYS 20 HN LYS 20 55.820 12.455 3.814 181 HA LYS 20 HA LYS 20 57.738 14.481 4.477 182 HB2 LYS 20 HB2 LYS 20 58.398 11.903 3.196 183 HB3 LYS 20 HB1 LYS 20 59.518 13.262 3.512 184 HG2 LYS 20 HG2 LYS 20 58.797 13.113 5.981 185 HG3 LYS 20 HG1 LYS 20 58.040 11.567 5.574 186 HD2 LYS 20 HD2 LYS 20 60.253 10.759 4.702 187 HD3 LYS 20 HD1 LYS 20 60.975 12.282 5.247 188 HE2 LYS 20 HE2 LYS 20 61.260 10.405 6.896 189 HE3 LYS 20 HE1 LYS 20 60.387 11.805 7.562 190 HZ1 LYS 20 HZ1 LYS 20 59.516 9.227 7.585 191 HZ2 LYS 20 HZ2 LYS 20 58.657 9.899 6.283 192 HZ3 LYS 20 HZ3 LYS 20 58.549 10.599 7.829 193 H ALA 21 HN ALA 21 56.447 13.159 1.634 194 HA ALA 21 HA ALA 21 58.432 14.112 -0.212 195 HB1 ALA 21 HB1 ALA 21 56.564 13.371 -1.364 196 HB2 ALA 21 HB2 ALA 21 56.287 15.110 -1.493 197 HB3 ALA 21 HB3 ALA 21 55.476 14.178 -0.224 198 H VAL 22 HN VAL 22 58.065 15.319 2.186 199 HA VAL 22 HA VAL 22 59.239 17.746 1.931 200 HB VAL 22 HB VAL 22 57.431 18.812 0.663 201 HG11 VAL 22 HG11 VAL 22 55.693 18.009 3.035 202 HG12 VAL 22 HG12 VAL 22 55.596 17.351 1.384 203 HG13 VAL 22 HG13 VAL 22 55.168 19.051 1.693 204 HG21 VAL 22 HG21 VAL 22 57.095 20.784 1.972 205 HG22 VAL 22 HG22 VAL 22 58.657 20.121 2.506 206 HG23 VAL 22 HG23 VAL 22 57.202 19.882 3.503 207 H ILE 23 HN ILE 23 56.899 15.969 4.114 208 HA ILE 23 HA ILE 23 57.825 17.744 6.246 209 HB ILE 23 HB ILE 23 56.966 14.815 6.517 210 HG12 ILE 23 HG12 ILE 23 55.173 16.100 5.460 211 HG13 ILE 23 HG11 ILE 23 54.741 15.785 7.153 212 HG21 ILE 23 HG21 ILE 23 56.328 15.880 8.887 213 HG22 ILE 23 HG22 ILE 23 57.625 17.023 8.472 214 HG23 ILE 23 HG23 ILE 23 57.969 15.284 8.560 215 HD11 ILE 23 HD1 ILE 23 55.609 18.386 5.851 216 HD12 ILE 23 HD2 ILE 23 55.812 18.149 7.600 217 HD13 ILE 23 HD3 ILE 23 54.195 18.065 6.877 218 H ALA 24 HN ALA 24 59.530 15.966 3.967 219 HA ALA 24 HA ALA 24 62.019 16.321 4.853 220 HB1 ALA 24 HB1 ALA 24 62.623 14.078 6.166 221 HB2 ALA 24 HB2 ALA 24 60.914 14.164 6.648 222 HB3 ALA 24 HB3 ALA 24 62.021 15.499 7.042 223 H TRP 25 HN TRP 25 60.637 15.715 2.608 224 HA TRP 25 HA TRP 25 60.767 14.469 0.639 225 HB2 TRP 25 HB2 TRP 25 63.601 14.047 1.669 226 HB3 TRP 25 HB1 TRP 25 63.059 13.815 -0.011 227 HD1 TRP 25 HD1 TRP 25 63.848 16.507 2.559 228 HE1 TRP 25 HE1 TRP 25 63.913 18.839 1.409 229 HE3 TRP 25 HE3 TRP 25 62.064 15.182 -2.054 230 HZ2 TRP 25 HZ2 TRP 25 63.270 19.945 -1.172 231 HZ3 TRP 25 HZ3 TRP 25 61.798 16.892 -3.844 232 HH2 TRP 25 HH2 TRP 25 62.399 19.269 -3.408 Start of MODEL 2 1 H1 ALA 1 HT1 ALA 1 45.979 2.620 -7.589 2 H2 ALA 1 HT2 ALA 1 44.476 1.869 -7.333 3 H3 ALA 1 HT3 ALA 1 45.094 2.958 -6.184 4 HA ALA 1 HA ALA 1 44.961 4.148 -8.736 5 HB1 ALA 1 HB1 ALA 1 42.387 4.250 -8.664 6 HB2 ALA 1 HB2 ALA 1 42.484 2.825 -7.603 7 HB3 ALA 1 HB3 ALA 1 43.125 2.745 -9.259 8 H GLY 2 HN GLY 2 43.000 5.952 -8.306 9 HA2 GLY 2 HA1 GLY 2 43.002 6.957 -5.561 10 HA3 GLY 2 HA2 GLY 2 44.085 7.867 -6.641 11 H LYS 3 HN LYS 3 41.012 6.222 -7.234 12 HA LYS 3 HA LYS 3 39.918 8.850 -8.036 13 HB2 LYS 3 HB2 LYS 3 39.582 6.784 -9.553 14 HB3 LYS 3 HB1 LYS 3 38.512 6.165 -8.272 15 HG2 LYS 3 HG2 LYS 3 37.103 8.191 -8.461 16 HG3 LYS 3 HG1 LYS 3 38.175 8.822 -9.735 17 HD2 LYS 3 HD2 LYS 3 37.687 6.752 -11.088 18 HD3 LYS 3 HD1 LYS 3 36.498 6.277 -9.850 19 HE2 LYS 3 HE2 LYS 3 35.185 8.286 -10.252 20 HE3 LYS 3 HE1 LYS 3 36.428 8.929 -11.351 21 HZ1 LYS 3 HZ1 LYS 3 34.282 7.411 -12.074 22 HZ2 LYS 3 HZ2 LYS 3 35.557 6.288 -12.070 23 HZ3 LYS 3 HZ3 LYS 3 35.662 7.693 -13.020 24 H GLU 4 HN GLU 4 40.054 6.538 -5.683 25 HA GLU 4 HA GLU 4 37.754 7.605 -4.169 26 HB2 GLU 4 HB2 GLU 4 40.166 6.268 -2.859 27 HB3 GLU 4 HB1 GLU 4 38.427 6.114 -2.469 28 HG2 GLU 4 HG2 GLU 4 39.826 4.901 -4.894 29 HG3 GLU 4 HG1 GLU 4 39.222 4.020 -3.471 30 H THR 5 HN THR 5 40.760 8.480 -5.476 31 HA THR 5 HA THR 5 42.549 9.673 -4.419 32 HB THR 5 HB THR 5 41.599 11.273 -5.973 33 HG1 THR 5 HG1 THR 5 41.682 12.582 -3.455 34 HG21 THR 5 HG21 THR 5 39.533 12.012 -3.863 35 HG22 THR 5 HG22 THR 5 39.217 10.859 -5.181 36 HG23 THR 5 HG23 THR 5 39.599 12.556 -5.555 37 H ILE 6 HN ILE 6 42.578 8.603 -2.705 38 HA ILE 6 HA ILE 6 43.298 9.551 -0.356 39 HB ILE 6 HB ILE 6 40.257 9.683 -0.472 40 HG12 ILE 6 HG12 ILE 6 41.975 11.165 1.545 41 HG13 ILE 6 HG11 ILE 6 42.124 11.635 -0.158 42 HG21 ILE 6 HG21 ILE 6 40.200 9.365 2.059 43 HG22 ILE 6 HG22 ILE 6 41.836 8.686 1.936 44 HG23 ILE 6 HG23 ILE 6 40.472 7.883 1.116 45 HD11 ILE 6 HD1 ILE 6 39.653 11.968 -0.271 46 HD12 ILE 6 HD2 ILE 6 40.414 13.008 0.957 47 HD13 ILE 6 HD3 ILE 6 39.531 11.545 1.453 48 H ARG 7 HN ARG 7 42.323 7.571 -2.714 49 HA ARG 7 HA ARG 7 41.652 5.049 -1.445 50 HB2 ARG 7 HB2 ARG 7 41.920 5.566 -4.001 51 HB3 ARG 7 HB1 ARG 7 43.648 5.279 -3.749 52 HG2 ARG 7 HG2 ARG 7 43.189 3.025 -2.897 53 HG3 ARG 7 HG1 ARG 7 41.437 3.302 -3.038 54 HD2 ARG 7 HD2 ARG 7 41.848 3.762 -5.531 55 HD3 ARG 7 HD1 ARG 7 43.488 3.118 -5.277 56 HE ARG 7 HE ARG 7 42.551 0.944 -5.088 57 HH11 ARG 7 HH11 ARG 7 40.348 2.466 -6.770 58 HH12 ARG 7 HH12 ARG 7 38.929 1.784 -6.045 59 HH21 ARG 7 HH21 ARG 7 40.635 0.454 -3.332 60 HH22 ARG 7 HH22 ARG 7 39.092 0.644 -4.098 61 H GLN 8 HN GLN 8 44.365 6.995 -1.628 62 HA GLN 8 HA GLN 8 45.958 6.730 0.335 63 HB2 GLN 8 HB2 GLN 8 46.174 4.006 -1.024 64 HB3 GLN 8 HB1 GLN 8 47.591 4.712 -0.231 65 HG2 GLN 8 HG2 GLN 8 46.644 4.628 1.914 66 HG3 GLN 8 HG1 GLN 8 44.976 4.611 1.308 67 HE21 GLN 8 HE21 GLN 8 45.035 2.676 2.996 68 HE22 GLN 8 HE22 GLN 8 45.434 1.099 2.307 69 H TYR 9 HN TYR 9 45.183 7.366 -2.555 70 HA TYR 9 HA TYR 9 47.861 7.693 -3.805 71 HB2 TYR 9 HB2 TYR 9 45.838 7.134 -5.176 72 HB3 TYR 9 HB1 TYR 9 45.128 8.696 -4.701 73 HD1 TYR 9 HD1 TYR 9 45.876 10.768 -5.691 74 HD2 TYR 9 HD2 TYR 9 47.960 7.080 -6.519 75 HE1 TYR 9 HE1 TYR 9 47.155 11.898 -7.507 76 HE2 TYR 9 HE2 TYR 9 49.240 8.210 -8.334 77 HH TYR 9 HH TYR 9 49.684 10.144 -9.339 78 H LEU 10 HN LEU 10 45.651 9.300 -1.720 79 HA LEU 10 HA LEU 10 46.849 11.997 -2.271 80 HB2 LEU 10 HB2 LEU 10 44.320 11.266 -1.559 81 HB3 LEU 10 HB1 LEU 10 44.997 11.501 0.060 82 HG LEU 10 HG LEU 10 43.951 13.568 -0.681 83 HD11 LEU 10 HD11 LEU 10 46.109 13.676 0.607 84 HD12 LEU 10 HD12 LEU 10 45.775 15.119 -0.376 85 HD13 LEU 10 HD13 LEU 10 46.966 13.925 -0.931 86 HD21 LEU 10 HD21 LEU 10 44.461 12.899 -3.243 87 HD22 LEU 10 HD22 LEU 10 45.869 13.955 -2.997 88 HD23 LEU 10 HD23 LEU 10 44.229 14.592 -2.759 89 H LYS 11 HN LYS 11 47.563 9.214 -0.890 90 HA LYS 11 HA LYS 11 49.420 10.370 1.188 91 HB2 LYS 11 HB2 LYS 11 47.843 7.780 1.339 92 HB3 LYS 11 HB1 LYS 11 48.992 8.398 2.550 93 HG2 LYS 11 HG2 LYS 11 47.545 10.323 3.003 94 HG3 LYS 11 HG1 LYS 11 46.438 9.836 1.697 95 HD2 LYS 11 HD2 LYS 11 46.128 7.625 2.961 96 HD3 LYS 11 HD1 LYS 11 46.976 8.392 4.323 97 HE2 LYS 11 HE2 LYS 11 44.394 9.341 3.011 98 HE3 LYS 11 HE1 LYS 11 44.578 8.670 4.649 99 HZ1 LYS 11 HZ1 LYS 11 44.545 10.977 4.929 100 HZ2 LYS 11 HZ2 LYS 11 45.557 11.263 3.594 101 HZ3 LYS 11 HZ3 LYS 11 46.192 10.579 5.014 102 H ASN 12 HN ASN 12 48.993 8.838 -1.719 103 HA ASN 12 HA ASN 12 50.415 7.416 -2.886 104 HB2 ASN 12 HB2 ASN 12 51.859 9.376 -2.580 105 HB3 ASN 12 HB1 ASN 12 52.484 8.652 -1.085 106 HD21 ASN 12 HD21 ASN 12 51.703 6.325 -3.559 107 HD22 ASN 12 HD22 ASN 12 53.355 6.060 -4.123 108 H GLU 13 HN GLU 13 49.405 6.720 0.051 109 HA GLU 13 HA GLU 13 49.406 4.741 1.293 110 HB2 GLU 13 HB2 GLU 13 50.032 3.721 -1.079 111 HB3 GLU 13 HB1 GLU 13 51.651 3.556 -0.366 112 HG2 GLU 13 HG2 GLU 13 50.636 2.316 1.564 113 HG3 GLU 13 HG1 GLU 13 49.059 2.397 0.744 114 H ILE 14 HN ILE 14 51.720 6.906 0.795 115 HA ILE 14 HA ILE 14 53.409 6.248 3.156 116 HB ILE 14 HB ILE 14 55.032 7.544 1.232 117 HG12 ILE 14 HG12 ILE 14 53.647 5.084 0.144 118 HG13 ILE 14 HG11 ILE 14 53.611 6.734 -0.505 119 HG21 ILE 14 HG21 ILE 14 55.257 4.611 1.965 120 HG22 ILE 14 HG22 ILE 14 55.674 5.884 3.128 121 HG23 ILE 14 HG23 ILE 14 56.561 5.763 1.599 122 HD11 ILE 14 HD1 ILE 14 55.221 5.641 -1.854 123 HD12 ILE 14 HD2 ILE 14 55.927 4.790 -0.461 124 HD13 ILE 14 HD3 ILE 14 56.193 6.539 -0.664 125 H LYS 15 HN LYS 15 51.528 8.696 1.494 126 HA LYS 15 HA LYS 15 51.517 10.925 2.132 127 HB2 LYS 15 HB2 LYS 15 52.565 9.856 4.777 128 HB3 LYS 15 HB1 LYS 15 51.989 11.504 4.507 129 HG2 LYS 15 HG2 LYS 15 49.787 10.489 3.760 130 HG3 LYS 15 HG1 LYS 15 50.406 8.927 4.352 131 HD2 LYS 15 HD2 LYS 15 50.723 9.883 6.603 132 HD3 LYS 15 HD1 LYS 15 50.148 11.465 6.026 133 HE2 LYS 15 HE2 LYS 15 47.965 10.428 5.418 134 HE3 LYS 15 HE1 LYS 15 48.539 8.873 6.064 135 HZ1 LYS 15 HZ1 LYS 15 48.797 9.885 8.225 136 HZ2 LYS 15 HZ2 LYS 15 47.209 10.134 7.675 137 HZ3 LYS 15 HZ3 LYS 15 48.338 11.403 7.624 138 H LYS 16 HN LYS 16 53.328 9.334 0.717 139 HA LYS 16 HA LYS 16 55.502 9.340 -0.118 140 HB2 LYS 16 HB2 LYS 16 55.221 12.229 0.788 141 HB3 LYS 16 HB1 LYS 16 56.568 11.594 -0.183 142 HG2 LYS 16 HG2 LYS 16 55.153 12.361 -1.917 143 HG3 LYS 16 HG1 LYS 16 54.592 10.691 -1.775 144 HD2 LYS 16 HD2 LYS 16 52.707 11.380 -0.392 145 HD3 LYS 16 HD1 LYS 16 53.324 13.046 -0.302 146 HE2 LYS 16 HE2 LYS 16 53.007 13.354 -2.693 147 HE3 LYS 16 HE1 LYS 16 52.564 11.642 -2.897 148 HZ1 LYS 16 HZ1 LYS 16 50.545 12.789 -2.791 149 HZ2 LYS 16 HZ2 LYS 16 51.053 13.788 -1.514 150 HZ3 LYS 16 HZ3 LYS 16 50.728 12.144 -1.233 151 H LYS 17 HN LYS 17 54.804 8.530 2.562 152 HA LYS 17 HA LYS 17 55.968 7.789 4.385 153 HB2 LYS 17 HB2 LYS 17 58.070 8.100 2.868 154 HB3 LYS 17 HB1 LYS 17 58.335 9.578 3.798 155 HG2 LYS 17 HG2 LYS 17 58.235 8.215 5.912 156 HG3 LYS 17 HG1 LYS 17 58.107 6.752 4.910 157 HD2 LYS 17 HD2 LYS 17 60.411 8.754 4.823 158 HD3 LYS 17 HD1 LYS 17 60.452 7.175 5.638 159 HE2 LYS 17 HE2 LYS 17 59.740 6.237 3.264 160 HE3 LYS 17 HE1 LYS 17 60.389 7.787 2.673 161 HZ1 LYS 17 HZ1 LYS 17 62.407 6.935 2.859 162 HZ2 LYS 17 HZ2 LYS 17 61.790 5.487 3.500 163 HZ3 LYS 17 HZ3 LYS 17 62.199 6.772 4.535 164 H GLY 18 HN GLY 18 54.133 10.306 4.080 165 HA2 GLY 18 HA1 GLY 18 53.477 11.341 6.338 166 HA3 GLY 18 HA2 GLY 18 55.194 11.707 6.584 167 H ARG 19 HN ARG 19 53.353 12.144 3.572 168 HA ARG 19 HA ARG 19 53.427 14.044 2.239 169 HB2 ARG 19 HB2 ARG 19 52.704 15.005 4.988 170 HB3 ARG 19 HB1 ARG 19 53.461 16.254 3.972 171 HG2 ARG 19 HG2 ARG 19 51.769 15.775 2.188 172 HG3 ARG 19 HG1 ARG 19 50.994 14.588 3.264 173 HD2 ARG 19 HD2 ARG 19 49.868 16.821 3.342 174 HD3 ARG 19 HD1 ARG 19 50.534 16.339 4.921 175 HE ARG 19 HE ARG 19 52.501 17.877 3.519 176 HH11 ARG 19 HH11 ARG 19 49.639 19.178 3.209 177 HH12 ARG 19 HH12 ARG 19 49.742 20.374 4.458 178 HH21 ARG 19 HH21 ARG 19 52.553 18.976 5.930 179 HH22 ARG 19 HH22 ARG 19 51.393 20.260 5.999 180 H LYS 20 HN LYS 20 55.679 12.559 3.747 181 HA LYS 20 HA LYS 20 57.545 14.605 4.502 182 HB2 LYS 20 HB2 LYS 20 58.183 11.896 3.591 183 HB3 LYS 20 HB1 LYS 20 59.362 13.227 3.858 184 HG2 LYS 20 HG2 LYS 20 58.662 13.465 6.200 185 HG3 LYS 20 HG1 LYS 20 57.407 12.235 6.010 186 HD2 LYS 20 HD2 LYS 20 59.078 10.492 5.729 187 HD3 LYS 20 HD1 LYS 20 60.383 11.691 5.633 188 HE2 LYS 20 HE2 LYS 20 60.365 10.721 7.870 189 HE3 LYS 20 HE1 LYS 20 59.801 12.403 7.982 190 HZ1 LYS 20 HZ1 LYS 20 58.483 10.464 9.112 191 HZ2 LYS 20 HZ2 LYS 20 57.818 10.275 7.560 192 HZ3 LYS 20 HZ3 LYS 20 57.663 11.755 8.378 193 H ALA 21 HN ALA 21 56.625 13.106 1.589 194 HA ALA 21 HA ALA 21 58.891 13.927 0.030 195 HB1 ALA 21 HB1 ALA 21 57.262 13.211 -1.451 196 HB2 ALA 21 HB2 ALA 21 56.975 14.946 -1.602 197 HB3 ALA 21 HB3 ALA 21 55.997 13.992 -0.485 198 H VAL 22 HN VAL 22 58.151 15.254 2.277 199 HA VAL 22 HA VAL 22 59.403 17.674 1.972 200 HB VAL 22 HB VAL 22 56.966 18.199 0.727 201 HG11 VAL 22 HG11 VAL 22 55.859 18.052 3.018 202 HG12 VAL 22 HG12 VAL 22 55.581 19.561 2.123 203 HG13 VAL 22 HG13 VAL 22 56.760 19.520 3.456 204 HG21 VAL 22 HG21 VAL 22 58.728 20.205 2.200 205 HG22 VAL 22 HG22 VAL 22 57.578 20.594 0.898 206 HG23 VAL 22 HG23 VAL 22 59.005 19.587 0.554 207 H ILE 23 HN ILE 23 56.870 16.098 4.162 208 HA ILE 23 HA ILE 23 57.872 17.888 6.238 209 HB ILE 23 HB ILE 23 56.752 15.047 6.538 210 HG12 ILE 23 HG12 ILE 23 55.563 17.829 6.981 211 HG13 ILE 23 HG11 ILE 23 55.188 16.757 5.616 212 HG21 ILE 23 HG21 ILE 23 58.011 15.349 8.509 213 HG22 ILE 23 HG22 ILE 23 56.443 16.019 8.986 214 HG23 ILE 23 HG23 ILE 23 57.764 17.110 8.523 215 HD11 ILE 23 HD1 ILE 23 53.421 16.099 6.960 216 HD12 ILE 23 HD2 ILE 23 54.223 16.637 8.451 217 HD13 ILE 23 HD3 ILE 23 54.645 15.066 7.736 218 H ALA 24 HN ALA 24 59.556 15.951 4.072 219 HA ALA 24 HA ALA 24 62.054 16.226 4.981 220 HB1 ALA 24 HB1 ALA 24 60.826 14.193 6.844 221 HB2 ALA 24 HB2 ALA 24 61.950 15.522 7.212 222 HB3 ALA 24 HB3 ALA 24 62.546 14.055 6.418 223 H TRP 25 HN TRP 25 60.827 15.603 2.655 224 HA TRP 25 HA TRP 25 61.101 14.295 0.758 225 HB2 TRP 25 HB2 TRP 25 63.491 13.089 2.192 226 HB3 TRP 25 HB1 TRP 25 63.225 13.225 0.438 227 HD1 TRP 25 HD1 TRP 25 64.442 15.151 3.443 228 HE1 TRP 25 HE1 TRP 25 65.302 17.498 2.728 229 HE3 TRP 25 HE3 TRP 25 62.782 15.178 -1.400 230 HZ2 TRP 25 HZ2 TRP 25 65.258 19.138 0.362 231 HZ3 TRP 25 HZ3 TRP 25 63.202 17.144 -2.867 232 HH2 TRP 25 HH2 TRP 25 64.437 19.122 -1.993 Start of MODEL 3 1 H1 ALA 1 HT1 ALA 1 43.709 3.784 -8.577 2 H2 ALA 1 HT2 ALA 1 42.216 3.939 -9.373 3 H3 ALA 1 HT3 ALA 1 42.351 4.336 -7.726 4 HA ALA 1 HA ALA 1 44.233 5.777 -9.238 5 HB1 ALA 1 HB1 ALA 1 42.455 5.375 -10.998 6 HB2 ALA 1 HB2 ALA 1 42.770 7.084 -10.610 7 HB3 ALA 1 HB3 ALA 1 41.327 6.273 -9.954 8 H GLY 2 HN GLY 2 44.374 7.895 -8.445 9 HA2 GLY 2 HA1 GLY 2 43.183 8.224 -5.767 10 HA3 GLY 2 HA2 GLY 2 44.340 9.318 -6.575 11 H LYS 3 HN LYS 3 41.284 8.014 -7.678 12 HA LYS 3 HA LYS 3 40.231 10.789 -7.718 13 HB2 LYS 3 HB2 LYS 3 39.316 8.251 -9.132 14 HB3 LYS 3 HB1 LYS 3 38.296 9.706 -9.042 15 HG2 LYS 3 HG2 LYS 3 40.012 11.028 -10.189 16 HG3 LYS 3 HG1 LYS 3 41.116 9.631 -10.202 17 HD2 LYS 3 HD2 LYS 3 39.478 8.359 -11.572 18 HD3 LYS 3 HD1 LYS 3 38.401 9.777 -11.584 19 HE2 LYS 3 HE2 LYS 3 40.321 11.101 -12.602 20 HE3 LYS 3 HE1 LYS 3 41.190 9.558 -12.788 21 HZ1 LYS 3 HZ1 LYS 3 39.958 9.039 -14.547 22 HZ2 LYS 3 HZ2 LYS 3 39.364 10.630 -14.536 23 HZ3 LYS 3 HZ3 LYS 3 38.504 9.394 -13.751 24 H GLU 4 HN GLU 4 40.285 7.826 -6.265 25 HA GLU 4 HA GLU 4 37.849 8.251 -4.674 26 HB2 GLU 4 HB2 GLU 4 39.665 6.092 -5.069 27 HB3 GLU 4 HB1 GLU 4 40.089 6.674 -3.438 28 HG2 GLU 4 HG2 GLU 4 37.621 6.546 -2.852 29 HG3 GLU 4 HG1 GLU 4 37.336 5.771 -4.429 30 H THR 5 HN THR 5 40.893 9.611 -5.359 31 HA THR 5 HA THR 5 42.510 10.517 -3.819 32 HB THR 5 HB THR 5 40.229 12.541 -3.512 33 HG1 THR 5 HG1 THR 5 40.868 11.489 -5.738 34 HG21 THR 5 HG21 THR 5 43.251 12.765 -3.800 35 HG22 THR 5 HG22 THR 5 42.271 13.160 -2.369 36 HG23 THR 5 HG23 THR 5 42.141 14.154 -3.839 37 H ILE 6 HN ILE 6 42.254 8.900 -2.575 38 HA ILE 6 HA ILE 6 42.650 9.204 0.078 39 HB ILE 6 HB ILE 6 39.921 9.725 -0.044 40 HG12 ILE 6 HG12 ILE 6 39.851 8.534 2.325 41 HG13 ILE 6 HG11 ILE 6 41.585 8.268 2.033 42 HG21 ILE 6 HG21 ILE 6 38.559 7.809 0.263 43 HG22 ILE 6 HG22 ILE 6 39.962 6.738 0.476 44 HG23 ILE 6 HG23 ILE 6 39.590 7.407 -1.128 45 HD11 ILE 6 HD1 ILE 6 41.241 10.357 3.288 46 HD12 ILE 6 HD2 ILE 6 40.143 10.959 2.027 47 HD13 ILE 6 HD3 ILE 6 41.869 10.730 1.668 48 H ARG 7 HN ARG 7 42.354 7.970 -2.892 49 HA ARG 7 HA ARG 7 42.044 5.091 -2.367 50 HB2 ARG 7 HB2 ARG 7 41.983 6.336 -4.663 51 HB3 ARG 7 HB1 ARG 7 43.750 6.274 -4.596 52 HG2 ARG 7 HG2 ARG 7 42.828 3.603 -3.966 53 HG3 ARG 7 HG1 ARG 7 41.880 4.146 -5.364 54 HD2 ARG 7 HD2 ARG 7 44.107 4.834 -6.436 55 HD3 ARG 7 HD1 ARG 7 44.909 3.959 -5.113 56 HE ARG 7 HE ARG 7 43.503 2.751 -7.378 57 HH11 ARG 7 HH11 ARG 7 45.785 1.301 -6.602 58 HH12 ARG 7 HH12 ARG 7 45.216 0.068 -5.526 59 HH21 ARG 7 HH21 ARG 7 42.188 1.641 -4.903 60 HH22 ARG 7 HH22 ARG 7 43.180 0.261 -4.566 61 H GLN 8 HN GLN 8 43.994 6.845 -0.765 62 HA GLN 8 HA GLN 8 45.920 6.482 0.360 63 HB2 GLN 8 HB2 GLN 8 46.462 3.980 -1.315 64 HB3 GLN 8 HB1 GLN 8 47.201 4.436 0.228 65 HG2 GLN 8 HG2 GLN 8 45.045 4.202 1.380 66 HG3 GLN 8 HG1 GLN 8 44.242 3.806 -0.155 67 HE21 GLN 8 HE21 GLN 8 45.964 2.487 2.543 68 HE22 GLN 8 HE22 GLN 8 46.186 0.863 1.880 69 H TYR 9 HN TYR 9 45.152 7.505 -2.306 70 HA TYR 9 HA TYR 9 47.866 7.894 -3.520 71 HB2 TYR 9 HB2 TYR 9 46.021 7.377 -5.089 72 HB3 TYR 9 HB1 TYR 9 45.077 8.733 -4.426 73 HD1 TYR 9 HD1 TYR 9 45.635 11.045 -4.957 74 HD2 TYR 9 HD2 TYR 9 48.079 7.796 -6.409 75 HE1 TYR 9 HE1 TYR 9 46.789 12.609 -6.517 76 HE2 TYR 9 HE2 TYR 9 49.232 9.360 -7.967 77 HH TYR 9 HH TYR 9 48.343 12.822 -8.106 78 H LEU 10 HN LEU 10 45.363 9.166 -1.489 79 HA LEU 10 HA LEU 10 46.369 11.971 -1.656 80 HB2 LEU 10 HB2 LEU 10 43.939 10.937 -0.925 81 HB3 LEU 10 HB1 LEU 10 44.685 11.048 0.681 82 HG LEU 10 HG LEU 10 44.388 13.331 -1.332 83 HD11 LEU 10 HD11 LEU 10 42.734 14.214 0.179 84 HD12 LEU 10 HD12 LEU 10 43.121 12.999 1.420 85 HD13 LEU 10 HD13 LEU 10 42.312 12.508 -0.084 86 HD21 LEU 10 HD21 LEU 10 45.144 14.703 0.713 87 HD22 LEU 10 HD22 LEU 10 46.403 13.747 -0.098 88 HD23 LEU 10 HD23 LEU 10 45.679 13.161 1.422 89 H LYS 11 HN LYS 11 47.261 9.040 -0.483 90 HA LYS 11 HA LYS 11 49.182 10.211 1.524 91 HB2 LYS 11 HB2 LYS 11 47.626 7.608 1.754 92 HB3 LYS 11 HB1 LYS 11 48.924 8.154 2.845 93 HG2 LYS 11 HG2 LYS 11 47.590 10.093 3.527 94 HG3 LYS 11 HG1 LYS 11 46.326 9.679 2.344 95 HD2 LYS 11 HD2 LYS 11 45.921 7.537 3.517 96 HD3 LYS 11 HD1 LYS 11 47.187 7.944 4.700 97 HE2 LYS 11 HE2 LYS 11 45.030 8.521 5.665 98 HE3 LYS 11 HE1 LYS 11 45.885 10.030 5.272 99 HZ1 LYS 11 HZ1 LYS 11 44.529 9.388 2.984 100 HZ2 LYS 11 HZ2 LYS 11 44.078 10.568 4.120 101 HZ3 LYS 11 HZ3 LYS 11 43.431 8.999 4.217 102 H ASN 12 HN ASN 12 48.635 8.613 -1.377 103 HA ASN 12 HA ASN 12 50.093 7.237 -2.592 104 HB2 ASN 12 HB2 ASN 12 51.964 8.892 -0.933 105 HB3 ASN 12 HB1 ASN 12 52.601 7.664 -2.053 106 HD21 ASN 12 HD21 ASN 12 49.960 10.183 -2.179 107 HD22 ASN 12 HD22 ASN 12 50.468 10.818 -3.748 108 H GLU 13 HN GLU 13 49.246 6.562 0.413 109 HA GLU 13 HA GLU 13 49.394 4.611 1.689 110 HB2 GLU 13 HB2 GLU 13 49.898 3.522 -0.671 111 HB3 GLU 13 HB1 GLU 13 51.579 3.481 -0.096 112 HG2 GLU 13 HG2 GLU 13 50.621 1.371 0.518 113 HG3 GLU 13 HG1 GLU 13 50.709 2.330 2.014 114 H ILE 14 HN ILE 14 51.640 6.830 0.949 115 HA ILE 14 HA ILE 14 53.413 6.353 3.280 116 HB ILE 14 HB ILE 14 55.362 6.945 1.948 117 HG12 ILE 14 HG12 ILE 14 53.703 6.223 -0.476 118 HG13 ILE 14 HG11 ILE 14 53.824 7.896 0.044 119 HG21 ILE 14 HG21 ILE 14 55.651 4.722 0.980 120 HG22 ILE 14 HG22 ILE 14 53.896 4.446 1.058 121 HG23 ILE 14 HG23 ILE 14 54.839 4.616 2.557 122 HD11 ILE 14 HD1 ILE 14 56.400 7.540 -0.023 123 HD12 ILE 14 HD2 ILE 14 55.551 7.616 -1.583 124 HD13 ILE 14 HD3 ILE 14 56.032 6.045 -0.914 125 H LYS 15 HN LYS 15 51.376 8.633 1.678 126 HA LYS 15 HA LYS 15 51.375 10.902 2.168 127 HB2 LYS 15 HB2 LYS 15 52.573 9.897 4.757 128 HB3 LYS 15 HB1 LYS 15 52.136 11.587 4.480 129 HG2 LYS 15 HG2 LYS 15 49.804 10.816 3.932 130 HG3 LYS 15 HG1 LYS 15 50.290 9.187 4.462 131 HD2 LYS 15 HD2 LYS 15 50.833 10.025 6.694 132 HD3 LYS 15 HD1 LYS 15 50.496 11.696 6.183 133 HE2 LYS 15 HE2 LYS 15 48.142 11.104 5.740 134 HE3 LYS 15 HE1 LYS 15 48.466 9.419 6.209 135 HZ1 LYS 15 HZ1 LYS 15 47.500 10.734 8.022 136 HZ2 LYS 15 HZ2 LYS 15 48.832 11.789 7.977 137 HZ3 LYS 15 HZ3 LYS 15 49.047 10.162 8.416 138 H LYS 16 HN LYS 16 53.191 9.402 0.700 139 HA LYS 16 HA LYS 16 55.266 9.587 -0.308 140 HB2 LYS 16 HB2 LYS 16 55.356 12.427 0.733 141 HB3 LYS 16 HB1 LYS 16 55.960 11.748 -0.800 142 HG2 LYS 16 HG2 LYS 16 53.522 11.237 -1.403 143 HG3 LYS 16 HG1 LYS 16 53.070 12.259 -0.022 144 HD2 LYS 16 HD2 LYS 16 54.120 14.198 -1.004 145 HD3 LYS 16 HD1 LYS 16 54.868 13.213 -2.288 146 HE2 LYS 16 HE2 LYS 16 52.878 14.374 -3.156 147 HE3 LYS 16 HE1 LYS 16 52.600 12.616 -3.125 148 HZ1 LYS 16 HZ1 LYS 16 51.437 12.881 -1.021 149 HZ2 LYS 16 HZ2 LYS 16 50.713 13.834 -2.227 150 HZ3 LYS 16 HZ3 LYS 16 51.702 14.556 -1.050 151 H LYS 17 HN LYS 17 54.757 8.544 2.319 152 HA LYS 17 HA LYS 17 56.002 7.769 4.048 153 HB2 LYS 17 HB2 LYS 17 58.022 8.296 2.407 154 HB3 LYS 17 HB1 LYS 17 58.305 9.636 3.518 155 HG2 LYS 17 HG2 LYS 17 59.618 7.957 4.507 156 HG3 LYS 17 HG1 LYS 17 58.093 7.777 5.403 157 HD2 LYS 17 HD2 LYS 17 57.416 5.916 3.951 158 HD3 LYS 17 HD1 LYS 17 58.848 6.157 2.924 159 HE2 LYS 17 HE2 LYS 17 59.311 4.323 4.446 160 HE3 LYS 17 HE1 LYS 17 60.287 5.722 4.952 161 HZ1 LYS 17 HZ1 LYS 17 58.818 4.363 6.649 162 HZ2 LYS 17 HZ2 LYS 17 57.610 5.429 6.109 163 HZ3 LYS 17 HZ3 LYS 17 59.035 6.038 6.805 164 H GLY 18 HN GLY 18 54.174 10.418 3.890 165 HA2 GLY 18 HA1 GLY 18 53.640 11.318 6.270 166 HA3 GLY 18 HA2 GLY 18 55.380 11.642 6.425 167 H ARG 19 HN ARG 19 53.510 12.174 3.520 168 HA ARG 19 HA ARG 19 53.581 14.078 2.195 169 HB2 ARG 19 HB2 ARG 19 53.080 15.170 4.989 170 HB3 ARG 19 HB1 ARG 19 53.528 16.314 3.702 171 HG2 ARG 19 HG2 ARG 19 51.626 15.588 2.338 172 HG3 ARG 19 HG1 ARG 19 51.217 14.321 3.520 173 HD2 ARG 19 HD2 ARG 19 49.786 16.357 3.773 174 HD3 ARG 19 HD1 ARG 19 50.750 16.020 5.230 175 HE ARG 19 HE ARG 19 52.322 17.775 3.734 176 HH11 ARG 19 HH11 ARG 19 50.979 18.357 6.422 177 HH12 ARG 19 HH12 ARG 19 50.074 19.783 6.035 178 HH21 ARG 19 HH21 ARG 19 50.350 19.346 2.607 179 HH22 ARG 19 HH22 ARG 19 49.717 20.342 3.874 180 H LYS 20 HN LYS 20 55.806 12.533 3.622 181 HA LYS 20 HA LYS 20 57.687 14.612 4.431 182 HB2 LYS 20 HB2 LYS 20 58.419 11.892 3.567 183 HB3 LYS 20 HB1 LYS 20 59.543 13.266 3.871 184 HG2 LYS 20 HG2 LYS 20 58.444 13.453 6.215 185 HG3 LYS 20 HG1 LYS 20 57.762 11.855 5.925 186 HD2 LYS 20 HD2 LYS 20 60.731 12.495 5.745 187 HD3 LYS 20 HD1 LYS 20 59.945 11.840 7.197 188 HE2 LYS 20 HE2 LYS 20 59.126 9.924 5.716 189 HE3 LYS 20 HE1 LYS 20 60.245 10.533 4.472 190 HZ1 LYS 20 HZ1 LYS 20 61.275 10.142 7.189 191 HZ2 LYS 20 HZ2 LYS 20 62.054 9.951 5.691 192 HZ3 LYS 20 HZ3 LYS 20 60.983 8.758 6.252 193 H ALA 21 HN ALA 21 56.907 13.001 1.482 194 HA ALA 21 HA ALA 21 59.275 13.823 0.079 195 HB1 ALA 21 HB1 ALA 21 57.679 12.895 -1.339 196 HB2 ALA 21 HB2 ALA 21 57.644 14.603 -1.814 197 HB3 ALA 21 HB3 ALA 21 56.426 13.971 -0.693 198 H VAL 22 HN VAL 22 58.361 15.233 2.202 199 HA VAL 22 HA VAL 22 59.552 17.668 1.873 200 HB VAL 22 HB VAL 22 57.792 18.479 0.325 201 HG11 VAL 22 HG11 VAL 22 55.486 18.780 1.144 202 HG12 VAL 22 HG12 VAL 22 55.938 18.065 2.710 203 HG13 VAL 22 HG13 VAL 22 55.960 17.067 1.235 204 HG21 VAL 22 HG21 VAL 22 58.931 20.037 2.013 205 HG22 VAL 22 HG22 VAL 22 57.456 19.899 2.998 206 HG23 VAL 22 HG23 VAL 22 57.373 20.601 1.365 207 H ILE 23 HN ILE 23 56.985 16.054 3.987 208 HA ILE 23 HA ILE 23 57.781 18.020 6.007 209 HB ILE 23 HB ILE 23 56.813 15.144 6.432 210 HG12 ILE 23 HG12 ILE 23 55.257 16.872 5.228 211 HG13 ILE 23 HG11 ILE 23 54.605 15.977 6.612 212 HG21 ILE 23 HG21 ILE 23 56.171 16.202 8.732 213 HG22 ILE 23 HG22 ILE 23 57.389 17.433 8.324 214 HG23 ILE 23 HG23 ILE 23 57.855 15.723 8.454 215 HD11 ILE 23 HD1 ILE 23 55.884 18.700 7.038 216 HD12 ILE 23 HD2 ILE 23 54.683 17.860 8.036 217 HD13 ILE 23 HD3 ILE 23 54.206 18.567 6.480 218 H ALA 24 HN ALA 24 59.614 16.003 4.027 219 HA ALA 24 HA ALA 24 62.049 16.426 5.062 220 HB1 ALA 24 HB1 ALA 24 62.508 14.315 6.631 221 HB2 ALA 24 HB2 ALA 24 60.773 14.478 6.978 222 HB3 ALA 24 HB3 ALA 24 61.879 15.830 7.310 223 H TRP 25 HN TRP 25 60.972 15.648 2.709 224 HA TRP 25 HA TRP 25 61.420 14.288 0.886 225 HB2 TRP 25 HB2 TRP 25 63.774 14.830 1.616 226 HB3 TRP 25 HB1 TRP 25 63.789 13.294 2.513 227 HD1 TRP 25 HD1 TRP 25 63.934 11.066 1.142 228 HE1 TRP 25 HE1 TRP 25 64.464 10.502 -1.340 229 HE3 TRP 25 HE3 TRP 25 63.467 15.751 -0.866 230 HZ2 TRP 25 HZ2 TRP 25 64.650 11.919 -3.839 231 HZ3 TRP 25 HZ3 TRP 25 63.825 16.123 -3.301 232 HH2 TRP 25 HH2 TRP 25 64.415 14.214 -4.789 Start of MODEL 4 1 H1 ALA 1 HT1 ALA 1 45.837 2.880 -8.295 2 H2 ALA 1 HT2 ALA 1 44.340 2.075 -8.306 3 H3 ALA 1 HT3 ALA 1 44.844 2.925 -6.924 4 HA ALA 1 HA ALA 1 44.737 4.455 -9.359 5 HB1 ALA 1 HB1 ALA 1 42.287 3.257 -8.040 6 HB2 ALA 1 HB2 ALA 1 42.748 3.209 -9.758 7 HB3 ALA 1 HB3 ALA 1 42.219 4.741 -9.019 8 H GLY 2 HN GLY 2 42.975 6.334 -8.549 9 HA2 GLY 2 HA1 GLY 2 43.136 7.107 -5.792 10 HA3 GLY 2 HA2 GLY 2 44.454 7.881 -6.708 11 H LYS 3 HN LYS 3 41.204 6.954 -7.676 12 HA LYS 3 HA LYS 3 40.703 9.822 -8.225 13 HB2 LYS 3 HB2 LYS 3 39.181 7.307 -9.024 14 HB3 LYS 3 HB1 LYS 3 38.523 8.943 -9.266 15 HG2 LYS 3 HG2 LYS 3 40.545 9.523 -10.619 16 HG3 LYS 3 HG1 LYS 3 41.118 7.846 -10.436 17 HD2 LYS 3 HD2 LYS 3 39.083 7.011 -11.551 18 HD3 LYS 3 HD1 LYS 3 38.468 8.674 -11.702 19 HE2 LYS 3 HE2 LYS 3 41.134 7.773 -12.868 20 HE3 LYS 3 HE1 LYS 3 39.609 7.746 -13.787 21 HZ1 LYS 3 HZ1 LYS 3 40.498 9.809 -14.282 22 HZ2 LYS 3 HZ2 LYS 3 41.093 10.066 -12.713 23 HZ3 LYS 3 HZ3 LYS 3 39.426 10.181 -13.022 24 H GLU 4 HN GLU 4 40.243 7.311 -6.133 25 HA GLU 4 HA GLU 4 38.044 8.598 -4.656 26 HB2 GLU 4 HB2 GLU 4 40.158 6.774 -3.407 27 HB3 GLU 4 HB1 GLU 4 38.411 6.898 -3.046 28 HG2 GLU 4 HG2 GLU 4 39.641 5.678 -5.558 29 HG3 GLU 4 HG1 GLU 4 38.858 4.792 -4.227 30 H THR 5 HN THR 5 41.260 9.061 -5.673 31 HA THR 5 HA THR 5 43.123 9.865 -4.378 32 HB THR 5 HB THR 5 42.611 11.691 -5.900 33 HG1 THR 5 HG1 THR 5 43.052 13.520 -4.559 34 HG21 THR 5 HG21 THR 5 40.232 11.858 -5.699 35 HG22 THR 5 HG22 THR 5 40.875 13.439 -5.195 36 HG23 THR 5 HG23 THR 5 40.333 12.267 -3.970 37 H ILE 6 HN ILE 6 42.534 8.654 -2.814 38 HA ILE 6 HA ILE 6 43.125 9.465 -0.275 39 HB ILE 6 HB ILE 6 40.552 10.436 -0.560 40 HG12 ILE 6 HG12 ILE 6 40.281 9.790 1.999 41 HG13 ILE 6 HG11 ILE 6 41.924 9.135 1.817 42 HG21 ILE 6 HG21 ILE 6 39.783 8.043 -1.160 43 HG22 ILE 6 HG22 ILE 6 38.855 8.905 0.088 44 HG23 ILE 6 HG23 ILE 6 40.036 7.660 0.558 45 HD11 ILE 6 HD1 ILE 6 41.908 11.499 2.633 46 HD12 ILE 6 HD2 ILE 6 41.095 11.993 1.130 47 HD13 ILE 6 HD3 ILE 6 42.746 11.334 1.075 48 H ARG 7 HN ARG 7 42.450 7.671 -2.923 49 HA ARG 7 HA ARG 7 41.679 5.080 -1.775 50 HB2 ARG 7 HB2 ARG 7 41.900 5.663 -4.299 51 HB3 ARG 7 HB1 ARG 7 43.643 5.420 -4.093 52 HG2 ARG 7 HG2 ARG 7 43.294 3.123 -3.356 53 HG3 ARG 7 HG1 ARG 7 41.530 3.345 -3.355 54 HD2 ARG 7 HD2 ARG 7 41.688 3.867 -5.833 55 HD3 ARG 7 HD1 ARG 7 43.396 3.371 -5.758 56 HE ARG 7 HE ARG 7 41.510 1.383 -4.685 57 HH11 ARG 7 HH11 ARG 7 44.242 1.518 -6.415 58 HH12 ARG 7 HH12 ARG 7 43.734 0.517 -7.735 59 HH21 ARG 7 HH21 ARG 7 40.389 0.556 -6.822 60 HH22 ARG 7 HH22 ARG 7 41.552 -0.026 -7.966 61 H GLN 8 HN GLN 8 44.249 7.087 -1.505 62 HA GLN 8 HA GLN 8 45.817 6.717 0.344 63 HB2 GLN 8 HB2 GLN 8 47.255 4.779 0.403 64 HB3 GLN 8 HB1 GLN 8 45.601 4.160 0.321 65 HG2 GLN 8 HG2 GLN 8 46.109 4.239 -2.348 66 HG3 GLN 8 HG1 GLN 8 47.785 4.132 -1.779 67 HE21 GLN 8 HE21 GLN 8 45.379 2.192 -2.911 68 HE22 GLN 8 HE22 GLN 8 45.724 0.722 -1.995 69 H TYR 9 HN TYR 9 45.188 7.451 -2.515 70 HA TYR 9 HA TYR 9 47.932 7.790 -3.629 71 HB2 TYR 9 HB2 TYR 9 46.094 7.261 -5.164 72 HB3 TYR 9 HB1 TYR 9 45.192 8.693 -4.609 73 HD1 TYR 9 HD1 TYR 9 45.970 10.972 -5.167 74 HD2 TYR 9 HD2 TYR 9 48.050 7.475 -6.608 75 HE1 TYR 9 HE1 TYR 9 47.195 12.381 -6.816 76 HE2 TYR 9 HE2 TYR 9 49.276 8.885 -8.257 77 HH TYR 9 HH TYR 9 49.148 12.392 -8.076 78 H LEU 10 HN LEU 10 45.544 9.349 -1.639 79 HA LEU 10 HA LEU 10 46.729 12.067 -2.072 80 HB2 LEU 10 HB2 LEU 10 44.238 11.284 -1.253 81 HB3 LEU 10 HB1 LEU 10 44.997 11.492 0.338 82 HG LEU 10 HG LEU 10 44.841 13.586 -1.888 83 HD11 LEU 10 HD11 LEU 10 43.276 14.731 -0.455 84 HD12 LEU 10 HD12 LEU 10 43.583 13.604 0.888 85 HD13 LEU 10 HD13 LEU 10 42.726 13.045 -0.565 86 HD21 LEU 10 HD21 LEU 10 45.719 15.102 -0.009 87 HD22 LEU 10 HD22 LEU 10 46.899 13.969 -0.699 88 HD23 LEU 10 HD23 LEU 10 46.134 13.614 0.872 89 H LYS 11 HN LYS 11 47.470 9.221 -0.691 90 HA LYS 11 HA LYS 11 49.426 10.390 1.287 91 HB2 LYS 11 HB2 LYS 11 47.814 7.831 1.490 92 HB3 LYS 11 HB1 LYS 11 49.061 8.382 2.633 93 HG2 LYS 11 HG2 LYS 11 47.619 10.514 2.924 94 HG3 LYS 11 HG1 LYS 11 46.336 9.624 2.071 95 HD2 LYS 11 HD2 LYS 11 47.739 8.681 4.613 96 HD3 LYS 11 HD1 LYS 11 46.120 9.414 4.545 97 HE2 LYS 11 HE2 LYS 11 45.542 7.524 2.855 98 HE3 LYS 11 HE1 LYS 11 47.030 6.738 3.436 99 HZ1 LYS 11 HZ1 LYS 11 45.323 7.733 5.540 100 HZ2 LYS 11 HZ2 LYS 11 46.082 6.222 5.374 101 HZ3 LYS 11 HZ3 LYS 11 44.601 6.522 4.597 102 H ASN 12 HN ASN 12 48.931 8.842 -1.603 103 HA ASN 12 HA ASN 12 50.335 7.401 -2.781 104 HB2 ASN 12 HB2 ASN 12 52.358 8.729 -0.999 105 HB3 ASN 12 HB1 ASN 12 52.760 7.758 -2.441 106 HD21 ASN 12 HD21 ASN 12 51.631 8.516 -4.551 107 HD22 ASN 12 HD22 ASN 12 51.439 10.261 -4.752 108 H GLU 13 HN GLU 13 49.347 6.726 0.175 109 HA GLU 13 HA GLU 13 49.366 4.747 1.431 110 HB2 GLU 13 HB2 GLU 13 49.965 3.713 -0.947 111 HB3 GLU 13 HB1 GLU 13 51.589 3.548 -0.248 112 HG2 GLU 13 HG2 GLU 13 50.650 2.278 1.660 113 HG3 GLU 13 HG1 GLU 13 49.018 2.442 0.968 114 H ILE 14 HN ILE 14 51.686 6.897 0.857 115 HA ILE 14 HA ILE 14 53.410 6.276 3.206 116 HB ILE 14 HB ILE 14 55.031 7.526 1.278 117 HG12 ILE 14 HG12 ILE 14 53.601 5.117 0.148 118 HG13 ILE 14 HG11 ILE 14 53.516 6.790 -0.446 119 HG21 ILE 14 HG21 ILE 14 56.495 5.672 1.555 120 HG22 ILE 14 HG22 ILE 14 55.152 4.574 1.949 121 HG23 ILE 14 HG23 ILE 14 55.658 5.816 3.112 122 HD11 ILE 14 HD1 ILE 14 55.112 5.798 -1.880 123 HD12 ILE 14 HD2 ILE 14 55.847 4.861 -0.559 124 HD13 ILE 14 HD3 ILE 14 56.116 6.618 -0.662 125 H LYS 15 HN LYS 15 51.554 8.728 1.498 126 HA LYS 15 HA LYS 15 51.588 10.965 2.116 127 HB2 LYS 15 HB2 LYS 15 52.625 9.935 4.776 128 HB3 LYS 15 HB1 LYS 15 51.979 11.551 4.480 129 HG2 LYS 15 HG2 LYS 15 49.835 10.402 3.721 130 HG3 LYS 15 HG1 LYS 15 50.524 8.899 4.366 131 HD2 LYS 15 HD2 LYS 15 50.265 11.429 6.047 132 HD3 LYS 15 HD1 LYS 15 48.977 10.210 5.946 133 HE2 LYS 15 HE2 LYS 15 50.706 8.470 6.654 134 HE3 LYS 15 HE1 LYS 15 51.813 9.821 6.986 135 HZ1 LYS 15 HZ1 LYS 15 50.773 9.455 9.006 136 HZ2 LYS 15 HZ2 LYS 15 49.257 9.148 8.306 137 HZ3 LYS 15 HZ3 LYS 15 49.866 10.733 8.359 138 H LYS 16 HN LYS 16 53.371 9.318 0.719 139 HA LYS 16 HA LYS 16 55.549 9.280 -0.106 140 HB2 LYS 16 HB2 LYS 16 55.163 12.180 0.706 141 HB3 LYS 16 HB1 LYS 16 56.660 11.596 -0.067 142 HG2 LYS 16 HG2 LYS 16 53.951 10.929 -1.304 143 HG3 LYS 16 HG1 LYS 16 54.662 12.517 -1.605 144 HD2 LYS 16 HD2 LYS 16 56.819 11.164 -2.308 145 HD3 LYS 16 HD1 LYS 16 55.711 9.780 -2.404 146 HE2 LYS 16 HE2 LYS 16 55.704 12.338 -4.031 147 HE3 LYS 16 HE1 LYS 16 55.669 10.651 -4.599 148 HZ1 LYS 16 HZ1 LYS 16 53.444 10.853 -3.054 149 HZ2 LYS 16 HZ2 LYS 16 53.481 10.955 -4.750 150 HZ3 LYS 16 HZ3 LYS 16 53.500 12.370 -3.808 151 H LYS 17 HN LYS 17 54.788 8.566 2.604 152 HA LYS 17 HA LYS 17 55.957 7.727 4.399 153 HB2 LYS 17 HB2 LYS 17 58.113 8.127 2.933 154 HB3 LYS 17 HB1 LYS 17 58.320 9.565 3.951 155 HG2 LYS 17 HG2 LYS 17 58.326 8.184 5.979 156 HG3 LYS 17 HG1 LYS 17 57.980 6.725 5.021 157 HD2 LYS 17 HD2 LYS 17 60.116 6.961 3.833 158 HD3 LYS 17 HD1 LYS 17 60.464 8.468 4.714 159 HE2 LYS 17 HE2 LYS 17 60.395 7.210 6.862 160 HE3 LYS 17 HE1 LYS 17 60.104 5.705 5.956 161 HZ1 LYS 17 HZ1 LYS 17 62.552 7.189 6.333 162 HZ2 LYS 17 HZ2 LYS 17 62.270 6.749 4.716 163 HZ3 LYS 17 HZ3 LYS 17 62.321 5.558 5.927 164 H GLY 18 HN GLY 18 54.208 10.360 4.064 165 HA2 GLY 18 HA1 GLY 18 53.541 11.321 6.384 166 HA3 GLY 18 HA2 GLY 18 55.262 11.684 6.608 167 H ARG 19 HN ARG 19 53.454 12.083 3.600 168 HA ARG 19 HA ARG 19 53.474 13.962 2.261 169 HB2 ARG 19 HB2 ARG 19 53.028 15.145 5.032 170 HB3 ARG 19 HB1 ARG 19 53.401 16.234 3.679 171 HG2 ARG 19 HG2 ARG 19 51.481 15.207 2.401 172 HG3 ARG 19 HG1 ARG 19 51.074 14.262 3.853 173 HD2 ARG 19 HD2 ARG 19 51.015 17.279 3.495 174 HD3 ARG 19 HD1 ARG 19 49.678 16.197 3.951 175 HE ARG 19 HE ARG 19 51.571 15.865 5.973 176 HH11 ARG 19 HH11 ARG 19 52.329 18.703 5.459 177 HH12 ARG 19 HH12 ARG 19 51.227 19.571 6.475 178 HH21 ARG 19 HH21 ARG 19 49.074 16.884 6.886 179 HH22 ARG 19 HH22 ARG 19 49.384 18.541 7.283 180 H LYS 20 HN LYS 20 55.768 12.511 3.751 181 HA LYS 20 HA LYS 20 57.672 14.542 4.440 182 HB2 LYS 20 HB2 LYS 20 58.322 11.908 3.295 183 HB3 LYS 20 HB1 LYS 20 59.470 13.255 3.585 184 HG2 LYS 20 HG2 LYS 20 58.731 13.269 6.018 185 HG3 LYS 20 HG1 LYS 20 57.826 11.784 5.704 186 HD2 LYS 20 HD2 LYS 20 60.058 10.797 4.847 187 HD3 LYS 20 HD1 LYS 20 60.827 12.219 5.575 188 HE2 LYS 20 HE2 LYS 20 59.886 11.643 7.774 189 HE3 LYS 20 HE1 LYS 20 59.040 10.246 7.064 190 HZ1 LYS 20 HZ1 LYS 20 61.991 10.647 7.097 191 HZ2 LYS 20 HZ2 LYS 20 61.173 9.306 6.450 192 HZ3 LYS 20 HZ3 LYS 20 61.130 9.606 8.121 193 H ALA 21 HN ALA 21 56.502 13.172 1.576 194 HA ALA 21 HA ALA 21 58.592 14.067 -0.184 195 HB1 ALA 21 HB1 ALA 21 56.773 13.345 -1.434 196 HB2 ALA 21 HB2 ALA 21 56.537 15.088 -1.590 197 HB3 ALA 21 HB3 ALA 21 55.646 14.184 -0.355 198 H VAL 22 HN VAL 22 58.119 15.317 2.173 199 HA VAL 22 HA VAL 22 59.342 17.725 1.931 200 HB VAL 22 HB VAL 22 57.592 18.795 0.590 201 HG11 VAL 22 HG11 VAL 22 55.735 17.323 1.302 202 HG12 VAL 22 HG12 VAL 22 55.293 19.037 1.476 203 HG13 VAL 22 HG13 VAL 22 55.745 18.085 2.910 204 HG21 VAL 22 HG21 VAL 22 57.219 20.783 1.871 205 HG22 VAL 22 HG22 VAL 22 58.758 20.114 2.464 206 HG23 VAL 22 HG23 VAL 22 57.267 19.893 3.411 207 H ILE 23 HN ILE 23 56.873 16.034 4.065 208 HA ILE 23 HA ILE 23 57.772 17.805 6.202 209 HB ILE 23 HB ILE 23 56.902 14.881 6.479 210 HG12 ILE 23 HG12 ILE 23 55.140 16.165 5.363 211 HG13 ILE 23 HG11 ILE 23 54.661 15.852 7.042 212 HG21 ILE 23 HG21 ILE 23 57.517 17.103 8.431 213 HG22 ILE 23 HG22 ILE 23 57.849 15.364 8.544 214 HG23 ILE 23 HG23 ILE 23 56.202 15.970 8.822 215 HD11 ILE 23 HD1 ILE 23 54.120 18.130 6.743 216 HD12 ILE 23 HD2 ILE 23 55.569 18.451 5.765 217 HD13 ILE 23 HD3 ILE 23 55.713 18.218 7.520 218 H ALA 24 HN ALA 24 59.539 15.965 3.999 219 HA ALA 24 HA ALA 24 62.019 16.303 4.908 220 HB1 ALA 24 HB1 ALA 24 61.927 15.619 7.152 221 HB2 ALA 24 HB2 ALA 24 62.595 14.177 6.367 222 HB3 ALA 24 HB3 ALA 24 60.868 14.236 6.791 223 H TRP 25 HN TRP 25 60.743 15.609 2.628 224 HA TRP 25 HA TRP 25 60.765 14.126 0.819 225 HB2 TRP 25 HB2 TRP 25 63.160 13.371 0.279 226 HB3 TRP 25 HB1 TRP 25 62.895 15.119 0.469 227 HD1 TRP 25 HD1 TRP 25 64.689 12.166 2.012 228 HE1 TRP 25 HE1 TRP 25 66.221 12.965 3.956 229 HE3 TRP 25 HE3 TRP 25 63.077 17.013 2.372 230 HZ2 TRP 25 HZ2 TRP 25 66.663 15.391 5.441 231 HZ3 TRP 25 HZ3 TRP 25 64.070 18.552 4.059 232 HH2 TRP 25 HH2 TRP 25 65.860 17.747 5.592 Start of MODEL 5 1 H1 ALA 1 HT1 ALA 1 46.212 2.803 -7.587 2 H2 ALA 1 HT2 ALA 1 44.607 2.568 -7.079 3 H3 ALA 1 HT3 ALA 1 45.646 3.577 -6.189 4 HA ALA 1 HA ALA 1 45.677 4.537 -8.760 5 HB1 ALA 1 HB1 ALA 1 42.917 3.779 -7.759 6 HB2 ALA 1 HB2 ALA 1 43.673 3.360 -9.313 7 HB3 ALA 1 HB3 ALA 1 43.192 5.042 -8.981 8 H GLY 2 HN GLY 2 43.993 6.643 -8.609 9 HA2 GLY 2 HA1 GLY 2 43.905 7.827 -5.947 10 HA3 GLY 2 HA2 GLY 2 45.236 8.473 -6.942 11 H LYS 3 HN LYS 3 42.019 7.311 -7.812 12 HA LYS 3 HA LYS 3 41.454 10.046 -8.814 13 HB2 LYS 3 HB2 LYS 3 40.177 7.344 -9.370 14 HB3 LYS 3 HB1 LYS 3 39.313 8.854 -9.743 15 HG2 LYS 3 HG2 LYS 3 40.507 8.054 -11.737 16 HG3 LYS 3 HG1 LYS 3 41.230 9.577 -11.166 17 HD2 LYS 3 HD2 LYS 3 43.102 8.449 -10.194 18 HD3 LYS 3 HD1 LYS 3 42.312 6.859 -10.321 19 HE2 LYS 3 HE2 LYS 3 44.039 7.166 -12.083 20 HE3 LYS 3 HE1 LYS 3 42.412 6.991 -12.784 21 HZ1 LYS 3 HZ1 LYS 3 42.776 9.694 -12.266 22 HZ2 LYS 3 HZ2 LYS 3 42.730 8.928 -13.782 23 HZ3 LYS 3 HZ3 LYS 3 44.216 9.165 -12.991 24 H GLU 4 HN GLU 4 40.983 7.801 -6.438 25 HA GLU 4 HA GLU 4 38.677 9.170 -5.222 26 HB2 GLU 4 HB2 GLU 4 40.063 6.725 -4.755 27 HB3 GLU 4 HB1 GLU 4 40.603 7.763 -3.404 28 HG2 GLU 4 HG2 GLU 4 38.592 6.546 -2.723 29 HG3 GLU 4 HG1 GLU 4 38.169 8.264 -2.923 30 H THR 5 HN THR 5 41.911 9.653 -6.161 31 HA THR 5 HA THR 5 43.676 10.688 -4.906 32 HB THR 5 HB THR 5 41.807 13.077 -5.365 33 HG1 THR 5 HG1 THR 5 41.718 12.124 -7.278 34 HG21 THR 5 HG21 THR 5 43.858 13.750 -4.333 35 HG22 THR 5 HG22 THR 5 44.024 14.133 -6.064 36 HG23 THR 5 HG23 THR 5 44.821 12.691 -5.391 37 H ILE 6 HN ILE 6 43.354 9.701 -3.154 38 HA ILE 6 HA ILE 6 43.867 10.674 -0.766 39 HB ILE 6 HB ILE 6 40.924 11.213 -1.305 40 HG12 ILE 6 HG12 ILE 6 42.852 12.948 -0.826 41 HG13 ILE 6 HG11 ILE 6 41.275 13.181 -0.048 42 HG21 ILE 6 HG21 ILE 6 40.620 9.435 0.281 43 HG22 ILE 6 HG22 ILE 6 40.394 10.965 1.155 44 HG23 ILE 6 HG23 ILE 6 41.913 10.059 1.333 45 HD11 ILE 6 HD1 ILE 6 43.326 13.468 1.454 46 HD12 ILE 6 HD2 ILE 6 43.584 11.716 1.304 47 HD13 ILE 6 HD3 ILE 6 42.094 12.335 2.053 48 H ARG 7 HN ARG 7 42.954 8.725 -3.170 49 HA ARG 7 HA ARG 7 41.780 6.408 -1.854 50 HB2 ARG 7 HB2 ARG 7 42.399 6.821 -4.422 51 HB3 ARG 7 HB1 ARG 7 43.940 6.070 -3.977 52 HG2 ARG 7 HG2 ARG 7 42.722 4.099 -3.079 53 HG3 ARG 7 HG1 ARG 7 41.176 4.845 -3.552 54 HD2 ARG 7 HD2 ARG 7 41.828 4.810 -5.907 55 HD3 ARG 7 HD1 ARG 7 43.447 4.206 -5.482 56 HE ARG 7 HE ARG 7 42.440 2.083 -5.614 57 HH11 ARG 7 HH11 ARG 7 39.765 3.886 -5.914 58 HH12 ARG 7 HH12 ARG 7 38.741 2.960 -4.868 59 HH21 ARG 7 HH21 ARG 7 41.340 1.092 -3.538 60 HH22 ARG 7 HH22 ARG 7 39.631 1.378 -3.524 61 H GLN 8 HN GLN 8 44.877 7.797 -2.026 62 HA GLN 8 HA GLN 8 46.176 7.341 0.161 63 HB2 GLN 8 HB2 GLN 8 45.954 4.598 -1.128 64 HB3 GLN 8 HB1 GLN 8 47.470 5.024 -0.317 65 HG2 GLN 8 HG2 GLN 8 46.508 5.116 1.807 66 HG3 GLN 8 HG1 GLN 8 44.899 5.548 1.196 67 HE21 GLN 8 HE21 GLN 8 43.710 3.839 2.202 68 HE22 GLN 8 HE22 GLN 8 43.982 2.140 1.800 69 H TYR 9 HN TYR 9 45.846 7.964 -2.842 70 HA TYR 9 HA TYR 9 48.663 7.840 -3.754 71 HB2 TYR 9 HB2 TYR 9 46.720 7.594 -5.338 72 HB3 TYR 9 HB1 TYR 9 46.272 9.280 -4.977 73 HD1 TYR 9 HD1 TYR 9 48.801 7.072 -6.558 74 HD2 TYR 9 HD2 TYR 9 47.636 11.151 -5.760 75 HE1 TYR 9 HE1 TYR 9 50.469 7.875 -8.224 76 HE2 TYR 9 HE2 TYR 9 49.304 11.953 -7.427 77 HH TYR 9 HH TYR 9 51.831 10.387 -8.274 78 H LEU 10 HN LEU 10 46.444 9.837 -1.991 79 HA LEU 10 HA LEU 10 48.110 12.303 -2.370 80 HB2 LEU 10 HB2 LEU 10 45.445 11.973 -1.893 81 HB3 LEU 10 HB1 LEU 10 46.002 12.117 -0.216 82 HG LEU 10 HG LEU 10 45.354 14.312 -1.055 83 HD11 LEU 10 HD11 LEU 10 47.367 14.077 0.449 84 HD12 LEU 10 HD12 LEU 10 47.342 15.563 -0.528 85 HD13 LEU 10 HD13 LEU 10 48.398 14.212 -0.994 86 HD21 LEU 10 HD21 LEU 10 45.960 15.232 -3.104 87 HD22 LEU 10 HD22 LEU 10 46.074 13.519 -3.557 88 HD23 LEU 10 HD23 LEU 10 47.542 14.427 -3.143 89 H LYS 11 HN LYS 11 48.260 9.454 -0.904 90 HA LYS 11 HA LYS 11 50.076 10.380 1.316 91 HB2 LYS 11 HB2 LYS 11 48.096 8.082 1.305 92 HB3 LYS 11 HB1 LYS 11 49.289 8.409 2.581 93 HG2 LYS 11 HG2 LYS 11 48.231 10.629 2.985 94 HG3 LYS 11 HG1 LYS 11 47.027 10.274 1.723 95 HD2 LYS 11 HD2 LYS 11 46.144 8.406 2.985 96 HD3 LYS 11 HD1 LYS 11 47.462 8.521 4.176 97 HE2 LYS 11 HE2 LYS 11 46.669 10.763 4.854 98 HE3 LYS 11 HE1 LYS 11 45.360 10.670 3.651 99 HZ1 LYS 11 HZ1 LYS 11 45.593 9.390 6.240 100 HZ2 LYS 11 HZ2 LYS 11 45.047 8.366 4.999 101 HZ3 LYS 11 HZ3 LYS 11 44.209 9.800 5.349 102 H ASN 12 HN ASN 12 49.727 8.896 -1.617 103 HA ASN 12 HA ASN 12 51.013 7.258 -2.647 104 HB2 ASN 12 HB2 ASN 12 52.677 9.005 -2.305 105 HB3 ASN 12 HB1 ASN 12 53.083 8.298 -0.727 106 HD21 ASN 12 HD21 ASN 12 55.332 8.017 -1.677 107 HD22 ASN 12 HD22 ASN 12 55.627 6.621 -2.717 108 H GLU 13 HN GLU 13 49.664 6.723 0.147 109 HA GLU 13 HA GLU 13 49.309 4.770 1.385 110 HB2 GLU 13 HB2 GLU 13 50.095 3.649 -0.895 111 HB3 GLU 13 HB1 GLU 13 51.592 3.322 0.006 112 HG2 GLU 13 HG2 GLU 13 50.273 2.194 1.785 113 HG3 GLU 13 HG1 GLU 13 48.781 2.499 0.864 114 H ILE 14 HN ILE 14 51.968 6.603 1.088 115 HA ILE 14 HA ILE 14 53.302 5.810 3.637 116 HB ILE 14 HB ILE 14 55.188 6.994 1.900 117 HG12 ILE 14 HG12 ILE 14 53.738 4.646 0.666 118 HG13 ILE 14 HG11 ILE 14 53.884 6.294 0.032 119 HG21 ILE 14 HG21 ILE 14 55.128 4.053 2.630 120 HG22 ILE 14 HG22 ILE 14 55.530 5.297 3.829 121 HG23 ILE 14 HG23 ILE 14 56.543 5.103 2.389 122 HD11 ILE 14 HD1 ILE 14 55.529 5.091 -1.173 123 HD12 ILE 14 HD2 ILE 14 56.038 4.186 0.271 124 HD13 ILE 14 HD3 ILE 14 56.449 5.912 0.111 125 H LYS 15 HN LYS 15 51.930 8.465 1.795 126 HA LYS 15 HA LYS 15 52.055 10.656 2.557 127 HB2 LYS 15 HB2 LYS 15 52.853 9.744 5.308 128 HB3 LYS 15 HB1 LYS 15 51.890 11.146 4.854 129 HG2 LYS 15 HG2 LYS 15 49.995 9.803 4.325 130 HG3 LYS 15 HG1 LYS 15 50.923 8.294 4.477 131 HD2 LYS 15 HD2 LYS 15 51.210 8.621 6.854 132 HD3 LYS 15 HD1 LYS 15 50.547 10.270 6.761 133 HE2 LYS 15 HE2 LYS 15 48.348 9.429 6.180 134 HE3 LYS 15 HE1 LYS 15 48.973 7.771 6.010 135 HZ1 LYS 15 HZ1 LYS 15 49.156 7.514 8.255 136 HZ2 LYS 15 HZ2 LYS 15 47.829 8.574 8.213 137 HZ3 LYS 15 HZ3 LYS 15 49.383 9.166 8.561 138 H LYS 16 HN LYS 16 53.790 8.828 1.221 139 HA LYS 16 HA LYS 16 56.081 8.724 0.628 140 HB2 LYS 16 HB2 LYS 16 55.463 11.186 0.306 141 HB3 LYS 16 HB1 LYS 16 56.186 11.443 1.889 142 HG2 LYS 16 HG2 LYS 16 58.039 11.888 0.495 143 HG3 LYS 16 HG1 LYS 16 58.279 10.158 0.808 144 HD2 LYS 16 HD2 LYS 16 57.115 9.604 -1.307 145 HD3 LYS 16 HD1 LYS 16 56.854 11.337 -1.619 146 HE2 LYS 16 HE2 LYS 16 59.369 11.645 -1.504 147 HE3 LYS 16 HE1 LYS 16 59.519 9.873 -1.444 148 HZ1 LYS 16 HZ1 LYS 16 58.489 9.684 -3.558 149 HZ2 LYS 16 HZ2 LYS 16 59.690 10.877 -3.710 150 HZ3 LYS 16 HZ3 LYS 16 58.054 11.323 -3.588 151 H LYS 17 HN LYS 17 54.868 8.034 3.278 152 HA LYS 17 HA LYS 17 55.748 7.111 5.240 153 HB2 LYS 17 HB2 LYS 17 58.043 7.067 3.933 154 HB3 LYS 17 HB1 LYS 17 58.424 8.491 4.918 155 HG2 LYS 17 HG2 LYS 17 59.252 6.752 6.263 156 HG3 LYS 17 HG1 LYS 17 57.636 7.010 6.951 157 HD2 LYS 17 HD2 LYS 17 56.745 5.076 5.831 158 HD3 LYS 17 HD1 LYS 17 58.182 4.923 4.792 159 HE2 LYS 17 HE2 LYS 17 59.568 4.417 6.772 160 HE3 LYS 17 HE1 LYS 17 58.144 4.597 7.824 161 HZ1 LYS 17 HZ1 LYS 17 58.594 2.555 5.709 162 HZ2 LYS 17 HZ2 LYS 17 57.084 2.816 6.445 163 HZ3 LYS 17 HZ3 LYS 17 58.408 2.299 7.376 164 H GLY 18 HN GLY 18 54.401 9.932 4.803 165 HA2 GLY 18 HA1 GLY 18 54.192 10.809 7.411 166 HA3 GLY 18 HA2 GLY 18 55.839 11.392 7.061 167 H ARG 19 HN ARG 19 53.830 11.308 4.373 168 HA ARG 19 HA ARG 19 52.959 13.051 3.158 169 HB2 ARG 19 HB2 ARG 19 52.149 13.797 5.721 170 HB3 ARG 19 HB1 ARG 19 53.251 15.133 5.318 171 HG2 ARG 19 HG2 ARG 19 51.991 15.596 3.259 172 HG3 ARG 19 HG1 ARG 19 50.932 14.198 3.559 173 HD2 ARG 19 HD2 ARG 19 49.716 16.112 4.333 174 HD3 ARG 19 HD1 ARG 19 50.329 15.307 5.796 175 HE ARG 19 HE ARG 19 51.711 17.190 6.182 176 HH11 ARG 19 HH11 ARG 19 49.587 18.724 4.634 177 HH12 ARG 19 HH12 ARG 19 50.562 19.607 3.508 178 HH21 ARG 19 HH21 ARG 19 53.381 17.648 4.006 179 HH22 ARG 19 HH22 ARG 19 52.710 18.999 3.152 180 H LYS 20 HN LYS 20 55.766 12.197 4.348 181 HA LYS 20 HA LYS 20 57.494 14.406 4.342 182 HB2 LYS 20 HB2 LYS 20 58.080 11.867 2.928 183 HB3 LYS 20 HB1 LYS 20 59.112 13.321 3.063 184 HG2 LYS 20 HG2 LYS 20 58.670 12.952 5.713 185 HG3 LYS 20 HG1 LYS 20 58.353 11.277 5.210 186 HD2 LYS 20 HD2 LYS 20 60.894 12.762 4.409 187 HD3 LYS 20 HD1 LYS 20 60.762 11.836 5.916 188 HE2 LYS 20 HE2 LYS 20 59.947 10.479 3.340 189 HE3 LYS 20 HE1 LYS 20 61.680 10.680 3.692 190 HZ1 LYS 20 HZ1 LYS 20 61.544 9.386 5.566 191 HZ2 LYS 20 HZ2 LYS 20 60.424 8.605 4.553 192 HZ3 LYS 20 HZ3 LYS 20 59.881 9.643 5.784 193 H ALA 21 HN ALA 21 55.654 12.813 1.934 194 HA ALA 21 HA ALA 21 56.962 13.780 -0.404 195 HB1 ALA 21 HB1 ALA 21 54.237 13.211 0.433 196 HB2 ALA 21 HB2 ALA 21 54.978 12.895 -1.154 197 HB3 ALA 21 HB3 ALA 21 54.266 14.480 -0.795 198 H VAL 22 HN VAL 22 57.110 15.073 1.970 199 HA VAL 22 HA VAL 22 57.890 17.584 1.365 200 HB VAL 22 HB VAL 22 54.924 17.710 1.275 201 HG11 VAL 22 HG11 VAL 22 55.113 18.678 3.517 202 HG12 VAL 22 HG12 VAL 22 54.728 19.958 2.342 203 HG13 VAL 22 HG13 VAL 22 56.387 19.790 2.960 204 HG21 VAL 22 HG21 VAL 22 56.875 19.934 0.565 205 HG22 VAL 22 HG22 VAL 22 55.299 19.555 -0.171 206 HG23 VAL 22 HG23 VAL 22 56.699 18.497 -0.464 207 H ILE 23 HN ILE 23 56.330 15.732 4.118 208 HA ILE 23 HA ILE 23 57.463 17.788 5.875 209 HB ILE 23 HB ILE 23 56.791 14.842 6.425 210 HG12 ILE 23 HG12 ILE 23 55.711 17.510 7.457 211 HG13 ILE 23 HG11 ILE 23 54.946 16.521 6.199 212 HG21 ILE 23 HG21 ILE 23 57.291 15.610 8.886 213 HG22 ILE 23 HG22 ILE 23 58.251 16.894 8.134 214 HG23 ILE 23 HG23 ILE 23 58.666 15.187 7.851 215 HD11 ILE 23 HD1 ILE 23 55.258 14.684 8.308 216 HD12 ILE 23 HD2 ILE 23 53.759 15.558 7.925 217 HD13 ILE 23 HD3 ILE 23 54.874 16.196 9.156 218 H ALA 24 HN ALA 24 58.852 16.030 3.377 219 HA ALA 24 HA ALA 24 61.396 16.808 3.611 220 HB1 ALA 24 HB1 ALA 24 62.625 14.807 4.877 221 HB2 ALA 24 HB2 ALA 24 61.078 14.703 5.746 222 HB3 ALA 24 HB3 ALA 24 62.022 16.210 5.782 223 H TRP 25 HN TRP 25 59.660 15.807 1.794 224 HA TRP 25 HA TRP 25 59.400 14.168 0.096 225 HB2 TRP 25 HB2 TRP 25 60.981 15.966 -0.658 226 HB3 TRP 25 HB1 TRP 25 62.334 14.904 -0.202 227 HD1 TRP 25 HD1 TRP 25 59.115 14.640 -2.365 228 HE1 TRP 25 HE1 TRP 25 59.644 13.232 -4.486 229 HE3 TRP 25 HE3 TRP 25 64.008 13.500 -1.378 230 HZ2 TRP 25 HZ2 TRP 25 61.901 11.816 -5.579 231 HZ3 TRP 25 HZ3 TRP 25 65.329 12.119 -2.975 232 HH2 TRP 25 HH2 TRP 25 64.282 11.276 -5.071 Start of MODEL 6 1 H1 ALA 1 HT1 ALA 1 41.068 2.085 -5.953 2 H2 ALA 1 HT2 ALA 1 42.686 2.492 -5.636 3 H3 ALA 1 HT3 ALA 1 42.257 1.797 -7.126 4 HA ALA 1 HA ALA 1 41.785 3.721 -8.008 5 HB1 ALA 1 HB1 ALA 1 40.191 5.273 -6.963 6 HB2 ALA 1 HB2 ALA 1 40.256 4.314 -5.460 7 HB3 ALA 1 HB3 ALA 1 39.588 3.597 -6.945 8 H GLY 2 HN GLY 2 41.604 6.253 -7.079 9 HA2 GLY 2 HA1 GLY 2 43.518 7.121 -5.171 10 HA3 GLY 2 HA2 GLY 2 44.276 6.957 -6.793 11 H LYS 3 HN LYS 3 41.806 7.324 -7.874 12 HA LYS 3 HA LYS 3 41.876 10.273 -7.792 13 HB2 LYS 3 HB2 LYS 3 41.443 9.061 -10.025 14 HB3 LYS 3 HB1 LYS 3 39.882 8.544 -9.342 15 HG2 LYS 3 HG2 LYS 3 39.183 10.872 -9.064 16 HG3 LYS 3 HG1 LYS 3 40.777 11.447 -9.610 17 HD2 LYS 3 HD2 LYS 3 40.418 10.431 -11.821 18 HD3 LYS 3 HD1 LYS 3 38.850 9.779 -11.286 19 HE2 LYS 3 HE2 LYS 3 38.541 11.869 -12.576 20 HE3 LYS 3 HE1 LYS 3 38.028 12.083 -10.886 21 HZ1 LYS 3 HZ1 LYS 3 39.705 13.500 -10.472 22 HZ2 LYS 3 HZ2 LYS 3 39.712 13.723 -12.156 23 HZ3 LYS 3 HZ3 LYS 3 40.823 12.661 -11.433 24 H GLU 4 HN GLU 4 40.724 7.723 -6.244 25 HA GLU 4 HA GLU 4 38.335 8.933 -5.085 26 HB2 GLU 4 HB2 GLU 4 39.243 6.398 -5.072 27 HB3 GLU 4 HB1 GLU 4 40.193 6.979 -3.676 28 HG2 GLU 4 HG2 GLU 4 37.872 7.899 -2.812 29 HG3 GLU 4 HG1 GLU 4 37.158 6.803 -4.016 30 H THR 5 HN THR 5 41.728 9.162 -5.310 31 HA THR 5 HA THR 5 43.291 9.861 -3.699 32 HB THR 5 HB THR 5 41.660 12.429 -4.110 33 HG1 THR 5 HG1 THR 5 43.710 11.322 -5.736 34 HG21 THR 5 HG21 THR 5 44.545 11.841 -3.365 35 HG22 THR 5 HG22 THR 5 43.393 12.965 -2.601 36 HG23 THR 5 HG23 THR 5 44.102 13.358 -4.182 37 H ILE 6 HN ILE 6 42.605 8.616 -2.318 38 HA ILE 6 HA ILE 6 42.747 9.390 0.318 39 HB ILE 6 HB ILE 6 40.305 10.278 -0.098 40 HG12 ILE 6 HG12 ILE 6 40.752 8.102 1.993 41 HG13 ILE 6 HG11 ILE 6 41.274 9.796 2.143 42 HG21 ILE 6 HG21 ILE 6 39.799 8.097 -1.482 43 HG22 ILE 6 HG22 ILE 6 38.539 8.745 -0.407 44 HG23 ILE 6 HG23 ILE 6 39.520 7.352 0.108 45 HD11 ILE 6 HD1 ILE 6 38.427 8.734 1.966 46 HD12 ILE 6 HD2 ILE 6 38.830 10.457 1.770 47 HD13 ILE 6 HD3 ILE 6 39.175 9.630 3.308 48 H ARG 7 HN ARG 7 42.392 7.610 -2.470 49 HA ARG 7 HA ARG 7 42.268 4.971 -0.934 50 HB2 ARG 7 HB2 ARG 7 40.920 4.993 -2.948 51 HB3 ARG 7 HB1 ARG 7 42.286 5.546 -3.934 52 HG2 ARG 7 HG2 ARG 7 41.632 3.030 -4.029 53 HG3 ARG 7 HG1 ARG 7 43.345 3.400 -3.826 54 HD2 ARG 7 HD2 ARG 7 42.440 1.569 -2.315 55 HD3 ARG 7 HD1 ARG 7 43.240 2.898 -1.451 56 HE ARG 7 HE ARG 7 41.154 3.387 -0.460 57 HH11 ARG 7 HH11 ARG 7 40.828 1.240 -3.127 58 HH12 ARG 7 HH12 ARG 7 39.098 1.196 -3.055 59 HH21 ARG 7 HH21 ARG 7 38.880 3.479 -0.456 60 HH22 ARG 7 HH22 ARG 7 37.996 2.463 -1.545 61 H GLN 8 HN GLN 8 44.220 6.471 -0.141 62 HA GLN 8 HA GLN 8 46.449 6.364 0.332 63 HB2 GLN 8 HB2 GLN 8 46.686 4.017 -1.591 64 HB3 GLN 8 HB1 GLN 8 47.790 4.457 -0.276 65 HG2 GLN 8 HG2 GLN 8 46.041 4.026 1.393 66 HG3 GLN 8 HG1 GLN 8 44.874 3.655 0.102 67 HE21 GLN 8 HE21 GLN 8 46.827 2.147 2.336 68 HE22 GLN 8 HE22 GLN 8 47.153 0.649 1.459 69 H TYR 9 HN TYR 9 45.174 7.478 -2.329 70 HA TYR 9 HA TYR 9 47.828 7.994 -3.682 71 HB2 TYR 9 HB2 TYR 9 45.866 7.263 -5.096 72 HB3 TYR 9 HB1 TYR 9 45.060 8.779 -4.649 73 HD1 TYR 9 HD1 TYR 9 45.905 10.953 -5.424 74 HD2 TYR 9 HD2 TYR 9 47.846 7.264 -6.543 75 HE1 TYR 9 HE1 TYR 9 47.178 12.161 -7.192 76 HE2 TYR 9 HE2 TYR 9 49.118 8.472 -8.313 77 HH TYR 9 HH TYR 9 49.619 10.497 -9.179 78 H LEU 10 HN LEU 10 45.720 9.119 -1.342 79 HA LEU 10 HA LEU 10 46.334 12.025 -1.794 80 HB2 LEU 10 HB2 LEU 10 44.097 11.439 -0.947 81 HB3 LEU 10 HB1 LEU 10 44.811 10.542 0.404 82 HG LEU 10 HG LEU 10 45.767 13.382 0.182 83 HD11 LEU 10 HD11 LEU 10 43.624 14.228 1.304 84 HD12 LEU 10 HD12 LEU 10 42.845 12.733 0.732 85 HD13 LEU 10 HD13 LEU 10 43.509 13.895 -0.438 86 HD21 LEU 10 HD21 LEU 10 45.598 13.322 2.578 87 HD22 LEU 10 HD22 LEU 10 46.179 11.710 2.102 88 HD23 LEU 10 HD23 LEU 10 44.474 11.943 2.540 89 H LYS 11 HN LYS 11 47.601 9.235 -0.631 90 HA LYS 11 HA LYS 11 49.509 10.550 1.292 91 HB2 LYS 11 HB2 LYS 11 48.278 7.788 1.186 92 HB3 LYS 11 HB1 LYS 11 49.688 8.183 2.187 93 HG2 LYS 11 HG2 LYS 11 48.354 9.974 3.313 94 HG3 LYS 11 HG1 LYS 11 46.941 9.492 2.345 95 HD2 LYS 11 HD2 LYS 11 47.240 7.137 3.294 96 HD3 LYS 11 HD1 LYS 11 48.417 7.838 4.430 97 HE2 LYS 11 HE2 LYS 11 45.511 8.712 4.121 98 HE3 LYS 11 HE1 LYS 11 46.162 7.722 5.449 99 HZ1 LYS 11 HZ1 LYS 11 45.995 10.100 6.005 100 HZ2 LYS 11 HZ2 LYS 11 47.096 10.465 4.764 101 HZ3 LYS 11 HZ3 LYS 11 47.589 9.526 6.092 102 H ASN 12 HN ASN 12 48.960 7.886 -0.837 103 HA ASN 12 HA ASN 12 50.293 7.292 -2.695 104 HB2 ASN 12 HB2 ASN 12 52.725 8.403 -1.285 105 HB3 ASN 12 HB1 ASN 12 52.645 7.742 -2.924 106 HD21 ASN 12 HD21 ASN 12 49.745 9.400 -2.376 107 HD22 ASN 12 HD22 ASN 12 50.208 10.951 -3.085 108 H GLU 13 HN GLU 13 49.467 6.573 0.081 109 HA GLU 13 HA GLU 13 49.485 4.599 1.336 110 HB2 GLU 13 HB2 GLU 13 50.108 3.584 -1.032 111 HB3 GLU 13 HB1 GLU 13 51.738 3.452 -0.341 112 HG2 GLU 13 HG2 GLU 13 50.695 2.236 1.638 113 HG3 GLU 13 HG1 GLU 13 49.171 2.194 0.718 114 H ILE 14 HN ILE 14 51.556 6.898 0.984 115 HA ILE 14 HA ILE 14 53.251 6.311 3.328 116 HB ILE 14 HB ILE 14 55.050 7.417 1.481 117 HG12 ILE 14 HG12 ILE 14 53.703 4.979 0.293 118 HG13 ILE 14 HG11 ILE 14 53.649 6.631 -0.333 119 HG21 ILE 14 HG21 ILE 14 56.413 5.501 1.926 120 HG22 ILE 14 HG22 ILE 14 54.993 4.498 2.298 121 HG23 ILE 14 HG23 ILE 14 55.489 5.790 3.413 122 HD11 ILE 14 HD1 ILE 14 56.267 6.483 -0.321 123 HD12 ILE 14 HD2 ILE 14 55.367 5.667 -1.619 124 HD13 ILE 14 HD3 ILE 14 55.987 4.726 -0.245 125 H LYS 15 HN LYS 15 51.441 8.649 1.396 126 HA LYS 15 HA LYS 15 51.600 10.950 1.871 127 HB2 LYS 15 HB2 LYS 15 52.401 11.168 4.504 128 HB3 LYS 15 HB1 LYS 15 50.767 11.298 3.940 129 HG2 LYS 15 HG2 LYS 15 50.807 8.646 4.135 130 HG3 LYS 15 HG1 LYS 15 52.169 8.941 5.231 131 HD2 LYS 15 HD2 LYS 15 50.624 10.645 6.409 132 HD3 LYS 15 HD1 LYS 15 49.300 9.890 5.493 133 HE2 LYS 15 HE2 LYS 15 51.116 8.630 7.577 134 HE3 LYS 15 HE1 LYS 15 49.338 8.710 7.558 135 HZ1 LYS 15 HZ1 LYS 15 51.085 6.785 6.363 136 HZ2 LYS 15 HZ2 LYS 15 50.009 7.438 5.223 137 HZ3 LYS 15 HZ3 LYS 15 49.413 6.703 6.634 138 H LYS 16 HN LYS 16 53.387 9.273 0.717 139 HA LYS 16 HA LYS 16 55.614 9.165 0.062 140 HB2 LYS 16 HB2 LYS 16 55.153 12.096 0.679 141 HB3 LYS 16 HB1 LYS 16 56.729 11.501 0.092 142 HG2 LYS 16 HG2 LYS 16 54.140 10.776 -1.362 143 HG3 LYS 16 HG1 LYS 16 54.950 12.309 -1.708 144 HD2 LYS 16 HD2 LYS 16 57.104 10.784 -2.054 145 HD3 LYS 16 HD1 LYS 16 55.916 9.478 -2.229 146 HE2 LYS 16 HE2 LYS 16 54.738 10.984 -3.953 147 HE3 LYS 16 HE1 LYS 16 56.211 11.981 -3.924 148 HZ1 LYS 16 HZ1 LYS 16 56.039 10.089 -5.630 149 HZ2 LYS 16 HZ2 LYS 16 56.366 9.053 -4.322 150 HZ3 LYS 16 HZ3 LYS 16 57.486 10.253 -4.761 151 H LYS 17 HN LYS 17 54.726 8.528 2.689 152 HA LYS 17 HA LYS 17 55.692 7.803 4.616 153 HB2 LYS 17 HB2 LYS 17 58.179 9.422 3.948 154 HB3 LYS 17 HB1 LYS 17 58.012 8.210 5.226 155 HG2 LYS 17 HG2 LYS 17 57.754 6.429 3.653 156 HG3 LYS 17 HG1 LYS 17 57.518 7.556 2.298 157 HD2 LYS 17 HD2 LYS 17 59.829 8.326 2.473 158 HD3 LYS 17 HD1 LYS 17 60.083 7.336 3.930 159 HE2 LYS 17 HE2 LYS 17 59.269 6.169 1.238 160 HE3 LYS 17 HE1 LYS 17 60.960 6.310 1.770 161 HZ1 LYS 17 HZ1 LYS 17 59.373 4.207 2.292 162 HZ2 LYS 17 HZ2 LYS 17 59.164 5.121 3.709 163 HZ3 LYS 17 HZ3 LYS 17 60.721 4.641 3.227 164 H GLY 18 HN GLY 18 53.996 10.455 4.127 165 HA2 GLY 18 HA1 GLY 18 53.433 11.547 6.475 166 HA3 GLY 18 HA2 GLY 18 55.166 11.889 6.603 167 H ARG 19 HN ARG 19 53.408 12.167 3.556 168 HA ARG 19 HA ARG 19 53.448 13.995 2.146 169 HB2 ARG 19 HB2 ARG 19 52.894 15.261 4.851 170 HB3 ARG 19 HB1 ARG 19 53.436 16.333 3.544 171 HG2 ARG 19 HG2 ARG 19 51.161 14.369 3.049 172 HG3 ARG 19 HG1 ARG 19 50.840 15.894 3.903 173 HD2 ARG 19 HD2 ARG 19 51.498 17.215 2.040 174 HD3 ARG 19 HD1 ARG 19 52.326 15.853 1.249 175 HE ARG 19 HE ARG 19 49.603 15.122 1.503 176 HH11 ARG 19 HH11 ARG 19 51.790 17.026 -0.316 177 HH12 ARG 19 HH12 ARG 19 50.630 17.466 -1.523 178 HH21 ARG 19 HH21 ARG 19 47.981 15.899 0.075 179 HH22 ARG 19 HH22 ARG 19 48.472 16.828 -1.302 180 H LYS 20 HN LYS 20 55.650 12.560 3.752 181 HA LYS 20 HA LYS 20 57.544 14.602 4.438 182 HB2 LYS 20 HB2 LYS 20 58.195 11.876 3.567 183 HB3 LYS 20 HB1 LYS 20 59.360 13.211 3.844 184 HG2 LYS 20 HG2 LYS 20 58.544 13.457 6.183 185 HG3 LYS 20 HG1 LYS 20 57.419 12.115 5.951 186 HD2 LYS 20 HD2 LYS 20 59.300 10.565 5.601 187 HD3 LYS 20 HD1 LYS 20 60.450 11.915 5.709 188 HE2 LYS 20 HE2 LYS 20 60.190 10.566 7.846 189 HE3 LYS 20 HE1 LYS 20 59.883 12.309 8.025 190 HZ1 LYS 20 HZ1 LYS 20 57.516 11.878 7.833 191 HZ2 LYS 20 HZ2 LYS 20 58.174 10.972 9.110 192 HZ3 LYS 20 HZ3 LYS 20 57.797 10.218 7.634 193 H ALA 21 HN ALA 21 56.601 13.049 1.578 194 HA ALA 21 HA ALA 21 58.843 13.788 -0.047 195 HB1 ALA 21 HB1 ALA 21 56.923 14.783 -1.669 196 HB2 ALA 21 HB2 ALA 21 55.928 13.959 -0.468 197 HB3 ALA 21 HB3 ALA 21 57.122 13.045 -1.419 198 H VAL 22 HN VAL 22 58.216 15.205 2.177 199 HA VAL 22 HA VAL 22 59.503 17.596 1.822 200 HB VAL 22 HB VAL 22 57.718 18.539 0.378 201 HG11 VAL 22 HG11 VAL 22 55.978 18.042 2.828 202 HG12 VAL 22 HG12 VAL 22 55.819 17.269 1.231 203 HG13 VAL 22 HG13 VAL 22 55.481 19.006 1.417 204 HG21 VAL 22 HG21 VAL 22 57.464 20.653 1.483 205 HG22 VAL 22 HG22 VAL 22 59.017 19.989 2.044 206 HG23 VAL 22 HG23 VAL 22 57.582 19.905 3.094 207 H ILE 23 HN ILE 23 56.873 16.127 3.959 208 HA ILE 23 HA ILE 23 57.830 17.928 6.043 209 HB ILE 23 HB ILE 23 56.800 15.070 6.455 210 HG12 ILE 23 HG12 ILE 23 55.119 16.328 5.212 211 HG13 ILE 23 HG11 ILE 23 54.590 16.191 6.896 212 HG21 ILE 23 HG21 ILE 23 57.717 15.659 8.510 213 HG22 ILE 23 HG22 ILE 23 56.077 16.315 8.700 214 HG23 ILE 23 HG23 ILE 23 57.427 17.396 8.284 215 HD11 ILE 23 HD1 ILE 23 55.742 18.529 7.202 216 HD12 ILE 23 HD2 ILE 23 54.177 18.458 6.369 217 HD13 ILE 23 HD3 ILE 23 55.677 18.615 5.427 218 H ALA 24 HN ALA 24 59.572 15.939 3.979 219 HA ALA 24 HA ALA 24 62.032 16.165 4.976 220 HB1 ALA 24 HB1 ALA 24 61.811 15.519 7.223 221 HB2 ALA 24 HB2 ALA 24 62.438 14.036 6.483 222 HB3 ALA 24 HB3 ALA 24 60.701 14.187 6.833 223 H TRP 25 HN TRP 25 60.824 15.508 2.650 224 HA TRP 25 HA TRP 25 61.061 14.135 0.790 225 HB2 TRP 25 HB2 TRP 25 63.451 14.607 1.191 226 HB3 TRP 25 HB1 TRP 25 63.545 13.207 2.287 227 HD1 TRP 25 HD1 TRP 25 62.179 13.757 -1.314 228 HE1 TRP 25 HE1 TRP 25 62.980 11.796 -2.821 229 HE3 TRP 25 HE3 TRP 25 64.848 11.106 2.160 230 HZ2 TRP 25 HZ2 TRP 25 64.567 9.411 -2.527 231 HZ3 TRP 25 HZ3 TRP 25 65.996 8.990 1.525 232 HH2 TRP 25 HH2 TRP 25 65.858 8.141 -0.814 Start of MODEL 7 1 H1 ALA 1 HT1 ALA 1 41.211 3.720 -7.346 2 H2 ALA 1 HT2 ALA 1 42.631 2.799 -7.487 3 H3 ALA 1 HT3 ALA 1 41.492 2.811 -8.748 4 HA ALA 1 HA ALA 1 43.649 4.239 -8.836 5 HB1 ALA 1 HB1 ALA 1 42.555 5.602 -10.462 6 HB2 ALA 1 HB2 ALA 1 40.973 5.398 -9.671 7 HB3 ALA 1 HB3 ALA 1 41.739 4.021 -10.501 8 H GLY 2 HN GLY 2 44.351 6.388 -8.501 9 HA2 GLY 2 HA1 GLY 2 43.394 7.514 -5.935 10 HA3 GLY 2 HA2 GLY 2 44.807 8.042 -6.886 11 H LYS 3 HN LYS 3 41.472 7.531 -7.835 12 HA LYS 3 HA LYS 3 41.325 10.438 -8.415 13 HB2 LYS 3 HB2 LYS 3 40.597 8.398 -10.099 14 HB3 LYS 3 HB1 LYS 3 39.065 8.619 -9.229 15 HG2 LYS 3 HG2 LYS 3 40.609 10.781 -10.737 16 HG3 LYS 3 HG1 LYS 3 39.105 9.995 -11.272 17 HD2 LYS 3 HD2 LYS 3 38.118 10.842 -8.991 18 HD3 LYS 3 HD1 LYS 3 39.528 11.930 -8.969 19 HE2 LYS 3 HE2 LYS 3 37.338 11.775 -11.078 20 HE3 LYS 3 HE1 LYS 3 37.726 13.144 -10.009 21 HZ1 LYS 3 HZ1 LYS 3 39.730 12.043 -11.891 22 HZ2 LYS 3 HZ2 LYS 3 39.692 13.571 -11.151 23 HZ3 LYS 3 HZ3 LYS 3 38.597 13.199 -12.396 24 H GLU 4 HN GLU 4 40.481 7.947 -6.422 25 HA GLU 4 HA GLU 4 38.320 9.397 -5.060 26 HB2 GLU 4 HB2 GLU 4 40.252 7.395 -3.766 27 HB3 GLU 4 HB1 GLU 4 38.527 7.703 -3.394 28 HG2 GLU 4 HG2 GLU 4 39.606 6.343 -5.901 29 HG3 GLU 4 HG1 GLU 4 38.685 5.577 -4.587 30 H THR 5 HN THR 5 41.644 9.583 -5.851 31 HA THR 5 HA THR 5 43.465 10.297 -4.484 32 HB THR 5 HB THR 5 41.969 12.962 -4.536 33 HG1 THR 5 HG1 THR 5 41.485 11.910 -6.485 34 HG21 THR 5 HG21 THR 5 44.110 13.890 -4.991 35 HG22 THR 5 HG22 THR 5 44.778 12.319 -5.493 36 HG23 THR 5 HG23 THR 5 44.428 12.629 -3.776 37 H ILE 6 HN ILE 6 42.650 9.055 -3.010 38 HA ILE 6 HA ILE 6 43.165 9.822 -0.418 39 HB ILE 6 HB ILE 6 40.701 10.865 -0.777 40 HG12 ILE 6 HG12 ILE 6 40.114 9.975 1.641 41 HG13 ILE 6 HG11 ILE 6 41.702 9.182 1.555 42 HG21 ILE 6 HG21 ILE 6 39.873 8.048 -0.009 43 HG22 ILE 6 HG22 ILE 6 39.950 8.537 -1.714 44 HG23 ILE 6 HG23 ILE 6 38.866 9.392 -0.596 45 HD11 ILE 6 HD1 ILE 6 41.649 11.501 2.646 46 HD12 ILE 6 HD2 ILE 6 41.323 12.164 1.030 47 HD13 ILE 6 HD3 ILE 6 42.842 11.292 1.348 48 H ARG 7 HN ARG 7 42.734 8.062 -3.126 49 HA ARG 7 HA ARG 7 42.030 5.433 -1.874 50 HB2 ARG 7 HB2 ARG 7 41.896 6.073 -4.441 51 HB3 ARG 7 HB1 ARG 7 43.625 5.709 -4.458 52 HG2 ARG 7 HG2 ARG 7 42.563 3.667 -5.062 53 HG3 ARG 7 HG1 ARG 7 43.014 3.462 -3.360 54 HD2 ARG 7 HD2 ARG 7 40.394 4.616 -3.311 55 HD3 ARG 7 HD1 ARG 7 40.350 3.344 -4.552 56 HE ARG 7 HE ARG 7 41.681 2.326 -2.232 57 HH11 ARG 7 HH11 ARG 7 38.622 3.633 -3.107 58 HH12 ARG 7 HH12 ARG 7 37.715 2.492 -2.171 59 HH21 ARG 7 HH21 ARG 7 40.510 0.729 -1.122 60 HH22 ARG 7 HH22 ARG 7 38.784 0.848 -1.047 61 H GLN 8 HN GLN 8 44.064 7.120 -0.666 62 HA GLN 8 HA GLN 8 45.980 6.809 0.464 63 HB2 GLN 8 HB2 GLN 8 46.514 4.180 -0.988 64 HB3 GLN 8 HB1 GLN 8 47.183 4.747 0.552 65 HG2 GLN 8 HG2 GLN 8 44.314 3.866 0.013 66 HG3 GLN 8 HG1 GLN 8 45.506 3.098 1.081 67 HE21 GLN 8 HE21 GLN 8 46.120 4.250 3.096 68 HE22 GLN 8 HE22 GLN 8 45.025 5.465 3.766 69 H TYR 9 HN TYR 9 45.203 7.641 -2.318 70 HA TYR 9 HA TYR 9 47.954 7.752 -3.530 71 HB2 TYR 9 HB2 TYR 9 45.892 7.262 -4.950 72 HB3 TYR 9 HB1 TYR 9 45.351 8.916 -4.592 73 HD1 TYR 9 HD1 TYR 9 47.736 6.845 -6.468 74 HD2 TYR 9 HD2 TYR 9 46.693 10.882 -5.355 75 HE1 TYR 9 HE1 TYR 9 49.218 7.724 -8.269 76 HE2 TYR 9 HE2 TYR 9 48.173 11.762 -7.156 77 HH TYR 9 HH TYR 9 49.962 11.114 -8.579 78 H LEU 10 HN LEU 10 45.614 9.377 -1.585 79 HA LEU 10 HA LEU 10 46.886 12.063 -1.954 80 HB2 LEU 10 HB2 LEU 10 44.387 11.650 -1.368 81 HB3 LEU 10 HB1 LEU 10 44.959 11.226 0.255 82 HG LEU 10 HG LEU 10 46.258 13.565 0.069 83 HD11 LEU 10 HD11 LEU 10 44.934 15.237 -1.210 84 HD12 LEU 10 HD12 LEU 10 43.924 13.926 -1.863 85 HD13 LEU 10 HD13 LEU 10 45.651 14.014 -2.284 86 HD21 LEU 10 HD21 LEU 10 44.347 14.691 1.122 87 HD22 LEU 10 HD22 LEU 10 44.447 13.013 1.706 88 HD23 LEU 10 HD23 LEU 10 43.237 13.459 0.478 89 H LYS 11 HN LYS 11 47.459 9.153 -0.580 90 HA LYS 11 HA LYS 11 49.408 10.252 1.439 91 HB2 LYS 11 HB2 LYS 11 47.773 7.704 1.707 92 HB3 LYS 11 HB1 LYS 11 48.946 8.357 2.871 93 HG2 LYS 11 HG2 LYS 11 47.536 10.304 3.285 94 HG3 LYS 11 HG1 LYS 11 46.411 9.808 1.997 95 HD2 LYS 11 HD2 LYS 11 45.953 7.694 3.267 96 HD3 LYS 11 HD1 LYS 11 46.986 8.299 4.585 97 HE2 LYS 11 HE2 LYS 11 44.569 9.810 3.510 98 HE3 LYS 11 HE1 LYS 11 44.507 8.723 4.918 99 HZ1 LYS 11 HZ1 LYS 11 45.858 10.106 6.148 100 HZ2 LYS 11 HZ2 LYS 11 44.941 11.233 5.268 101 HZ3 LYS 11 HZ3 LYS 11 46.530 10.869 4.792 102 H ASN 12 HN ASN 12 48.788 8.597 -1.415 103 HA ASN 12 HA ASN 12 50.180 7.126 -2.573 104 HB2 ASN 12 HB2 ASN 12 52.251 8.550 -0.924 105 HB3 ASN 12 HB1 ASN 12 52.629 7.475 -2.292 106 HD21 ASN 12 HD21 ASN 12 50.492 10.326 -1.538 107 HD22 ASN 12 HD22 ASN 12 50.730 11.083 -3.116 108 H GLU 13 HN GLU 13 49.267 6.589 0.406 109 HA GLU 13 HA GLU 13 49.249 4.682 1.757 110 HB2 GLU 13 HB2 GLU 13 51.395 3.463 -0.018 111 HB3 GLU 13 HB1 GLU 13 50.354 2.635 1.145 112 HG2 GLU 13 HG2 GLU 13 48.414 2.883 -0.198 113 HG3 GLU 13 HG1 GLU 13 49.154 4.149 -1.202 114 H ILE 14 HN ILE 14 51.672 6.705 1.019 115 HA ILE 14 HA ILE 14 53.389 6.130 3.393 116 HB ILE 14 HB ILE 14 54.958 7.388 1.425 117 HG12 ILE 14 HG12 ILE 14 53.526 4.960 0.344 118 HG13 ILE 14 HG11 ILE 14 53.401 6.630 -0.255 119 HG21 ILE 14 HG21 ILE 14 55.628 5.686 3.255 120 HG22 ILE 14 HG22 ILE 14 56.443 5.553 1.687 121 HG23 ILE 14 HG23 ILE 14 55.118 4.438 2.098 122 HD11 ILE 14 HD1 ILE 14 54.975 5.650 -1.724 123 HD12 ILE 14 HD2 ILE 14 55.760 4.736 -0.417 124 HD13 ILE 14 HD3 ILE 14 55.996 6.498 -0.539 125 H LYS 15 HN LYS 15 51.466 8.518 1.742 126 HA LYS 15 HA LYS 15 51.476 10.769 2.340 127 HB2 LYS 15 HB2 LYS 15 52.628 9.806 4.973 128 HB3 LYS 15 HB1 LYS 15 51.901 11.386 4.678 129 HG2 LYS 15 HG2 LYS 15 49.771 10.217 4.080 130 HG3 LYS 15 HG1 LYS 15 50.533 8.686 4.575 131 HD2 LYS 15 HD2 LYS 15 50.923 9.592 6.838 132 HD3 LYS 15 HD1 LYS 15 50.189 11.139 6.353 133 HE2 LYS 15 HE2 LYS 15 48.562 9.707 7.565 134 HE3 LYS 15 HE1 LYS 15 48.050 9.991 5.885 135 HZ1 LYS 15 HZ1 LYS 15 48.835 7.854 5.256 136 HZ2 LYS 15 HZ2 LYS 15 47.890 7.638 6.651 137 HZ3 LYS 15 HZ3 LYS 15 49.585 7.597 6.755 138 H LYS 16 HN LYS 16 53.212 9.141 0.877 139 HA LYS 16 HA LYS 16 55.362 9.130 -0.020 140 HB2 LYS 16 HB2 LYS 16 54.930 12.029 0.765 141 HB3 LYS 16 HB1 LYS 16 56.431 11.478 -0.030 142 HG2 LYS 16 HG2 LYS 16 53.715 10.738 -1.209 143 HG3 LYS 16 HG1 LYS 16 54.402 12.332 -1.547 144 HD2 LYS 16 HD2 LYS 16 56.557 11.014 -2.277 145 HD3 LYS 16 HD1 LYS 16 55.489 9.596 -2.308 146 HE2 LYS 16 HE2 LYS 16 55.480 10.493 -4.532 147 HE3 LYS 16 HE1 LYS 16 53.925 10.958 -3.802 148 HZ1 LYS 16 HZ1 LYS 16 54.579 13.132 -3.586 149 HZ2 LYS 16 HZ2 LYS 16 55.390 12.715 -5.020 150 HZ3 LYS 16 HZ3 LYS 16 56.235 12.768 -3.548 151 H LYS 17 HN LYS 17 54.735 8.424 2.732 152 HA LYS 17 HA LYS 17 56.030 7.634 4.476 153 HB2 LYS 17 HB2 LYS 17 58.091 8.086 2.923 154 HB3 LYS 17 HB1 LYS 17 58.277 9.563 3.877 155 HG2 LYS 17 HG2 LYS 17 59.591 8.150 5.184 156 HG3 LYS 17 HG1 LYS 17 58.016 7.848 5.946 157 HD2 LYS 17 HD2 LYS 17 58.756 5.654 5.560 158 HD3 LYS 17 HD1 LYS 17 57.803 5.949 4.091 159 HE2 LYS 17 HE2 LYS 17 60.046 6.784 3.049 160 HE3 LYS 17 HE1 LYS 17 60.820 5.971 4.429 161 HZ1 LYS 17 HZ1 LYS 17 58.872 4.636 2.622 162 HZ2 LYS 17 HZ2 LYS 17 59.869 3.911 3.790 163 HZ3 LYS 17 HZ3 LYS 17 60.551 4.580 2.386 164 H GLY 18 HN GLY 18 54.171 10.233 4.204 165 HA2 GLY 18 HA1 GLY 18 53.603 11.147 6.594 166 HA3 GLY 18 HA2 GLY 18 55.317 11.613 6.683 167 H ARG 19 HN ARG 19 53.382 11.901 3.749 168 HA ARG 19 HA ARG 19 53.198 13.805 2.457 169 HB2 ARG 19 HB2 ARG 19 52.208 14.565 5.042 170 HB3 ARG 19 HB1 ARG 19 53.384 15.833 4.615 171 HG2 ARG 19 HG2 ARG 19 52.199 16.045 2.375 172 HG3 ARG 19 HG1 ARG 19 50.948 14.942 2.997 173 HD2 ARG 19 HD2 ARG 19 50.458 16.485 4.843 174 HD3 ARG 19 HD1 ARG 19 51.767 17.569 4.313 175 HE ARG 19 HE ARG 19 50.231 18.455 2.769 176 HH11 ARG 19 HH11 ARG 19 47.826 17.425 4.058 177 HH12 ARG 19 HH12 ARG 19 47.121 16.406 2.849 178 HH21 ARG 19 HH21 ARG 19 50.025 16.171 0.969 179 HH22 ARG 19 HH22 ARG 19 48.364 15.696 1.100 180 H LYS 20 HN LYS 20 55.598 12.423 3.815 181 HA LYS 20 HA LYS 20 57.447 14.515 4.460 182 HB2 LYS 20 HB2 LYS 20 58.100 11.855 3.392 183 HB3 LYS 20 HB1 LYS 20 59.250 13.217 3.569 184 HG2 LYS 20 HG2 LYS 20 58.605 13.355 6.030 185 HG3 LYS 20 HG1 LYS 20 57.690 11.856 5.833 186 HD2 LYS 20 HD2 LYS 20 59.794 10.699 5.130 187 HD3 LYS 20 HD1 LYS 20 60.679 12.215 5.371 188 HE2 LYS 20 HE2 LYS 20 60.245 12.209 7.728 189 HE3 LYS 20 HE1 LYS 20 59.031 10.916 7.573 190 HZ1 LYS 20 HZ1 LYS 20 61.552 10.464 8.257 191 HZ2 LYS 20 HZ2 LYS 20 61.707 10.324 6.572 192 HZ3 LYS 20 HZ3 LYS 20 60.613 9.333 7.412 193 H ALA 21 HN ALA 21 56.297 13.062 1.608 194 HA ALA 21 HA ALA 21 58.335 13.936 -0.170 195 HB1 ALA 21 HB1 ALA 21 56.245 14.935 -1.572 196 HB2 ALA 21 HB2 ALA 21 55.392 14.016 -0.328 197 HB3 ALA 21 HB3 ALA 21 56.530 13.197 -1.423 198 H VAL 22 HN VAL 22 57.861 15.250 2.155 199 HA VAL 22 HA VAL 22 59.081 17.657 1.803 200 HB VAL 22 HB VAL 22 56.904 19.283 2.441 201 HG11 VAL 22 HG11 VAL 22 57.068 19.990 -0.083 202 HG12 VAL 22 HG12 VAL 22 58.380 18.791 -0.160 203 HG13 VAL 22 HG13 VAL 22 58.497 20.161 0.962 204 HG21 VAL 22 HG21 VAL 22 55.571 17.067 1.496 205 HG22 VAL 22 HG22 VAL 22 55.789 17.962 -0.020 206 HG23 VAL 22 HG23 VAL 22 54.953 18.719 1.346 207 H ILE 23 HN ILE 23 56.708 16.011 4.123 208 HA ILE 23 HA ILE 23 57.779 17.852 6.132 209 HB ILE 23 HB ILE 23 56.624 15.030 6.460 210 HG12 ILE 23 HG12 ILE 23 55.629 17.809 7.241 211 HG13 ILE 23 HG11 ILE 23 55.108 16.926 5.793 212 HG21 ILE 23 HG21 ILE 23 57.908 16.931 8.448 213 HG22 ILE 23 HG22 ILE 23 58.090 15.166 8.308 214 HG23 ILE 23 HG23 ILE 23 56.596 15.853 8.968 215 HD11 ILE 23 HD1 ILE 23 53.426 16.076 7.119 216 HD12 ILE 23 HD2 ILE 23 54.239 16.587 8.615 217 HD13 ILE 23 HD3 ILE 23 54.680 15.048 7.850 218 H ALA 24 HN ALA 24 59.365 15.935 3.889 219 HA ALA 24 HA ALA 24 61.899 16.262 4.651 220 HB1 ALA 24 HB1 ALA 24 61.945 15.575 6.888 221 HB2 ALA 24 HB2 ALA 24 62.522 14.111 6.073 222 HB3 ALA 24 HB3 ALA 24 60.827 14.223 6.603 223 H TRP 25 HN TRP 25 60.538 15.593 2.414 224 HA TRP 25 HA TRP 25 60.418 13.162 1.264 225 HB2 TRP 25 HB2 TRP 25 60.264 15.253 -0.020 226 HB3 TRP 25 HB1 TRP 25 62.018 15.487 0.125 227 HD1 TRP 25 HD1 TRP 25 59.931 12.360 -0.900 228 HE1 TRP 25 HE1 TRP 25 60.867 11.433 -3.138 229 HE3 TRP 25 HE3 TRP 25 63.575 15.853 -1.761 230 HZ2 TRP 25 HZ2 TRP 25 62.923 12.134 -5.025 231 HZ3 TRP 25 HZ3 TRP 25 65.013 15.702 -3.787 232 HH2 TRP 25 HH2 TRP 25 64.691 13.847 -5.419 Start of MODEL 8 1 H1 ALA 1 HT1 ALA 1 39.638 2.976 -7.601 2 H2 ALA 1 HT2 ALA 1 39.356 4.572 -7.092 3 H3 ALA 1 HT3 ALA 1 39.721 3.365 -5.953 4 HA ALA 1 HA ALA 1 41.893 3.401 -6.347 5 HB1 ALA 1 HB1 ALA 1 41.365 2.708 -8.768 6 HB2 ALA 1 HB2 ALA 1 42.880 3.601 -8.489 7 HB3 ALA 1 HB3 ALA 1 41.461 4.444 -9.160 8 H GLY 2 HN GLY 2 43.567 5.130 -7.028 9 HA2 GLY 2 HA1 GLY 2 43.553 7.402 -5.540 10 HA3 GLY 2 HA2 GLY 2 44.206 7.332 -7.197 11 H LYS 3 HN LYS 3 41.683 7.071 -8.194 12 HA LYS 3 HA LYS 3 41.284 9.953 -8.250 13 HB2 LYS 3 HB2 LYS 3 39.801 7.662 -9.568 14 HB3 LYS 3 HB1 LYS 3 39.124 9.305 -9.630 15 HG2 LYS 3 HG2 LYS 3 40.485 8.812 -11.651 16 HG3 LYS 3 HG1 LYS 3 41.194 10.135 -10.696 17 HD2 LYS 3 HD2 LYS 3 42.886 8.705 -9.781 18 HD3 LYS 3 HD1 LYS 3 42.061 7.236 -10.356 19 HE2 LYS 3 HE2 LYS 3 43.189 9.400 -12.185 20 HE3 LYS 3 HE1 LYS 3 44.040 7.893 -11.770 21 HZ1 LYS 3 HZ1 LYS 3 41.494 7.147 -12.543 22 HZ2 LYS 3 HZ2 LYS 3 42.934 6.942 -13.423 23 HZ3 LYS 3 HZ3 LYS 3 41.970 8.321 -13.672 24 H GLU 4 HN GLU 4 40.659 7.750 -6.185 25 HA GLU 4 HA GLU 4 38.215 8.962 -5.039 26 HB2 GLU 4 HB2 GLU 4 39.154 6.415 -4.786 27 HB3 GLU 4 HB1 GLU 4 40.127 7.156 -3.483 28 HG2 GLU 4 HG2 GLU 4 38.121 6.429 -2.406 29 HG3 GLU 4 HG1 GLU 4 37.852 8.167 -2.671 30 H THR 5 HN THR 5 41.565 9.262 -5.624 31 HA THR 5 HA THR 5 43.245 10.123 -4.176 32 HB THR 5 HB THR 5 43.359 12.507 -4.415 33 HG1 THR 5 HG1 THR 5 41.782 13.652 -3.691 34 HG21 THR 5 HG21 THR 5 41.382 11.426 -6.450 35 HG22 THR 5 HG22 THR 5 43.136 11.675 -6.642 36 HG23 THR 5 HG23 THR 5 42.042 13.071 -6.539 37 H ILE 6 HN ILE 6 42.627 8.870 -2.678 38 HA ILE 6 HA ILE 6 43.034 9.663 -0.103 39 HB ILE 6 HB ILE 6 40.581 10.649 -0.312 40 HG12 ILE 6 HG12 ILE 6 41.257 8.592 1.835 41 HG13 ILE 6 HG11 ILE 6 41.762 10.298 1.829 42 HG21 ILE 6 HG21 ILE 6 39.708 7.789 0.194 43 HG22 ILE 6 HG22 ILE 6 39.866 8.373 -1.474 44 HG23 ILE 6 HG23 ILE 6 38.745 9.184 -0.356 45 HD11 ILE 6 HD1 ILE 6 39.285 10.910 1.710 46 HD12 ILE 6 HD2 ILE 6 39.814 10.164 3.238 47 HD13 ILE 6 HD3 ILE 6 38.932 9.196 2.033 48 H ARG 7 HN ARG 7 42.553 7.891 -2.788 49 HA ARG 7 HA ARG 7 42.062 5.244 -1.425 50 HB2 ARG 7 HB2 ARG 7 42.067 6.251 -4.183 51 HB3 ARG 7 HB1 ARG 7 43.062 4.803 -4.095 52 HG2 ARG 7 HG2 ARG 7 40.276 4.858 -2.858 53 HG3 ARG 7 HG1 ARG 7 40.515 4.513 -4.581 54 HD2 ARG 7 HD2 ARG 7 40.442 2.395 -3.410 55 HD3 ARG 7 HD1 ARG 7 42.119 2.668 -3.932 56 HE ARG 7 HE ARG 7 42.739 2.815 -1.650 57 HH11 ARG 7 HH11 ARG 7 39.331 3.082 -2.093 58 HH12 ARG 7 HH12 ARG 7 38.973 3.040 -0.398 59 HH21 ARG 7 HH21 ARG 7 42.293 2.774 0.565 60 HH22 ARG 7 HH22 ARG 7 40.651 2.865 1.106 61 H GLN 8 HN GLN 8 44.177 6.883 -0.485 62 HA GLN 8 HA GLN 8 46.246 6.541 0.355 63 HB2 GLN 8 HB2 GLN 8 46.629 4.060 -1.376 64 HB3 GLN 8 HB1 GLN 8 47.506 4.522 0.090 65 HG2 GLN 8 HG2 GLN 8 44.606 3.601 -0.099 66 HG3 GLN 8 HG1 GLN 8 45.955 2.793 0.724 67 HE21 GLN 8 HE21 GLN 8 47.099 4.346 2.453 68 HE22 GLN 8 HE22 GLN 8 45.971 5.239 3.479 69 H TYR 9 HN TYR 9 45.178 7.543 -2.344 70 HA TYR 9 HA TYR 9 47.868 7.849 -3.681 71 HB2 TYR 9 HB2 TYR 9 45.823 7.234 -5.062 72 HB3 TYR 9 HB1 TYR 9 45.162 8.836 -4.655 73 HD1 TYR 9 HD1 TYR 9 46.312 10.910 -5.416 74 HD2 TYR 9 HD2 TYR 9 47.669 6.994 -6.620 75 HE1 TYR 9 HE1 TYR 9 47.676 11.940 -7.229 76 HE2 TYR 9 HE2 TYR 9 49.032 8.023 -8.434 77 HH TYR 9 HH TYR 9 48.894 10.188 -9.804 78 H LEU 10 HN LEU 10 45.686 9.227 -1.488 79 HA LEU 10 HA LEU 10 46.726 12.020 -1.935 80 HB2 LEU 10 HB2 LEU 10 44.239 11.414 -1.349 81 HB3 LEU 10 HB1 LEU 10 44.850 11.121 0.288 82 HG LEU 10 HG LEU 10 45.961 13.522 0.009 83 HD11 LEU 10 HD11 LEU 10 43.709 13.582 -2.056 84 HD12 LEU 10 HD12 LEU 10 45.434 13.907 -2.345 85 HD13 LEU 10 HD13 LEU 10 44.470 15.031 -1.363 86 HD21 LEU 10 HD21 LEU 10 44.205 12.996 1.653 87 HD22 LEU 10 HD22 LEU 10 42.958 13.126 0.389 88 HD23 LEU 10 HD23 LEU 10 43.873 14.569 0.889 89 H LYS 11 HN LYS 11 47.519 9.168 -0.673 90 HA LYS 11 HA LYS 11 49.401 10.312 1.369 91 HB2 LYS 11 HB2 LYS 11 47.786 7.750 1.675 92 HB3 LYS 11 HB1 LYS 11 48.984 8.397 2.816 93 HG2 LYS 11 HG2 LYS 11 47.595 10.335 3.281 94 HG3 LYS 11 HG1 LYS 11 46.448 9.875 2.001 95 HD2 LYS 11 HD2 LYS 11 46.012 7.726 3.250 96 HD3 LYS 11 HD1 LYS 11 47.018 8.354 4.578 97 HE2 LYS 11 HE2 LYS 11 44.416 9.515 3.507 98 HE3 LYS 11 HE1 LYS 11 44.734 8.879 5.138 99 HZ1 LYS 11 HZ1 LYS 11 45.434 11.453 3.972 100 HZ2 LYS 11 HZ2 LYS 11 46.632 10.739 4.944 101 HZ3 LYS 11 HZ3 LYS 11 45.087 11.045 5.582 102 H ASN 12 HN ASN 12 48.759 8.640 -1.467 103 HA ASN 12 HA ASN 12 50.166 7.218 -2.662 104 HB2 ASN 12 HB2 ASN 12 52.247 8.636 -1.023 105 HB3 ASN 12 HB1 ASN 12 52.604 7.595 -2.424 106 HD21 ASN 12 HD21 ASN 12 53.224 9.059 -4.036 107 HD22 ASN 12 HD22 ASN 12 52.231 10.433 -4.536 108 H GLU 13 HN GLU 13 49.305 6.655 0.345 109 HA GLU 13 HA GLU 13 49.347 4.727 1.662 110 HB2 GLU 13 HB2 GLU 13 49.796 3.600 -0.696 111 HB3 GLU 13 HB1 GLU 13 51.458 3.434 -0.091 112 HG2 GLU 13 HG2 GLU 13 50.629 2.237 1.907 113 HG3 GLU 13 HG1 GLU 13 48.955 2.411 1.326 114 H ILE 14 HN ILE 14 51.652 6.827 0.953 115 HA ILE 14 HA ILE 14 53.508 6.198 3.198 116 HB ILE 14 HB ILE 14 54.954 7.538 1.167 117 HG12 ILE 14 HG12 ILE 14 53.557 5.050 0.175 118 HG13 ILE 14 HG11 ILE 14 53.379 6.706 -0.437 119 HG21 ILE 14 HG21 ILE 14 56.532 5.775 1.385 120 HG22 ILE 14 HG22 ILE 14 55.278 4.595 1.836 121 HG23 ILE 14 HG23 ILE 14 55.768 5.855 2.982 122 HD11 ILE 14 HD1 ILE 14 54.910 5.730 -1.955 123 HD12 ILE 14 HD2 ILE 14 55.773 4.870 -0.660 124 HD13 ILE 14 HD3 ILE 14 55.952 6.634 -0.831 125 H LYS 15 HN LYS 15 51.489 8.613 1.669 126 HA LYS 15 HA LYS 15 51.464 10.835 2.328 127 HB2 LYS 15 HB2 LYS 15 52.695 9.764 4.889 128 HB3 LYS 15 HB1 LYS 15 52.079 11.406 4.675 129 HG2 LYS 15 HG2 LYS 15 49.849 10.391 4.080 130 HG3 LYS 15 HG1 LYS 15 50.520 8.811 4.556 131 HD2 LYS 15 HD2 LYS 15 51.093 9.814 6.805 132 HD3 LYS 15 HD1 LYS 15 50.204 11.277 6.318 133 HE2 LYS 15 HE2 LYS 15 48.162 9.911 5.961 134 HE3 LYS 15 HE1 LYS 15 49.052 8.457 6.475 135 HZ1 LYS 15 HZ1 LYS 15 48.458 8.982 8.535 136 HZ2 LYS 15 HZ2 LYS 15 47.850 10.498 8.063 137 HZ3 LYS 15 HZ3 LYS 15 49.495 10.322 8.449 138 H LYS 16 HN LYS 16 53.180 9.292 0.768 139 HA LYS 16 HA LYS 16 55.282 9.351 -0.224 140 HB2 LYS 16 HB2 LYS 16 55.045 12.215 0.765 141 HB3 LYS 16 HB1 LYS 16 56.286 11.623 -0.366 142 HG2 LYS 16 HG2 LYS 16 54.589 12.502 -1.821 143 HG3 LYS 16 HG1 LYS 16 54.298 10.758 -1.826 144 HD2 LYS 16 HD2 LYS 16 52.367 10.936 -0.478 145 HD3 LYS 16 HD1 LYS 16 52.851 12.505 0.200 146 HE2 LYS 16 HE2 LYS 16 50.948 12.496 -1.558 147 HE3 LYS 16 HE1 LYS 16 52.262 13.675 -1.780 148 HZ1 LYS 16 HZ1 LYS 16 51.439 11.616 -3.513 149 HZ2 LYS 16 HZ2 LYS 16 53.031 11.291 -3.018 150 HZ3 LYS 16 HZ3 LYS 16 52.652 12.776 -3.750 151 H LYS 17 HN LYS 17 54.784 8.528 2.525 152 HA LYS 17 HA LYS 17 56.114 7.746 4.221 153 HB2 LYS 17 HB2 LYS 17 58.113 8.161 2.587 154 HB3 LYS 17 HB1 LYS 17 58.379 9.632 3.532 155 HG2 LYS 17 HG2 LYS 17 58.589 8.309 5.599 156 HG3 LYS 17 HG1 LYS 17 58.228 6.818 4.696 157 HD2 LYS 17 HD2 LYS 17 60.252 7.085 3.354 158 HD3 LYS 17 HD1 LYS 17 60.589 8.658 4.117 159 HE2 LYS 17 HE2 LYS 17 60.712 7.485 6.343 160 HE3 LYS 17 HE1 LYS 17 60.544 5.934 5.486 161 HZ1 LYS 17 HZ1 LYS 17 62.644 7.894 4.756 162 HZ2 LYS 17 HZ2 LYS 17 62.576 6.232 4.410 163 HZ3 LYS 17 HZ3 LYS 17 62.886 6.761 5.994 164 H GLY 18 HN GLY 18 54.221 10.256 4.085 165 HA2 GLY 18 HA1 GLY 18 53.682 11.216 6.406 166 HA3 GLY 18 HA2 GLY 18 55.409 11.583 6.570 167 H ARG 19 HN ARG 19 53.407 12.052 3.686 168 HA ARG 19 HA ARG 19 53.366 13.961 2.375 169 HB2 ARG 19 HB2 ARG 19 53.063 15.053 5.199 170 HB3 ARG 19 HB1 ARG 19 53.387 16.194 3.872 171 HG2 ARG 19 HG2 ARG 19 51.400 15.371 2.659 172 HG3 ARG 19 HG1 ARG 19 51.093 14.174 3.942 173 HD2 ARG 19 HD2 ARG 19 50.863 16.041 5.587 174 HD3 ARG 19 HD1 ARG 19 51.077 17.208 4.261 175 HE ARG 19 HE ARG 19 48.802 16.865 3.781 176 HH11 ARG 19 HH11 ARG 19 48.529 14.416 2.551 177 HH12 ARG 19 HH12 ARG 19 47.786 13.353 3.700 178 HH21 ARG 19 HH21 ARG 19 48.553 15.341 6.434 179 HH22 ARG 19 HH22 ARG 19 47.801 13.876 5.898 180 H LYS 20 HN LYS 20 55.734 12.470 3.685 181 HA LYS 20 HA LYS 20 57.655 14.497 4.356 182 HB2 LYS 20 HB2 LYS 20 58.360 11.954 3.045 183 HB3 LYS 20 HB1 LYS 20 59.448 13.287 3.585 184 HG2 LYS 20 HG2 LYS 20 57.524 12.202 5.663 185 HG3 LYS 20 HG1 LYS 20 58.834 11.101 5.195 186 HD2 LYS 20 HD2 LYS 20 60.485 12.911 5.660 187 HD3 LYS 20 HD1 LYS 20 59.145 13.915 6.251 188 HE2 LYS 20 HE2 LYS 20 58.586 12.150 7.924 189 HE3 LYS 20 HE1 LYS 20 59.996 11.217 7.368 190 HZ1 LYS 20 HZ1 LYS 20 61.454 12.907 8.088 191 HZ2 LYS 20 HZ2 LYS 20 60.359 12.675 9.367 192 HZ3 LYS 20 HZ3 LYS 20 60.197 14.017 8.338 193 H ALA 21 HN ALA 21 56.389 13.174 1.504 194 HA ALA 21 HA ALA 21 58.470 14.055 -0.279 195 HB1 ALA 21 HB1 ALA 21 56.339 15.128 -1.602 196 HB2 ALA 21 HB2 ALA 21 55.539 14.093 -0.425 197 HB3 ALA 21 HB3 ALA 21 56.692 13.396 -1.589 198 H VAL 22 HN VAL 22 58.013 15.283 2.095 199 HA VAL 22 HA VAL 22 59.252 17.694 1.833 200 HB VAL 22 HB VAL 22 57.491 18.754 0.487 201 HG11 VAL 22 HG11 VAL 22 55.225 19.103 1.484 202 HG12 VAL 22 HG12 VAL 22 55.702 18.077 2.858 203 HG13 VAL 22 HG13 VAL 22 55.600 17.384 1.222 204 HG21 VAL 22 HG21 VAL 22 57.255 19.935 3.280 205 HG22 VAL 22 HG22 VAL 22 57.206 20.780 1.715 206 HG23 VAL 22 HG23 VAL 22 58.735 20.086 2.303 207 H ILE 23 HN ILE 23 56.868 15.999 4.045 208 HA ILE 23 HA ILE 23 57.672 17.878 6.116 209 HB ILE 23 HB ILE 23 57.028 14.901 6.448 210 HG12 ILE 23 HG12 ILE 23 55.149 16.114 5.450 211 HG13 ILE 23 HG11 ILE 23 54.779 15.715 7.138 212 HG21 ILE 23 HG21 ILE 23 57.653 17.130 8.383 213 HG22 ILE 23 HG22 ILE 23 58.061 15.404 8.465 214 HG23 ILE 23 HG23 ILE 23 56.409 15.941 8.841 215 HD11 ILE 23 HD1 ILE 23 55.407 18.410 5.897 216 HD12 ILE 23 HD2 ILE 23 55.724 18.144 7.625 217 HD13 ILE 23 HD3 ILE 23 54.080 17.957 6.986 218 H ALA 24 HN ALA 24 59.499 16.005 3.952 219 HA ALA 24 HA ALA 24 61.980 16.601 4.573 220 HB1 ALA 24 HB1 ALA 24 62.078 16.332 6.911 221 HB2 ALA 24 HB2 ALA 24 62.904 14.889 6.295 222 HB3 ALA 24 HB3 ALA 24 61.230 14.773 6.871 223 H TRP 25 HN TRP 25 60.721 15.468 2.491 224 HA TRP 25 HA TRP 25 60.759 13.682 0.972 225 HB2 TRP 25 HB2 TRP 25 63.664 13.854 1.852 226 HB3 TRP 25 HB1 TRP 25 63.090 13.056 0.369 227 HD1 TRP 25 HD1 TRP 25 63.990 16.397 1.781 228 HE1 TRP 25 HE1 TRP 25 63.584 18.281 0.034 229 HE3 TRP 25 HE3 TRP 25 61.348 13.720 -1.692 230 HZ2 TRP 25 HZ2 TRP 25 62.280 18.554 -2.519 231 HZ3 TRP 25 HZ3 TRP 25 60.532 14.812 -3.776 232 HH2 TRP 25 HH2 TRP 25 60.996 17.224 -4.192 Start of MODEL 9 1 H1 ALA 1 HT1 ALA 1 42.068 4.171 -9.668 2 H2 ALA 1 HT2 ALA 1 41.300 5.165 -8.524 3 H3 ALA 1 HT3 ALA 1 42.647 4.232 -8.077 4 HA ALA 1 HA ALA 1 44.106 5.501 -9.348 5 HB1 ALA 1 HB1 ALA 1 43.416 7.157 -10.907 6 HB2 ALA 1 HB2 ALA 1 41.735 7.122 -10.319 7 HB3 ALA 1 HB3 ALA 1 42.393 5.738 -11.228 8 H GLY 2 HN GLY 2 45.001 7.489 -8.653 9 HA2 GLY 2 HA1 GLY 2 43.916 8.385 -6.060 10 HA3 GLY 2 HA2 GLY 2 45.418 8.925 -6.852 11 H LYS 3 HN LYS 3 42.140 8.790 -8.060 12 HA LYS 3 HA LYS 3 42.243 11.741 -8.310 13 HB2 LYS 3 HB2 LYS 3 40.284 9.707 -9.467 14 HB3 LYS 3 HB1 LYS 3 40.090 11.469 -9.632 15 HG2 LYS 3 HG2 LYS 3 42.461 11.471 -10.662 16 HG3 LYS 3 HG1 LYS 3 42.289 9.703 -10.775 17 HD2 LYS 3 HD2 LYS 3 40.361 11.737 -11.984 18 HD3 LYS 3 HD1 LYS 3 41.609 10.846 -12.886 19 HE2 LYS 3 HE2 LYS 3 40.487 8.697 -11.962 20 HE3 LYS 3 HE1 LYS 3 39.122 9.753 -11.523 21 HZ1 LYS 3 HZ1 LYS 3 39.835 10.410 -14.122 22 HZ2 LYS 3 HZ2 LYS 3 38.440 9.586 -13.609 23 HZ3 LYS 3 HZ3 LYS 3 39.827 8.715 -14.062 24 H GLU 4 HN GLU 4 41.181 9.170 -6.534 25 HA GLU 4 HA GLU 4 39.107 10.672 -5.087 26 HB2 GLU 4 HB2 GLU 4 40.844 8.447 -3.886 27 HB3 GLU 4 HB1 GLU 4 39.124 8.838 -3.575 28 HG2 GLU 4 HG2 GLU 4 40.195 7.653 -6.168 29 HG3 GLU 4 HG1 GLU 4 39.324 6.760 -4.902 30 H THR 5 HN THR 5 42.451 10.653 -5.824 31 HA THR 5 HA THR 5 44.307 11.087 -4.364 32 HB THR 5 HB THR 5 44.118 13.098 -5.744 33 HG1 THR 5 HG1 THR 5 44.241 13.984 -3.048 34 HG21 THR 5 HG21 THR 5 41.802 13.648 -5.584 35 HG22 THR 5 HG22 THR 5 42.660 15.032 -4.870 36 HG23 THR 5 HG23 THR 5 41.882 13.827 -3.817 37 H ILE 6 HN ILE 6 43.323 9.820 -3.029 38 HA ILE 6 HA ILE 6 43.789 10.330 -0.365 39 HB ILE 6 HB ILE 6 41.445 11.642 -0.749 40 HG12 ILE 6 HG12 ILE 6 41.909 9.692 1.553 41 HG13 ILE 6 HG11 ILE 6 42.594 11.329 1.427 42 HG21 ILE 6 HG21 ILE 6 40.362 8.882 -0.087 43 HG22 ILE 6 HG22 ILE 6 40.483 9.433 -1.768 44 HG23 ILE 6 HG23 ILE 6 39.480 10.335 -0.614 45 HD11 ILE 6 HD1 ILE 6 39.675 10.536 1.737 46 HD12 ILE 6 HD2 ILE 6 40.166 12.164 1.210 47 HD13 ILE 6 HD3 ILE 6 40.658 11.558 2.810 48 H ARG 7 HN ARG 7 43.330 8.834 -3.207 49 HA ARG 7 HA ARG 7 42.357 6.189 -2.151 50 HB2 ARG 7 HB2 ARG 7 42.332 7.005 -4.685 51 HB3 ARG 7 HB1 ARG 7 44.021 6.477 -4.692 52 HG2 ARG 7 HG2 ARG 7 43.273 4.234 -3.833 53 HG3 ARG 7 HG1 ARG 7 41.588 4.778 -3.983 54 HD2 ARG 7 HD2 ARG 7 41.765 4.987 -6.367 55 HD3 ARG 7 HD1 ARG 7 43.538 4.832 -6.319 56 HE ARG 7 HE ARG 7 43.293 2.463 -5.970 57 HH11 ARG 7 HH11 ARG 7 40.474 3.481 -4.621 58 HH12 ARG 7 HH12 ARG 7 39.435 2.356 -5.429 59 HH21 ARG 7 HH21 ARG 7 41.876 1.288 -7.647 60 HH22 ARG 7 HH22 ARG 7 40.228 1.115 -7.142 61 H GLN 8 HN GLN 8 44.413 7.611 -0.768 62 HA GLN 8 HA GLN 8 46.336 7.192 0.333 63 HB2 GLN 8 HB2 GLN 8 46.622 4.539 -1.151 64 HB3 GLN 8 HB1 GLN 8 47.327 5.002 0.409 65 HG2 GLN 8 HG2 GLN 8 44.956 5.224 1.308 66 HG3 GLN 8 HG1 GLN 8 44.393 4.473 -0.202 67 HE21 GLN 8 HE21 GLN 8 45.264 2.246 -0.716 68 HE22 GLN 8 HE22 GLN 8 45.716 1.201 0.635 69 H TYR 9 HN TYR 9 45.760 8.221 -2.331 70 HA TYR 9 HA TYR 9 48.514 8.077 -3.537 71 HB2 TYR 9 HB2 TYR 9 46.586 7.753 -5.076 72 HB3 TYR 9 HB1 TYR 9 45.947 9.340 -4.582 73 HD1 TYR 9 HD1 TYR 9 46.885 11.389 -5.441 74 HD2 TYR 9 HD2 TYR 9 48.811 7.611 -6.246 75 HE1 TYR 9 HE1 TYR 9 48.365 12.499 -7.109 76 HE2 TYR 9 HE2 TYR 9 50.291 8.721 -7.913 77 HH TYR 9 HH TYR 9 49.877 12.066 -8.863 78 H LEU 10 HN LEU 10 46.298 9.885 -1.589 79 HA LEU 10 HA LEU 10 47.764 12.468 -2.027 80 HB2 LEU 10 HB2 LEU 10 45.365 12.553 -1.460 81 HB3 LEU 10 HB1 LEU 10 45.663 11.624 0.021 82 HG LEU 10 HG LEU 10 46.916 13.437 1.008 83 HD11 LEU 10 HD11 LEU 10 46.788 14.621 -1.790 84 HD12 LEU 10 HD12 LEU 10 48.210 14.381 -0.748 85 HD13 LEU 10 HD13 LEU 10 47.041 15.663 -0.370 86 HD21 LEU 10 HD21 LEU 10 44.405 13.556 1.017 87 HD22 LEU 10 HD22 LEU 10 44.491 14.620 -0.407 88 HD23 LEU 10 HD23 LEU 10 45.188 15.148 1.144 89 H LYS 11 HN LYS 11 48.161 9.569 -0.612 90 HA LYS 11 HA LYS 11 50.029 10.509 1.558 91 HB2 LYS 11 HB2 LYS 11 48.607 7.853 1.231 92 HB3 LYS 11 HB1 LYS 11 49.554 8.395 2.632 93 HG2 LYS 11 HG2 LYS 11 47.907 10.233 3.007 94 HG3 LYS 11 HG1 LYS 11 46.961 9.646 1.620 95 HD2 LYS 11 HD2 LYS 11 46.732 7.426 2.766 96 HD3 LYS 11 HD1 LYS 11 47.560 8.111 4.186 97 HE2 LYS 11 HE2 LYS 11 44.996 9.224 2.962 98 HE3 LYS 11 HE1 LYS 11 45.066 8.182 4.403 99 HZ1 LYS 11 HZ1 LYS 11 45.003 10.682 4.771 100 HZ2 LYS 11 HZ2 LYS 11 46.610 10.707 4.220 101 HZ3 LYS 11 HZ3 LYS 11 46.198 9.816 5.606 102 H ASN 12 HN ASN 12 49.303 7.972 -0.691 103 HA ASN 12 HA ASN 12 50.724 7.086 -2.333 104 HB2 ASN 12 HB2 ASN 12 52.464 8.932 -1.933 105 HB3 ASN 12 HB1 ASN 12 53.171 7.842 -0.731 106 HD21 ASN 12 HD21 ASN 12 53.839 5.611 -1.526 107 HD22 ASN 12 HD22 ASN 12 54.354 5.466 -3.210 108 H GLU 13 HN GLU 13 49.614 6.608 0.427 109 HA GLU 13 HA GLU 13 49.255 4.689 1.719 110 HB2 GLU 13 HB2 GLU 13 49.925 3.505 -0.547 111 HB3 GLU 13 HB1 GLU 13 51.471 3.205 0.273 112 HG2 GLU 13 HG2 GLU 13 50.196 2.170 2.185 113 HG3 GLU 13 HG1 GLU 13 48.704 2.347 1.230 114 H ILE 14 HN ILE 14 51.588 6.709 1.571 115 HA ILE 14 HA ILE 14 53.017 5.960 4.043 116 HB ILE 14 HB ILE 14 55.036 6.825 2.284 117 HG12 ILE 14 HG12 ILE 14 53.601 4.408 1.173 118 HG13 ILE 14 HG11 ILE 14 53.668 6.016 0.444 119 HG21 ILE 14 HG21 ILE 14 55.187 5.260 4.340 120 HG22 ILE 14 HG22 ILE 14 56.226 4.884 2.956 121 HG23 ILE 14 HG23 ILE 14 54.728 3.960 3.222 122 HD11 ILE 14 HD1 ILE 14 55.903 4.017 0.803 123 HD12 ILE 14 HD2 ILE 14 56.265 5.748 0.592 124 HD13 ILE 14 HD3 ILE 14 55.392 4.860 -0.677 125 H LYS 15 HN LYS 15 51.737 8.431 1.891 126 HA LYS 15 HA LYS 15 52.058 10.715 2.425 127 HB2 LYS 15 HB2 LYS 15 52.729 10.095 5.267 128 HB3 LYS 15 HB1 LYS 15 51.791 11.439 4.630 129 HG2 LYS 15 HG2 LYS 15 49.895 10.043 4.238 130 HG3 LYS 15 HG1 LYS 15 50.808 8.567 4.619 131 HD2 LYS 15 HD2 LYS 15 51.174 9.422 6.934 132 HD3 LYS 15 HD1 LYS 15 50.181 10.847 6.541 133 HE2 LYS 15 HE2 LYS 15 48.851 9.103 7.709 134 HE3 LYS 15 HE1 LYS 15 48.250 9.388 6.059 135 HZ1 LYS 15 HZ1 LYS 15 48.930 7.364 5.371 136 HZ2 LYS 15 HZ2 LYS 15 48.794 6.972 7.019 137 HZ3 LYS 15 HZ3 LYS 15 50.312 7.348 6.355 138 H LYS 16 HN LYS 16 53.713 8.703 1.351 139 HA LYS 16 HA LYS 16 55.991 8.397 0.829 140 HB2 LYS 16 HB2 LYS 16 55.553 10.861 0.243 141 HB3 LYS 16 HB1 LYS 16 56.289 11.219 1.804 142 HG2 LYS 16 HG2 LYS 16 58.200 11.347 0.426 143 HG3 LYS 16 HG1 LYS 16 58.262 9.632 0.877 144 HD2 LYS 16 HD2 LYS 16 56.889 9.144 -1.224 145 HD3 LYS 16 HD1 LYS 16 57.162 10.837 -1.696 146 HE2 LYS 16 HE2 LYS 16 59.382 8.845 -1.058 147 HE3 LYS 16 HE1 LYS 16 58.834 9.255 -2.700 148 HZ1 LYS 16 HZ1 LYS 16 60.759 10.566 -1.316 149 HZ2 LYS 16 HZ2 LYS 16 59.401 11.554 -1.059 150 HZ3 LYS 16 HZ3 LYS 16 59.907 11.195 -2.641 151 H LYS 17 HN LYS 17 54.703 8.056 3.499 152 HA LYS 17 HA LYS 17 55.522 7.206 5.506 153 HB2 LYS 17 HB2 LYS 17 57.869 7.090 4.270 154 HB3 LYS 17 HB1 LYS 17 58.234 8.531 5.249 155 HG2 LYS 17 HG2 LYS 17 57.401 7.167 7.277 156 HG3 LYS 17 HG1 LYS 17 57.481 5.743 6.215 157 HD2 LYS 17 HD2 LYS 17 59.784 7.619 6.916 158 HD3 LYS 17 HD1 LYS 17 59.578 5.941 7.470 159 HE2 LYS 17 HE2 LYS 17 60.196 6.947 4.673 160 HE3 LYS 17 HE1 LYS 17 61.092 5.762 5.651 161 HZ1 LYS 17 HZ1 LYS 17 58.807 4.505 5.526 162 HZ2 LYS 17 HZ2 LYS 17 59.946 4.379 4.273 163 HZ3 LYS 17 HZ3 LYS 17 58.614 5.422 4.112 164 H GLY 18 HN GLY 18 54.279 10.055 4.815 165 HA2 GLY 18 HA1 GLY 18 53.966 11.022 7.403 166 HA3 GLY 18 HA2 GLY 18 55.627 11.581 7.080 167 H ARG 19 HN ARG 19 53.939 11.408 4.290 168 HA ARG 19 HA ARG 19 53.041 13.060 2.950 169 HB2 ARG 19 HB2 ARG 19 52.080 14.038 5.344 170 HB3 ARG 19 HB1 ARG 19 53.350 15.247 5.028 171 HG2 ARG 19 HG2 ARG 19 52.369 15.678 2.785 172 HG3 ARG 19 HG1 ARG 19 51.091 14.483 3.116 173 HD2 ARG 19 HD2 ARG 19 50.234 15.805 4.957 174 HD3 ARG 19 HD1 ARG 19 51.619 16.919 4.868 175 HE ARG 19 HE ARG 19 50.545 18.012 3.068 176 HH11 ARG 19 HH11 ARG 19 48.878 18.269 1.564 177 HH12 ARG 19 HH12 ARG 19 47.711 17.005 1.359 178 HH21 ARG 19 HH21 ARG 19 49.171 14.914 3.709 179 HH22 ARG 19 HH22 ARG 19 47.878 15.105 2.572 180 H LYS 20 HN LYS 20 55.702 12.171 4.359 181 HA LYS 20 HA LYS 20 57.571 14.245 4.349 182 HB2 LYS 20 HB2 LYS 20 58.077 11.616 3.092 183 HB3 LYS 20 HB1 LYS 20 59.194 12.987 3.299 184 HG2 LYS 20 HG2 LYS 20 58.757 12.840 5.811 185 HG3 LYS 20 HG1 LYS 20 57.848 11.341 5.517 186 HD2 LYS 20 HD2 LYS 20 59.846 10.287 4.546 187 HD3 LYS 20 HD1 LYS 20 60.766 11.797 4.755 188 HE2 LYS 20 HE2 LYS 20 59.453 10.277 7.048 189 HE3 LYS 20 HE1 LYS 20 61.160 10.090 6.581 190 HZ1 LYS 20 HZ1 LYS 20 61.411 12.516 6.895 191 HZ2 LYS 20 HZ2 LYS 20 60.994 11.702 8.328 192 HZ3 LYS 20 HZ3 LYS 20 59.820 12.591 7.481 193 H ALA 21 HN ALA 21 55.803 12.693 1.905 194 HA ALA 21 HA ALA 21 57.325 13.365 -0.385 195 HB1 ALA 21 HB1 ALA 21 54.694 14.248 -0.948 196 HB2 ALA 21 HB2 ALA 21 54.543 13.004 0.297 197 HB3 ALA 21 HB3 ALA 21 55.338 12.621 -1.247 198 H VAL 22 HN VAL 22 57.429 14.802 1.908 199 HA VAL 22 HA VAL 22 58.482 17.203 1.257 200 HB VAL 22 HB VAL 22 56.540 18.109 0.047 201 HG11 VAL 22 HG11 VAL 22 54.827 16.784 1.350 202 HG12 VAL 22 HG12 VAL 22 54.403 18.497 1.138 203 HG13 VAL 22 HG13 VAL 22 55.043 17.925 2.695 204 HG21 VAL 22 HG21 VAL 22 56.416 20.259 1.083 205 HG22 VAL 22 HG22 VAL 22 58.022 19.613 1.494 206 HG23 VAL 22 HG23 VAL 22 56.716 19.584 2.702 207 H ILE 23 HN ILE 23 56.460 15.608 3.810 208 HA ILE 23 HA ILE 23 57.413 17.652 5.683 209 HB ILE 23 HB ILE 23 56.089 14.951 5.893 210 HG12 ILE 23 HG12 ILE 23 54.633 16.071 7.418 211 HG13 ILE 23 HG11 ILE 23 55.798 17.384 7.694 212 HG21 ILE 23 HG21 ILE 23 56.597 14.770 8.333 213 HG22 ILE 23 HG22 ILE 23 57.805 16.061 8.157 214 HG23 ILE 23 HG23 ILE 23 58.036 14.504 7.325 215 HD11 ILE 23 HD1 ILE 23 54.888 16.988 4.849 216 HD12 ILE 23 HD2 ILE 23 55.220 18.493 5.732 217 HD13 ILE 23 HD3 ILE 23 53.685 17.635 5.986 218 H ALA 24 HN ALA 24 59.012 15.714 3.466 219 HA ALA 24 HA ALA 24 61.516 16.288 4.163 220 HB1 ALA 24 HB1 ALA 24 61.764 15.575 6.361 221 HB2 ALA 24 HB2 ALA 24 62.318 14.109 5.534 222 HB3 ALA 24 HB3 ALA 24 60.651 14.210 6.141 223 H TRP 25 HN TRP 25 60.001 15.417 2.091 224 HA TRP 25 HA TRP 25 61.866 14.420 0.361 225 HB2 TRP 25 HB2 TRP 25 60.885 12.151 2.043 226 HB3 TRP 25 HB1 TRP 25 60.823 11.830 0.307 227 HD1 TRP 25 HD1 TRP 25 63.038 11.249 3.016 228 HE1 TRP 25 HE1 TRP 25 65.537 11.127 2.313 229 HE3 TRP 25 HE3 TRP 25 62.684 13.413 -1.615 230 HZ2 TRP 25 HZ2 TRP 25 67.136 11.876 0.041 231 HZ3 TRP 25 HZ3 TRP 25 64.711 13.696 -3.031 232 HH2 TRP 25 HH2 TRP 25 66.934 12.931 -2.210 Start of MODEL 10 1 H1 ALA 1 HT1 ALA 1 45.888 3.071 -7.366 2 H2 ALA 1 HT2 ALA 1 44.549 2.096 -7.748 3 H3 ALA 1 HT3 ALA 1 44.576 2.980 -6.297 4 HA ALA 1 HA ALA 1 44.708 4.262 -8.938 5 HB1 ALA 1 HB1 ALA 1 42.652 3.001 -8.922 6 HB2 ALA 1 HB2 ALA 1 42.258 4.706 -8.598 7 HB3 ALA 1 HB3 ALA 1 42.285 3.529 -7.264 8 H GLY 2 HN GLY 2 43.123 6.370 -8.411 9 HA2 GLY 2 HA1 GLY 2 43.506 7.557 -5.812 10 HA3 GLY 2 HA2 GLY 2 44.761 8.128 -6.951 11 H LYS 3 HN LYS 3 41.471 7.170 -7.550 12 HA LYS 3 HA LYS 3 40.873 9.994 -8.284 13 HB2 LYS 3 HB2 LYS 3 39.111 7.601 -8.937 14 HB3 LYS 3 HB1 LYS 3 39.078 9.215 -9.686 15 HG2 LYS 3 HG2 LYS 3 41.386 7.230 -9.918 16 HG3 LYS 3 HG1 LYS 3 40.142 7.499 -11.162 17 HD2 LYS 3 HD2 LYS 3 40.821 9.978 -11.110 18 HD3 LYS 3 HD1 LYS 3 42.230 9.469 -10.148 19 HE2 LYS 3 HE2 LYS 3 42.877 9.555 -12.500 20 HE3 LYS 3 HE1 LYS 3 42.832 7.853 -11.979 21 HZ1 LYS 3 HZ1 LYS 3 41.687 8.511 -14.170 22 HZ2 LYS 3 HZ2 LYS 3 40.449 9.125 -13.181 23 HZ3 LYS 3 HZ3 LYS 3 40.862 7.479 -13.107 24 H GLU 4 HN GLU 4 40.522 7.444 -6.219 25 HA GLU 4 HA GLU 4 38.225 8.575 -4.773 26 HB2 GLU 4 HB2 GLU 4 39.721 6.130 -4.704 27 HB3 GLU 4 HB1 GLU 4 40.176 6.954 -3.192 28 HG2 GLU 4 HG2 GLU 4 38.217 5.550 -2.778 29 HG3 GLU 4 HG1 GLU 4 37.715 7.257 -2.699 30 H THR 5 HN THR 5 41.416 9.279 -5.718 31 HA THR 5 HA THR 5 43.203 10.200 -4.374 32 HB THR 5 HB THR 5 42.521 11.965 -5.915 33 HG1 THR 5 HG1 THR 5 43.210 12.547 -3.330 34 HG21 THR 5 HG21 THR 5 40.056 11.769 -5.257 35 HG22 THR 5 HG22 THR 5 40.646 13.419 -5.561 36 HG23 THR 5 HG23 THR 5 40.428 12.845 -3.890 37 H ILE 6 HN ILE 6 42.657 8.915 -2.840 38 HA ILE 6 HA ILE 6 43.152 9.693 -0.277 39 HB ILE 6 HB ILE 6 40.529 10.547 -0.598 40 HG12 ILE 6 HG12 ILE 6 41.608 9.157 1.890 41 HG13 ILE 6 HG11 ILE 6 41.950 10.838 1.419 42 HG21 ILE 6 HG21 ILE 6 39.868 8.117 -1.154 43 HG22 ILE 6 HG22 ILE 6 38.917 8.945 0.095 44 HG23 ILE 6 HG23 ILE 6 40.165 7.766 0.563 45 HD11 ILE 6 HD1 ILE 6 40.162 11.046 2.959 46 HD12 ILE 6 HD2 ILE 6 39.320 9.617 2.318 47 HD13 ILE 6 HD3 ILE 6 39.350 11.130 1.378 48 H ARG 7 HN ARG 7 42.647 7.956 -2.953 49 HA ARG 7 HA ARG 7 42.120 5.287 -1.735 50 HB2 ARG 7 HB2 ARG 7 42.060 6.370 -4.355 51 HB3 ARG 7 HB1 ARG 7 43.458 5.292 -4.398 52 HG2 ARG 7 HG2 ARG 7 40.705 4.438 -3.385 53 HG3 ARG 7 HG1 ARG 7 41.275 4.193 -5.051 54 HD2 ARG 7 HD2 ARG 7 42.824 3.204 -2.626 55 HD3 ARG 7 HD1 ARG 7 41.607 2.213 -3.464 56 HE ARG 7 HE ARG 7 43.591 3.314 -5.295 57 HH11 ARG 7 HH11 ARG 7 44.588 1.638 -2.744 58 HH12 ARG 7 HH12 ARG 7 44.923 0.140 -3.546 59 HH21 ARG 7 HH21 ARG 7 43.280 1.031 -6.467 60 HH22 ARG 7 HH22 ARG 7 44.183 -0.204 -5.654 61 H GLN 8 HN GLN 8 44.211 6.996 -0.669 62 HA GLN 8 HA GLN 8 46.224 6.714 0.288 63 HB2 GLN 8 HB2 GLN 8 46.613 4.104 -1.252 64 HB3 GLN 8 HB1 GLN 8 47.517 4.669 0.163 65 HG2 GLN 8 HG2 GLN 8 44.519 4.124 0.204 66 HG3 GLN 8 HG1 GLN 8 45.751 2.939 0.694 67 HE21 GLN 8 HE21 GLN 8 47.020 3.369 2.644 68 HE22 GLN 8 HE22 GLN 8 46.490 4.592 3.803 69 H TYR 9 HN TYR 9 45.317 7.689 -2.331 70 HA TYR 9 HA TYR 9 47.983 7.890 -3.708 71 HB2 TYR 9 HB2 TYR 9 46.086 7.335 -5.172 72 HB3 TYR 9 HB1 TYR 9 45.190 8.754 -4.575 73 HD1 TYR 9 HD1 TYR 9 45.748 10.999 -5.312 74 HD2 TYR 9 HD2 TYR 9 48.150 7.630 -6.540 75 HE1 TYR 9 HE1 TYR 9 46.892 12.430 -7.000 76 HE2 TYR 9 HE2 TYR 9 49.293 9.061 -8.230 77 HH TYR 9 HH TYR 9 49.649 11.355 -8.818 78 H LEU 10 HN LEU 10 45.692 9.367 -1.613 79 HA LEU 10 HA LEU 10 46.895 12.102 -2.012 80 HB2 LEU 10 HB2 LEU 10 44.351 11.377 -1.354 81 HB3 LEU 10 HB1 LEU 10 45.020 11.504 0.285 82 HG LEU 10 HG LEU 10 45.036 13.681 -1.867 83 HD11 LEU 10 HD11 LEU 10 43.568 13.416 0.795 84 HD12 LEU 10 HD12 LEU 10 42.836 13.334 -0.823 85 HD13 LEU 10 HD13 LEU 10 43.544 14.857 -0.248 86 HD21 LEU 10 HD21 LEU 10 45.871 15.112 0.086 87 HD22 LEU 10 HD22 LEU 10 47.049 13.953 -0.563 88 HD23 LEU 10 HD23 LEU 10 46.188 13.595 0.956 89 H LYS 11 HN LYS 11 47.548 9.210 -0.713 90 HA LYS 11 HA LYS 11 49.441 10.320 1.348 91 HB2 LYS 11 HB2 LYS 11 47.822 7.770 1.659 92 HB3 LYS 11 HB1 LYS 11 48.968 8.475 2.819 93 HG2 LYS 11 HG2 LYS 11 47.522 10.416 3.149 94 HG3 LYS 11 HG1 LYS 11 46.419 9.856 1.869 95 HD2 LYS 11 HD2 LYS 11 46.064 7.739 3.241 96 HD3 LYS 11 HD1 LYS 11 46.958 8.534 4.560 97 HE2 LYS 11 HE2 LYS 11 44.392 9.527 3.243 98 HE3 LYS 11 HE1 LYS 11 44.561 8.885 4.895 99 HZ1 LYS 11 HZ1 LYS 11 45.024 10.938 5.547 100 HZ2 LYS 11 HZ2 LYS 11 45.019 11.516 3.949 101 HZ3 LYS 11 HZ3 LYS 11 46.449 10.898 4.628 102 H ASN 12 HN ASN 12 48.881 8.594 -1.493 103 HA ASN 12 HA ASN 12 50.316 7.115 -2.584 104 HB2 ASN 12 HB2 ASN 12 52.336 8.558 -0.887 105 HB3 ASN 12 HB1 ASN 12 52.747 7.475 -2.242 106 HD21 ASN 12 HD21 ASN 12 52.269 8.178 -4.427 107 HD22 ASN 12 HD22 ASN 12 51.817 9.852 -4.764 108 H GLU 13 HN GLU 13 49.352 6.641 0.436 109 HA GLU 13 HA GLU 13 49.320 4.738 1.791 110 HB2 GLU 13 HB2 GLU 13 49.811 3.562 -0.536 111 HB3 GLU 13 HB1 GLU 13 51.450 3.370 0.121 112 HG2 GLU 13 HG2 GLU 13 50.408 2.328 2.188 113 HG3 GLU 13 HG1 GLU 13 48.848 2.343 1.331 114 H ILE 14 HN ILE 14 51.581 6.842 1.207 115 HA ILE 14 HA ILE 14 53.383 6.247 3.492 116 HB ILE 14 HB ILE 14 54.965 7.436 1.490 117 HG12 ILE 14 HG12 ILE 14 53.519 4.983 0.474 118 HG13 ILE 14 HG11 ILE 14 53.411 6.632 -0.172 119 HG21 ILE 14 HG21 ILE 14 55.110 4.503 2.247 120 HG22 ILE 14 HG22 ILE 14 55.625 5.779 3.368 121 HG23 ILE 14 HG23 ILE 14 56.440 5.598 1.804 122 HD11 ILE 14 HD1 ILE 14 55.755 4.721 -0.272 123 HD12 ILE 14 HD2 ILE 14 56.003 6.476 -0.447 124 HD13 ILE 14 HD3 ILE 14 54.978 5.599 -1.609 125 H LYS 15 HN LYS 15 51.506 8.608 1.723 126 HA LYS 15 HA LYS 15 51.525 10.869 2.249 127 HB2 LYS 15 HB2 LYS 15 52.559 9.910 4.934 128 HB3 LYS 15 HB1 LYS 15 51.974 11.541 4.597 129 HG2 LYS 15 HG2 LYS 15 49.781 10.443 3.876 130 HG3 LYS 15 HG1 LYS 15 50.417 8.947 4.603 131 HD2 LYS 15 HD2 LYS 15 50.735 10.148 6.761 132 HD3 LYS 15 HD1 LYS 15 50.036 11.614 6.033 133 HE2 LYS 15 HE2 LYS 15 47.920 10.432 5.618 134 HE3 LYS 15 HE1 LYS 15 48.613 8.926 6.267 135 HZ1 LYS 15 HZ1 LYS 15 47.310 10.051 7.945 136 HZ2 LYS 15 HZ2 LYS 15 48.221 11.473 7.762 137 HZ3 LYS 15 HZ3 LYS 15 48.946 10.071 8.390 138 H LYS 16 HN LYS 16 53.287 9.198 0.878 139 HA LYS 16 HA LYS 16 55.450 9.153 0.016 140 HB2 LYS 16 HB2 LYS 16 55.134 12.069 0.814 141 HB3 LYS 16 HB1 LYS 16 56.545 11.443 -0.086 142 HG2 LYS 16 HG2 LYS 16 53.748 10.778 -1.093 143 HG3 LYS 16 HG1 LYS 16 54.383 12.395 -1.412 144 HD2 LYS 16 HD2 LYS 16 56.477 11.230 -2.387 145 HD3 LYS 16 HD1 LYS 16 55.541 9.720 -2.295 146 HE2 LYS 16 HE2 LYS 16 53.735 10.842 -3.657 147 HE3 LYS 16 HE1 LYS 16 54.821 12.236 -3.857 148 HZ1 LYS 16 HZ1 LYS 16 56.473 10.688 -4.811 149 HZ2 LYS 16 HZ2 LYS 16 55.048 10.782 -5.731 150 HZ3 LYS 16 HZ3 LYS 16 55.331 9.437 -4.733 151 H LYS 17 HN LYS 17 54.731 8.530 2.798 152 HA LYS 17 HA LYS 17 55.998 7.723 4.569 153 HB2 LYS 17 HB2 LYS 17 58.114 8.215 3.065 154 HB3 LYS 17 HB1 LYS 17 58.255 9.670 4.066 155 HG2 LYS 17 HG2 LYS 17 59.562 8.164 5.302 156 HG3 LYS 17 HG1 LYS 17 57.983 7.970 6.095 157 HD2 LYS 17 HD2 LYS 17 57.522 5.954 4.778 158 HD3 LYS 17 HD1 LYS 17 59.015 6.187 3.838 159 HE2 LYS 17 HE2 LYS 17 60.367 5.910 5.875 160 HE3 LYS 17 HE1 LYS 17 58.889 5.738 6.852 161 HZ1 LYS 17 HZ1 LYS 17 60.097 3.865 4.941 162 HZ2 LYS 17 HZ2 LYS 17 58.403 3.875 5.085 163 HZ3 LYS 17 HZ3 LYS 17 59.373 3.562 6.445 164 H GLY 18 HN GLY 18 54.163 10.337 4.194 165 HA2 GLY 18 HA1 GLY 18 53.474 11.313 6.499 166 HA3 GLY 18 HA2 GLY 18 55.192 11.680 6.739 167 H ARG 19 HN ARG 19 53.438 12.027 3.713 168 HA ARG 19 HA ARG 19 53.419 13.895 2.369 169 HB2 ARG 19 HB2 ARG 19 53.540 15.624 4.878 170 HB3 ARG 19 HB1 ARG 19 52.739 15.967 3.324 171 HG2 ARG 19 HG2 ARG 19 51.149 14.056 3.807 172 HG3 ARG 19 HG1 ARG 19 51.873 13.939 5.428 173 HD2 ARG 19 HD2 ARG 19 49.926 15.328 5.663 174 HD3 ARG 19 HD1 ARG 19 51.327 16.425 5.715 175 HE ARG 19 HE ARG 19 50.271 16.098 3.016 176 HH11 ARG 19 HH11 ARG 19 50.665 18.518 2.579 177 HH12 ARG 19 HH12 ARG 19 49.563 19.549 3.429 178 HH21 ARG 19 HH21 ARG 19 48.519 17.072 5.619 179 HH22 ARG 19 HH22 ARG 19 48.349 18.731 5.151 180 H LYS 20 HN LYS 20 55.751 12.426 3.815 181 HA LYS 20 HA LYS 20 57.694 14.440 4.480 182 HB2 LYS 20 HB2 LYS 20 58.335 11.865 3.170 183 HB3 LYS 20 HB1 LYS 20 59.465 13.222 3.462 184 HG2 LYS 20 HG2 LYS 20 58.795 13.062 5.948 185 HG3 LYS 20 HG1 LYS 20 58.044 11.512 5.549 186 HD2 LYS 20 HD2 LYS 20 60.246 10.730 4.619 187 HD3 LYS 20 HD1 LYS 20 60.967 12.254 5.172 188 HE2 LYS 20 HE2 LYS 20 60.477 11.742 7.483 189 HE3 LYS 20 HE1 LYS 20 59.489 10.336 7.019 190 HZ1 LYS 20 HZ1 LYS 20 61.998 10.090 7.735 191 HZ2 LYS 20 HZ2 LYS 20 62.271 10.431 6.093 192 HZ3 LYS 20 HZ3 LYS 20 61.318 9.097 6.540 193 H ALA 21 HN ALA 21 56.352 13.145 1.665 194 HA ALA 21 HA ALA 21 58.311 14.077 -0.220 195 HB1 ALA 21 HB1 ALA 21 56.146 15.068 -1.467 196 HB2 ALA 21 HB2 ALA 21 55.357 14.147 -0.180 197 HB3 ALA 21 HB3 ALA 21 56.431 13.329 -1.336 198 H VAL 22 HN VAL 22 57.988 15.290 2.181 199 HA VAL 22 HA VAL 22 59.162 17.714 1.869 200 HB VAL 22 HB VAL 22 57.268 18.755 0.681 201 HG11 VAL 22 HG11 VAL 22 55.104 19.078 1.935 202 HG12 VAL 22 HG12 VAL 22 55.723 17.973 3.187 203 HG13 VAL 22 HG13 VAL 22 55.451 17.380 1.531 204 HG21 VAL 22 HG21 VAL 22 57.282 19.890 3.505 205 HG22 VAL 22 HG22 VAL 22 57.062 20.761 1.968 206 HG23 VAL 22 HG23 VAL 22 58.654 20.084 2.388 207 H ILE 23 HN ILE 23 56.895 15.979 4.180 208 HA ILE 23 HA ILE 23 57.962 17.762 6.237 209 HB ILE 23 HB ILE 23 56.851 14.912 6.480 210 HG12 ILE 23 HG12 ILE 23 55.859 17.653 7.394 211 HG13 ILE 23 HG11 ILE 23 55.287 16.802 5.947 212 HG21 ILE 23 HG21 ILE 23 58.387 14.992 8.280 213 HG22 ILE 23 HG22 ILE 23 56.900 15.606 9.022 214 HG23 ILE 23 HG23 ILE 23 58.169 16.741 8.518 215 HD11 ILE 23 HD1 ILE 23 53.662 15.927 7.332 216 HD12 ILE 23 HD2 ILE 23 54.560 16.367 8.802 217 HD13 ILE 23 HD3 ILE 23 54.946 14.860 7.946 218 H ALA 24 HN ALA 24 59.523 15.929 3.891 219 HA ALA 24 HA ALA 24 62.067 16.295 4.629 220 HB1 ALA 24 HB1 ALA 24 62.729 14.061 5.936 221 HB2 ALA 24 HB2 ALA 24 61.053 14.175 6.517 222 HB3 ALA 24 HB3 ALA 24 62.196 15.503 6.822 223 H TRP 25 HN TRP 25 60.594 15.682 2.445 224 HA TRP 25 HA TRP 25 60.595 14.388 0.508 225 HB2 TRP 25 HB2 TRP 25 62.951 15.352 0.655 226 HB3 TRP 25 HB1 TRP 25 63.467 13.776 1.297 227 HD1 TRP 25 HD1 TRP 25 61.266 14.896 -1.710 228 HE1 TRP 25 HE1 TRP 25 61.964 13.534 -3.812 229 HE3 TRP 25 HE3 TRP 25 64.977 12.049 0.371 230 HZ2 TRP 25 HZ2 TRP 25 63.883 11.490 -4.467 231 HZ3 TRP 25 HZ3 TRP 25 66.229 10.399 -1.011 232 HH2 TRP 25 HH2 TRP 25 65.685 10.117 -3.426
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