NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
649659 | 6vgt | 30710 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ABA 1 HT1 ABU 1 8.739 -14.037 -9.881 2 H2 ABA 1 HT2 ABU 1 7.367 -13.918 -8.885 3 H3 ABA 1 HT3 ABU 1 8.503 -15.155 -8.627 4 HA ABA 1 HA ABU 1 8.447 -12.588 -7.510 5 HB2 ABA 1 HB2 ABU 1 10.270 -14.993 -7.374 6 HG1 ABA 1 HG1 ABU 1 7.871 -14.012 -6.009 7 HG3 ABA 1 HG3 ABU 1 8.561 -15.634 -6.034 8 HG2 ABA 1 HG2 ABU 1 9.164 -14.437 -4.888 9 H DBU 2 HN DHB 2 11.073 -14.203 -9.324 10 HB DBU 2 HB DHB 2 13.603 -12.596 -11.689 11 HG1 DBU 2 HG1 DHB 2 13.573 -15.048 -11.977 12 HG2 DBU 2 HG2 DHB 2 12.097 -14.472 -12.754 13 HG3 DBU 2 HG3 DHB 2 12.028 -15.168 -11.135 14 HA PRO 3 HA PRO 3 13.782 -8.758 -9.843 15 HB2 PRO 3 HB2 PRO 3 11.466 -7.698 -11.396 16 HB3 PRO 3 HB1 PRO 3 13.176 -7.272 -11.502 17 HG2 PRO 3 HG2 PRO 3 12.052 -8.753 -13.353 18 HG3 PRO 3 HG1 PRO 3 13.689 -9.118 -12.775 19 HD2 PRO 3 HD2 PRO 3 11.115 -10.482 -12.123 20 HD3 PRO 3 HD1 PRO 3 12.723 -11.178 -12.377 21 H VAL 4 HN VAL 4 10.291 -9.373 -9.730 22 HA VAL 4 HA VAL 4 9.574 -7.292 -7.978 23 HB VAL 4 HB VAL 4 8.357 -9.958 -8.647 24 HG11 VAL 4 HG11 VAL 4 7.902 -8.367 -6.256 25 HG12 VAL 4 HG12 VAL 4 7.238 -9.943 -6.689 26 HG13 VAL 4 HG13 VAL 4 6.444 -8.468 -7.243 27 HG21 VAL 4 HG21 VAL 4 6.562 -8.412 -9.504 28 HG22 VAL 4 HG22 VAL 4 8.121 -8.200 -10.304 29 HG23 VAL 4 HG23 VAL 4 7.598 -7.052 -9.072 30 H CYS 5 HN CYS 5 9.627 -10.731 -7.059 31 HA CYS 5 HA CYS 5 9.834 -10.194 -4.286 32 HB2 CYS 5 HB2 CYS 5 10.039 -12.552 -4.014 33 HB3 CYS 5 HB1 CYS 5 8.966 -12.301 -5.390 34 H ALA 6 HN ALA 6 12.239 -11.155 -6.707 35 HA ALA 6 HA ALA 6 14.442 -11.496 -5.031 36 HB1 ALA 6 HB1 ALA 6 14.588 -10.222 -7.766 37 HB2 ALA 6 HB2 ALA 6 14.324 -11.950 -7.525 38 HB3 ALA 6 HB3 ALA 6 15.817 -11.199 -6.961 39 H VAL 7 HN VAL 7 13.254 -8.512 -6.574 40 HA VAL 7 HA VAL 7 15.288 -6.821 -5.591 41 HB VAL 7 HB VAL 7 12.467 -6.318 -6.532 42 HG11 VAL 7 HG11 VAL 7 13.354 -3.878 -6.599 43 HG12 VAL 7 HG12 VAL 7 14.524 -4.432 -5.401 44 HG13 VAL 7 HG13 VAL 7 12.797 -4.519 -5.054 45 HG21 VAL 7 HG21 VAL 7 14.356 -7.019 -8.110 46 HG22 VAL 7 HG22 VAL 7 15.124 -5.480 -7.719 47 HG23 VAL 7 HG23 VAL 7 13.547 -5.503 -8.508 48 H ALA 8 HN ALA 8 12.067 -7.648 -4.337 49 HA ALA 8 HA ALA 8 12.116 -5.923 -2.102 50 HB1 ALA 8 HB1 ALA 8 10.030 -6.898 -2.805 51 HB2 ALA 8 HB2 ALA 8 10.381 -7.492 -1.182 52 HB3 ALA 8 HB3 ALA 8 10.660 -8.530 -2.580 53 H ALA 9 HN ALA 9 13.278 -9.223 -2.584 54 HA ALA 9 HA ALA 9 13.859 -9.813 0.119 55 HB1 ALA 9 HB1 ALA 9 14.430 -11.792 -0.765 56 HB2 ALA 9 HB2 ALA 9 15.739 -11.053 -1.688 57 HB3 ALA 9 HB3 ALA 9 14.110 -11.115 -2.362 58 H DBU 10 HN DHB 10 15.720 -8.218 -2.438 59 HB DBU 10 HB DHB 10 19.421 -7.017 -1.867 60 HG1 DBU 10 HG1 DHB 10 17.945 -9.132 -3.502 61 HG2 DBU 10 HG2 DHB 10 19.393 -9.587 -2.605 62 HG3 DBU 10 HG3 DHB 10 19.494 -8.381 -3.888 63 H ALA 11 HN ALA 11 15.468 -5.850 -1.320 64 HA ALA 11 HA ALA 11 16.629 -3.821 0.268 65 HB1 ALA 11 HB1 ALA 11 14.243 -4.172 -1.147 66 HB2 ALA 11 HB2 ALA 11 14.737 -2.731 -0.258 67 HB3 ALA 11 HB3 ALA 11 13.742 -3.955 0.531 68 H ALA 12 HN ALA 12 14.647 -6.636 1.064 69 HA ALA 12 HA ALA 12 14.190 -6.003 3.783 70 HB1 ALA 12 HB1 ALA 12 14.027 -8.630 3.901 71 HB2 ALA 12 HB2 ALA 12 14.103 -8.506 2.144 72 HB3 ALA 12 HB3 ALA 12 12.807 -7.701 3.030 73 H ALA 13 HN ALA 13 16.805 -7.716 2.135 74 HA ALA 13 HA ALA 13 18.137 -8.721 4.398 75 HB1 ALA 13 HB1 ALA 13 19.017 -9.619 2.478 76 HB2 ALA 13 HB2 ALA 13 20.196 -8.335 2.742 77 HB3 ALA 13 HB3 ALA 13 18.887 -8.106 1.583 78 H ALA 14 HN ALA 14 18.553 -5.656 2.640 79 HA ALA 14 HA ALA 14 20.641 -4.653 4.259 80 HB2 ALA 14 HB2 ALA 14 19.427 -3.814 1.963 81 HB3 ALA 14 HB3 ALA 14 18.794 -2.656 3.131 82 H DHA 15 HN DHA 15 17.120 -4.535 4.556 83 HB1 DHA 15 HB1 DHA 15 14.836 -3.438 5.594 84 HB2 DHA 15 HB2 DHA 15 15.010 -3.034 7.398 85 H ALA 16 HN ALA 16 18.113 -5.516 7.524 86 HA ALA 16 HA ALA 16 18.867 -3.948 9.872 87 HB1 ALA 16 HB1 ALA 16 18.330 -6.016 10.674 88 HB2 ALA 16 HB2 ALA 16 20.028 -6.330 10.311 89 HB3 ALA 16 HB3 ALA 16 18.776 -6.831 9.174 90 H ALA 17 HN ALA 17 20.474 -5.833 7.297 91 HA ALA 17 HA ALA 17 23.122 -5.285 8.069 92 HB1 ALA 17 HB1 ALA 17 21.848 -6.018 5.445 93 HB2 ALA 17 HB2 ALA 17 22.852 -7.011 6.500 94 HB3 ALA 17 HB3 ALA 17 23.579 -5.706 5.563 95 H CYS 18 HN CYS 18 21.083 -3.647 5.648 96 HA CYS 18 HA CYS 18 22.956 -1.658 4.949 97 HB2 CYS 18 HB2 CYS 18 19.933 -1.716 4.821 98 HB3 CYS 18 HB1 CYS 18 20.915 -0.427 4.129 99 H GLY 19 HN GLY 19 20.371 -1.756 7.366 100 HA2 GLY 19 HA2 GLY 19 20.811 0.941 8.270 101 HA3 GLY 19 HA1 GLY 19 19.789 -0.267 9.043 102 H TRP 20 HN TRP 20 22.106 -2.192 9.019 103 HA TRP 20 HA TRP 20 23.031 -1.760 11.641 104 HB2 TRP 20 HB2 TRP 20 22.988 -3.961 10.502 105 HB3 TRP 20 HB1 TRP 20 24.306 -3.430 9.464 106 HD1 TRP 20 HD1 TRP 20 24.447 -2.203 12.994 107 HE1 TRP 20 HE1 TRP 20 26.325 -3.446 14.267 108 HE3 TRP 20 HE3 TRP 20 25.578 -5.875 9.621 109 HZ2 TRP 20 HZ2 TRP 20 28.045 -5.651 13.926 110 HZ3 TRP 20 HZ3 TRP 20 27.349 -7.534 10.138 111 HH2 TRP 20 HH2 TRP 20 28.573 -7.410 12.294 112 H VAL 21 HN VAL 21 24.694 -1.351 8.526 113 HA VAL 21 HA VAL 21 27.052 -0.228 9.702 114 HB VAL 21 HB VAL 21 26.337 0.296 6.853 115 HG11 VAL 21 HG11 VAL 21 28.568 0.710 8.255 116 HG12 VAL 21 HG12 VAL 21 28.624 0.227 6.559 117 HG13 VAL 21 HG13 VAL 21 28.854 -0.976 7.827 118 HG21 VAL 21 HG21 VAL 21 27.453 -2.246 6.822 119 HG22 VAL 21 HG22 VAL 21 25.756 -1.872 6.524 120 HG23 VAL 21 HG23 VAL 21 26.285 -2.340 8.140 121 H GLY 22 HN GLY 22 25.896 1.376 11.051 122 HA2 GLY 22 HA2 GLY 22 24.896 3.720 9.590 123 HA3 GLY 22 HA1 GLY 22 24.729 3.429 11.319 124 H GLY 23 HN GLY 23 27.830 2.650 10.337 125 HA2 GLY 23 HA2 GLY 23 28.889 5.367 10.695 126 HA3 GLY 23 HA1 GLY 23 29.392 4.123 11.835 127 H GLY 24 HN GLY 24 29.533 1.944 10.041 128 HA2 GLY 24 HA2 GLY 24 32.152 2.257 9.021 129 HA3 GLY 24 HA1 GLY 24 31.077 0.904 8.688 130 H ILE 25 HN ILE 25 28.962 2.359 7.483 131 HA ILE 25 HA ILE 25 29.901 2.501 4.809 132 HB ILE 25 HB ILE 25 27.496 2.064 5.837 133 HG12 ILE 25 HG12 ILE 25 28.183 1.832 3.457 134 HG13 ILE 25 HG11 ILE 25 26.566 2.524 3.615 135 HG21 ILE 25 HG21 ILE 25 27.390 5.006 5.110 136 HG22 ILE 25 HG22 ILE 25 27.356 4.390 6.762 137 HG23 ILE 25 HG23 ILE 25 26.043 4.004 5.650 138 HD11 ILE 25 HD11 ILE 25 29.146 3.958 2.966 139 HD12 ILE 25 HD12 ILE 25 27.703 4.819 3.499 140 HD13 ILE 25 HD13 ILE 25 27.670 3.887 2.003 141 H PHE 26 HN PHE 26 29.031 4.962 7.197 142 HA PHE 26 HA PHE 26 29.289 7.222 5.537 143 HB2 PHE 26 HB2 PHE 26 28.232 7.308 7.755 144 HB3 PHE 26 HB1 PHE 26 29.791 6.981 8.515 145 HD1 PHE 26 HD1 PHE 26 28.174 9.352 6.101 146 HD2 PHE 26 HD2 PHE 26 31.161 8.773 9.134 147 HE1 PHE 26 HE1 PHE 26 28.716 11.771 6.029 148 HE2 PHE 26 HE2 PHE 26 31.703 11.193 9.062 149 HZ PHE 26 HZ PHE 26 30.480 12.691 7.509 150 H THR 27 HN THR 27 31.650 5.602 7.648 151 HA THR 27 HA THR 27 33.794 7.372 7.159 152 HB THR 27 HB THR 27 33.935 5.856 9.020 153 HG1 THR 27 HG1 THR 27 35.773 4.597 7.395 154 HG21 THR 27 HG21 THR 27 34.003 3.425 8.720 155 HG22 THR 27 HG22 THR 27 33.837 3.621 6.975 156 HG23 THR 27 HG23 THR 27 32.509 4.074 8.043 157 H GLY 28 HN GLY 28 32.848 4.324 5.587 158 HA2 GLY 28 HA2 GLY 28 35.015 4.236 3.762 159 HA3 GLY 28 HA1 GLY 28 33.480 3.391 3.578 160 H VAL 29 HN VAL 29 31.724 5.565 3.518 161 HA VAL 29 HA VAL 29 31.876 6.346 0.806 162 HB VAL 29 HB VAL 29 30.139 7.007 3.139 163 HG11 VAL 29 HG11 VAL 29 30.192 9.202 2.401 164 HG12 VAL 29 HG12 VAL 29 28.929 8.552 1.355 165 HG13 VAL 29 HG13 VAL 29 30.572 8.746 0.740 166 HG21 VAL 29 HG21 VAL 29 29.967 5.144 1.236 167 HG22 VAL 29 HG22 VAL 29 29.208 6.466 0.349 168 HG23 VAL 29 HG23 VAL 29 28.525 5.927 1.883 169 H DBU 30 HN DHB 30 32.520 8.128 3.831 170 HB DBU 30 HB DHB 30 33.843 11.848 3.640 171 HG1 DBU 30 HG1 DHB 30 31.063 11.035 3.086 172 HG2 DBU 30 HG2 DHB 30 31.600 12.429 4.022 173 HG3 DBU 30 HG3 DHB 30 31.416 10.858 4.805 174 H VAL 31 HN VAL 31 35.006 7.808 3.886 175 HA VAL 31 HA VAL 31 37.587 8.879 3.483 176 HB VAL 31 HB VAL 31 36.549 6.064 3.801 177 HG11 VAL 31 HG11 VAL 31 39.358 7.082 3.358 178 HG12 VAL 31 HG12 VAL 31 38.526 5.778 2.512 179 HG13 VAL 31 HG13 VAL 31 39.037 5.559 4.186 180 HG21 VAL 31 HG21 VAL 31 38.450 7.326 5.694 181 HG22 VAL 31 HG22 VAL 31 37.010 6.361 6.022 182 HG23 VAL 31 HG23 VAL 31 36.853 8.071 5.620 183 H VAL 32 HN VAL 32 35.572 6.705 1.506 184 HA VAL 32 HA VAL 32 37.452 6.331 -0.566 185 HB VAL 32 HB VAL 32 34.459 6.062 -0.403 186 HG11 VAL 32 HG11 VAL 32 36.115 6.362 -2.770 187 HG12 VAL 32 HG12 VAL 32 34.363 6.222 -2.648 188 HG13 VAL 32 HG13 VAL 32 35.361 4.769 -2.721 189 HG21 VAL 32 HG21 VAL 32 36.868 4.340 -0.204 190 HG22 VAL 32 HG22 VAL 32 35.512 3.655 -1.101 191 HG23 VAL 32 HG23 VAL 32 35.294 4.166 0.574 192 H VAL 33 HN VAL 33 34.755 8.626 -0.212 193 HA VAL 33 HA VAL 33 35.108 9.878 -2.721 194 HB VAL 33 HB VAL 33 33.743 11.677 -1.796 195 HG11 VAL 33 HG11 VAL 33 33.065 8.817 -1.336 196 HG12 VAL 33 HG12 VAL 33 32.260 10.013 -2.352 197 HG13 VAL 33 HG13 VAL 33 31.992 10.013 -0.608 198 HG21 VAL 33 HG21 VAL 33 34.222 10.281 0.851 199 HG22 VAL 33 HG22 VAL 33 33.106 11.624 0.601 200 HG23 VAL 33 HG23 VAL 33 34.840 11.869 0.390 201 H DAL 34 HN DAL 34 36.327 10.629 0.521 202 HA DAL 34 HA DAL 34 38.172 11.848 1.174 203 HB1 DAL 34 HB2 DAL 34 37.808 13.648 -1.191 204 HB2 DAL 34 HB3 DAL 34 36.544 13.586 0.019 205 H LEU 35 HN LEU 35 39.522 10.067 0.638 206 HA LEU 35 HA LEU 35 41.816 10.406 -0.620 207 HB2 LEU 35 HB2 LEU 35 41.194 8.303 0.479 208 HB3 LEU 35 HB1 LEU 35 40.146 7.892 -0.879 209 HG LEU 35 HG LEU 35 42.058 7.850 -2.389 210 HD11 LEU 35 HD11 LEU 35 43.817 9.166 -1.858 211 HD12 LEU 35 HD12 LEU 35 44.272 7.961 -0.654 212 HD13 LEU 35 HD13 LEU 35 43.252 9.326 -0.194 213 HD21 LEU 35 HD21 LEU 35 42.661 5.752 -1.745 214 HD22 LEU 35 HD22 LEU 35 41.538 6.004 -0.409 215 HD23 LEU 35 HD23 LEU 35 43.259 6.310 -0.183 216 H LYS 36 HN LYS 36 38.763 9.778 -2.317 217 HA LYS 36 HA LYS 36 39.879 9.452 -4.891 218 HB2 LYS 36 HB2 LYS 36 37.662 8.690 -4.519 219 HB3 LYS 36 HB1 LYS 36 37.151 10.258 -3.895 220 HG2 LYS 36 HG2 LYS 36 36.337 10.215 -6.106 221 HG3 LYS 36 HG1 LYS 36 37.804 11.185 -6.195 222 HD2 LYS 36 HD2 LYS 36 38.315 9.764 -7.913 223 HD3 LYS 36 HD1 LYS 36 38.847 8.715 -6.598 224 HE2 LYS 36 HE2 LYS 36 37.162 7.247 -6.944 225 HE3 LYS 36 HE1 LYS 36 35.966 8.535 -7.097 226 HZ1 LYS 36 HZ1 LYS 36 37.110 8.930 -9.358 227 HZ2 LYS 36 HZ2 LYS 36 36.010 7.644 -9.201 228 HZ3 LYS 36 HZ3 LYS 36 37.681 7.344 -9.170 229 H HIS 37 HN HIS 37 38.499 12.293 -3.237 230 HA HIS 37 HA HIS 37 39.723 14.002 -5.326 231 HB2 HIS 37 HB2 HIS 37 37.300 14.598 -3.611 232 HB3 HIS 37 HB1 HIS 37 37.948 15.615 -4.902 233 HD2 HIS 37 HD2 HIS 37 35.596 12.577 -4.482 234 HE1 HIS 37 HE1 HIS 37 36.266 13.036 -8.627 235 HE2 HIS 37 HE2 HIS 37 34.870 11.832 -6.878 236 H CYS 38 HN CYS 38 39.270 13.483 -1.896 237 HA CYS 38 HA CYS 38 40.192 15.898 -0.860 238 HB2 CYS 38 HB2 CYS 38 40.307 13.067 0.169 239 HB3 CYS 38 HB1 CYS 38 40.944 14.416 1.096 Start of MODEL 2 1 H1 ABA 1 HT1 ABU 1 16.478 -8.981 -12.695 2 H2 ABA 1 HT2 ABU 1 17.567 -10.234 -12.330 3 H3 ABA 1 HT3 ABU 1 18.125 -8.805 -13.060 4 HA ABA 1 HA ABU 1 16.948 -8.991 -10.341 5 HB2 ABA 1 HB2 ABU 1 19.758 -8.154 -10.734 6 HG1 ABA 1 HG1 ABU 1 20.488 -10.579 -10.837 7 HG3 ABA 1 HG3 ABU 1 18.824 -10.990 -11.252 8 HG2 ABA 1 HG2 ABU 1 19.773 -9.966 -12.328 9 H DBU 2 HN DHB 2 19.127 -6.988 -12.359 10 HB DBU 2 HB DHB 2 18.744 -3.246 -13.120 11 HG1 DBU 2 HG1 DHB 2 19.489 -5.966 -14.340 12 HG2 DBU 2 HG2 DHB 2 20.305 -4.440 -14.685 13 HG3 DBU 2 HG3 DHB 2 18.655 -4.706 -15.251 14 HA PRO 3 HA PRO 3 16.871 -2.136 -9.452 15 HB2 PRO 3 HB2 PRO 3 14.111 -2.979 -10.193 16 HB3 PRO 3 HB1 PRO 3 14.773 -1.352 -9.992 17 HG2 PRO 3 HG2 PRO 3 14.253 -2.334 -12.376 18 HG3 PRO 3 HG1 PRO 3 15.687 -1.328 -12.092 19 HD2 PRO 3 HD2 PRO 3 15.482 -4.281 -12.409 20 HD3 PRO 3 HD1 PRO 3 16.751 -3.174 -12.966 21 H VAL 4 HN VAL 4 15.309 -5.300 -9.892 22 HA VAL 4 HA VAL 4 14.349 -5.605 -7.250 23 HB VAL 4 HB VAL 4 15.097 -7.624 -9.370 24 HG11 VAL 4 HG11 VAL 4 15.267 -8.560 -7.047 25 HG12 VAL 4 HG12 VAL 4 13.986 -9.300 -8.007 26 HG13 VAL 4 HG13 VAL 4 13.587 -8.093 -6.783 27 HG21 VAL 4 HG21 VAL 4 13.131 -5.987 -9.652 28 HG22 VAL 4 HG22 VAL 4 12.368 -6.855 -8.319 29 HG23 VAL 4 HG23 VAL 4 12.760 -7.703 -9.814 30 H CYS 5 HN CYS 5 17.353 -6.721 -8.805 31 HA CYS 5 HA CYS 5 18.415 -7.922 -6.445 32 HB2 CYS 5 HB2 CYS 5 19.681 -7.034 -9.040 33 HB3 CYS 5 HB1 CYS 5 20.589 -7.822 -7.747 34 H ALA 6 HN ALA 6 18.842 -4.766 -7.996 35 HA ALA 6 HA ALA 6 20.848 -3.795 -6.259 36 HB1 ALA 6 HB1 ALA 6 20.414 -1.655 -7.200 37 HB2 ALA 6 HB2 ALA 6 18.760 -2.097 -7.623 38 HB3 ALA 6 HB3 ALA 6 20.115 -2.815 -8.494 39 H VAL 7 HN VAL 7 17.302 -3.635 -6.128 40 HA VAL 7 HA VAL 7 17.145 -1.954 -3.852 41 HB VAL 7 HB VAL 7 15.216 -3.925 -5.086 42 HG11 VAL 7 HG11 VAL 7 13.518 -2.998 -3.594 43 HG12 VAL 7 HG12 VAL 7 14.722 -1.957 -2.836 44 HG13 VAL 7 HG13 VAL 7 14.822 -3.706 -2.642 45 HG21 VAL 7 HG21 VAL 7 14.163 -1.979 -5.978 46 HG22 VAL 7 HG22 VAL 7 15.888 -1.722 -6.233 47 HG23 VAL 7 HG23 VAL 7 15.063 -0.909 -4.904 48 H ALA 8 HN ALA 8 17.102 -5.486 -4.247 49 HA ALA 8 HA ALA 8 16.679 -6.119 -1.527 50 HB1 ALA 8 HB1 ALA 8 17.237 -8.346 -2.112 51 HB2 ALA 8 HB2 ALA 8 18.252 -7.822 -3.456 52 HB3 ALA 8 HB3 ALA 8 16.499 -7.663 -3.562 53 H ALA 9 HN ALA 9 19.614 -5.564 -3.417 54 HA ALA 9 HA ALA 9 21.474 -6.355 -1.437 55 HB1 ALA 9 HB1 ALA 9 22.842 -6.002 -3.172 56 HB2 ALA 9 HB2 ALA 9 22.606 -4.264 -2.984 57 HB3 ALA 9 HB3 ALA 9 21.548 -5.189 -4.052 58 H DBU 10 HN DHB 10 19.849 -3.285 -2.110 59 HB DBU 10 HB DHB 10 20.768 -0.064 0.008 60 HG1 DBU 10 HG1 DHB 10 21.055 0.095 -2.638 61 HG2 DBU 10 HG2 DHB 10 22.051 -1.348 -2.451 62 HG3 DBU 10 HG3 DHB 10 22.532 0.161 -1.674 63 H ALA 11 HN ALA 11 17.990 -2.934 -0.309 64 HA ALA 11 HA ALA 11 17.375 -2.242 2.348 65 HB1 ALA 11 HB1 ALA 11 15.649 -4.218 1.978 66 HB2 ALA 11 HB2 ALA 11 16.197 -4.080 0.307 67 HB3 ALA 11 HB3 ALA 11 15.475 -2.689 1.117 68 H ALA 12 HN ALA 12 18.554 -5.285 0.940 69 HA ALA 12 HA ALA 12 18.513 -6.774 3.357 70 HB1 ALA 12 HB1 ALA 12 18.631 -7.833 1.135 71 HB2 ALA 12 HB2 ALA 12 19.966 -8.353 2.165 72 HB3 ALA 12 HB3 ALA 12 20.244 -7.156 0.901 73 H ALA 13 HN ALA 13 20.958 -4.749 1.804 74 HA ALA 13 HA ALA 13 23.128 -5.413 3.484 75 HB1 ALA 13 HB1 ALA 13 22.469 -3.008 1.796 76 HB2 ALA 13 HB2 ALA 13 23.681 -4.256 1.509 77 HB3 ALA 13 HB3 ALA 13 23.929 -3.060 2.783 78 H ALA 14 HN ALA 14 20.591 -2.959 3.741 79 HA ALA 14 HA ALA 14 21.623 -1.631 6.016 80 HB2 ALA 14 HB2 ALA 14 19.543 -1.174 4.322 81 HB3 ALA 14 HB3 ALA 14 18.688 -1.740 5.757 82 H DHA 15 HN DHA 15 19.540 -4.467 5.637 83 HB1 DHA 15 HB1 DHA 15 17.696 -6.223 6.660 84 HB2 DHA 15 HB2 DHA 15 18.125 -6.764 8.382 85 H ALA 16 HN ALA 16 21.847 -5.453 7.702 86 HA ALA 16 HA ALA 16 21.984 -5.344 10.623 87 HB1 ALA 16 HB1 ALA 16 24.359 -5.681 8.819 88 HB2 ALA 16 HB2 ALA 16 23.245 -7.024 9.085 89 HB3 ALA 16 HB3 ALA 16 24.100 -6.304 10.449 90 H ALA 17 HN ALA 17 23.467 -3.713 7.816 91 HA ALA 17 HA ALA 17 24.912 -1.788 9.272 92 HB1 ALA 17 HB1 ALA 17 24.874 -2.441 6.698 93 HB2 ALA 17 HB2 ALA 17 25.401 -0.844 7.228 94 HB3 ALA 17 HB3 ALA 17 23.764 -1.074 6.611 95 H CYS 18 HN CYS 18 21.692 -1.568 7.765 96 HA CYS 18 HA CYS 18 21.128 1.073 8.542 97 HB2 CYS 18 HB2 CYS 18 19.355 -1.286 7.905 98 HB3 CYS 18 HB1 CYS 18 18.713 0.313 8.280 99 H GLY 19 HN GLY 19 20.642 -2.018 10.180 100 HA2 GLY 19 HA2 GLY 19 19.281 -0.793 12.434 101 HA3 GLY 19 HA1 GLY 19 19.733 -2.489 12.279 102 H TRP 20 HN TRP 20 22.228 -2.806 12.248 103 HA TRP 20 HA TRP 20 23.254 -2.050 14.744 104 HB2 TRP 20 HB2 TRP 20 24.539 -3.158 12.254 105 HB3 TRP 20 HB1 TRP 20 25.482 -2.799 13.698 106 HD1 TRP 20 HD1 TRP 20 22.005 -4.465 13.257 107 HE1 TRP 20 HE1 TRP 20 22.033 -6.690 14.586 108 HE3 TRP 20 HE3 TRP 20 26.810 -4.458 14.992 109 HZ2 TRP 20 HZ2 TRP 20 23.794 -8.232 16.135 110 HZ3 TRP 20 HZ3 TRP 20 27.625 -6.334 16.396 111 HH2 TRP 20 HH2 TRP 20 26.104 -8.213 16.957 112 H VAL 21 HN VAL 21 23.727 -0.634 11.527 113 HA VAL 21 HA VAL 21 24.982 1.191 10.860 114 HB VAL 21 HB VAL 21 22.839 2.101 11.616 115 HG11 VAL 21 HG11 VAL 21 24.292 2.458 14.253 116 HG12 VAL 21 HG12 VAL 21 22.933 1.373 13.959 117 HG13 VAL 21 HG13 VAL 21 22.701 3.120 13.876 118 HG21 VAL 21 HG21 VAL 21 23.550 4.261 11.401 119 HG22 VAL 21 HG22 VAL 21 25.067 3.450 11.008 120 HG23 VAL 21 HG23 VAL 21 24.801 4.081 12.634 121 H GLY 22 HN GLY 22 26.505 -0.519 12.548 122 HA2 GLY 22 HA2 GLY 22 27.803 0.897 14.642 123 HA3 GLY 22 HA1 GLY 22 28.425 -0.534 13.822 124 H GLY 23 HN GLY 23 27.653 1.789 11.541 125 HA2 GLY 23 HA2 GLY 23 30.373 2.962 11.602 126 HA3 GLY 23 HA1 GLY 23 29.732 2.255 10.121 127 H GLY 24 HN GLY 24 27.585 3.909 12.277 128 HA2 GLY 24 HA2 GLY 24 26.485 5.932 12.150 129 HA3 GLY 24 HA1 GLY 24 27.812 6.518 11.151 130 H ILE 25 HN ILE 25 26.696 3.694 9.796 131 HA ILE 25 HA ILE 25 25.372 3.174 8.015 132 HB ILE 25 HB ILE 25 23.805 4.866 9.543 133 HG12 ILE 25 HG12 ILE 25 23.375 2.637 8.284 134 HG13 ILE 25 HG11 ILE 25 22.031 3.762 8.480 135 HG21 ILE 25 HG21 ILE 25 24.317 6.780 8.099 136 HG22 ILE 25 HG22 ILE 25 22.642 6.281 7.845 137 HG23 ILE 25 HG23 ILE 25 23.883 5.842 6.671 138 HD11 ILE 25 HD11 ILE 25 23.622 4.298 6.072 139 HD12 ILE 25 HD12 ILE 25 21.874 4.135 6.245 140 HD13 ILE 25 HD13 ILE 25 22.880 2.698 6.064 141 H PHE 26 HN PHE 26 26.128 6.640 8.147 142 HA PHE 26 HA PHE 26 26.211 7.029 5.355 143 HB2 PHE 26 HB2 PHE 26 26.756 8.585 7.745 144 HB3 PHE 26 HB1 PHE 26 27.966 8.900 6.501 145 HD1 PHE 26 HD1 PHE 26 24.287 8.751 7.116 146 HD2 PHE 26 HD2 PHE 26 27.447 10.198 4.592 147 HE1 PHE 26 HE1 PHE 26 22.657 10.149 5.874 148 HE2 PHE 26 HE2 PHE 26 25.819 11.594 3.351 149 HZ PHE 26 HZ PHE 26 23.426 11.570 3.990 150 H THR 27 HN THR 27 28.577 5.916 7.698 151 HA THR 27 HA THR 27 30.899 6.254 6.125 152 HB THR 27 HB THR 27 30.398 4.070 8.159 153 HG1 THR 27 HG1 THR 27 30.051 6.529 8.599 154 HG21 THR 27 HG21 THR 27 32.497 3.579 7.410 155 HG22 THR 27 HG22 THR 27 32.954 4.897 8.488 156 HG23 THR 27 HG23 THR 27 32.755 5.198 6.761 157 H GLY 28 HN GLY 28 28.770 3.424 6.572 158 HA2 GLY 28 HA2 GLY 28 30.148 1.781 4.691 159 HA3 GLY 28 HA1 GLY 28 28.533 1.490 5.334 160 H VAL 29 HN VAL 29 27.186 3.756 4.495 161 HA VAL 29 HA VAL 29 26.578 3.125 1.804 162 HB VAL 29 HB VAL 29 25.816 5.451 3.577 163 HG11 VAL 29 HG11 VAL 29 25.723 5.327 0.758 164 HG12 VAL 29 HG12 VAL 29 24.928 6.501 1.806 165 HG13 VAL 29 HG13 VAL 29 24.076 5.036 1.319 166 HG21 VAL 29 HG21 VAL 29 24.047 4.162 4.194 167 HG22 VAL 29 HG22 VAL 29 25.014 2.815 3.596 168 HG23 VAL 29 HG23 VAL 29 23.801 3.559 2.555 169 H DBU 30 HN DHB 30 28.399 5.779 3.314 170 HB DBU 30 HB DHB 30 30.045 8.572 1.048 171 HG1 DBU 30 HG1 DHB 30 28.018 8.813 3.086 172 HG2 DBU 30 HG2 DHB 30 27.163 8.440 1.589 173 HG3 DBU 30 HG3 DHB 30 28.191 9.870 1.684 174 H VAL 31 HN VAL 31 30.662 4.805 2.889 175 HA VAL 31 HA VAL 31 33.086 4.886 1.434 176 HB VAL 31 HB VAL 31 31.835 2.866 3.288 177 HG11 VAL 31 HG11 VAL 31 33.193 1.695 1.555 178 HG12 VAL 31 HG12 VAL 31 33.904 1.583 3.164 179 HG13 VAL 31 HG13 VAL 31 34.568 2.713 1.983 180 HG21 VAL 31 HG21 VAL 31 33.128 3.866 4.883 181 HG22 VAL 31 HG22 VAL 31 33.137 5.226 3.759 182 HG23 VAL 31 HG23 VAL 31 34.486 4.088 3.779 183 H VAL 32 HN VAL 32 30.232 2.768 1.215 184 HA VAL 32 HA VAL 32 31.231 1.057 -0.782 185 HB VAL 32 HB VAL 32 29.044 0.981 0.727 186 HG11 VAL 32 HG11 VAL 32 27.960 2.905 -0.315 187 HG12 VAL 32 HG12 VAL 32 27.045 1.445 -0.689 188 HG13 VAL 32 HG13 VAL 32 28.105 2.160 -1.905 189 HG21 VAL 32 HG21 VAL 32 28.331 -0.255 -1.783 190 HG22 VAL 32 HG22 VAL 32 28.901 -1.016 -0.297 191 HG23 VAL 32 HG23 VAL 32 30.061 -0.440 -1.493 192 H VAL 33 HN VAL 33 29.338 4.054 -0.990 193 HA VAL 33 HA VAL 33 29.043 4.056 -3.807 194 HB VAL 33 HB VAL 33 28.567 6.487 -3.497 195 HG11 VAL 33 HG11 VAL 33 27.260 4.318 -1.899 196 HG12 VAL 33 HG12 VAL 33 26.620 5.253 -3.251 197 HG13 VAL 33 HG13 VAL 33 26.725 5.980 -1.647 198 HG21 VAL 33 HG21 VAL 33 28.513 7.331 -1.155 199 HG22 VAL 33 HG22 VAL 33 30.150 6.938 -1.686 200 HG23 VAL 33 HG23 VAL 33 29.278 5.832 -0.624 201 H DAL 34 HN DAL 34 31.450 5.507 -1.650 202 HA DAL 34 HA DAL 34 33.616 6.146 -2.083 203 HB1 DAL 34 HB2 DAL 34 32.853 7.289 -4.717 204 HB2 DAL 34 HB3 DAL 34 31.968 7.881 -3.310 205 H LEU 35 HN LEU 35 33.355 3.547 -2.584 206 HA LEU 35 HA LEU 35 35.437 2.885 -4.252 207 HB2 LEU 35 HB2 LEU 35 34.314 1.379 -2.586 208 HB3 LEU 35 HB1 LEU 35 33.008 1.155 -3.749 209 HG LEU 35 HG LEU 35 34.627 0.282 -5.399 210 HD11 LEU 35 HD11 LEU 35 36.827 -0.222 -3.622 211 HD12 LEU 35 HD12 LEU 35 36.478 1.506 -3.621 212 HD13 LEU 35 HD13 LEU 35 36.827 0.680 -5.140 213 HD21 LEU 35 HD21 LEU 35 34.604 -1.011 -2.657 214 HD22 LEU 35 HD22 LEU 35 35.268 -1.808 -4.084 215 HD23 LEU 35 HD23 LEU 35 33.558 -1.380 -4.027 216 H LYS 36 HN LYS 36 32.390 4.053 -5.169 217 HA LYS 36 HA LYS 36 32.560 2.844 -7.844 218 HB2 LYS 36 HB2 LYS 36 30.350 4.467 -6.572 219 HB3 LYS 36 HB1 LYS 36 30.280 3.683 -8.150 220 HG2 LYS 36 HG2 LYS 36 30.706 2.258 -5.506 221 HG3 LYS 36 HG1 LYS 36 29.188 2.305 -6.406 222 HD2 LYS 36 HD2 LYS 36 30.282 1.204 -8.321 223 HD3 LYS 36 HD1 LYS 36 31.802 1.158 -7.428 224 HE2 LYS 36 HE2 LYS 36 30.750 -0.238 -5.692 225 HE3 LYS 36 HE1 LYS 36 29.222 -0.185 -6.569 226 HZ1 LYS 36 HZ1 LYS 36 30.707 -1.056 -8.508 227 HZ2 LYS 36 HZ2 LYS 36 30.102 -2.130 -7.339 228 HZ3 LYS 36 HZ3 LYS 36 31.709 -1.586 -7.246 229 H HIS 37 HN HIS 37 32.003 6.034 -6.347 230 HA HIS 37 HA HIS 37 32.907 7.311 -8.844 231 HB2 HIS 37 HB2 HIS 37 31.637 8.642 -6.447 232 HB3 HIS 37 HB1 HIS 37 31.809 9.290 -8.079 233 HD2 HIS 37 HD2 HIS 37 29.583 6.645 -6.170 234 HE1 HIS 37 HE1 HIS 37 27.936 7.247 -10.012 235 HE2 HIS 37 HE2 HIS 37 27.579 6.127 -7.761 236 H CYS 38 HN CYS 38 33.985 6.568 -5.712 237 HA CYS 38 HA CYS 38 35.878 8.769 -5.541 238 HB2 CYS 38 HB2 CYS 38 35.381 6.393 -3.725 239 HB3 CYS 38 HB1 CYS 38 36.542 7.683 -3.408 Start of MODEL 3 1 H1 ABA 1 HT1 ABU 1 3.258 -13.566 -6.432 2 H2 ABA 1 HT2 ABU 1 3.694 -15.059 -5.748 3 H3 ABA 1 HT3 ABU 1 4.254 -14.633 -7.295 4 HA ABA 1 HA ABU 1 5.551 -12.823 -6.361 5 HB2 ABA 1 HB2 ABU 1 5.226 -13.809 -3.593 6 HG1 ABA 1 HG1 ABU 1 3.133 -12.560 -3.216 7 HG3 ABA 1 HG3 ABU 1 3.019 -12.217 -4.943 8 HG2 ABA 1 HG2 ABU 1 2.870 -13.876 -4.361 9 H DBU 2 HN DHB 2 5.424 -15.560 -4.080 10 HB DBU 2 HB DHB 2 7.826 -18.593 -4.120 11 HG1 DBU 2 HG1 DHB 2 5.282 -18.614 -3.115 12 HG2 DBU 2 HG2 DHB 2 5.688 -19.644 -4.489 13 HG3 DBU 2 HG3 DHB 2 4.899 -18.089 -4.755 14 HA PRO 3 HA PRO 3 11.369 -16.344 -4.843 15 HB2 PRO 3 HB2 PRO 3 11.042 -16.139 -7.804 16 HB3 PRO 3 HB1 PRO 3 12.230 -17.051 -6.870 17 HG2 PRO 3 HG2 PRO 3 10.248 -18.282 -8.051 18 HG3 PRO 3 HG1 PRO 3 10.747 -18.757 -6.414 19 HD2 PRO 3 HD2 PRO 3 8.410 -17.106 -7.267 20 HD3 PRO 3 HD1 PRO 3 8.504 -18.344 -6.004 21 H VAL 4 HN VAL 4 9.233 -14.540 -7.047 22 HA VAL 4 HA VAL 4 10.852 -12.239 -7.298 23 HB VAL 4 HB VAL 4 7.863 -12.621 -7.563 24 HG11 VAL 4 HG11 VAL 4 9.577 -10.207 -7.699 25 HG12 VAL 4 HG12 VAL 4 7.849 -10.344 -7.377 26 HG13 VAL 4 HG13 VAL 4 8.446 -10.412 -9.035 27 HG21 VAL 4 HG21 VAL 4 8.265 -13.038 -9.798 28 HG22 VAL 4 HG22 VAL 4 9.772 -13.661 -9.127 29 HG23 VAL 4 HG23 VAL 4 9.721 -12.044 -9.829 30 H CYS 5 HN CYS 5 8.147 -12.990 -5.108 31 HA CYS 5 HA CYS 5 8.269 -10.494 -3.728 32 HB2 CYS 5 HB2 CYS 5 7.036 -13.158 -3.006 33 HB3 CYS 5 HB1 CYS 5 6.868 -11.705 -2.018 34 H ALA 6 HN ALA 6 9.569 -13.729 -3.080 35 HA ALA 6 HA ALA 6 10.683 -13.131 -0.545 36 HB1 ALA 6 HB1 ALA 6 12.132 -15.155 -1.042 37 HB2 ALA 6 HB2 ALA 6 11.325 -15.240 -2.607 38 HB3 ALA 6 HB3 ALA 6 10.391 -15.425 -1.122 39 H VAL 7 HN VAL 7 12.034 -13.037 -3.829 40 HA VAL 7 HA VAL 7 14.680 -12.376 -3.059 41 HB VAL 7 HB VAL 7 13.653 -13.144 -5.374 42 HG11 VAL 7 HG11 VAL 7 12.290 -11.177 -5.768 43 HG12 VAL 7 HG12 VAL 7 13.601 -11.191 -6.944 44 HG13 VAL 7 HG13 VAL 7 13.681 -10.119 -5.546 45 HG21 VAL 7 HG21 VAL 7 16.104 -12.592 -4.582 46 HG22 VAL 7 HG22 VAL 7 15.879 -11.133 -5.545 47 HG23 VAL 7 HG23 VAL 7 15.753 -12.719 -6.305 48 H ALA 8 HN ALA 8 11.882 -10.403 -3.957 49 HA ALA 8 HA ALA 8 13.186 -7.894 -3.876 50 HB1 ALA 8 HB1 ALA 8 10.900 -8.427 -4.864 51 HB2 ALA 8 HB2 ALA 8 11.009 -6.935 -3.930 52 HB3 ALA 8 HB3 ALA 8 10.279 -8.372 -3.214 53 H ALA 9 HN ALA 9 11.571 -9.828 -1.399 54 HA ALA 9 HA ALA 9 11.554 -7.878 0.646 55 HB1 ALA 9 HB1 ALA 9 10.190 -9.759 1.020 56 HB2 ALA 9 HB2 ALA 9 11.523 -9.970 2.156 57 HB3 ALA 9 HB3 ALA 9 11.493 -10.888 0.651 58 H DBU 10 HN DHB 10 13.980 -10.251 -0.372 59 HB DBU 10 HB DHB 10 17.398 -10.679 1.514 60 HG1 DBU 10 HG1 DHB 10 16.182 -12.894 0.937 61 HG2 DBU 10 HG2 DHB 10 14.682 -12.114 1.437 62 HG3 DBU 10 HG3 DHB 10 15.959 -12.410 2.617 63 H ALA 11 HN ALA 11 15.757 -8.487 -1.462 64 HA ALA 11 HA ALA 11 17.938 -6.760 -0.978 65 HB1 ALA 11 HB1 ALA 11 15.705 -6.124 -2.896 66 HB2 ALA 11 HB2 ALA 11 16.847 -7.428 -3.221 67 HB3 ALA 11 HB3 ALA 11 17.426 -5.771 -3.050 68 H ALA 12 HN ALA 12 14.455 -6.381 -0.536 69 HA ALA 12 HA ALA 12 14.447 -3.608 0.009 70 HB1 ALA 12 HB1 ALA 12 12.517 -5.511 -0.277 71 HB2 ALA 12 HB2 ALA 12 12.226 -3.894 0.363 72 HB3 ALA 12 HB3 ALA 12 12.477 -5.248 1.466 73 H ALA 13 HN ALA 13 14.924 -6.446 2.060 74 HA ALA 13 HA ALA 13 14.823 -5.156 4.562 75 HB1 ALA 13 HB1 ALA 13 14.753 -7.539 4.524 76 HB2 ALA 13 HB2 ALA 13 16.276 -7.109 5.301 77 HB3 ALA 13 HB3 ALA 13 16.263 -7.637 3.618 78 H ALA 14 HN ALA 14 17.587 -5.873 2.429 79 HA ALA 14 HA ALA 14 19.567 -4.754 4.098 80 HB2 ALA 14 HB2 ALA 14 20.463 -6.076 2.418 81 HB3 ALA 14 HB3 ALA 14 19.400 -5.405 1.180 82 H DHA 15 HN DHA 15 17.726 -3.363 1.376 83 HB1 DHA 15 HB1 DHA 15 17.393 -1.393 -0.494 84 HB2 DHA 15 HB2 DHA 15 17.473 0.296 0.267 85 H ALA 16 HN ALA 16 17.093 -1.640 3.903 86 HA ALA 16 HA ALA 16 17.911 0.960 4.900 87 HB1 ALA 16 HB1 ALA 16 16.921 -1.060 6.812 88 HB2 ALA 16 HB2 ALA 16 15.810 -0.662 5.501 89 HB3 ALA 16 HB3 ALA 16 16.409 0.610 6.567 90 H ALA 17 HN ALA 17 18.599 -2.453 5.705 91 HA ALA 17 HA ALA 17 20.719 -1.728 7.520 92 HB1 ALA 17 HB1 ALA 17 19.675 -4.320 6.409 93 HB2 ALA 17 HB2 ALA 17 19.667 -3.747 8.077 94 HB3 ALA 17 HB3 ALA 17 21.177 -4.273 7.333 95 H CYS 18 HN CYS 18 20.937 -3.903 4.709 96 HA CYS 18 HA CYS 18 23.694 -3.582 4.338 97 HB2 CYS 18 HB2 CYS 18 23.412 -4.758 2.317 98 HB3 CYS 18 HB1 CYS 18 22.127 -5.359 3.359 99 H GLY 19 HN GLY 19 20.969 -2.001 2.747 100 HA2 GLY 19 HA2 GLY 19 22.358 -0.427 0.910 101 HA3 GLY 19 HA1 GLY 19 20.806 0.008 1.620 102 H TRP 20 HN TRP 20 21.521 0.268 4.312 103 HA TRP 20 HA TRP 20 22.621 2.887 4.347 104 HB2 TRP 20 HB2 TRP 20 21.917 0.872 6.462 105 HB3 TRP 20 HB1 TRP 20 22.757 2.358 6.895 106 HD1 TRP 20 HD1 TRP 20 20.099 2.038 4.157 107 HE1 TRP 20 HE1 TRP 20 18.104 3.570 4.780 108 HE3 TRP 20 HE3 TRP 20 21.555 3.623 8.791 109 HZ2 TRP 20 HZ2 TRP 20 17.245 5.211 6.901 110 HZ3 TRP 20 HZ3 TRP 20 20.115 5.177 10.084 111 HH2 TRP 20 HH2 TRP 20 17.965 5.960 9.125 112 H VAL 21 HN VAL 21 23.930 -0.267 5.304 113 HA VAL 21 HA VAL 21 26.510 0.841 5.955 114 HB VAL 21 HB VAL 21 26.047 -1.062 7.218 115 HG11 VAL 21 HG11 VAL 21 24.538 -1.836 4.849 116 HG12 VAL 21 HG12 VAL 21 24.323 -2.341 6.524 117 HG13 VAL 21 HG13 VAL 21 25.474 -3.184 5.490 118 HG21 VAL 21 HG21 VAL 21 28.252 -1.114 5.828 119 HG22 VAL 21 HG22 VAL 21 27.460 -2.409 4.930 120 HG23 VAL 21 HG23 VAL 21 27.746 -2.584 6.661 121 H GLY 22 HN GLY 22 25.955 -1.897 3.773 122 HA2 GLY 22 HA2 GLY 22 27.108 -2.499 1.859 123 HA3 GLY 22 HA1 GLY 22 26.570 -0.913 1.317 124 H GLY 23 HN GLY 23 28.623 -0.855 4.049 125 HA2 GLY 23 HA2 GLY 23 30.850 -0.322 4.350 126 HA3 GLY 23 HA1 GLY 23 31.148 -0.862 2.700 127 H GLY 24 HN GLY 24 28.673 1.236 2.434 128 HA2 GLY 24 HA2 GLY 24 30.188 3.260 1.169 129 HA3 GLY 24 HA1 GLY 24 28.482 3.366 1.590 130 H ILE 25 HN ILE 25 28.857 2.952 4.423 131 HA ILE 25 HA ILE 25 29.160 5.597 5.287 132 HB ILE 25 HB ILE 25 27.926 4.095 6.644 133 HG12 ILE 25 HG12 ILE 25 28.871 4.468 8.786 134 HG13 ILE 25 HG11 ILE 25 30.518 4.396 8.157 135 HG21 ILE 25 HG21 ILE 25 30.300 2.412 7.305 136 HG22 ILE 25 HG22 ILE 25 29.471 2.123 5.777 137 HG23 ILE 25 HG23 ILE 25 28.591 1.983 7.297 138 HD11 ILE 25 HD11 ILE 25 30.425 6.532 7.282 139 HD12 ILE 25 HD12 ILE 25 29.362 6.732 8.674 140 HD13 ILE 25 HD13 ILE 25 28.676 6.488 7.068 141 H PHE 26 HN PHE 26 31.352 2.851 5.779 142 HA PHE 26 HA PHE 26 33.450 4.346 6.933 143 HB2 PHE 26 HB2 PHE 26 33.313 1.891 7.095 144 HB3 PHE 26 HB1 PHE 26 33.617 1.758 5.363 145 HD1 PHE 26 HD1 PHE 26 35.071 3.085 8.537 146 HD2 PHE 26 HD2 PHE 26 35.822 1.763 4.521 147 HE1 PHE 26 HE1 PHE 26 37.512 3.198 8.957 148 HE2 PHE 26 HE2 PHE 26 38.263 1.875 4.940 149 HZ PHE 26 HZ PHE 26 39.109 2.593 7.158 150 H THR 27 HN THR 27 32.850 3.349 3.575 151 HA THR 27 HA THR 27 35.215 4.382 2.452 152 HB THR 27 HB THR 27 32.511 4.248 1.101 153 HG1 THR 27 HG1 THR 27 33.687 2.313 2.292 154 HG21 THR 27 HG21 THR 27 35.336 4.565 0.239 155 HG22 THR 27 HG22 THR 27 33.858 5.182 -0.497 156 HG23 THR 27 HG23 THR 27 34.329 3.501 -0.742 157 H GLY 28 HN GLY 28 31.992 5.853 2.832 158 HA2 GLY 28 HA2 GLY 28 32.652 8.339 1.650 159 HA3 GLY 28 HA1 GLY 28 31.308 8.053 2.751 160 H VAL 29 HN VAL 29 32.789 7.141 4.980 161 HA VAL 29 HA VAL 29 33.460 9.580 6.229 162 HB VAL 29 HB VAL 29 33.887 6.686 6.968 163 HG11 VAL 29 HG11 VAL 29 34.890 7.269 8.962 164 HG12 VAL 29 HG12 VAL 29 34.217 8.899 8.950 165 HG13 VAL 29 HG13 VAL 29 35.579 8.500 7.907 166 HG21 VAL 29 HG21 VAL 29 31.999 6.971 8.321 167 HG22 VAL 29 HG22 VAL 29 31.592 7.962 6.921 168 HG23 VAL 29 HG23 VAL 29 32.194 8.722 8.394 169 H DBU 30 HN DHB 30 35.476 6.921 4.961 170 HB DBU 30 HB DHB 30 39.422 7.283 5.119 171 HG1 DBU 30 HG1 DHB 30 39.249 6.051 7.119 172 HG2 DBU 30 HG2 DHB 30 37.767 5.365 6.450 173 HG3 DBU 30 HG3 DHB 30 37.694 6.805 7.469 174 H VAL 31 HN VAL 31 35.849 8.032 2.840 175 HA VAL 31 HA VAL 31 37.698 9.149 1.002 176 HB VAL 31 HB VAL 31 34.755 8.675 1.074 177 HG11 VAL 31 HG11 VAL 31 36.131 10.440 -0.975 178 HG12 VAL 31 HG12 VAL 31 34.969 10.996 0.228 179 HG13 VAL 31 HG13 VAL 31 34.458 9.887 -1.044 180 HG21 VAL 31 HG21 VAL 31 35.272 7.124 -0.523 181 HG22 VAL 31 HG22 VAL 31 36.900 7.288 0.132 182 HG23 VAL 31 HG23 VAL 31 36.438 8.183 -1.316 183 H VAL 32 HN VAL 32 35.113 10.587 2.992 184 HA VAL 32 HA VAL 32 35.410 13.231 2.078 185 HB VAL 32 HB VAL 32 34.362 12.084 4.665 186 HG11 VAL 32 HG11 VAL 32 34.901 14.866 3.839 187 HG12 VAL 32 HG12 VAL 32 34.684 14.192 5.453 188 HG13 VAL 32 HG13 VAL 32 33.277 14.577 4.462 189 HG21 VAL 32 HG21 VAL 32 32.202 12.518 3.678 190 HG22 VAL 32 HG22 VAL 32 33.159 11.649 2.478 191 HG23 VAL 32 HG23 VAL 32 32.933 13.392 2.333 192 H VAL 33 HN VAL 33 36.789 11.586 4.918 193 HA VAL 33 HA VAL 33 38.217 13.786 5.942 194 HB VAL 33 HB VAL 33 38.027 11.940 7.386 195 HG11 VAL 33 HG11 VAL 33 39.471 9.906 5.900 196 HG12 VAL 33 HG12 VAL 33 38.042 10.442 5.029 197 HG13 VAL 33 HG13 VAL 33 37.887 9.807 6.662 198 HG21 VAL 33 HG21 VAL 33 40.780 11.374 6.376 199 HG22 VAL 33 HG22 VAL 33 40.229 11.568 8.042 200 HG23 VAL 33 HG23 VAL 33 40.422 12.981 7.002 201 H DAL 34 HN DAL 34 39.409 11.062 4.005 202 HA DAL 34 HA DAL 34 41.120 10.954 2.470 203 HB1 DAL 34 HB2 DAL 34 42.635 13.110 3.827 204 HB2 DAL 34 HB3 DAL 34 42.246 11.697 4.776 205 H LEU 35 HN LEU 35 39.014 12.437 1.646 206 HA LEU 35 HA LEU 35 39.969 13.939 -0.456 207 HB2 LEU 35 HB2 LEU 35 37.629 13.080 -0.187 208 HB3 LEU 35 HB1 LEU 35 37.331 14.383 0.963 209 HG LEU 35 HG LEU 35 37.911 16.041 -0.779 210 HD11 LEU 35 HD11 LEU 35 39.056 15.398 -2.608 211 HD12 LEU 35 HD12 LEU 35 37.740 14.321 -3.074 212 HD13 LEU 35 HD13 LEU 35 39.025 13.737 -2.016 213 HD21 LEU 35 HD21 LEU 35 35.554 14.980 -0.468 214 HD22 LEU 35 HD22 LEU 35 35.903 14.126 -1.971 215 HD23 LEU 35 HD23 LEU 35 35.859 15.889 -1.947 216 H LYS 36 HN LYS 36 39.934 14.748 2.860 217 HA LYS 36 HA LYS 36 40.108 17.635 2.283 218 HB2 LYS 36 HB2 LYS 36 39.797 16.134 4.888 219 HB3 LYS 36 HB1 LYS 36 39.928 17.889 4.750 220 HG2 LYS 36 HG2 LYS 36 37.809 16.223 3.366 221 HG3 LYS 36 HG1 LYS 36 37.557 17.098 4.877 222 HD2 LYS 36 HD2 LYS 36 38.136 19.215 3.747 223 HD3 LYS 36 HD1 LYS 36 38.375 18.339 2.234 224 HE2 LYS 36 HE2 LYS 36 36.029 17.610 2.264 225 HE3 LYS 36 HE1 LYS 36 35.779 18.448 3.796 226 HZ1 LYS 36 HZ1 LYS 36 35.256 20.213 2.583 227 HZ2 LYS 36 HZ2 LYS 36 35.804 19.496 1.144 228 HZ3 LYS 36 HZ3 LYS 36 36.891 20.326 2.151 229 H HIS 37 HN HIS 37 41.835 15.133 4.159 230 HA HIS 37 HA HIS 37 44.214 16.869 4.204 231 HB2 HIS 37 HB2 HIS 37 43.609 14.306 5.697 232 HB3 HIS 37 HB1 HIS 37 45.054 15.298 5.906 233 HD2 HIS 37 HD2 HIS 37 41.270 15.344 6.915 234 HE1 HIS 37 HE1 HIS 37 43.085 18.785 8.561 235 HE2 HIS 37 HE2 HIS 37 40.968 17.383 8.522 236 H CYS 38 HN CYS 38 42.970 14.143 2.587 237 HA CYS 38 HA CYS 38 45.573 13.065 1.867 238 HB2 CYS 38 HB2 CYS 38 42.775 12.218 1.075 239 HB3 CYS 38 HB1 CYS 38 44.254 11.364 0.665 Start of MODEL 4 1 H1 ABA 1 HT1 ABU 1 6.350 -13.447 -7.706 2 H2 ABA 1 HT2 ABU 1 7.510 -14.602 -8.158 3 H3 ABA 1 HT3 ABU 1 7.264 -13.221 -9.117 4 HA ABA 1 HA ABU 1 7.943 -11.882 -7.088 5 HB2 ABA 1 HB2 ABU 1 9.545 -14.215 -6.229 6 HG1 ABA 1 HG1 ABU 1 7.500 -14.848 -4.712 7 HG3 ABA 1 HG3 ABU 1 6.546 -14.123 -6.006 8 HG2 ABA 1 HG2 ABU 1 7.591 -15.502 -6.346 9 H DBU 2 HN DHB 2 9.954 -14.671 -8.079 10 HB DBU 2 HB DHB 2 12.830 -14.586 -10.642 11 HG1 DBU 2 HG1 DHB 2 10.566 -15.878 -11.358 12 HG2 DBU 2 HG2 DHB 2 10.535 -16.321 -9.651 13 HG3 DBU 2 HG3 DHB 2 11.890 -16.816 -10.666 14 HA PRO 3 HA PRO 3 14.290 -10.709 -9.620 15 HB2 PRO 3 HB2 PRO 3 12.310 -9.124 -11.181 16 HB3 PRO 3 HB1 PRO 3 14.032 -9.367 -11.472 17 HG2 PRO 3 HG2 PRO 3 12.215 -10.565 -12.955 18 HG3 PRO 3 HG1 PRO 3 13.711 -11.397 -12.483 19 HD2 PRO 3 HD2 PRO 3 10.954 -11.718 -11.398 20 HD3 PRO 3 HD1 PRO 3 12.212 -12.937 -11.648 21 H VAL 4 HN VAL 4 10.818 -9.990 -9.279 22 HA VAL 4 HA VAL 4 11.091 -7.635 -7.740 23 HB VAL 4 HB VAL 4 8.859 -9.671 -7.897 24 HG11 VAL 4 HG11 VAL 4 7.899 -8.623 -6.154 25 HG12 VAL 4 HG12 VAL 4 7.932 -7.117 -7.069 26 HG13 VAL 4 HG13 VAL 4 9.283 -7.538 -6.017 27 HG21 VAL 4 HG21 VAL 4 7.855 -8.140 -9.434 28 HG22 VAL 4 HG22 VAL 4 9.537 -8.284 -9.942 29 HG23 VAL 4 HG23 VAL 4 9.009 -6.868 -9.032 30 H CYS 5 HN CYS 5 10.598 -11.027 -6.768 31 HA CYS 5 HA CYS 5 10.671 -10.487 -3.967 32 HB2 CYS 5 HB2 CYS 5 11.037 -13.026 -5.564 33 HB3 CYS 5 HB1 CYS 5 11.031 -12.981 -3.800 34 H ALA 6 HN ALA 6 13.083 -11.573 -6.323 35 HA ALA 6 HA ALA 6 15.191 -12.059 -4.524 36 HB1 ALA 6 HB1 ALA 6 16.603 -11.432 -6.643 37 HB2 ALA 6 HB2 ALA 6 15.032 -11.403 -7.446 38 HB3 ALA 6 HB3 ALA 6 15.594 -12.879 -6.663 39 H VAL 7 HN VAL 7 14.264 -9.106 -6.287 40 HA VAL 7 HA VAL 7 16.415 -7.513 -5.376 41 HB VAL 7 HB VAL 7 13.662 -6.822 -6.414 42 HG11 VAL 7 HG11 VAL 7 15.972 -4.911 -6.018 43 HG12 VAL 7 HG12 VAL 7 14.678 -5.092 -4.834 44 HG13 VAL 7 HG13 VAL 7 14.309 -4.526 -6.462 45 HG21 VAL 7 HG21 VAL 7 16.436 -6.566 -7.623 46 HG22 VAL 7 HG22 VAL 7 14.908 -6.214 -8.431 47 HG23 VAL 7 HG23 VAL 7 15.305 -7.871 -7.979 48 H ALA 8 HN ALA 8 13.106 -7.984 -4.173 49 HA ALA 8 HA ALA 8 13.235 -6.094 -2.079 50 HB1 ALA 8 HB1 ALA 8 11.573 -8.598 -2.418 51 HB2 ALA 8 HB2 ALA 8 11.094 -6.937 -2.770 52 HB3 ALA 8 HB3 ALA 8 11.348 -7.446 -1.100 53 H ALA 9 HN ALA 9 14.150 -9.496 -2.278 54 HA ALA 9 HA ALA 9 14.588 -9.937 0.480 55 HB1 ALA 9 HB1 ALA 9 16.443 -11.477 -1.029 56 HB2 ALA 9 HB2 ALA 9 14.952 -11.376 -1.964 57 HB3 ALA 9 HB3 ALA 9 14.919 -12.004 -0.316 58 H DBU 10 HN DHB 10 16.689 -8.717 -2.108 59 HB DBU 10 HB DHB 10 20.464 -7.816 -1.321 60 HG1 DBU 10 HG1 DHB 10 19.428 -10.568 -1.639 61 HG2 DBU 10 HG2 DHB 10 20.953 -9.924 -2.246 62 HG3 DBU 10 HG3 DHB 10 19.478 -9.736 -3.193 63 H ALA 11 HN ALA 11 16.749 -6.178 -1.719 64 HA ALA 11 HA ALA 11 17.904 -3.993 -0.352 65 HB1 ALA 11 HB1 ALA 11 14.982 -4.236 -1.071 66 HB2 ALA 11 HB2 ALA 11 16.230 -3.927 -2.278 67 HB3 ALA 11 HB3 ALA 11 15.960 -2.773 -0.971 68 H ALA 12 HN ALA 12 15.423 -6.333 0.559 69 HA ALA 12 HA ALA 12 14.512 -5.059 2.903 70 HB1 ALA 12 HB1 ALA 12 14.652 -8.007 2.223 71 HB2 ALA 12 HB2 ALA 12 13.297 -6.923 1.907 72 HB3 ALA 12 HB3 ALA 12 13.737 -7.324 3.567 73 H ALA 13 HN ALA 13 17.170 -7.334 2.333 74 HA ALA 13 HA ALA 13 17.899 -7.776 5.013 75 HB1 ALA 13 HB1 ALA 13 20.257 -7.759 3.441 76 HB2 ALA 13 HB2 ALA 13 18.960 -8.361 2.411 77 HB3 ALA 13 HB3 ALA 13 19.307 -9.155 3.946 78 H ALA 14 HN ALA 14 19.100 -5.375 2.666 79 HA ALA 14 HA ALA 14 20.892 -4.108 4.472 80 HB2 ALA 14 HB2 ALA 14 20.523 -3.966 1.801 81 HB3 ALA 14 HB3 ALA 14 19.706 -2.483 2.298 82 H DHA 15 HN DHA 15 17.506 -3.525 3.597 83 HB1 DHA 15 HB1 DHA 15 15.371 -1.782 3.492 84 HB2 DHA 15 HB2 DHA 15 15.072 -0.962 5.129 85 H ALA 16 HN ALA 16 17.673 -3.802 6.689 86 HA ALA 16 HA ALA 16 17.724 -1.918 8.926 87 HB1 ALA 16 HB1 ALA 16 17.967 -4.916 8.719 88 HB2 ALA 16 HB2 ALA 16 16.701 -3.971 9.504 89 HB3 ALA 16 HB3 ALA 16 18.313 -4.050 10.216 90 H ALA 17 HN ALA 17 19.927 -4.374 7.549 91 HA ALA 17 HA ALA 17 22.211 -3.534 8.972 92 HB1 ALA 17 HB1 ALA 17 22.515 -4.716 6.251 93 HB2 ALA 17 HB2 ALA 17 21.707 -5.678 7.489 94 HB3 ALA 17 HB3 ALA 17 23.356 -5.110 7.750 95 H CYS 18 HN CYS 18 21.142 -2.773 5.665 96 HA CYS 18 HA CYS 18 23.290 -1.126 4.950 97 HB2 CYS 18 HB2 CYS 18 20.410 -1.170 4.052 98 HB3 CYS 18 HB1 CYS 18 21.628 -0.117 3.336 99 H GLY 19 HN GLY 19 20.330 -0.454 6.719 100 HA2 GLY 19 HA2 GLY 19 20.764 2.402 6.784 101 HA3 GLY 19 HA1 GLY 19 19.520 1.514 7.655 102 H TRP 20 HN TRP 20 20.974 -0.253 9.148 103 HA TRP 20 HA TRP 20 21.836 1.344 11.315 104 HB2 TRP 20 HB2 TRP 20 22.179 -1.611 10.760 105 HB3 TRP 20 HB1 TRP 20 22.589 -0.840 12.291 106 HD1 TRP 20 HD1 TRP 20 19.909 -2.717 10.882 107 HE1 TRP 20 HE1 TRP 20 17.634 -2.164 12.007 108 HE3 TRP 20 HE3 TRP 20 21.086 1.644 13.260 109 HZ2 TRP 20 HZ2 TRP 20 16.482 -0.179 13.656 110 HZ3 TRP 20 HZ3 TRP 20 19.378 2.845 14.599 111 HH2 TRP 20 HH2 TRP 20 17.081 1.916 14.783 112 H VAL 21 HN VAL 21 23.663 -0.721 9.052 113 HA VAL 21 HA VAL 21 26.187 -0.672 9.826 114 HB VAL 21 HB VAL 21 26.831 0.002 7.420 115 HG11 VAL 21 HG11 VAL 21 26.820 -2.256 7.406 116 HG12 VAL 21 HG12 VAL 21 25.185 -2.143 6.755 117 HG13 VAL 21 HG13 VAL 21 25.432 -2.322 8.492 118 HG21 VAL 21 HG21 VAL 21 24.293 -0.499 6.299 119 HG22 VAL 21 HG22 VAL 21 25.214 1.000 6.212 120 HG23 VAL 21 HG23 VAL 21 24.048 0.753 7.511 121 H GLY 22 HN GLY 22 26.625 0.959 11.343 122 HA2 GLY 22 HA2 GLY 22 26.639 3.743 10.464 123 HA3 GLY 22 HA1 GLY 22 27.005 3.156 12.083 124 H GLY 23 HN GLY 23 28.828 1.082 10.851 125 HA2 GLY 23 HA2 GLY 23 31.175 2.845 10.620 126 HA3 GLY 23 HA1 GLY 23 31.208 1.134 11.040 127 H GLY 24 HN GLY 24 29.711 -0.006 9.056 128 HA2 GLY 24 HA2 GLY 24 31.539 -0.184 6.912 129 HA3 GLY 24 HA1 GLY 24 29.908 -0.848 6.923 130 H ILE 25 HN ILE 25 28.445 1.529 7.250 131 HA ILE 25 HA ILE 25 28.293 2.444 4.571 132 HB ILE 25 HB ILE 25 26.529 2.426 6.552 133 HG12 ILE 25 HG12 ILE 25 26.167 3.003 4.126 134 HG13 ILE 25 HG11 ILE 25 25.168 3.945 5.235 135 HG21 ILE 25 HG21 ILE 25 27.744 5.202 6.651 136 HG22 ILE 25 HG22 ILE 25 27.708 4.027 7.966 137 HG23 ILE 25 HG23 ILE 25 26.208 4.757 7.395 138 HD11 ILE 25 HD11 ILE 25 26.039 5.564 3.749 139 HD12 ILE 25 HD12 ILE 25 27.635 4.815 3.732 140 HD13 ILE 25 HD13 ILE 25 27.086 5.686 5.163 141 H PHE 26 HN PHE 26 29.638 3.853 7.522 142 HA PHE 26 HA PHE 26 30.326 6.370 6.406 143 HB2 PHE 26 HB2 PHE 26 30.671 5.003 8.918 144 HB3 PHE 26 HB1 PHE 26 32.183 5.776 8.444 145 HD1 PHE 26 HD1 PHE 26 28.497 6.465 8.613 146 HD2 PHE 26 HD2 PHE 26 32.481 8.054 8.864 147 HE1 PHE 26 HE1 PHE 26 27.577 8.675 9.262 148 HE2 PHE 26 HE2 PHE 26 31.559 10.263 9.511 149 HZ PHE 26 HZ PHE 26 29.108 10.575 9.709 150 H THR 27 HN THR 27 31.871 3.238 6.385 151 HA THR 27 HA THR 27 34.494 4.046 5.716 152 HB THR 27 HB THR 27 33.127 1.496 4.832 153 HG1 THR 27 HG1 THR 27 33.396 2.408 7.263 154 HG21 THR 27 HG21 THR 27 35.837 2.552 4.749 155 HG22 THR 27 HG22 THR 27 35.175 1.110 3.978 156 HG23 THR 27 HG23 THR 27 35.758 1.032 5.641 157 H GLY 28 HN GLY 28 31.749 3.073 3.660 158 HA2 GLY 28 HA2 GLY 28 33.103 3.500 1.189 159 HA3 GLY 28 HA1 GLY 28 31.360 3.361 1.404 160 H VAL 29 HN VAL 29 30.840 5.491 3.098 161 HA VAL 29 HA VAL 29 30.761 7.676 1.302 162 HB VAL 29 HB VAL 29 30.159 7.384 4.242 163 HG11 VAL 29 HG11 VAL 29 30.736 9.801 2.764 164 HG12 VAL 29 HG12 VAL 29 30.335 9.611 4.470 165 HG13 VAL 29 HG13 VAL 29 29.049 9.787 3.277 166 HG21 VAL 29 HG21 VAL 29 28.673 6.440 2.361 167 HG22 VAL 29 HG22 VAL 29 28.337 8.119 1.940 168 HG23 VAL 29 HG23 VAL 29 27.888 7.502 3.530 169 H DBU 30 HN DHB 30 32.747 7.001 4.179 170 HB DBU 30 HB DHB 30 35.521 9.572 5.310 171 HG1 DBU 30 HG1 DHB 30 33.932 10.239 6.907 172 HG2 DBU 30 HG2 DHB 30 33.242 8.621 6.768 173 HG3 DBU 30 HG3 DHB 30 32.631 9.932 5.757 174 H VAL 31 HN VAL 31 34.679 6.229 2.786 175 HA VAL 31 HA VAL 31 37.347 6.628 1.950 176 HB VAL 31 HB VAL 31 35.162 4.706 1.289 177 HG11 VAL 31 HG11 VAL 31 36.054 5.253 -0.919 178 HG12 VAL 31 HG12 VAL 31 36.632 3.660 -0.435 179 HG13 VAL 31 HG13 VAL 31 37.704 5.056 -0.330 180 HG21 VAL 31 HG21 VAL 31 36.743 4.384 3.192 181 HG22 VAL 31 HG22 VAL 31 38.084 4.379 2.046 182 HG23 VAL 31 HG23 VAL 31 36.871 3.100 1.989 183 H VAL 32 HN VAL 32 34.245 7.035 0.244 184 HA VAL 32 HA VAL 32 35.345 7.807 -2.233 185 HB VAL 32 HB VAL 32 32.657 8.208 -0.939 186 HG11 VAL 32 HG11 VAL 32 33.618 9.176 -3.644 187 HG12 VAL 32 HG12 VAL 32 32.990 10.164 -2.326 188 HG13 VAL 32 HG13 VAL 32 31.919 9.057 -3.185 189 HG21 VAL 32 HG21 VAL 32 32.242 6.836 -3.217 190 HG22 VAL 32 HG22 VAL 32 32.697 6.036 -1.714 191 HG23 VAL 32 HG23 VAL 32 33.924 6.384 -2.934 192 H VAL 33 HN VAL 33 34.211 9.701 0.548 193 HA VAL 33 HA VAL 33 34.607 12.248 -0.579 194 HB VAL 33 HB VAL 33 34.712 13.008 1.813 195 HG11 VAL 33 HG11 VAL 33 32.411 11.843 2.374 196 HG12 VAL 33 HG12 VAL 33 32.559 11.222 0.729 197 HG13 VAL 33 HG13 VAL 33 32.522 12.962 1.015 198 HG21 VAL 33 HG21 VAL 33 34.509 10.030 2.316 199 HG22 VAL 33 HG22 VAL 33 34.322 11.274 3.549 200 HG23 VAL 33 HG23 VAL 33 35.875 11.058 2.740 201 H DAL 34 HN DAL 34 36.764 10.128 1.256 202 HA DAL 34 HA DAL 34 39.042 10.098 1.404 203 HB1 DAL 34 HB2 DAL 34 38.729 13.085 1.495 204 HB2 DAL 34 HB3 DAL 34 38.596 12.011 2.871 205 H LEU 35 HN LEU 35 38.674 9.332 -0.923 206 HA LEU 35 HA LEU 35 40.751 10.296 -2.518 207 HB2 LEU 35 HB2 LEU 35 39.498 7.999 -2.533 208 HB3 LEU 35 HB1 LEU 35 38.404 8.801 -3.658 209 HG LEU 35 HG LEU 35 40.007 7.853 -5.085 210 HD11 LEU 35 HD11 LEU 35 41.244 9.724 -6.003 211 HD12 LEU 35 HD12 LEU 35 41.186 10.567 -4.452 212 HD13 LEU 35 HD13 LEU 35 39.709 10.340 -5.383 213 HD21 LEU 35 HD21 LEU 35 41.992 8.649 -2.941 214 HD22 LEU 35 HD22 LEU 35 42.507 8.151 -4.552 215 HD23 LEU 35 HD23 LEU 35 41.616 7.029 -3.524 216 H LYS 36 HN LYS 36 37.244 10.844 -2.641 217 HA LYS 36 HA LYS 36 37.229 12.347 -5.033 218 HB2 LYS 36 HB2 LYS 36 35.343 12.298 -2.674 219 HB3 LYS 36 HB1 LYS 36 35.030 13.215 -4.147 220 HG2 LYS 36 HG2 LYS 36 35.582 10.234 -4.094 221 HG3 LYS 36 HG1 LYS 36 33.966 10.940 -4.142 222 HD2 LYS 36 HD2 LYS 36 34.533 12.088 -6.254 223 HD3 LYS 36 HD1 LYS 36 36.146 11.376 -6.206 224 HE2 LYS 36 HE2 LYS 36 35.160 9.118 -6.296 225 HE3 LYS 36 HE1 LYS 36 33.543 9.823 -6.332 226 HZ1 LYS 36 HZ1 LYS 36 33.742 10.363 -8.478 227 HZ2 LYS 36 HZ2 LYS 36 35.005 9.227 -8.509 228 HZ3 LYS 36 HZ3 LYS 36 35.349 10.880 -8.318 229 H HIS 37 HN HIS 37 37.688 13.253 -1.662 230 HA HIS 37 HA HIS 37 38.192 16.031 -2.538 231 HB2 HIS 37 HB2 HIS 37 37.265 14.956 0.136 232 HB3 HIS 37 HB1 HIS 37 37.703 16.640 -0.160 233 HD2 HIS 37 HD2 HIS 37 34.727 14.211 -0.833 234 HE1 HIS 37 HE1 HIS 37 33.750 17.928 -2.582 235 HE2 HIS 37 HE2 HIS 37 32.855 15.631 -1.973 236 H CYS 38 HN CYS 38 39.144 13.889 0.168 237 HA CYS 38 HA CYS 38 41.756 15.181 0.250 238 HB2 CYS 38 HB2 CYS 38 41.987 14.283 2.375 239 HB3 CYS 38 HB1 CYS 38 40.239 14.494 2.276 Start of MODEL 5 1 H1 ABA 1 HT1 ABU 1 14.508 -10.761 -11.458 2 H2 ABA 1 HT2 ABU 1 16.023 -11.520 -11.328 3 H3 ABA 1 HT3 ABU 1 15.867 -10.072 -12.204 4 HA ABA 1 HA ABU 1 15.060 -9.064 -10.010 5 HB2 ABA 1 HB2 ABU 1 16.812 -11.020 -8.656 6 HG1 ABA 1 HG1 ABU 1 14.849 -12.613 -8.388 7 HG3 ABA 1 HG3 ABU 1 14.086 -11.774 -9.739 8 HG2 ABA 1 HG2 ABU 1 15.610 -12.629 -9.979 9 H DBU 2 HN DHB 2 18.097 -10.954 -10.155 10 HB DBU 2 HB DHB 2 21.594 -9.560 -10.989 11 HG1 DBU 2 HG1 DHB 2 20.023 -12.095 -11.229 12 HG2 DBU 2 HG2 DHB 2 21.609 -11.739 -11.915 13 HG3 DBU 2 HG3 DHB 2 20.148 -11.202 -12.745 14 HA PRO 3 HA PRO 3 21.103 -5.815 -8.994 15 HB2 PRO 3 HB2 PRO 3 19.699 -4.397 -11.207 16 HB3 PRO 3 HB1 PRO 3 21.352 -4.186 -10.600 17 HG2 PRO 3 HG2 PRO 3 20.884 -5.411 -12.907 18 HG3 PRO 3 HG1 PRO 3 22.171 -5.955 -11.817 19 HD2 PRO 3 HD2 PRO 3 19.465 -7.165 -12.305 20 HD3 PRO 3 HD1 PRO 3 21.011 -7.978 -11.982 21 H VAL 4 HN VAL 4 17.852 -6.057 -10.413 22 HA VAL 4 HA VAL 4 16.601 -4.098 -8.815 23 HB VAL 4 HB VAL 4 15.501 -6.553 -10.199 24 HG11 VAL 4 HG11 VAL 4 13.738 -6.204 -8.781 25 HG12 VAL 4 HG12 VAL 4 13.375 -4.894 -9.904 26 HG13 VAL 4 HG13 VAL 4 14.237 -4.555 -8.403 27 HG21 VAL 4 HG21 VAL 4 16.308 -3.913 -11.040 28 HG22 VAL 4 HG22 VAL 4 14.573 -4.102 -11.283 29 HG23 VAL 4 HG23 VAL 4 15.695 -5.242 -12.024 30 H CYS 5 HN CYS 5 16.865 -7.627 -8.410 31 HA CYS 5 HA CYS 5 15.442 -7.708 -5.943 32 HB2 CYS 5 HB2 CYS 5 17.350 -9.629 -7.283 33 HB3 CYS 5 HB1 CYS 5 16.573 -9.980 -5.739 34 H ALA 6 HN ALA 6 18.865 -7.446 -6.792 35 HA ALA 6 HA ALA 6 19.961 -7.771 -4.226 36 HB1 ALA 6 HB1 ALA 6 21.696 -7.734 -5.681 37 HB2 ALA 6 HB2 ALA 6 21.666 -5.991 -5.409 38 HB3 ALA 6 HB3 ALA 6 20.849 -6.680 -6.813 39 H VAL 7 HN VAL 7 18.735 -4.891 -5.889 40 HA VAL 7 HA VAL 7 19.509 -3.000 -3.936 41 HB VAL 7 HB VAL 7 17.293 -2.983 -5.992 42 HG11 VAL 7 HG11 VAL 7 17.681 -0.376 -5.426 43 HG12 VAL 7 HG12 VAL 7 18.005 -1.061 -3.833 44 HG13 VAL 7 HG13 VAL 7 16.451 -1.348 -4.618 45 HG21 VAL 7 HG21 VAL 7 18.857 -2.144 -7.409 46 HG22 VAL 7 HG22 VAL 7 20.035 -2.786 -6.264 47 HG23 VAL 7 HG23 VAL 7 19.542 -1.096 -6.167 48 H ALA 8 HN ALA 8 16.490 -4.818 -4.407 49 HA ALA 8 HA ALA 8 15.077 -3.659 -2.246 50 HB1 ALA 8 HB1 ALA 8 14.012 -6.172 -2.461 51 HB2 ALA 8 HB2 ALA 8 14.742 -5.958 -4.053 52 HB3 ALA 8 HB3 ALA 8 13.549 -4.799 -3.466 53 H ALA 9 HN ALA 9 17.150 -6.524 -2.487 54 HA ALA 9 HA ALA 9 16.708 -7.507 0.126 55 HB1 ALA 9 HB1 ALA 9 17.995 -8.494 -2.001 56 HB2 ALA 9 HB2 ALA 9 18.331 -9.050 -0.362 57 HB3 ALA 9 HB3 ALA 9 19.387 -7.859 -1.122 58 H DBU 10 HN DHB 10 18.989 -5.133 -1.182 59 HB DBU 10 HB DHB 10 21.707 -3.374 1.029 60 HG1 DBU 10 HG1 DHB 10 23.052 -5.146 -0.025 61 HG2 DBU 10 HG2 DHB 10 22.404 -4.222 -1.381 62 HG3 DBU 10 HG3 DHB 10 21.648 -5.744 -0.910 63 H ALA 11 HN ALA 11 17.722 -3.079 0.038 64 HA ALA 11 HA ALA 11 17.617 -1.334 2.247 65 HB1 ALA 11 HB1 ALA 11 16.071 -1.831 -0.060 66 HB2 ALA 11 HB2 ALA 11 15.888 -0.505 1.088 67 HB3 ALA 11 HB3 ALA 11 14.973 -1.997 1.310 68 H ALA 12 HN ALA 12 16.150 -4.521 1.698 69 HA ALA 12 HA ALA 12 14.697 -4.611 4.138 70 HB1 ALA 12 HB1 ALA 12 15.109 -7.229 3.580 71 HB2 ALA 12 HB2 ALA 12 15.440 -6.518 2.000 72 HB3 ALA 12 HB3 ALA 12 13.882 -6.246 2.781 73 H ALA 13 HN ALA 13 17.911 -5.782 3.193 74 HA ALA 13 HA ALA 13 18.521 -7.044 5.663 75 HB1 ALA 13 HB1 ALA 13 20.020 -7.774 4.115 76 HB2 ALA 13 HB2 ALA 13 20.965 -6.400 4.692 77 HB3 ALA 13 HB3 ALA 13 19.999 -6.252 3.223 78 H ALA 14 HN ALA 14 18.938 -3.760 4.451 79 HA ALA 14 HA ALA 14 20.638 -2.778 6.468 80 HB2 ALA 14 HB2 ALA 14 19.562 -1.727 4.205 81 HB3 ALA 14 HB3 ALA 14 18.588 -0.918 5.434 82 H DHA 15 HN DHA 15 17.105 -3.101 6.296 83 HB1 DHA 15 HB1 DHA 15 14.602 -2.439 7.193 84 HB2 DHA 15 HB2 DHA 15 14.507 -2.414 9.045 85 H ALA 16 HN ALA 16 18.000 -4.509 9.039 86 HA ALA 16 HA ALA 16 18.160 -3.522 11.791 87 HB1 ALA 16 HB1 ALA 16 18.000 -6.059 10.746 88 HB2 ALA 16 HB2 ALA 16 18.544 -5.671 12.379 89 HB3 ALA 16 HB3 ALA 16 19.724 -5.907 11.090 90 H ALA 17 HN ALA 17 20.398 -4.518 9.195 91 HA ALA 17 HA ALA 17 22.765 -3.700 10.481 92 HB1 ALA 17 HB1 ALA 17 22.325 -3.682 7.493 93 HB2 ALA 17 HB2 ALA 17 22.547 -5.170 8.414 94 HB3 ALA 17 HB3 ALA 17 23.831 -3.962 8.368 95 H CYS 18 HN CYS 18 20.773 -2.019 8.044 96 HA CYS 18 HA CYS 18 22.278 0.355 7.954 97 HB2 CYS 18 HB2 CYS 18 19.349 -0.175 7.424 98 HB3 CYS 18 HB1 CYS 18 20.126 1.378 7.115 99 H GLY 19 HN GLY 19 19.559 -0.613 10.009 100 HA2 GLY 19 HA2 GLY 19 19.196 1.863 11.324 101 HA3 GLY 19 HA1 GLY 19 18.703 0.290 11.947 102 H TRP 20 HN TRP 20 21.032 -1.044 12.282 103 HA TRP 20 HA TRP 20 22.075 0.086 14.673 104 HB2 TRP 20 HB2 TRP 20 22.881 -2.272 12.973 105 HB3 TRP 20 HB1 TRP 20 23.772 -1.818 14.426 106 HD1 TRP 20 HD1 TRP 20 20.020 -2.270 13.541 107 HE1 TRP 20 HE1 TRP 20 18.899 -3.557 15.475 108 HE3 TRP 20 HE3 TRP 20 24.033 -2.885 16.639 109 HZ2 TRP 20 HZ2 TRP 20 19.609 -4.694 18.002 110 HZ3 TRP 20 HZ3 TRP 20 23.783 -4.072 18.801 111 HH2 TRP 20 HH2 TRP 20 21.578 -4.975 19.483 112 H VAL 21 HN VAL 21 23.264 -0.104 11.348 113 HA VAL 21 HA VAL 21 25.344 0.600 10.497 114 HB VAL 21 HB VAL 21 23.651 2.403 10.177 115 HG11 VAL 21 HG11 VAL 21 24.903 4.003 12.351 116 HG12 VAL 21 HG12 VAL 21 23.770 2.748 12.853 117 HG13 VAL 21 HG13 VAL 21 23.243 4.021 11.753 118 HG21 VAL 21 HG21 VAL 21 25.926 4.116 10.630 119 HG22 VAL 21 HG22 VAL 21 25.308 3.488 9.103 120 HG23 VAL 21 HG23 VAL 21 26.481 2.553 10.031 121 H GLY 22 HN GLY 22 26.722 -0.527 12.041 122 HA2 GLY 22 HA2 GLY 22 27.659 0.847 14.397 123 HA3 GLY 22 HA1 GLY 22 28.308 -0.649 13.729 124 H GLY 23 HN GLY 23 28.036 1.757 11.377 125 HA2 GLY 23 HA2 GLY 23 29.585 3.525 10.835 126 HA3 GLY 23 HA1 GLY 23 30.799 2.705 11.812 127 H GLY 24 HN GLY 24 29.817 0.090 10.576 128 HA2 GLY 24 HA2 GLY 24 31.787 -0.082 8.531 129 HA3 GLY 24 HA1 GLY 24 30.592 -1.316 8.921 130 H ILE 25 HN ILE 25 28.235 0.093 8.466 131 HA ILE 25 HA ILE 25 27.975 -0.140 5.649 132 HB ILE 25 HB ILE 25 26.047 -0.575 6.989 133 HG12 ILE 25 HG12 ILE 25 24.425 0.725 5.864 134 HG13 ILE 25 HG11 ILE 25 25.461 2.153 5.839 135 HG21 ILE 25 HG21 ILE 25 26.839 0.921 8.884 136 HG22 ILE 25 HG22 ILE 25 25.109 0.992 8.550 137 HG23 ILE 25 HG23 ILE 25 26.170 2.282 7.983 138 HD11 ILE 25 HD11 ILE 25 26.591 1.462 3.982 139 HD12 ILE 25 HD12 ILE 25 25.153 0.478 3.713 140 HD13 ILE 25 HD13 ILE 25 26.574 -0.230 4.481 141 H PHE 26 HN PHE 26 27.978 2.685 7.818 142 HA PHE 26 HA PHE 26 27.642 4.654 5.841 143 HB2 PHE 26 HB2 PHE 26 27.427 5.064 8.281 144 HB3 PHE 26 HB1 PHE 26 29.175 4.892 8.443 145 HD1 PHE 26 HD1 PHE 26 26.668 6.761 6.359 146 HD2 PHE 26 HD2 PHE 26 30.483 6.816 8.335 147 HE1 PHE 26 HE1 PHE 26 26.965 9.138 5.719 148 HE2 PHE 26 HE2 PHE 26 30.780 9.194 7.694 149 HZ PHE 26 HZ PHE 26 29.021 10.356 6.387 150 H THR 27 HN THR 27 30.608 3.280 7.252 151 HA THR 27 HA THR 27 32.463 4.858 5.863 152 HB THR 27 HB THR 27 34.059 3.016 6.310 153 HG1 THR 27 HG1 THR 27 32.516 1.433 7.745 154 HG21 THR 27 HG21 THR 27 34.024 4.210 8.245 155 HG22 THR 27 HG22 THR 27 33.162 2.809 8.880 156 HG23 THR 27 HG23 THR 27 32.262 4.218 8.320 157 H GLY 28 HN GLY 28 31.035 1.711 5.007 158 HA2 GLY 28 HA2 GLY 28 32.412 1.403 2.548 159 HA3 GLY 28 HA1 GLY 28 30.921 0.581 3.003 160 H VAL 29 HN VAL 29 29.213 2.742 3.346 161 HA VAL 29 HA VAL 29 28.424 3.280 0.678 162 HB VAL 29 HB VAL 29 27.529 4.154 3.389 163 HG11 VAL 29 HG11 VAL 29 26.949 5.562 0.785 164 HG12 VAL 29 HG12 VAL 29 27.364 6.266 2.349 165 HG13 VAL 29 HG13 VAL 29 25.769 5.556 2.096 166 HG21 VAL 29 HG21 VAL 29 25.783 2.774 2.919 167 HG22 VAL 29 HG22 VAL 29 26.813 2.160 1.626 168 HG23 VAL 29 HG23 VAL 29 25.612 3.404 1.281 169 H DBU 30 HN DHB 30 29.985 5.302 3.167 170 HB DBU 30 HB DHB 30 31.065 9.001 2.316 171 HG1 DBU 30 HG1 DHB 30 29.045 9.590 3.389 172 HG2 DBU 30 HG2 DHB 30 29.333 8.169 4.393 173 HG3 DBU 30 HG3 DHB 30 28.318 8.042 2.957 174 H VAL 31 HN VAL 31 32.229 4.887 2.138 175 HA VAL 31 HA VAL 31 34.492 5.979 0.790 176 HB VAL 31 HB VAL 31 33.678 3.297 1.801 177 HG11 VAL 31 HG11 VAL 31 35.593 3.806 -0.454 178 HG12 VAL 31 HG12 VAL 31 34.470 2.466 -0.228 179 HG13 VAL 31 HG13 VAL 31 35.958 2.538 0.715 180 HG21 VAL 31 HG21 VAL 31 36.371 4.645 1.955 181 HG22 VAL 31 HG22 VAL 31 35.633 3.522 3.097 182 HG23 VAL 31 HG23 VAL 31 35.042 5.180 2.984 183 H VAL 32 HN VAL 32 31.895 3.759 -0.203 184 HA VAL 32 HA VAL 32 32.829 3.344 -2.843 185 HB VAL 32 HB VAL 32 30.095 3.111 -1.582 186 HG11 VAL 32 HG11 VAL 32 30.900 2.158 -4.343 187 HG12 VAL 32 HG12 VAL 32 30.019 3.661 -4.063 188 HG13 VAL 32 HG13 VAL 32 29.292 2.117 -3.618 189 HG21 VAL 32 HG21 VAL 32 30.550 0.768 -1.590 190 HG22 VAL 32 HG22 VAL 32 32.035 1.526 -1.013 191 HG23 VAL 32 HG23 VAL 32 31.922 0.963 -2.681 192 H VAL 33 HN VAL 33 30.404 5.595 -1.521 193 HA VAL 33 HA VAL 33 29.565 6.818 -3.855 194 HB VAL 33 HB VAL 33 28.431 7.471 -1.909 195 HG11 VAL 33 HG11 VAL 33 30.731 6.935 -0.592 196 HG12 VAL 33 HG12 VAL 33 29.396 7.824 0.140 197 HG13 VAL 33 HG13 VAL 33 30.769 8.696 -0.542 198 HG21 VAL 33 HG21 VAL 33 29.520 9.388 -3.536 199 HG22 VAL 33 HG22 VAL 33 30.065 9.933 -1.950 200 HG23 VAL 33 HG23 VAL 33 28.342 9.722 -2.266 201 H DAL 34 HN DAL 34 31.999 8.281 -1.694 202 HA DAL 34 HA DAL 34 33.931 9.445 -2.156 203 HB1 DAL 34 HB2 DAL 34 32.814 10.569 -4.654 204 HB2 DAL 34 HB3 DAL 34 31.840 10.809 -3.207 205 H LEU 35 HN LEU 35 33.571 6.753 -3.284 206 HA LEU 35 HA LEU 35 35.917 6.567 -4.814 207 HB2 LEU 35 HB2 LEU 35 34.613 4.739 -3.499 208 HB3 LEU 35 HB1 LEU 35 33.718 4.525 -5.003 209 HG LEU 35 HG LEU 35 35.790 4.091 -6.220 210 HD11 LEU 35 HD11 LEU 35 37.667 5.057 -5.418 211 HD12 LEU 35 HD12 LEU 35 37.727 3.755 -4.230 212 HD13 LEU 35 HD13 LEU 35 36.944 5.283 -3.825 213 HD21 LEU 35 HD21 LEU 35 35.063 2.526 -3.795 214 HD22 LEU 35 HD22 LEU 35 36.613 2.133 -4.541 215 HD23 LEU 35 HD23 LEU 35 35.126 2.020 -5.484 216 H LYS 36 HN LYS 36 32.656 7.285 -5.717 217 HA LYS 36 HA LYS 36 33.161 6.725 -8.549 218 HB2 LYS 36 HB2 LYS 36 30.672 7.673 -7.109 219 HB3 LYS 36 HB1 LYS 36 30.769 7.319 -8.834 220 HG2 LYS 36 HG2 LYS 36 31.361 5.338 -6.614 221 HG3 LYS 36 HG1 LYS 36 29.868 5.394 -7.551 222 HD2 LYS 36 HD2 LYS 36 31.131 4.985 -9.621 223 HD3 LYS 36 HD1 LYS 36 32.639 4.962 -8.706 224 HE2 LYS 36 HE2 LYS 36 31.857 3.018 -7.425 225 HE3 LYS 36 HE1 LYS 36 30.319 3.052 -8.288 226 HZ1 LYS 36 HZ1 LYS 36 31.231 2.180 -10.135 227 HZ2 LYS 36 HZ2 LYS 36 32.391 1.579 -9.049 228 HZ3 LYS 36 HZ3 LYS 36 32.707 2.991 -9.940 229 H HIS 37 HN HIS 37 32.293 9.449 -6.432 230 HA HIS 37 HA HIS 37 32.858 11.302 -8.653 231 HB2 HIS 37 HB2 HIS 37 31.567 11.964 -6.003 232 HB3 HIS 37 HB1 HIS 37 31.562 12.930 -7.479 233 HD2 HIS 37 HD2 HIS 37 29.803 9.695 -6.059 234 HE1 HIS 37 HE1 HIS 37 27.862 10.807 -9.641 235 HE2 HIS 37 HE2 HIS 37 27.785 9.231 -7.651 236 H CYS 38 HN CYS 38 33.989 10.230 -5.562 237 HA CYS 38 HA CYS 38 35.787 12.523 -5.263 238 HB2 CYS 38 HB2 CYS 38 35.453 10.103 -3.475 239 HB3 CYS 38 HB1 CYS 38 36.328 11.584 -3.091 Start of MODEL 6 1 H1 ABA 1 HT1 ABU 1 7.339 -17.559 -6.308 2 H2 ABA 1 HT2 ABU 1 5.878 -16.692 -6.302 3 H3 ABA 1 HT3 ABU 1 6.309 -17.644 -4.963 4 HA ABA 1 HA ABU 1 8.311 -16.180 -4.698 5 HB2 ABA 1 HB2 ABU 1 6.860 -14.038 -6.152 6 HG1 ABA 1 HG1 ABU 1 8.154 -14.855 -8.277 7 HG3 ABA 1 HG3 ABU 1 8.051 -16.441 -7.510 8 HG2 ABA 1 HG2 ABU 1 6.578 -15.559 -7.911 9 H DBU 2 HN DHB 2 5.510 -14.090 -5.273 10 HB DBU 2 HB DHB 2 2.857 -13.139 -2.621 11 HG1 DBU 2 HG1 DHB 2 3.096 -14.502 -5.363 12 HG2 DBU 2 HG2 DHB 2 2.033 -13.131 -5.052 13 HG3 DBU 2 HG3 DHB 2 1.719 -14.683 -4.278 14 HA PRO 3 HA PRO 3 5.613 -12.572 0.564 15 HB2 PRO 3 HB2 PRO 3 6.087 -15.413 1.317 16 HB3 PRO 3 HB1 PRO 3 5.222 -14.149 2.195 17 HG2 PRO 3 HG2 PRO 3 3.935 -16.104 0.979 18 HG3 PRO 3 HG1 PRO 3 3.297 -14.449 0.991 19 HD2 PRO 3 HD2 PRO 3 4.653 -15.928 -1.209 20 HD3 PRO 3 HD1 PRO 3 3.337 -14.748 -1.293 21 H VAL 4 HN VAL 4 7.338 -15.457 -0.654 22 HA VAL 4 HA VAL 4 9.856 -14.776 0.441 23 HB VAL 4 HB VAL 4 10.727 -16.409 -1.282 24 HG11 VAL 4 HG11 VAL 4 8.575 -17.983 -0.175 25 HG12 VAL 4 HG12 VAL 4 9.120 -16.803 1.018 26 HG13 VAL 4 HG13 VAL 4 10.270 -17.938 0.313 27 HG21 VAL 4 HG21 VAL 4 8.698 -15.789 -2.822 28 HG22 VAL 4 HG22 VAL 4 7.840 -16.999 -1.871 29 HG23 VAL 4 HG23 VAL 4 9.275 -17.455 -2.790 30 H CYS 5 HN CYS 5 8.343 -14.100 -2.676 31 HA CYS 5 HA CYS 5 10.637 -12.964 -3.910 32 HB2 CYS 5 HB2 CYS 5 7.696 -12.953 -4.451 33 HB3 CYS 5 HB1 CYS 5 8.716 -11.786 -5.295 34 H ALA 6 HN ALA 6 7.947 -11.593 -2.052 35 HA ALA 6 HA ALA 6 8.630 -8.872 -2.404 36 HB1 ALA 6 HB1 ALA 6 6.621 -8.755 -1.412 37 HB2 ALA 6 HB2 ALA 6 7.433 -9.094 0.117 38 HB3 ALA 6 HB3 ALA 6 6.749 -10.415 -0.831 39 H VAL 7 HN VAL 7 9.416 -11.185 0.184 40 HA VAL 7 HA VAL 7 10.915 -9.378 1.766 41 HB VAL 7 HB VAL 7 9.991 -11.832 2.225 42 HG11 VAL 7 HG11 VAL 7 12.921 -12.326 1.636 43 HG12 VAL 7 HG12 VAL 7 11.617 -12.792 0.546 44 HG13 VAL 7 HG13 VAL 7 11.721 -13.511 2.152 45 HG21 VAL 7 HG21 VAL 7 12.428 -10.472 3.391 46 HG22 VAL 7 HG22 VAL 7 11.766 -11.951 4.089 47 HG23 VAL 7 HG23 VAL 7 10.782 -10.488 4.024 48 H ALA 8 HN ALA 8 11.834 -11.634 -0.806 49 HA ALA 8 HA ALA 8 14.631 -11.279 -0.600 50 HB1 ALA 8 HB1 ALA 8 14.736 -12.691 -2.373 51 HB2 ALA 8 HB2 ALA 8 13.553 -11.771 -3.302 52 HB3 ALA 8 HB3 ALA 8 13.013 -12.909 -2.067 53 H ALA 9 HN ALA 9 12.130 -9.554 -2.401 54 HA ALA 9 HA ALA 9 13.850 -7.940 -3.963 55 HB1 ALA 9 HB1 ALA 9 11.941 -6.851 -4.649 56 HB2 ALA 9 HB2 ALA 9 11.224 -6.868 -3.038 57 HB3 ALA 9 HB3 ALA 9 11.221 -8.333 -4.020 58 H DBU 10 HN DHB 10 12.474 -7.539 -0.722 59 HB DBU 10 HB DHB 10 13.094 -4.348 1.463 60 HG1 DBU 10 HG1 DHB 10 10.852 -3.863 0.627 61 HG2 DBU 10 HG2 DHB 10 10.661 -5.452 1.369 62 HG3 DBU 10 HG3 DHB 10 10.857 -5.313 -0.378 63 H ALA 11 HN ALA 11 14.857 -7.863 0.713 64 HA ALA 11 HA ALA 11 17.185 -6.563 1.642 65 HB1 ALA 11 HB1 ALA 11 16.648 -8.848 2.306 66 HB2 ALA 11 HB2 ALA 11 18.222 -8.815 1.511 67 HB3 ALA 11 HB3 ALA 11 16.805 -9.395 0.637 68 H ALA 12 HN ALA 12 16.315 -7.923 -1.507 69 HA ALA 12 HA ALA 12 18.851 -7.657 -2.729 70 HB1 ALA 12 HB1 ALA 12 17.486 -8.974 -4.020 71 HB2 ALA 12 HB2 ALA 12 17.231 -7.436 -4.844 72 HB3 ALA 12 HB3 ALA 12 16.048 -8.016 -3.669 73 H ALA 13 HN ALA 13 16.127 -5.438 -2.367 74 HA ALA 13 HA ALA 13 17.106 -3.415 -4.106 75 HB1 ALA 13 HB1 ALA 13 15.587 -2.033 -2.328 76 HB2 ALA 13 HB2 ALA 13 14.981 -3.669 -2.068 77 HB3 ALA 13 HB3 ALA 13 14.921 -2.953 -3.678 78 H ALA 14 HN ALA 14 16.909 -3.316 -0.541 79 HA ALA 14 HA ALA 14 18.725 -1.174 -0.274 80 HB2 ALA 14 HB2 ALA 14 17.406 -1.437 1.611 81 HB3 ALA 14 HB3 ALA 14 17.549 -3.195 1.591 82 H DHA 15 HN DHA 15 19.143 -4.689 -0.178 83 HB1 DHA 15 HB1 DHA 15 20.613 -6.888 0.542 84 HB2 DHA 15 HB2 DHA 15 22.399 -6.710 0.077 85 H ALA 16 HN ALA 16 21.229 -3.608 -2.319 86 HA ALA 16 HA ALA 16 24.072 -2.968 -2.218 87 HB1 ALA 16 HB1 ALA 16 23.137 -3.627 -4.366 88 HB2 ALA 16 HB2 ALA 16 23.653 -1.942 -4.439 89 HB3 ALA 16 HB3 ALA 16 21.941 -2.334 -4.271 90 H ALA 17 HN ALA 17 20.946 -1.276 -2.168 91 HA ALA 17 HA ALA 17 22.138 1.327 -1.915 92 HB1 ALA 17 HB1 ALA 17 19.522 0.248 -2.312 93 HB2 ALA 17 HB2 ALA 17 20.055 1.920 -2.487 94 HB3 ALA 17 HB3 ALA 17 19.469 1.339 -0.927 95 H CYS 18 HN CYS 18 19.908 -0.236 0.371 96 HA CYS 18 HA CYS 18 20.793 1.255 2.594 97 HB2 CYS 18 HB2 CYS 18 19.382 -0.147 3.894 98 HB3 CYS 18 HB1 CYS 18 18.582 0.040 2.337 99 H GLY 19 HN GLY 19 21.443 -2.093 1.616 100 HA2 GLY 19 HA2 GLY 19 23.100 -2.840 3.734 101 HA3 GLY 19 HA1 GLY 19 23.194 -3.512 2.110 102 H TRP 20 HN TRP 20 24.139 -1.655 0.509 103 HA TRP 20 HA TRP 20 26.871 -1.414 1.217 104 HB2 TRP 20 HB2 TRP 20 25.670 -1.424 -1.119 105 HB3 TRP 20 HB1 TRP 20 25.641 0.309 -0.885 106 HD1 TRP 20 HD1 TRP 20 27.950 1.612 -0.792 107 HE1 TRP 20 HE1 TRP 20 30.324 0.941 -1.593 108 HE3 TRP 20 HE3 TRP 20 27.304 -3.379 -1.426 109 HZ2 TRP 20 HZ2 TRP 20 31.742 -1.369 -2.389 110 HZ3 TRP 20 HZ3 TRP 20 29.195 -4.819 -2.214 111 HH2 TRP 20 HH2 TRP 20 31.406 -3.784 -2.691 112 H VAL 21 HN VAL 21 24.227 0.972 1.106 113 HA VAL 21 HA VAL 21 25.750 3.230 1.793 114 HB VAL 21 HB VAL 21 22.840 2.559 2.227 115 HG11 VAL 21 HG11 VAL 21 23.405 5.378 2.219 116 HG12 VAL 21 HG12 VAL 21 24.365 4.594 3.474 117 HG13 VAL 21 HG13 VAL 21 22.611 4.417 3.467 118 HG21 VAL 21 HG21 VAL 21 24.068 2.967 -0.106 119 HG22 VAL 21 HG22 VAL 21 23.890 4.657 0.367 120 HG23 VAL 21 HG23 VAL 21 22.463 3.632 0.203 121 H GLY 22 HN GLY 22 23.961 0.922 3.817 122 HA2 GLY 22 HA2 GLY 22 24.152 2.026 6.306 123 HA3 GLY 22 HA1 GLY 22 24.323 0.297 6.017 124 H GLY 23 HN GLY 23 26.749 1.149 4.271 125 HA2 GLY 23 HA2 GLY 23 28.653 1.639 6.484 126 HA3 GLY 23 HA1 GLY 23 28.925 0.335 5.333 127 H GLY 24 HN GLY 24 27.721 2.098 3.179 128 HA2 GLY 24 HA2 GLY 24 30.145 3.139 2.147 129 HA3 GLY 24 HA1 GLY 24 28.537 3.430 1.491 130 H ILE 25 HN ILE 25 27.440 4.600 3.891 131 HA ILE 25 HA ILE 25 28.079 7.303 3.472 132 HB ILE 25 HB ILE 25 25.971 6.916 4.401 133 HG12 ILE 25 HG12 ILE 25 25.991 8.046 6.566 134 HG13 ILE 25 HG11 ILE 25 27.705 7.683 6.766 135 HG21 ILE 25 HG21 ILE 25 26.572 5.647 6.916 136 HG22 ILE 25 HG22 ILE 25 27.246 4.696 5.594 137 HG23 ILE 25 HG23 ILE 25 25.526 5.081 5.614 138 HD11 ILE 25 HD11 ILE 25 28.279 9.497 5.565 139 HD12 ILE 25 HD12 ILE 25 26.575 9.949 5.511 140 HD13 ILE 25 HD13 ILE 25 27.268 8.969 4.219 141 H PHE 26 HN PHE 26 28.608 5.516 6.501 142 HA PHE 26 HA PHE 26 30.451 7.349 7.579 143 HB2 PHE 26 HB2 PHE 26 29.271 5.667 8.942 144 HB3 PHE 26 HB1 PHE 26 30.188 4.385 8.153 145 HD1 PHE 26 HD1 PHE 26 30.668 7.568 10.071 146 HD2 PHE 26 HD2 PHE 26 32.249 3.708 9.042 147 HE1 PHE 26 HE1 PHE 26 32.522 7.897 11.685 148 HE2 PHE 26 HE2 PHE 26 34.103 4.039 10.656 149 HZ PHE 26 HZ PHE 26 34.240 6.133 11.977 150 H THR 27 HN THR 27 30.972 4.317 5.785 151 HA THR 27 HA THR 27 33.785 4.306 5.924 152 HB THR 27 HB THR 27 31.969 3.210 3.761 153 HG1 THR 27 HG1 THR 27 33.085 1.440 5.447 154 HG21 THR 27 HG21 THR 27 33.925 1.649 3.404 155 HG22 THR 27 HG22 THR 27 34.875 2.712 4.440 156 HG23 THR 27 HG23 THR 27 34.219 3.320 2.920 157 H GLY 28 HN GLY 28 31.595 5.590 3.423 158 HA2 GLY 28 HA2 GLY 28 33.651 6.601 1.740 159 HA3 GLY 28 HA1 GLY 28 31.956 7.081 1.702 160 H VAL 29 HN VAL 29 31.695 8.061 4.328 161 HA VAL 29 HA VAL 29 32.682 10.698 4.032 162 HB VAL 29 HB VAL 29 31.365 9.216 6.303 163 HG11 VAL 29 HG11 VAL 29 32.186 10.759 7.718 164 HG12 VAL 29 HG12 VAL 29 31.253 11.965 6.831 165 HG13 VAL 29 HG13 VAL 29 32.936 11.656 6.399 166 HG21 VAL 29 HG21 VAL 29 29.618 11.025 5.764 167 HG22 VAL 29 HG22 VAL 29 29.837 9.760 4.555 168 HG23 VAL 29 HG23 VAL 29 30.565 11.349 4.311 169 H DBU 30 HN DHB 30 33.666 7.977 6.112 170 HB DBU 30 HB DHB 30 36.758 8.412 8.542 171 HG1 DBU 30 HG1 DHB 30 35.111 8.604 10.205 172 HG2 DBU 30 HG2 DHB 30 33.903 8.001 9.069 173 HG3 DBU 30 HG3 DHB 30 34.262 9.727 9.143 174 H VAL 31 HN VAL 31 35.564 7.106 4.729 175 HA VAL 31 HA VAL 31 38.348 6.911 4.299 176 HB VAL 31 HB VAL 31 35.954 6.412 2.531 177 HG11 VAL 31 HG11 VAL 31 37.549 6.879 0.901 178 HG12 VAL 31 HG12 VAL 31 37.835 5.160 1.172 179 HG13 VAL 31 HG13 VAL 31 38.891 6.358 1.920 180 HG21 VAL 31 HG21 VAL 31 37.998 4.433 3.530 181 HG22 VAL 31 HG22 VAL 31 36.333 4.141 3.026 182 HG23 VAL 31 HG23 VAL 31 36.661 4.939 4.564 183 H VAL 32 HN VAL 32 35.850 8.988 2.840 184 HA VAL 32 HA VAL 32 37.524 10.277 0.981 185 HB VAL 32 HB VAL 32 34.945 11.089 2.322 186 HG11 VAL 32 HG11 VAL 32 35.337 13.204 1.665 187 HG12 VAL 32 HG12 VAL 32 35.347 12.626 -0.001 188 HG13 VAL 32 HG13 VAL 32 36.856 12.734 0.903 189 HG21 VAL 32 HG21 VAL 32 35.641 10.278 -0.521 190 HG22 VAL 32 HG22 VAL 32 34.024 10.628 0.092 191 HG23 VAL 32 HG23 VAL 32 34.904 9.218 0.681 192 H VAL 33 HN VAL 33 36.580 11.164 4.294 193 HA VAL 33 HA VAL 33 37.995 13.612 4.388 194 HB VAL 33 HB VAL 33 37.780 13.380 6.838 195 HG11 VAL 33 HG11 VAL 33 35.227 12.978 6.815 196 HG12 VAL 33 HG12 VAL 33 35.415 12.730 5.079 197 HG13 VAL 33 HG13 VAL 33 35.849 14.280 5.801 198 HG21 VAL 33 HG21 VAL 33 36.697 11.363 7.757 199 HG22 VAL 33 HG22 VAL 33 38.217 10.951 6.961 200 HG23 VAL 33 HG23 VAL 33 36.683 10.640 6.149 201 H DAL 34 HN DAL 34 38.888 10.315 5.340 202 HA DAL 34 HA DAL 34 40.938 9.370 5.741 203 HB1 DAL 34 HB2 DAL 34 42.213 11.962 6.429 204 HB2 DAL 34 HB3 DAL 34 40.834 11.484 7.405 205 H LEU 35 HN LEU 35 40.240 10.105 3.159 206 HA LEU 35 HA LEU 35 42.626 9.833 1.762 207 HB2 LEU 35 HB2 LEU 35 40.168 9.520 0.980 208 HB3 LEU 35 HB1 LEU 35 40.248 11.233 0.566 209 HG LEU 35 HG LEU 35 42.195 10.826 -0.862 210 HD11 LEU 35 HD11 LEU 35 42.547 8.207 -1.263 211 HD12 LEU 35 HD12 LEU 35 41.990 8.129 0.408 212 HD13 LEU 35 HD13 LEU 35 43.425 9.069 0.000 213 HD21 LEU 35 HD21 LEU 35 41.089 9.391 -2.578 214 HD22 LEU 35 HD22 LEU 35 39.985 10.583 -1.891 215 HD23 LEU 35 HD23 LEU 35 39.902 8.901 -1.367 216 H LYS 36 HN LYS 36 41.328 12.599 3.280 217 HA LYS 36 HA LYS 36 42.952 14.420 1.630 218 HB2 LYS 36 HB2 LYS 36 40.814 14.964 3.698 219 HB3 LYS 36 HB1 LYS 36 41.715 16.213 2.838 220 HG2 LYS 36 HG2 LYS 36 40.048 14.066 1.494 221 HG3 LYS 36 HG1 LYS 36 39.506 15.720 1.781 222 HD2 LYS 36 HD2 LYS 36 41.386 16.576 0.432 223 HD3 LYS 36 HD1 LYS 36 41.931 14.924 0.141 224 HE2 LYS 36 HE2 LYS 36 39.773 14.414 -0.960 225 HE3 LYS 36 HE1 LYS 36 39.250 16.076 -0.689 226 HZ1 LYS 36 HZ1 LYS 36 41.297 16.756 -1.945 227 HZ2 LYS 36 HZ2 LYS 36 40.095 15.987 -2.869 228 HZ3 LYS 36 HZ3 LYS 36 41.481 15.129 -2.391 229 H HIS 37 HN HIS 37 42.288 13.715 5.061 230 HA HIS 37 HA HIS 37 44.809 15.041 5.786 231 HB2 HIS 37 HB2 HIS 37 42.647 13.957 7.608 232 HB3 HIS 37 HB1 HIS 37 43.970 15.039 8.050 233 HD2 HIS 37 HD2 HIS 37 40.442 15.223 6.379 234 HE1 HIS 37 HE1 HIS 37 42.034 19.135 6.432 235 HE2 HIS 37 HE2 HIS 37 39.953 17.756 5.970 236 H CYS 38 HN CYS 38 43.454 11.922 5.400 237 HA CYS 38 HA CYS 38 45.418 10.618 7.106 238 HB2 CYS 38 HB2 CYS 38 43.214 9.427 5.400 239 HB3 CYS 38 HB1 CYS 38 44.230 8.552 6.539 Start of MODEL 7 1 H1 ABA 1 HT1 ABU 1 15.713 -9.434 -12.852 2 H2 ABA 1 HT2 ABU 1 14.618 -8.140 -12.964 3 H3 ABA 1 HT3 ABU 1 14.188 -9.551 -12.122 4 HA ABA 1 HA ABU 1 14.715 -8.078 -10.429 5 HB2 ABA 1 HB2 ABU 1 17.482 -9.097 -10.650 6 HG1 ABA 1 HG1 ABU 1 16.387 -10.827 -11.970 7 HG3 ABA 1 HG3 ABU 1 16.730 -11.470 -10.364 8 HG2 ABA 1 HG2 ABU 1 15.092 -10.962 -10.780 9 H DBU 2 HN DHB 2 17.823 -8.143 -12.181 10 HB DBU 2 HB DHB 2 19.687 -5.089 -13.611 11 HG1 DBU 2 HG1 DHB 2 18.591 -6.839 -15.377 12 HG2 DBU 2 HG2 DHB 2 19.094 -8.021 -14.169 13 HG3 DBU 2 HG3 DHB 2 20.297 -7.002 -14.959 14 HA PRO 3 HA PRO 3 18.624 -2.352 -10.520 15 HB2 PRO 3 HB2 PRO 3 15.911 -1.685 -11.571 16 HB3 PRO 3 HB1 PRO 3 17.357 -0.676 -11.484 17 HG2 PRO 3 HG2 PRO 3 16.565 -1.660 -13.781 18 HG3 PRO 3 HG1 PRO 3 18.290 -1.634 -13.364 19 HD2 PRO 3 HD2 PRO 3 16.376 -3.931 -13.298 20 HD3 PRO 3 HD1 PRO 3 18.070 -3.900 -13.813 21 H VAL 4 HN VAL 4 15.492 -4.027 -10.738 22 HA VAL 4 HA VAL 4 14.485 -3.203 -8.227 23 HB VAL 4 HB VAL 4 13.869 -5.614 -9.946 24 HG11 VAL 4 HG11 VAL 4 13.048 -6.392 -7.936 25 HG12 VAL 4 HG12 VAL 4 11.688 -5.372 -8.408 26 HG13 VAL 4 HG13 VAL 4 12.883 -4.773 -7.256 27 HG21 VAL 4 HG21 VAL 4 13.159 -2.826 -10.012 28 HG22 VAL 4 HG22 VAL 4 11.715 -3.778 -9.664 29 HG23 VAL 4 HG23 VAL 4 12.663 -4.110 -11.114 30 H CYS 5 HN CYS 5 16.246 -6.120 -9.231 31 HA CYS 5 HA CYS 5 16.239 -7.370 -6.688 32 HB2 CYS 5 HB2 CYS 5 17.903 -7.682 -9.174 33 HB3 CYS 5 HB1 CYS 5 18.299 -8.576 -7.703 34 H ALA 6 HN ALA 6 18.483 -5.148 -8.278 35 HA ALA 6 HA ALA 6 20.565 -5.288 -6.381 36 HB1 ALA 6 HB1 ALA 6 20.368 -2.645 -7.480 37 HB2 ALA 6 HB2 ALA 6 20.002 -3.825 -8.739 38 HB3 ALA 6 HB3 ALA 6 21.530 -3.917 -7.863 39 H VAL 7 HN VAL 7 17.662 -3.269 -6.562 40 HA VAL 7 HA VAL 7 18.286 -1.553 -4.414 41 HB VAL 7 HB VAL 7 15.662 -2.435 -5.623 42 HG11 VAL 7 HG11 VAL 7 15.448 -1.761 -3.215 43 HG12 VAL 7 HG12 VAL 7 14.597 -0.690 -4.329 44 HG13 VAL 7 HG13 VAL 7 16.145 -0.198 -3.641 45 HG21 VAL 7 HG21 VAL 7 17.397 0.043 -5.826 46 HG22 VAL 7 HG22 VAL 7 15.748 -0.038 -6.444 47 HG23 VAL 7 HG23 VAL 7 16.995 -1.087 -7.119 48 H ALA 8 HN ALA 8 16.487 -4.615 -4.569 49 HA ALA 8 HA ALA 8 15.751 -4.705 -1.840 50 HB1 ALA 8 HB1 ALA 8 15.914 -6.669 -4.075 51 HB2 ALA 8 HB2 ALA 8 14.543 -6.236 -3.054 52 HB3 ALA 8 HB3 ALA 8 15.802 -7.302 -2.432 53 H ALA 9 HN ALA 9 18.603 -5.858 -3.585 54 HA ALA 9 HA ALA 9 19.771 -7.300 -1.448 55 HB1 ALA 9 HB1 ALA 9 21.417 -5.882 -3.520 56 HB2 ALA 9 HB2 ALA 9 20.387 -7.236 -3.985 57 HB3 ALA 9 HB3 ALA 9 21.668 -7.470 -2.795 58 H DBU 10 HN DHB 10 19.949 -3.904 -2.433 59 HB DBU 10 HB DHB 10 22.188 -1.284 -0.560 60 HG1 DBU 10 HG1 DHB 10 22.453 -2.988 -3.092 61 HG2 DBU 10 HG2 DHB 10 23.646 -1.853 -2.460 62 HG3 DBU 10 HG3 DHB 10 22.165 -1.251 -3.207 63 H ALA 11 HN ALA 11 18.492 -2.874 -0.319 64 HA ALA 11 HA ALA 11 18.600 -1.951 2.348 65 HB1 ALA 11 HB1 ALA 11 16.322 -1.997 2.261 66 HB2 ALA 11 HB2 ALA 11 16.277 -3.603 1.534 67 HB3 ALA 11 HB3 ALA 11 16.620 -2.191 0.534 68 H ALA 12 HN ALA 12 18.405 -5.198 0.957 69 HA ALA 12 HA ALA 12 17.988 -6.595 3.383 70 HB1 ALA 12 HB1 ALA 12 18.728 -7.262 0.612 71 HB2 ALA 12 HB2 ALA 12 17.613 -8.075 1.711 72 HB3 ALA 12 HB3 ALA 12 19.346 -8.383 1.825 73 H ALA 13 HN ALA 13 20.907 -5.558 1.686 74 HA ALA 13 HA ALA 13 22.779 -6.949 3.286 75 HB1 ALA 13 HB1 ALA 13 23.948 -6.153 1.525 76 HB2 ALA 13 HB2 ALA 13 24.110 -4.682 2.485 77 HB3 ALA 13 HB3 ALA 13 22.832 -4.810 1.277 78 H ALA 14 HN ALA 14 21.231 -3.792 3.602 79 HA ALA 14 HA ALA 14 22.795 -2.827 5.747 80 HB2 ALA 14 HB2 ALA 14 20.822 -1.764 4.211 81 HB3 ALA 14 HB3 ALA 14 19.946 -2.054 5.713 82 H DHA 15 HN DHA 15 19.918 -4.887 5.621 83 HB1 DHA 15 HB1 DHA 15 17.726 -5.997 6.821 84 HB2 DHA 15 HB2 DHA 15 18.106 -6.640 8.523 85 H ALA 16 HN ALA 16 21.988 -6.508 7.512 86 HA ALA 16 HA ALA 16 22.394 -6.468 10.405 87 HB1 ALA 16 HB1 ALA 16 24.673 -7.375 8.864 88 HB2 ALA 16 HB2 ALA 16 23.197 -8.193 8.351 89 HB3 ALA 16 HB3 ALA 16 23.698 -8.255 10.042 90 H ALA 17 HN ALA 17 24.139 -5.328 7.492 91 HA ALA 17 HA ALA 17 26.139 -3.884 8.837 92 HB1 ALA 17 HB1 ALA 17 25.584 -2.514 6.437 93 HB2 ALA 17 HB2 ALA 17 25.217 -4.212 6.129 94 HB3 ALA 17 HB3 ALA 17 26.817 -3.746 6.708 95 H CYS 18 HN CYS 18 23.031 -2.753 7.517 96 HA CYS 18 HA CYS 18 23.287 -0.058 8.276 97 HB2 CYS 18 HB2 CYS 18 20.883 -1.824 7.804 98 HB3 CYS 18 HB1 CYS 18 20.743 -0.109 8.183 99 H GLY 19 HN GLY 19 22.074 -2.891 9.992 100 HA2 GLY 19 HA2 GLY 19 20.980 -1.580 12.232 101 HA3 GLY 19 HA1 GLY 19 21.571 -3.239 12.211 102 H TRP 20 HN TRP 20 24.265 -2.713 11.527 103 HA TRP 20 HA TRP 20 25.393 -2.231 14.068 104 HB2 TRP 20 HB2 TRP 20 26.594 -2.281 11.301 105 HB3 TRP 20 HB1 TRP 20 27.559 -2.082 12.761 106 HD1 TRP 20 HD1 TRP 20 25.940 -4.643 10.637 107 HE1 TRP 20 HE1 TRP 20 26.148 -6.977 11.744 108 HE3 TRP 20 HE3 TRP 20 27.543 -3.324 15.315 109 HZ2 TRP 20 HZ2 TRP 20 26.868 -8.119 14.203 110 HZ3 TRP 20 HZ3 TRP 20 27.976 -5.079 17.018 111 HH2 TRP 20 HH2 TRP 20 27.633 -7.472 16.441 112 H VAL 21 HN VAL 21 25.018 -0.155 11.223 113 HA VAL 21 HA VAL 21 25.702 2.065 10.921 114 HB VAL 21 HB VAL 21 23.384 2.019 11.826 115 HG11 VAL 21 HG11 VAL 21 23.582 1.210 14.035 116 HG12 VAL 21 HG12 VAL 21 23.286 2.934 14.262 117 HG13 VAL 21 HG13 VAL 21 24.923 2.294 14.402 118 HG21 VAL 21 HG21 VAL 21 24.741 4.428 12.953 119 HG22 VAL 21 HG22 VAL 21 23.315 4.328 11.919 120 HG23 VAL 21 HG23 VAL 21 24.920 4.083 11.232 121 H GLY 22 HN GLY 22 27.778 0.721 12.226 122 HA2 GLY 22 HA2 GLY 22 28.621 1.808 14.667 123 HA3 GLY 22 HA1 GLY 22 29.693 1.170 13.421 124 H GLY 23 HN GLY 23 27.935 3.471 11.890 125 HA2 GLY 23 HA2 GLY 23 29.209 5.874 12.829 126 HA3 GLY 23 HA1 GLY 23 29.954 5.254 11.357 127 H GLY 24 HN GLY 24 26.586 5.456 12.521 128 HA2 GLY 24 HA2 GLY 24 24.681 6.219 11.479 129 HA3 GLY 24 HA1 GLY 24 25.715 7.487 10.818 130 H ILE 25 HN ILE 25 23.731 4.966 10.005 131 HA ILE 25 HA ILE 25 24.752 3.469 8.018 132 HB ILE 25 HB ILE 25 22.270 3.984 8.785 133 HG12 ILE 25 HG12 ILE 25 23.058 2.048 7.425 134 HG13 ILE 25 HG11 ILE 25 21.491 2.653 6.879 135 HG21 ILE 25 HG21 ILE 25 22.290 5.297 6.079 136 HG22 ILE 25 HG22 ILE 25 22.454 6.238 7.562 137 HG23 ILE 25 HG23 ILE 25 21.002 5.278 7.283 138 HD11 ILE 25 HD11 ILE 25 22.568 2.553 4.844 139 HD12 ILE 25 HD12 ILE 25 24.160 2.832 5.552 140 HD13 ILE 25 HD13 ILE 25 23.044 4.180 5.334 141 H PHE 26 HN PHE 26 24.390 6.917 7.990 142 HA PHE 26 HA PHE 26 24.623 7.458 5.239 143 HB2 PHE 26 HB2 PHE 26 24.048 9.192 6.875 144 HB3 PHE 26 HB1 PHE 26 25.658 9.074 7.585 145 HD1 PHE 26 HD1 PHE 26 23.864 9.829 4.396 146 HD2 PHE 26 HD2 PHE 26 27.477 10.282 6.675 147 HE1 PHE 26 HE1 PHE 26 24.731 11.424 2.705 148 HE2 PHE 26 HE2 PHE 26 28.344 11.877 4.984 149 HZ PHE 26 HZ PHE 26 26.970 12.448 3.000 150 H THR 27 HN THR 27 27.156 7.018 7.731 151 HA THR 27 HA THR 27 29.360 7.591 6.082 152 HB THR 27 HB THR 27 29.163 5.664 8.410 153 HG1 THR 27 HG1 THR 27 28.601 7.991 8.638 154 HG21 THR 27 HG21 THR 27 31.620 6.163 8.606 155 HG22 THR 27 HG22 THR 27 31.527 6.963 7.036 156 HG23 THR 27 HG23 THR 27 31.189 5.236 7.169 157 H GLY 28 HN GLY 28 27.708 4.514 6.766 158 HA2 GLY 28 HA2 GLY 28 29.407 2.892 5.175 159 HA3 GLY 28 HA1 GLY 28 27.768 2.481 5.681 160 H VAL 29 HN VAL 29 26.433 4.682 4.484 161 HA VAL 29 HA VAL 29 25.997 3.688 1.878 162 HB VAL 29 HB VAL 29 25.167 6.207 3.309 163 HG11 VAL 29 HG11 VAL 29 25.434 6.485 0.777 164 HG12 VAL 29 HG12 VAL 29 23.841 6.835 1.446 165 HG13 VAL 29 HG13 VAL 29 24.137 5.303 0.621 166 HG21 VAL 29 HG21 VAL 29 23.194 5.083 3.714 167 HG22 VAL 29 HG22 VAL 29 24.279 3.695 3.630 168 HG23 VAL 29 HG23 VAL 29 23.306 4.141 2.228 169 H DBU 30 HN DHB 30 27.734 6.558 3.081 170 HB DBU 30 HB DHB 30 29.533 8.931 0.461 171 HG1 DBU 30 HG1 DHB 30 27.582 10.234 0.592 172 HG2 DBU 30 HG2 DHB 30 27.283 9.500 2.170 173 HG3 DBU 30 HG3 DHB 30 26.611 8.765 0.713 174 H VAL 31 HN VAL 31 29.950 5.568 3.063 175 HA VAL 31 HA VAL 31 32.562 5.504 1.994 176 HB VAL 31 HB VAL 31 31.025 3.924 4.005 177 HG11 VAL 31 HG11 VAL 31 33.614 3.048 2.703 178 HG12 VAL 31 HG12 VAL 31 32.121 2.123 2.859 179 HG13 VAL 31 HG13 VAL 31 33.094 2.475 4.287 180 HG21 VAL 31 HG21 VAL 31 32.145 5.430 5.258 181 HG22 VAL 31 HG22 VAL 31 33.135 5.924 3.883 182 HG23 VAL 31 HG23 VAL 31 33.619 4.543 4.867 183 H VAL 32 HN VAL 32 29.821 3.248 1.671 184 HA VAL 32 HA VAL 32 31.145 1.356 0.057 185 HB VAL 32 HB VAL 32 29.026 0.911 1.237 186 HG11 VAL 32 HG11 VAL 32 28.006 3.144 0.832 187 HG12 VAL 32 HG12 VAL 32 26.930 1.829 0.358 188 HG13 VAL 32 HG13 VAL 32 27.818 2.728 -0.871 189 HG21 VAL 32 HG21 VAL 32 28.925 0.667 -1.780 190 HG22 VAL 32 HG22 VAL 32 27.878 -0.219 -0.671 191 HG23 VAL 32 HG23 VAL 32 29.619 -0.500 -0.657 192 H VAL 33 HN VAL 33 29.124 4.159 -0.778 193 HA VAL 33 HA VAL 33 29.193 3.762 -3.576 194 HB VAL 33 HB VAL 33 28.582 6.177 -3.684 195 HG11 VAL 33 HG11 VAL 33 27.194 4.037 -2.329 196 HG12 VAL 33 HG12 VAL 33 26.530 5.307 -3.356 197 HG13 VAL 33 HG13 VAL 33 26.737 5.588 -1.628 198 HG21 VAL 33 HG21 VAL 33 29.050 5.988 -0.693 199 HG22 VAL 33 HG22 VAL 33 28.228 7.333 -1.485 200 HG23 VAL 33 HG23 VAL 33 29.928 7.011 -1.832 201 H DAL 34 HN DAL 34 31.227 5.673 -1.378 202 HA DAL 34 HA DAL 34 33.354 6.511 -1.655 203 HB1 DAL 34 HB2 DAL 34 33.042 6.664 -4.606 204 HB2 DAL 34 HB3 DAL 34 31.893 7.573 -3.640 205 H LEU 35 HN LEU 35 33.151 3.829 -1.413 206 HA LEU 35 HA LEU 35 35.552 2.840 -2.286 207 HB2 LEU 35 HB2 LEU 35 33.137 1.799 -1.053 208 HB3 LEU 35 HB1 LEU 35 33.855 0.613 -2.142 209 HG LEU 35 HG LEU 35 34.909 0.267 -0.020 210 HD11 LEU 35 HD11 LEU 35 37.030 2.029 -1.048 211 HD12 LEU 35 HD12 LEU 35 36.344 0.949 -2.260 212 HD13 LEU 35 HD13 LEU 35 37.050 0.285 -0.785 213 HD21 LEU 35 HD21 LEU 35 34.717 3.220 0.100 214 HD22 LEU 35 HD22 LEU 35 36.191 2.540 0.787 215 HD23 LEU 35 HD23 LEU 35 34.618 2.033 1.400 216 H LYS 36 HN LYS 36 32.739 3.408 -4.120 217 HA LYS 36 HA LYS 36 33.579 1.550 -6.235 218 HB2 LYS 36 HB2 LYS 36 31.057 3.140 -5.859 219 HB3 LYS 36 HB1 LYS 36 31.405 2.144 -7.275 220 HG2 LYS 36 HG2 LYS 36 31.725 0.183 -5.790 221 HG3 LYS 36 HG1 LYS 36 31.290 1.188 -4.405 222 HD2 LYS 36 HD2 LYS 36 29.119 1.691 -5.495 223 HD3 LYS 36 HD1 LYS 36 29.554 0.586 -6.798 224 HE2 LYS 36 HE2 LYS 36 29.299 -0.163 -3.872 225 HE3 LYS 36 HE1 LYS 36 28.123 -0.539 -5.131 226 HZ1 LYS 36 HZ1 LYS 36 30.929 -1.346 -5.476 227 HZ2 LYS 36 HZ2 LYS 36 29.521 -2.045 -6.120 228 HZ3 LYS 36 HZ3 LYS 36 29.913 -2.273 -4.482 229 H HIS 37 HN HIS 37 32.597 4.965 -5.902 230 HA HIS 37 HA HIS 37 33.917 5.564 -8.460 231 HB2 HIS 37 HB2 HIS 37 32.151 7.334 -6.753 232 HB3 HIS 37 HB1 HIS 37 32.679 7.651 -8.409 233 HD2 HIS 37 HD2 HIS 37 30.099 5.364 -6.511 234 HE1 HIS 37 HE1 HIS 37 29.455 4.914 -10.659 235 HE2 HIS 37 HE2 HIS 37 28.553 4.348 -8.354 236 H CYS 38 HN CYS 38 34.404 5.873 -5.101 237 HA CYS 38 HA CYS 38 36.241 8.122 -5.320 238 HB2 CYS 38 HB2 CYS 38 35.419 6.451 -2.927 239 HB3 CYS 38 HB1 CYS 38 36.408 7.903 -2.879 Start of MODEL 8 1 H1 ABA 1 HT1 ABU 1 12.261 -10.186 -10.909 2 H2 ABA 1 HT2 ABU 1 13.769 -10.529 -11.614 3 H3 ABA 1 HT3 ABU 1 13.003 -9.045 -11.922 4 HA ABA 1 HA ABU 1 13.135 -8.636 -9.436 5 HB2 ABA 1 HB2 ABU 1 15.527 -10.382 -9.387 6 HG1 ABA 1 HG1 ABU 1 14.261 -12.104 -10.302 7 HG3 ABA 1 HG3 ABU 1 13.847 -12.267 -8.596 8 HG2 ABA 1 HG2 ABU 1 12.741 -11.446 -9.698 9 H DBU 2 HN DHB 2 16.304 -9.683 -10.627 10 HB DBU 2 HB DHB 2 18.799 -7.372 -12.479 11 HG1 DBU 2 HG1 DHB 2 17.201 -9.977 -12.884 12 HG2 DBU 2 HG2 DHB 2 18.956 -9.884 -13.039 13 HG3 DBU 2 HG3 DHB 2 17.923 -9.037 -14.191 14 HA PRO 3 HA PRO 3 18.235 -3.965 -10.027 15 HB2 PRO 3 HB2 PRO 3 15.688 -2.971 -11.208 16 HB3 PRO 3 HB1 PRO 3 17.304 -2.274 -11.294 17 HG2 PRO 3 HG2 PRO 3 16.232 -3.481 -13.373 18 HG3 PRO 3 HG1 PRO 3 17.957 -3.672 -12.999 19 HD2 PRO 3 HD2 PRO 3 15.710 -5.580 -12.549 20 HD3 PRO 3 HD1 PRO 3 17.383 -5.912 -13.016 21 H VAL 4 HN VAL 4 14.746 -4.780 -10.069 22 HA VAL 4 HA VAL 4 14.120 -3.443 -7.654 23 HB VAL 4 HB VAL 4 12.076 -4.972 -7.700 24 HG11 VAL 4 HG11 VAL 4 12.864 -2.788 -9.360 25 HG12 VAL 4 HG12 VAL 4 11.232 -3.244 -8.869 26 HG13 VAL 4 HG13 VAL 4 11.925 -3.903 -10.351 27 HG21 VAL 4 HG21 VAL 4 13.420 -6.734 -9.041 28 HG22 VAL 4 HG22 VAL 4 13.099 -5.712 -10.439 29 HG23 VAL 4 HG23 VAL 4 11.759 -6.422 -9.541 30 H CYS 5 HN CYS 5 15.045 -6.777 -8.379 31 HA CYS 5 HA CYS 5 14.642 -7.815 -5.778 32 HB2 CYS 5 HB2 CYS 5 16.174 -8.670 -8.198 33 HB3 CYS 5 HB1 CYS 5 16.502 -9.477 -6.660 34 H ALA 6 HN ALA 6 17.450 -6.344 -7.360 35 HA ALA 6 HA ALA 6 19.308 -6.812 -5.285 36 HB1 ALA 6 HB1 ALA 6 19.141 -4.957 -7.616 37 HB2 ALA 6 HB2 ALA 6 20.365 -6.164 -7.224 38 HB3 ALA 6 HB3 ALA 6 20.342 -4.623 -6.367 39 H VAL 7 HN VAL 7 17.038 -4.160 -5.886 40 HA VAL 7 HA VAL 7 17.952 -2.424 -3.865 41 HB VAL 7 HB VAL 7 15.240 -2.781 -5.151 42 HG11 VAL 7 HG11 VAL 7 16.253 -0.658 -3.245 43 HG12 VAL 7 HG12 VAL 7 14.915 -1.772 -2.971 44 HG13 VAL 7 HG13 VAL 7 14.777 -0.513 -4.197 45 HG21 VAL 7 HG21 VAL 7 16.544 -0.291 -5.686 46 HG22 VAL 7 HG22 VAL 7 16.168 -1.587 -6.822 47 HG23 VAL 7 HG23 VAL 7 17.709 -1.585 -5.966 48 H ALA 8 HN ALA 8 15.439 -4.942 -3.856 49 HA ALA 8 HA ALA 8 14.634 -4.551 -1.165 50 HB1 ALA 8 HB1 ALA 8 13.785 -6.120 -3.287 51 HB2 ALA 8 HB2 ALA 8 13.125 -6.146 -1.652 52 HB3 ALA 8 HB3 ALA 8 14.378 -7.297 -2.115 53 H ALA 9 HN ALA 9 17.078 -6.609 -2.677 54 HA ALA 9 HA ALA 9 17.747 -8.116 -0.374 55 HB1 ALA 9 HB1 ALA 9 19.122 -7.498 -2.967 56 HB2 ALA 9 HB2 ALA 9 18.553 -9.048 -2.346 57 HB3 ALA 9 HB3 ALA 9 20.009 -8.312 -1.678 58 H DBU 10 HN DHB 10 18.904 -5.019 -1.642 59 HB DBU 10 HB DHB 10 21.797 -3.008 0.096 60 HG1 DBU 10 HG1 DHB 10 21.998 -5.156 -1.967 61 HG2 DBU 10 HG2 DHB 10 23.055 -3.759 -1.759 62 HG3 DBU 10 HG3 DHB 10 21.539 -3.594 -2.646 63 H ALA 11 HN ALA 11 17.743 -3.481 0.237 64 HA ALA 11 HA ALA 11 18.008 -2.256 2.773 65 HB1 ALA 11 HB1 ALA 11 15.889 -2.780 0.861 66 HB2 ALA 11 HB2 ALA 11 16.039 -1.471 2.033 67 HB3 ALA 11 HB3 ALA 11 15.328 -3.010 2.518 68 H ALA 12 HN ALA 12 17.027 -5.502 1.774 69 HA ALA 12 HA ALA 12 16.134 -6.409 4.298 70 HB1 ALA 12 HB1 ALA 12 15.715 -7.553 2.107 71 HB2 ALA 12 HB2 ALA 12 16.308 -8.632 3.369 72 HB3 ALA 12 HB3 ALA 12 17.403 -8.065 2.107 73 H ALA 13 HN ALA 13 19.320 -6.392 2.760 74 HA ALA 13 HA ALA 13 20.663 -7.952 4.704 75 HB1 ALA 13 HB1 ALA 13 22.450 -6.021 3.613 76 HB2 ALA 13 HB2 ALA 13 21.337 -6.511 2.335 77 HB3 ALA 13 HB3 ALA 13 22.292 -7.725 3.186 78 H ALA 14 HN ALA 14 20.001 -4.496 4.441 79 HA ALA 14 HA ALA 14 21.646 -3.640 6.571 80 HB2 ALA 14 HB2 ALA 14 20.132 -2.365 4.715 81 HB3 ALA 14 HB3 ALA 14 19.124 -2.166 6.150 82 H DHA 15 HN DHA 15 18.324 -4.861 6.463 83 HB1 DHA 15 HB1 DHA 15 15.843 -5.111 7.619 84 HB2 DHA 15 HB2 DHA 15 15.955 -5.564 9.416 85 H ALA 16 HN ALA 16 19.803 -6.606 8.700 86 HA ALA 16 HA ALA 16 20.049 -6.295 11.596 87 HB1 ALA 16 HB1 ALA 16 21.843 -7.991 9.877 88 HB2 ALA 16 HB2 ALA 16 20.218 -8.531 10.296 89 HB3 ALA 16 HB3 ALA 16 21.398 -8.213 11.568 90 H ALA 17 HN ALA 17 22.199 -6.058 8.742 91 HA ALA 17 HA ALA 17 24.409 -4.957 10.077 92 HB1 ALA 17 HB1 ALA 17 23.475 -4.746 7.212 93 HB2 ALA 17 HB2 ALA 17 24.721 -5.805 7.872 94 HB3 ALA 17 HB3 ALA 17 25.004 -4.068 7.770 95 H CYS 18 HN CYS 18 21.789 -3.308 8.312 96 HA CYS 18 HA CYS 18 22.679 -0.678 8.776 97 HB2 CYS 18 HB2 CYS 18 19.930 -1.823 8.259 98 HB3 CYS 18 HB1 CYS 18 20.252 -0.092 8.358 99 H GLY 19 HN GLY 19 20.560 -2.825 10.629 100 HA2 GLY 19 HA2 GLY 19 19.741 -0.939 12.570 101 HA3 GLY 19 HA1 GLY 19 19.746 -2.687 12.780 102 H TRP 20 HN TRP 20 22.389 -3.330 12.580 103 HA TRP 20 HA TRP 20 23.393 -2.618 15.137 104 HB2 TRP 20 HB2 TRP 20 24.674 -4.009 12.779 105 HB3 TRP 20 HB1 TRP 20 25.472 -3.807 14.337 106 HD1 TRP 20 HD1 TRP 20 23.207 -6.069 12.528 107 HE1 TRP 20 HE1 TRP 20 22.148 -7.779 14.150 108 HE3 TRP 20 HE3 TRP 20 24.431 -3.973 17.027 109 HZ2 TRP 20 HZ2 TRP 20 21.849 -8.212 16.893 110 HZ3 TRP 20 HZ3 TRP 20 23.730 -5.079 19.135 111 HH2 TRP 20 HH2 TRP 20 22.439 -7.198 19.051 112 H VAL 21 HN VAL 21 24.276 -1.629 11.850 113 HA VAL 21 HA VAL 21 26.328 0.178 12.808 114 HB VAL 21 HB VAL 21 25.158 -0.363 10.076 115 HG11 VAL 21 HG11 VAL 21 26.291 1.405 9.228 116 HG12 VAL 21 HG12 VAL 21 27.685 1.121 10.270 117 HG13 VAL 21 HG13 VAL 21 26.294 2.013 10.882 118 HG21 VAL 21 HG21 VAL 21 27.463 -1.326 11.675 119 HG22 VAL 21 HG22 VAL 21 27.819 -0.940 9.992 120 HG23 VAL 21 HG23 VAL 21 26.579 -2.133 10.381 121 H GLY 22 HN GLY 22 26.072 2.275 13.283 122 HA2 GLY 22 HA2 GLY 22 23.447 3.440 13.337 123 HA3 GLY 22 HA1 GLY 22 24.949 4.228 13.810 124 H GLY 23 HN GLY 23 24.725 2.738 10.688 125 HA2 GLY 23 HA2 GLY 23 24.277 3.652 8.574 126 HA3 GLY 23 HA1 GLY 23 24.004 5.218 9.332 127 H GLY 24 HN GLY 24 26.754 4.164 10.712 128 HA2 GLY 24 HA2 GLY 24 28.428 5.989 9.327 129 HA3 GLY 24 HA1 GLY 24 28.960 4.799 10.512 130 H ILE 25 HN ILE 25 28.048 2.472 9.176 131 HA ILE 25 HA ILE 25 30.244 1.970 7.456 132 HB ILE 25 HB ILE 25 28.687 0.366 8.890 133 HG12 ILE 25 HG12 ILE 25 30.795 -0.221 7.686 134 HG13 ILE 25 HG11 ILE 25 29.585 -1.502 7.592 135 HG21 ILE 25 HG21 ILE 25 26.682 0.867 7.477 136 HG22 ILE 25 HG22 ILE 25 27.095 -0.846 7.504 137 HG23 ILE 25 HG23 ILE 25 27.513 0.140 6.102 138 HD11 ILE 25 HD11 ILE 25 30.394 0.466 5.453 139 HD12 ILE 25 HD12 ILE 25 28.858 -0.397 5.374 140 HD13 ILE 25 HD13 ILE 25 30.376 -1.295 5.370 141 H PHE 26 HN PHE 26 26.815 2.604 6.867 142 HA PHE 26 HA PHE 26 26.805 2.164 4.089 143 HB2 PHE 26 HB2 PHE 26 24.745 2.401 5.413 144 HB3 PHE 26 HB1 PHE 26 25.122 4.100 5.699 145 HD1 PHE 26 HD1 PHE 26 24.686 1.644 2.898 146 HD2 PHE 26 HD2 PHE 26 24.342 5.723 4.203 147 HE1 PHE 26 HE1 PHE 26 23.626 2.246 0.738 148 HE2 PHE 26 HE2 PHE 26 23.281 6.324 2.043 149 HZ PHE 26 HZ PHE 26 22.924 4.586 0.310 150 H THR 27 HN THR 27 27.379 5.132 5.964 151 HA THR 27 HA THR 27 27.744 6.826 3.717 152 HB THR 27 HB THR 27 28.818 8.351 5.367 153 HG1 THR 27 HG1 THR 27 28.263 7.002 7.569 154 HG21 THR 27 HG21 THR 27 26.687 8.919 5.794 155 HG22 THR 27 HG22 THR 27 26.629 7.680 7.047 156 HG23 THR 27 HG23 THR 27 26.156 7.286 5.395 157 H GLY 28 HN GLY 28 29.892 4.728 5.544 158 HA2 GLY 28 HA2 GLY 28 32.347 5.735 4.542 159 HA3 GLY 28 HA1 GLY 28 32.098 4.135 5.232 160 H VAL 29 HN VAL 29 30.207 3.108 3.446 161 HA VAL 29 HA VAL 29 31.861 2.204 1.340 162 HB VAL 29 HB VAL 29 29.636 1.241 2.468 163 HG11 VAL 29 HG11 VAL 29 28.231 3.045 1.446 164 HG12 VAL 29 HG12 VAL 29 27.733 1.425 0.963 165 HG13 VAL 29 HG13 VAL 29 28.665 2.429 -0.148 166 HG21 VAL 29 HG21 VAL 29 30.359 0.755 -0.434 167 HG22 VAL 29 HG22 VAL 29 29.581 -0.383 0.666 168 HG23 VAL 29 HG23 VAL 29 31.255 0.098 0.935 169 H DBU 30 HN DHB 30 29.219 4.584 1.446 170 HB DBU 30 HB DHB 30 28.181 6.447 -1.892 171 HG1 DBU 30 HG1 DHB 30 26.672 4.531 -0.347 172 HG2 DBU 30 HG2 DHB 30 27.645 3.599 -1.485 173 HG3 DBU 30 HG3 DHB 30 26.513 4.813 -2.081 174 H VAL 31 HN VAL 31 30.585 6.559 1.628 175 HA VAL 31 HA VAL 31 31.570 8.942 0.434 176 HB VAL 31 HB VAL 31 32.199 7.509 3.014 177 HG11 VAL 31 HG11 VAL 31 34.016 8.804 3.284 178 HG12 VAL 31 HG12 VAL 31 33.060 10.250 2.959 179 HG13 VAL 31 HG13 VAL 31 33.821 9.378 1.629 180 HG21 VAL 31 HG21 VAL 31 30.676 8.948 3.959 181 HG22 VAL 31 HG22 VAL 31 30.014 8.949 2.325 182 HG23 VAL 31 HG23 VAL 31 31.073 10.259 2.848 183 H VAL 32 HN VAL 32 33.101 5.835 1.289 184 HA VAL 32 HA VAL 32 35.709 6.529 0.438 185 HB VAL 32 HB VAL 32 34.295 3.876 0.760 186 HG11 VAL 32 HG11 VAL 32 35.982 3.374 -0.797 187 HG12 VAL 32 HG12 VAL 32 36.748 3.042 0.756 188 HG13 VAL 32 HG13 VAL 32 37.101 4.543 -0.099 189 HG21 VAL 32 HG21 VAL 32 34.822 4.166 2.928 190 HG22 VAL 32 HG22 VAL 32 35.513 5.744 2.552 191 HG23 VAL 32 HG23 VAL 32 36.527 4.302 2.497 192 H VAL 33 HN VAL 33 33.092 4.757 -1.217 193 HA VAL 33 HA VAL 33 34.352 4.135 -3.584 194 HB VAL 33 HB VAL 33 32.171 3.318 -3.373 195 HG11 VAL 33 HG11 VAL 33 31.693 5.532 -1.843 196 HG12 VAL 33 HG12 VAL 33 30.445 4.413 -2.373 197 HG13 VAL 33 HG13 VAL 33 30.743 5.896 -3.279 198 HG21 VAL 33 HG21 VAL 33 31.505 5.635 -5.131 199 HG22 VAL 33 HG22 VAL 33 31.193 3.918 -5.384 200 HG23 VAL 33 HG23 VAL 33 32.818 4.564 -5.615 201 H DAL 34 HN DAL 34 32.199 6.949 -3.280 202 HA DAL 34 HA DAL 34 32.501 9.115 -4.020 203 HB1 DAL 34 HB2 DAL 34 33.444 7.868 -6.548 204 HB2 DAL 34 HB3 DAL 34 31.784 7.695 -6.027 205 H LEU 35 HN LEU 35 34.504 8.701 -2.430 206 HA LEU 35 HA LEU 35 36.560 10.407 -3.291 207 HB2 LEU 35 HB2 LEU 35 36.080 8.632 -0.945 208 HB3 LEU 35 HB1 LEU 35 37.719 9.214 -1.191 209 HG LEU 35 HG LEU 35 36.568 10.803 0.232 210 HD11 LEU 35 HD11 LEU 35 36.409 12.127 -2.458 211 HD12 LEU 35 HD12 LEU 35 37.969 11.560 -1.862 212 HD13 LEU 35 HD13 LEU 35 37.057 12.759 -0.944 213 HD21 LEU 35 HD21 LEU 35 34.339 11.065 0.060 214 HD22 LEU 35 HD22 LEU 35 34.334 10.076 -1.401 215 HD23 LEU 35 HD23 LEU 35 34.552 11.822 -1.519 216 H LYS 36 HN LYS 36 36.329 6.898 -3.190 217 HA LYS 36 HA LYS 36 39.013 6.297 -3.785 218 HB2 LYS 36 HB2 LYS 36 36.429 4.809 -4.201 219 HB3 LYS 36 HB1 LYS 36 37.972 4.141 -4.730 220 HG2 LYS 36 HG2 LYS 36 37.480 5.112 -1.906 221 HG3 LYS 36 HG1 LYS 36 37.252 3.435 -2.403 222 HD2 LYS 36 HD2 LYS 36 39.598 3.336 -3.148 223 HD3 LYS 36 HD1 LYS 36 39.828 5.016 -2.658 224 HE2 LYS 36 HE2 LYS 36 39.285 4.418 -0.330 225 HE3 LYS 36 HE1 LYS 36 39.048 2.739 -0.814 226 HZ1 LYS 36 HZ1 LYS 36 41.225 2.379 -0.803 227 HZ2 LYS 36 HZ2 LYS 36 41.402 3.880 -0.026 228 HZ3 LYS 36 HZ3 LYS 36 41.550 3.772 -1.715 229 H HIS 37 HN HIS 37 36.222 7.011 -5.852 230 HA HIS 37 HA HIS 37 38.115 7.165 -8.125 231 HB2 HIS 37 HB2 HIS 37 35.265 6.147 -8.167 232 HB3 HIS 37 HB1 HIS 37 36.279 6.389 -9.593 233 HD2 HIS 37 HD2 HIS 37 35.745 3.756 -6.798 234 HE1 HIS 37 HE1 HIS 37 39.129 2.540 -9.012 235 HE2 HIS 37 HE2 HIS 37 37.462 1.836 -7.230 236 H CYS 38 HN CYS 38 34.721 8.037 -7.446 237 HA CYS 38 HA CYS 38 34.946 10.444 -9.013 238 HB2 CYS 38 HB2 CYS 38 32.648 10.548 -8.874 239 HB3 CYS 38 HB1 CYS 38 32.891 8.824 -8.595 Start of MODEL 9 1 H1 ABA 1 HT1 ABU 1 14.118 -13.410 -10.338 2 H2 ABA 1 HT2 ABU 1 15.689 -12.999 -10.839 3 H3 ABA 1 HT3 ABU 1 14.350 -12.147 -11.446 4 HA ABA 1 HA ABU 1 13.919 -11.642 -8.940 5 HB2 ABA 1 HB2 ABU 1 16.874 -12.278 -9.131 6 HG1 ABA 1 HG1 ABU 1 15.899 -14.223 -8.365 7 HG3 ABA 1 HG3 ABU 1 16.046 -13.367 -6.830 8 HG2 ABA 1 HG2 ABU 1 14.505 -13.381 -7.688 9 H DBU 2 HN DHB 2 17.066 -10.733 -10.317 10 HB DBU 2 HB DHB 2 17.614 -7.493 -12.423 11 HG1 DBU 2 HG1 DHB 2 17.093 -9.362 -14.105 12 HG2 DBU 2 HG2 DHB 2 17.488 -10.527 -12.841 13 HG3 DBU 2 HG3 DHB 2 18.742 -9.469 -13.489 14 HA PRO 3 HA PRO 3 16.533 -5.070 -9.043 15 HB2 PRO 3 HB2 PRO 3 14.388 -3.800 -10.179 16 HB3 PRO 3 HB1 PRO 3 16.028 -3.698 -10.809 17 HG2 PRO 3 HG2 PRO 3 13.730 -5.320 -11.704 18 HG3 PRO 3 HG1 PRO 3 14.969 -4.473 -12.654 19 HD2 PRO 3 HD2 PRO 3 15.037 -7.114 -12.207 20 HD3 PRO 3 HD1 PRO 3 16.502 -6.146 -12.399 21 H VAL 4 HN VAL 4 13.646 -6.939 -9.872 22 HA VAL 4 HA VAL 4 11.973 -6.012 -7.788 23 HB VAL 4 HB VAL 4 12.014 -8.624 -9.313 24 HG11 VAL 4 HG11 VAL 4 9.752 -8.982 -8.441 25 HG12 VAL 4 HG12 VAL 4 9.858 -7.492 -7.503 26 HG13 VAL 4 HG13 VAL 4 10.897 -8.861 -7.104 27 HG21 VAL 4 HG21 VAL 4 10.495 -7.621 -10.766 28 HG22 VAL 4 HG22 VAL 4 11.519 -6.245 -10.357 29 HG23 VAL 4 HG23 VAL 4 9.959 -6.450 -9.562 30 H CYS 5 HN CYS 5 14.065 -8.888 -8.007 31 HA CYS 5 HA CYS 5 13.593 -9.556 -5.221 32 HB2 CYS 5 HB2 CYS 5 14.823 -11.520 -5.636 33 HB3 CYS 5 HB1 CYS 5 13.975 -11.209 -7.149 34 H ALA 6 HN ALA 6 16.265 -8.361 -7.209 35 HA ALA 6 HA ALA 6 18.258 -8.282 -5.242 36 HB1 ALA 6 HB1 ALA 6 17.818 -6.417 -7.587 37 HB2 ALA 6 HB2 ALA 6 18.763 -7.906 -7.599 38 HB3 ALA 6 HB3 ALA 6 19.307 -6.523 -6.649 39 H VAL 7 HN VAL 7 15.882 -5.780 -6.167 40 HA VAL 7 HA VAL 7 16.748 -3.847 -4.292 41 HB VAL 7 HB VAL 7 14.101 -4.262 -5.692 42 HG11 VAL 7 HG11 VAL 7 13.984 -1.705 -5.015 43 HG12 VAL 7 HG12 VAL 7 15.016 -2.241 -3.689 44 HG13 VAL 7 HG13 VAL 7 13.421 -2.958 -3.910 45 HG21 VAL 7 HG21 VAL 7 15.936 -3.707 -7.191 46 HG22 VAL 7 HG22 VAL 7 16.460 -2.404 -6.127 47 HG23 VAL 7 HG23 VAL 7 14.928 -2.275 -6.991 48 H ALA 8 HN ALA 8 14.157 -6.296 -4.192 49 HA ALA 8 HA ALA 8 13.160 -5.615 -1.639 50 HB1 ALA 8 HB1 ALA 8 11.754 -7.015 -2.866 51 HB2 ALA 8 HB2 ALA 8 12.451 -8.129 -1.689 52 HB3 ALA 8 HB3 ALA 8 13.072 -8.088 -3.340 53 H ALA 9 HN ALA 9 15.641 -7.950 -2.649 54 HA ALA 9 HA ALA 9 16.159 -9.007 -0.074 55 HB1 ALA 9 HB1 ALA 9 18.459 -8.895 -1.900 56 HB2 ALA 9 HB2 ALA 9 17.003 -9.584 -2.620 57 HB3 ALA 9 HB3 ALA 9 17.678 -10.287 -1.150 58 H DBU 10 HN DHB 10 17.478 -6.239 -1.845 59 HB DBU 10 HB DHB 10 20.366 -4.010 -0.392 60 HG1 DBU 10 HG1 DHB 10 20.375 -6.471 -2.163 61 HG2 DBU 10 HG2 DHB 10 21.687 -5.317 -1.915 62 HG3 DBU 10 HG3 DHB 10 20.339 -4.905 -2.975 63 H ALA 11 HN ALA 11 16.296 -4.357 -0.312 64 HA ALA 11 HA ALA 11 16.515 -2.694 1.965 65 HB1 ALA 11 HB1 ALA 11 14.686 -2.881 0.037 66 HB2 ALA 11 HB2 ALA 11 14.292 -2.212 1.622 67 HB3 ALA 11 HB3 ALA 11 13.878 -3.885 1.242 68 H ALA 12 HN ALA 12 15.427 -6.037 1.543 69 HA ALA 12 HA ALA 12 14.488 -6.433 4.184 70 HB1 ALA 12 HB1 ALA 12 15.705 -8.650 2.571 71 HB2 ALA 12 HB2 ALA 12 14.202 -7.899 2.037 72 HB3 ALA 12 HB3 ALA 12 14.285 -8.682 3.616 73 H ALA 13 HN ALA 13 17.661 -6.849 2.680 74 HA ALA 13 HA ALA 13 18.929 -8.105 4.880 75 HB1 ALA 13 HB1 ALA 13 19.792 -6.757 2.383 76 HB2 ALA 13 HB2 ALA 13 20.261 -8.324 3.040 77 HB3 ALA 13 HB3 ALA 13 20.986 -6.848 3.677 78 H ALA 14 HN ALA 14 18.460 -4.722 3.987 79 HA ALA 14 HA ALA 14 20.170 -3.580 5.921 80 HB2 ALA 14 HB2 ALA 14 18.690 -2.594 3.864 81 HB3 ALA 14 HB3 ALA 14 17.728 -2.067 5.246 82 H DHA 15 HN DHA 15 16.777 -4.599 6.044 83 HB1 DHA 15 HB1 DHA 15 14.305 -4.528 7.230 84 HB2 DHA 15 HB2 DHA 15 14.410 -4.638 9.078 85 H ALA 16 HN ALA 16 18.166 -6.005 8.614 86 HA ALA 16 HA ALA 16 18.453 -5.122 11.388 87 HB1 ALA 16 HB1 ALA 16 18.586 -7.599 10.264 88 HB2 ALA 16 HB2 ALA 16 19.321 -7.172 11.809 89 HB3 ALA 16 HB3 ALA 16 20.296 -7.172 10.338 90 H ALA 17 HN ALA 17 20.514 -5.547 8.502 91 HA ALA 17 HA ALA 17 22.845 -4.409 9.598 92 HB1 ALA 17 HB1 ALA 17 23.740 -4.624 7.497 93 HB2 ALA 17 HB2 ALA 17 22.278 -4.044 6.698 94 HB3 ALA 17 HB3 ALA 17 22.350 -5.693 7.316 95 H CYS 18 HN CYS 18 20.331 -2.934 7.546 96 HA CYS 18 HA CYS 18 21.400 -0.336 7.511 97 HB2 CYS 18 HB2 CYS 18 18.568 -1.348 7.222 98 HB3 CYS 18 HB1 CYS 18 19.027 0.337 6.986 99 H GLY 19 HN GLY 19 19.242 -1.962 9.769 100 HA2 GLY 19 HA2 GLY 19 18.608 0.347 11.321 101 HA3 GLY 19 HA1 GLY 19 18.391 -1.326 11.822 102 H TRP 20 HN TRP 20 21.136 -2.111 11.485 103 HA TRP 20 HA TRP 20 22.161 -1.241 14.022 104 HB2 TRP 20 HB2 TRP 20 23.295 -3.026 11.864 105 HB3 TRP 20 HB1 TRP 20 24.109 -2.708 13.397 106 HD1 TRP 20 HD1 TRP 20 20.316 -3.028 13.248 107 HE1 TRP 20 HE1 TRP 20 19.623 -5.172 14.529 108 HE3 TRP 20 HE3 TRP 20 24.897 -5.110 14.132 109 HZ2 TRP 20 HZ2 TRP 20 20.807 -7.421 15.743 110 HZ3 TRP 20 HZ3 TRP 20 25.074 -7.260 15.358 111 HH2 TRP 20 HH2 TRP 20 23.017 -8.401 16.155 112 H VAL 21 HN VAL 21 23.331 -0.930 10.663 113 HA VAL 21 HA VAL 21 25.452 0.248 10.251 114 HB VAL 21 HB VAL 21 23.343 2.383 10.211 115 HG11 VAL 21 HG11 VAL 21 25.573 2.876 9.317 116 HG12 VAL 21 HG12 VAL 21 24.394 2.812 8.008 117 HG13 VAL 21 HG13 VAL 21 25.484 1.453 8.278 118 HG21 VAL 21 HG21 VAL 21 22.237 1.359 8.362 119 HG22 VAL 21 HG22 VAL 21 22.380 0.092 9.578 120 HG23 VAL 21 HG23 VAL 21 23.485 0.123 8.204 121 H GLY 22 HN GLY 22 26.815 0.513 11.990 122 HA2 GLY 22 HA2 GLY 22 26.178 2.471 14.056 123 HA3 GLY 22 HA1 GLY 22 27.584 1.410 14.018 124 H GLY 23 HN GLY 23 27.069 2.887 11.041 125 HA2 GLY 23 HA2 GLY 23 27.792 5.054 10.267 126 HA3 GLY 23 HA1 GLY 23 28.836 5.163 11.680 127 H GLY 24 HN GLY 24 29.351 2.129 10.961 128 HA2 GLY 24 HA2 GLY 24 31.889 2.527 9.776 129 HA3 GLY 24 HA1 GLY 24 31.076 0.976 9.967 130 H ILE 25 HN ILE 25 28.747 1.578 8.440 131 HA ILE 25 HA ILE 25 29.669 0.932 5.839 132 HB ILE 25 HB ILE 25 27.331 0.572 7.073 133 HG12 ILE 25 HG12 ILE 25 28.159 -0.370 4.871 134 HG13 ILE 25 HG11 ILE 25 26.421 -0.065 4.928 135 HG21 ILE 25 HG21 ILE 25 26.775 2.970 7.123 136 HG22 ILE 25 HG22 ILE 25 25.633 2.093 6.104 137 HG23 ILE 25 HG23 ILE 25 26.920 3.048 5.369 138 HD11 ILE 25 HD11 ILE 25 28.377 1.045 3.135 139 HD12 ILE 25 HD12 ILE 25 27.653 2.346 4.082 140 HD13 ILE 25 HD13 ILE 25 26.627 1.271 3.131 141 H PHE 26 HN PHE 26 28.448 3.920 7.284 142 HA PHE 26 HA PHE 26 28.357 5.485 4.943 143 HB2 PHE 26 HB2 PHE 26 27.321 6.203 7.050 144 HB3 PHE 26 HB1 PHE 26 28.913 6.349 7.796 145 HD1 PHE 26 HD1 PHE 26 26.725 7.682 5.099 146 HD2 PHE 26 HD2 PHE 26 30.295 8.257 7.417 147 HE1 PHE 26 HE1 PHE 26 26.945 9.980 4.190 148 HE2 PHE 26 HE2 PHE 26 30.516 10.554 6.508 149 HZ PHE 26 HZ PHE 26 28.840 11.416 4.896 150 H THR 27 HN THR 27 30.968 4.954 7.303 151 HA THR 27 HA THR 27 32.837 6.754 6.251 152 HB THR 27 HB THR 27 33.305 4.078 7.592 153 HG1 THR 27 HG1 THR 27 32.893 5.118 9.357 154 HG21 THR 27 HG21 THR 27 35.529 4.498 7.564 155 HG22 THR 27 HG22 THR 27 35.295 6.214 7.901 156 HG23 THR 27 HG23 THR 27 35.156 5.613 6.249 157 H GLY 28 HN GLY 28 32.359 3.293 5.520 158 HA2 GLY 28 HA2 GLY 28 34.391 3.136 3.544 159 HA3 GLY 28 HA1 GLY 28 33.063 1.999 3.746 160 H VAL 29 HN VAL 29 30.943 3.917 3.417 161 HA VAL 29 HA VAL 29 30.680 3.877 0.598 162 HB VAL 29 HB VAL 29 29.104 5.279 2.762 163 HG11 VAL 29 HG11 VAL 29 29.146 6.067 0.152 164 HG12 VAL 29 HG12 VAL 29 27.739 6.207 1.206 165 HG13 VAL 29 HG13 VAL 29 27.888 4.833 0.110 166 HG21 VAL 29 HG21 VAL 29 28.218 2.986 1.021 167 HG22 VAL 29 HG22 VAL 29 27.631 3.457 2.616 168 HG23 VAL 29 HG23 VAL 29 29.206 2.682 2.450 169 H DBU 30 HN DHB 30 31.414 6.467 2.923 170 HB DBU 30 HB DHB 30 32.035 10.144 1.605 171 HG1 DBU 30 HG1 DHB 30 29.378 8.914 1.707 172 HG2 DBU 30 HG2 DHB 30 29.816 10.529 2.266 173 HG3 DBU 30 HG3 DHB 30 29.966 9.148 3.354 174 H VAL 31 HN VAL 31 33.868 6.423 2.549 175 HA VAL 31 HA VAL 31 36.188 7.703 1.604 176 HB VAL 31 HB VAL 31 35.730 5.643 3.295 177 HG11 VAL 31 HG11 VAL 31 36.858 4.385 0.776 178 HG12 VAL 31 HG12 VAL 31 35.232 4.109 1.393 179 HG13 VAL 31 HG13 VAL 31 36.631 3.582 2.329 180 HG21 VAL 31 HG21 VAL 31 38.390 5.570 1.981 181 HG22 VAL 31 HG22 VAL 31 37.979 5.796 3.682 182 HG23 VAL 31 HG23 VAL 31 37.857 7.149 2.557 183 H VAL 32 HN VAL 32 34.290 5.008 0.246 184 HA VAL 32 HA VAL 32 35.934 4.531 -1.990 185 HB VAL 32 HB VAL 32 33.837 3.233 -0.965 186 HG11 VAL 32 HG11 VAL 32 31.895 3.494 -2.531 187 HG12 VAL 32 HG12 VAL 32 32.691 4.911 -3.216 188 HG13 VAL 32 HG13 VAL 32 32.179 4.918 -1.530 189 HG21 VAL 32 HG21 VAL 32 34.734 1.850 -2.502 190 HG22 VAL 32 HG22 VAL 32 35.278 3.206 -3.489 191 HG23 VAL 32 HG23 VAL 32 33.641 2.577 -3.680 192 H VAL 33 HN VAL 33 33.057 6.586 -1.592 193 HA VAL 33 HA VAL 33 32.946 7.496 -4.264 194 HB VAL 33 HB VAL 33 31.613 9.384 -3.288 195 HG11 VAL 33 HG11 VAL 33 30.839 6.682 -2.162 196 HG12 VAL 33 HG12 VAL 33 30.677 7.098 -3.868 197 HG13 VAL 33 HG13 VAL 33 29.758 7.986 -2.652 198 HG21 VAL 33 HG21 VAL 33 32.283 7.964 -0.695 199 HG22 VAL 33 HG22 VAL 33 31.117 9.276 -0.866 200 HG23 VAL 33 HG23 VAL 33 32.830 9.574 -1.159 201 H DAL 34 HN DAL 34 34.558 8.761 -1.376 202 HA DAL 34 HA DAL 34 36.401 10.113 -1.205 203 HB1 DAL 34 HB2 DAL 34 34.915 11.809 -3.191 204 HB2 DAL 34 HB3 DAL 34 34.520 11.719 -1.485 205 H LEU 35 HN LEU 35 37.416 8.210 -2.430 206 HA LEU 35 HA LEU 35 39.382 9.212 -4.142 207 HB2 LEU 35 HB2 LEU 35 39.542 7.122 -2.769 208 HB3 LEU 35 HB1 LEU 35 38.457 6.333 -3.919 209 HG LEU 35 HG LEU 35 40.064 6.845 -5.750 210 HD11 LEU 35 HD11 LEU 35 41.201 8.485 -3.638 211 HD12 LEU 35 HD12 LEU 35 41.527 8.521 -5.372 212 HD13 LEU 35 HD13 LEU 35 42.418 7.411 -4.330 213 HD21 LEU 35 HD21 LEU 35 42.040 5.524 -4.264 214 HD22 LEU 35 HD22 LEU 35 40.760 4.762 -5.207 215 HD23 LEU 35 HD23 LEU 35 40.524 5.068 -3.487 216 H LYS 36 HN LYS 36 36.351 7.514 -4.830 217 HA LYS 36 HA LYS 36 36.721 7.171 -7.599 218 HB2 LYS 36 HB2 LYS 36 34.239 7.398 -5.918 219 HB3 LYS 36 HB1 LYS 36 34.195 7.088 -7.655 220 HG2 LYS 36 HG2 LYS 36 35.663 5.107 -7.315 221 HG3 LYS 36 HG1 LYS 36 35.610 5.396 -5.576 222 HD2 LYS 36 HD2 LYS 36 33.174 5.131 -5.591 223 HD3 LYS 36 HD1 LYS 36 33.211 4.877 -7.334 224 HE2 LYS 36 HE2 LYS 36 34.602 2.868 -7.028 225 HE3 LYS 36 HE1 LYS 36 34.592 3.120 -5.284 226 HZ1 LYS 36 HZ1 LYS 36 32.841 1.727 -5.420 227 HZ2 LYS 36 HZ2 LYS 36 32.488 2.127 -7.032 228 HZ3 LYS 36 HZ3 LYS 36 31.992 3.153 -5.771 229 H HIS 37 HN HIS 37 35.437 9.861 -5.709 230 HA HIS 37 HA HIS 37 35.312 11.457 -8.200 231 HB2 HIS 37 HB2 HIS 37 33.617 11.654 -5.701 232 HB3 HIS 37 HB1 HIS 37 33.572 12.814 -7.030 233 HD2 HIS 37 HD2 HIS 37 32.414 9.135 -6.270 234 HE1 HIS 37 HE1 HIS 37 30.979 10.198 -10.099 235 HE2 HIS 37 HE2 HIS 37 30.890 8.434 -8.274 236 H CYS 38 HN CYS 38 35.517 11.969 -4.663 237 HA CYS 38 HA CYS 38 37.166 14.331 -5.105 238 HB2 CYS 38 HB2 CYS 38 36.622 14.954 -2.951 239 HB3 CYS 38 HB1 CYS 38 35.199 14.007 -3.381 Start of MODEL 10 1 H1 ABA 1 HT1 ABU 1 14.442 -10.805 -11.203 2 H2 ABA 1 HT2 ABU 1 13.579 -9.856 -12.317 3 H3 ABA 1 HT3 ABU 1 12.750 -10.714 -11.107 4 HA ABA 1 HA ABU 1 12.893 -8.348 -10.580 5 HB2 ABA 1 HB2 ABU 1 13.456 -10.528 -8.941 6 HG1 ABA 1 HG1 ABU 1 11.945 -8.303 -8.874 7 HG3 ABA 1 HG3 ABU 1 12.224 -9.300 -7.447 8 HG2 ABA 1 HG2 ABU 1 13.176 -7.838 -7.702 9 H DBU 2 HN DHB 2 16.001 -10.005 -10.972 10 HB DBU 2 HB DHB 2 19.214 -8.326 -12.294 11 HG1 DBU 2 HG1 DHB 2 18.914 -10.690 -13.130 12 HG2 DBU 2 HG2 DHB 2 17.975 -9.636 -14.184 13 HG3 DBU 2 HG3 DHB 2 17.171 -10.542 -12.902 14 HA PRO 3 HA PRO 3 19.067 -5.037 -9.530 15 HB2 PRO 3 HB2 PRO 3 17.304 -3.325 -11.219 16 HB3 PRO 3 HB1 PRO 3 19.017 -3.136 -10.838 17 HG2 PRO 3 HG2 PRO 3 18.284 -3.953 -13.212 18 HG3 PRO 3 HG1 PRO 3 19.665 -4.714 -12.397 19 HD2 PRO 3 HD2 PRO 3 16.857 -5.712 -12.662 20 HD3 PRO 3 HD1 PRO 3 18.380 -6.598 -12.837 21 H VAL 4 HN VAL 4 15.645 -5.327 -10.345 22 HA VAL 4 HA VAL 4 14.581 -3.615 -8.382 23 HB VAL 4 HB VAL 4 13.425 -6.078 -9.701 24 HG11 VAL 4 HG11 VAL 4 11.417 -4.278 -8.790 25 HG12 VAL 4 HG12 VAL 4 12.492 -4.596 -7.428 26 HG13 VAL 4 HG13 VAL 4 11.704 -5.937 -8.262 27 HG21 VAL 4 HG21 VAL 4 13.553 -3.157 -10.314 28 HG22 VAL 4 HG22 VAL 4 12.056 -4.002 -10.703 29 HG23 VAL 4 HG23 VAL 4 13.579 -4.536 -11.413 30 H CYS 5 HN CYS 5 15.183 -7.129 -8.292 31 HA CYS 5 HA CYS 5 14.342 -7.308 -5.521 32 HB2 CYS 5 HB2 CYS 5 15.662 -9.631 -5.941 33 HB3 CYS 5 HB1 CYS 5 13.990 -9.367 -6.390 34 H ALA 6 HN ALA 6 17.391 -7.758 -7.240 35 HA ALA 6 HA ALA 6 19.086 -8.163 -5.089 36 HB1 ALA 6 HB1 ALA 6 19.543 -6.797 -7.739 37 HB2 ALA 6 HB2 ALA 6 19.998 -8.431 -7.258 38 HB3 ALA 6 HB3 ALA 6 20.846 -7.044 -6.576 39 H VAL 7 HN VAL 7 18.100 -5.056 -6.526 40 HA VAL 7 HA VAL 7 19.614 -3.423 -4.795 41 HB VAL 7 HB VAL 7 17.079 -2.889 -6.351 42 HG11 VAL 7 HG11 VAL 7 17.522 -0.526 -5.945 43 HG12 VAL 7 HG12 VAL 7 18.949 -0.933 -4.993 44 HG13 VAL 7 HG13 VAL 7 17.344 -1.366 -4.405 45 HG21 VAL 7 HG21 VAL 7 18.551 -1.885 -7.967 46 HG22 VAL 7 HG22 VAL 7 19.240 -3.460 -7.573 47 HG23 VAL 7 HG23 VAL 7 19.928 -1.996 -6.870 48 H ALA 8 HN ALA 8 16.246 -4.570 -4.655 49 HA ALA 8 HA ALA 8 15.530 -3.194 -2.293 50 HB1 ALA 8 HB1 ALA 8 14.111 -4.578 -4.062 51 HB2 ALA 8 HB2 ALA 8 13.551 -4.366 -2.403 52 HB3 ALA 8 HB3 ALA 8 14.343 -5.868 -2.882 53 H ALA 9 HN ALA 9 16.991 -6.367 -2.847 54 HA ALA 9 HA ALA 9 16.838 -7.302 -0.180 55 HB1 ALA 9 HB1 ALA 9 18.802 -8.766 -0.928 56 HB2 ALA 9 HB2 ALA 9 18.649 -7.974 -2.497 57 HB3 ALA 9 HB3 ALA 9 17.306 -8.917 -1.850 58 H DBU 10 HN DHB 10 19.254 -5.374 -1.913 59 HB DBU 10 HB DHB 10 22.570 -4.118 -0.262 60 HG1 DBU 10 HG1 DHB 10 21.643 -6.031 -2.478 61 HG2 DBU 10 HG2 DHB 10 23.089 -6.337 -1.516 62 HG3 DBU 10 HG3 DHB 10 23.019 -4.933 -2.581 63 H ALA 11 HN ALA 11 18.690 -3.027 -0.463 64 HA ALA 11 HA ALA 11 19.306 -1.546 1.865 65 HB1 ALA 11 HB1 ALA 11 16.541 -1.779 0.689 66 HB2 ALA 11 HB2 ALA 11 17.819 -0.876 -0.123 67 HB3 ALA 11 HB3 ALA 11 17.282 -0.391 1.485 68 H ALA 12 HN ALA 12 17.130 -4.274 1.280 69 HA ALA 12 HA ALA 12 15.881 -4.277 3.821 70 HB1 ALA 12 HB1 ALA 12 14.937 -5.507 1.942 71 HB2 ALA 12 HB2 ALA 12 15.278 -6.619 3.267 72 HB3 ALA 12 HB3 ALA 12 16.360 -6.546 1.876 73 H ALA 13 HN ALA 13 18.829 -5.778 2.591 74 HA ALA 13 HA ALA 13 19.376 -7.420 4.828 75 HB1 ALA 13 HB1 ALA 13 20.639 -7.961 2.949 76 HB2 ALA 13 HB2 ALA 13 21.816 -7.099 3.940 77 HB3 ALA 13 HB3 ALA 13 21.024 -6.276 2.597 78 H ALA 14 HN ALA 14 20.150 -4.057 4.079 79 HA ALA 14 HA ALA 14 21.939 -3.602 6.216 80 HB2 ALA 14 HB2 ALA 14 21.065 -2.114 4.101 81 HB3 ALA 14 HB3 ALA 14 20.236 -1.328 5.444 82 H DHA 15 HN DHA 15 18.408 -3.464 5.995 83 HB1 DHA 15 HB1 DHA 15 15.988 -2.600 6.961 84 HB2 DHA 15 HB2 DHA 15 15.874 -2.763 8.805 85 H ALA 16 HN ALA 16 18.987 -5.293 8.603 86 HA ALA 16 HA ALA 16 19.306 -4.593 11.421 87 HB1 ALA 16 HB1 ALA 16 18.566 -6.830 11.051 88 HB2 ALA 16 HB2 ALA 16 20.255 -6.943 11.547 89 HB3 ALA 16 HB3 ALA 16 19.821 -7.117 9.845 90 H ALA 17 HN ALA 17 21.381 -5.582 8.681 91 HA ALA 17 HA ALA 17 23.844 -5.310 10.023 92 HB1 ALA 17 HB1 ALA 17 23.498 -6.479 7.842 93 HB2 ALA 17 HB2 ALA 17 24.856 -5.354 7.830 94 HB3 ALA 17 HB3 ALA 17 23.330 -4.902 7.070 95 H CYS 18 HN CYS 18 22.153 -3.021 7.874 96 HA CYS 18 HA CYS 18 24.037 -0.932 8.097 97 HB2 CYS 18 HB2 CYS 18 21.074 -0.904 7.471 98 HB3 CYS 18 HB1 CYS 18 22.126 0.503 7.321 99 H GLY 19 HN GLY 19 21.066 -1.664 9.880 100 HA2 GLY 19 HA2 GLY 19 21.151 0.619 11.581 101 HA3 GLY 19 HA1 GLY 19 20.206 -0.843 11.854 102 H TRP 20 HN TRP 20 22.552 -2.589 11.717 103 HA TRP 20 HA TRP 20 23.204 -2.749 14.433 104 HB2 TRP 20 HB2 TRP 20 23.767 -4.194 12.052 105 HB3 TRP 20 HB1 TRP 20 25.306 -3.896 12.863 106 HD1 TRP 20 HD1 TRP 20 24.065 -3.833 15.807 107 HE1 TRP 20 HE1 TRP 20 23.442 -6.095 16.922 108 HE3 TRP 20 HE3 TRP 20 23.635 -6.801 11.678 109 HZ2 TRP 20 HZ2 TRP 20 22.854 -8.748 16.182 110 HZ3 TRP 20 HZ3 TRP 20 23.037 -9.201 11.923 111 HH2 TRP 20 HH2 TRP 20 22.652 -10.156 14.183 112 H VAL 21 HN VAL 21 25.174 -1.556 11.739 113 HA VAL 21 HA VAL 21 27.345 -0.713 13.366 114 HB VAL 21 HB VAL 21 26.595 0.233 10.594 115 HG11 VAL 21 HG11 VAL 21 28.266 1.650 11.543 116 HG12 VAL 21 HG12 VAL 21 29.126 0.514 10.504 117 HG13 VAL 21 HG13 VAL 21 29.119 0.281 12.252 118 HG21 VAL 21 HG21 VAL 21 27.064 -1.867 9.916 119 HG22 VAL 21 HG22 VAL 21 27.448 -2.354 11.567 120 HG23 VAL 21 HG23 VAL 21 28.700 -1.656 10.540 121 H GLY 22 HN GLY 22 24.295 0.662 12.530 122 HA2 GLY 22 HA2 GLY 22 23.272 2.511 13.529 123 HA3 GLY 22 HA1 GLY 22 24.825 2.971 14.221 124 H GLY 23 HN GLY 23 24.863 2.206 10.885 125 HA2 GLY 23 HA2 GLY 23 24.569 3.611 8.992 126 HA3 GLY 23 HA1 GLY 23 24.504 5.004 10.066 127 H GLY 24 HN GLY 24 26.952 3.314 11.308 128 HA2 GLY 24 HA2 GLY 24 28.973 5.053 10.341 129 HA3 GLY 24 HA1 GLY 24 29.237 3.606 11.310 130 H ILE 25 HN ILE 25 28.112 1.702 9.561 131 HA ILE 25 HA ILE 25 30.316 1.214 7.836 132 HB ILE 25 HB ILE 25 28.529 -0.394 8.976 133 HG12 ILE 25 HG12 ILE 25 30.606 -1.049 7.769 134 HG13 ILE 25 HG11 ILE 25 29.263 -2.139 7.420 135 HG21 ILE 25 HG21 ILE 25 27.446 0.067 6.177 136 HG22 ILE 25 HG22 ILE 25 26.616 0.450 7.686 137 HG23 ILE 25 HG23 ILE 25 26.941 -1.230 7.259 138 HD11 ILE 25 HD11 ILE 25 30.655 -0.227 5.637 139 HD12 ILE 25 HD12 ILE 25 28.901 -0.290 5.463 140 HD13 ILE 25 HD13 ILE 25 29.862 -1.754 5.250 141 H PHE 26 HN PHE 26 27.004 2.318 7.289 142 HA PHE 26 HA PHE 26 27.050 2.344 4.470 143 HB2 PHE 26 HB2 PHE 26 24.987 2.575 5.814 144 HB3 PHE 26 HB1 PHE 26 25.522 4.171 6.343 145 HD1 PHE 26 HD1 PHE 26 24.806 2.168 3.271 146 HD2 PHE 26 HD2 PHE 26 25.061 6.074 5.036 147 HE1 PHE 26 HE1 PHE 26 23.873 3.163 1.200 148 HE2 PHE 26 HE2 PHE 26 24.128 7.071 2.965 149 HZ PHE 26 HZ PHE 26 23.535 5.615 1.047 150 H THR 27 HN THR 27 27.911 4.835 6.855 151 HA THR 27 HA THR 27 28.428 6.933 5.064 152 HB THR 27 HB THR 27 29.927 6.403 7.637 153 HG1 THR 27 HG1 THR 27 27.365 6.549 7.341 154 HG21 THR 27 HG21 THR 27 30.910 8.269 6.646 155 HG22 THR 27 HG22 THR 27 29.644 9.013 7.622 156 HG23 THR 27 HG23 THR 27 29.403 8.785 5.889 157 H GLY 28 HN GLY 28 30.602 4.422 6.354 158 HA2 GLY 28 HA2 GLY 28 32.923 5.326 4.996 159 HA3 GLY 28 HA1 GLY 28 32.676 3.705 5.642 160 H VAL 29 HN VAL 29 30.409 2.960 4.177 161 HA VAL 29 HA VAL 29 31.566 2.035 1.774 162 HB VAL 29 HB VAL 29 28.742 2.073 2.833 163 HG11 VAL 29 HG11 VAL 29 29.218 0.191 0.688 164 HG12 VAL 29 HG12 VAL 29 29.493 1.842 0.137 165 HG13 VAL 29 HG13 VAL 29 27.943 1.398 0.850 166 HG21 VAL 29 HG21 VAL 29 29.211 -0.393 2.978 167 HG22 VAL 29 HG22 VAL 29 30.263 0.583 4.003 168 HG23 VAL 29 HG23 VAL 29 30.870 -0.061 2.477 169 H DBU 30 HN DHB 30 29.171 4.597 2.437 170 HB DBU 30 HB DHB 30 27.756 6.739 -0.578 171 HG1 DBU 30 HG1 DHB 30 27.013 3.943 -0.178 172 HG2 DBU 30 HG2 DHB 30 25.911 5.293 -0.447 173 HG3 DBU 30 HG3 DHB 30 26.408 4.874 1.192 174 H VAL 31 HN VAL 31 30.740 6.464 2.430 175 HA VAL 31 HA VAL 31 31.736 8.782 1.132 176 HB VAL 31 HB VAL 31 32.690 7.190 3.512 177 HG11 VAL 31 HG11 VAL 31 33.698 9.868 2.517 178 HG12 VAL 31 HG12 VAL 31 34.571 8.347 2.335 179 HG13 VAL 31 HG13 VAL 31 34.258 8.996 3.944 180 HG21 VAL 31 HG21 VAL 31 31.857 9.980 3.827 181 HG22 VAL 31 HG22 VAL 31 31.326 8.547 4.707 182 HG23 VAL 31 HG23 VAL 31 30.577 8.963 3.164 183 H VAL 32 HN VAL 32 33.051 5.503 1.607 184 HA VAL 32 HA VAL 32 35.544 5.944 0.373 185 HB VAL 32 HB VAL 32 33.884 3.559 1.056 186 HG11 VAL 32 HG11 VAL 32 36.331 3.487 -0.736 187 HG12 VAL 32 HG12 VAL 32 34.693 3.021 -1.196 188 HG13 VAL 32 HG13 VAL 32 35.574 2.075 0.004 189 HG21 VAL 32 HG21 VAL 32 36.368 3.052 1.923 190 HG22 VAL 32 HG22 VAL 32 35.258 4.082 2.827 191 HG23 VAL 32 HG23 VAL 32 36.491 4.807 1.794 192 H VAL 33 HN VAL 33 32.523 4.588 -0.938 193 HA VAL 33 HA VAL 33 33.349 4.064 -3.521 194 HB VAL 33 HB VAL 33 31.171 3.361 -3.043 195 HG11 VAL 33 HG11 VAL 33 29.908 5.945 -2.478 196 HG12 VAL 33 HG12 VAL 33 31.120 5.491 -1.287 197 HG13 VAL 33 HG13 VAL 33 29.768 4.415 -1.613 198 HG21 VAL 33 HG21 VAL 33 31.431 4.541 -5.275 199 HG22 VAL 33 HG22 VAL 33 30.666 5.942 -4.525 200 HG23 VAL 33 HG23 VAL 33 29.775 4.427 -4.675 201 H DAL 34 HN DAL 34 31.485 6.960 -2.663 202 HA DAL 34 HA DAL 34 31.967 9.176 -3.177 203 HB1 DAL 34 HB2 DAL 34 31.791 7.980 -5.927 204 HB2 DAL 34 HB3 DAL 34 30.413 8.327 -4.895 205 H LEU 35 HN LEU 35 34.239 8.742 -2.278 206 HA LEU 35 HA LEU 35 36.068 10.185 -3.823 207 HB2 LEU 35 HB2 LEU 35 36.164 9.989 -1.357 208 HB3 LEU 35 HB1 LEU 35 36.645 8.300 -1.523 209 HG LEU 35 HG LEU 35 38.655 8.969 -2.756 210 HD11 LEU 35 HD11 LEU 35 38.581 10.932 -3.862 211 HD12 LEU 35 HD12 LEU 35 38.737 11.755 -2.309 212 HD13 LEU 35 HD13 LEU 35 37.137 11.417 -2.972 213 HD21 LEU 35 HD21 LEU 35 39.812 10.191 -0.921 214 HD22 LEU 35 HD22 LEU 35 38.805 8.883 -0.298 215 HD23 LEU 35 HD23 LEU 35 38.246 10.553 -0.194 216 H LYS 36 HN LYS 36 35.689 6.702 -3.338 217 HA LYS 36 HA LYS 36 38.005 5.874 -4.708 218 HB2 LYS 36 HB2 LYS 36 35.358 4.534 -4.182 219 HB3 LYS 36 HB1 LYS 36 36.665 3.726 -5.046 220 HG2 LYS 36 HG2 LYS 36 37.001 4.977 -2.307 221 HG3 LYS 36 HG1 LYS 36 36.624 3.272 -2.560 222 HD2 LYS 36 HD2 LYS 36 38.674 3.033 -3.924 223 HD3 LYS 36 HD1 LYS 36 39.054 4.731 -3.633 224 HE2 LYS 36 HE2 LYS 36 39.194 4.318 -1.224 225 HE3 LYS 36 HE1 LYS 36 38.739 2.631 -1.469 226 HZ1 LYS 36 HZ1 LYS 36 41.270 3.565 -1.421 227 HZ2 LYS 36 HZ2 LYS 36 40.957 3.490 -3.089 228 HZ3 LYS 36 HZ3 LYS 36 40.789 2.100 -2.126 229 H HIS 37 HN HIS 37 34.730 6.606 -5.854 230 HA HIS 37 HA HIS 37 35.738 6.280 -8.618 231 HB2 HIS 37 HB2 HIS 37 32.957 5.870 -7.508 232 HB3 HIS 37 HB1 HIS 37 33.331 5.909 -9.233 233 HD2 HIS 37 HD2 HIS 37 33.639 3.471 -6.210 234 HE1 HIS 37 HE1 HIS 37 35.413 1.585 -9.545 235 HE2 HIS 37 HE2 HIS 37 34.634 1.248 -7.152 236 H CYS 38 HN CYS 38 33.182 8.038 -6.826 237 HA CYS 38 HA CYS 38 33.335 10.203 -8.779 238 HB2 CYS 38 HB2 CYS 38 31.253 10.854 -8.016 239 HB3 CYS 38 HB1 CYS 38 31.188 9.116 -7.726 Start of MODEL 11 1 H1 ABA 1 HT1 ABU 1 8.510 -15.962 -8.177 2 H2 ABA 1 HT2 ABU 1 9.910 -16.116 -9.127 3 H3 ABA 1 HT3 ABU 1 8.746 -14.939 -9.510 4 HA ABA 1 HA ABU 1 9.205 -13.992 -7.203 5 HB2 ABA 1 HB2 ABU 1 11.950 -15.070 -7.486 6 HG1 ABA 1 HG1 ABU 1 11.353 -17.158 -6.257 7 HG3 ABA 1 HG3 ABU 1 9.647 -16.785 -6.500 8 HG2 ABA 1 HG2 ABU 1 10.682 -17.125 -7.888 9 H DBU 2 HN DHB 2 11.860 -14.759 -9.480 10 HB DBU 2 HB DHB 2 13.429 -12.417 -12.077 11 HG1 DBU 2 HG1 DHB 2 13.567 -15.256 -11.528 12 HG2 DBU 2 HG2 DHB 2 13.535 -14.520 -13.131 13 HG3 DBU 2 HG3 DHB 2 12.025 -14.979 -12.339 14 HA PRO 3 HA PRO 3 12.587 -8.730 -10.095 15 HB2 PRO 3 HB2 PRO 3 9.724 -8.540 -10.910 16 HB3 PRO 3 HB1 PRO 3 11.097 -7.553 -11.412 17 HG2 PRO 3 HG2 PRO 3 10.079 -9.337 -13.043 18 HG3 PRO 3 HG1 PRO 3 11.840 -9.133 -12.923 19 HD2 PRO 3 HD2 PRO 3 10.109 -11.265 -11.735 20 HD3 PRO 3 HD1 PRO 3 11.715 -11.407 -12.465 21 H VAL 4 HN VAL 4 9.590 -10.427 -9.210 22 HA VAL 4 HA VAL 4 8.843 -8.734 -7.073 23 HB VAL 4 HB VAL 4 8.222 -11.640 -7.638 24 HG11 VAL 4 HG11 VAL 4 7.524 -9.852 -5.359 25 HG12 VAL 4 HG12 VAL 4 7.688 -11.607 -5.401 26 HG13 VAL 4 HG13 VAL 4 6.224 -10.843 -6.019 27 HG21 VAL 4 HG21 VAL 4 6.476 -9.174 -7.865 28 HG22 VAL 4 HG22 VAL 4 6.140 -10.789 -8.487 29 HG23 VAL 4 HG23 VAL 4 7.415 -9.811 -9.215 30 H CYS 5 HN CYS 5 10.697 -11.766 -7.151 31 HA CYS 5 HA CYS 5 11.114 -11.940 -4.356 32 HB2 CYS 5 HB2 CYS 5 12.455 -13.141 -6.762 33 HB3 CYS 5 HB1 CYS 5 13.148 -13.363 -5.152 34 H ALA 6 HN ALA 6 12.932 -10.405 -6.968 35 HA ALA 6 HA ALA 6 15.244 -9.747 -5.492 36 HB1 ALA 6 HB1 ALA 6 15.786 -9.207 -7.603 37 HB2 ALA 6 HB2 ALA 6 14.911 -7.699 -7.348 38 HB3 ALA 6 HB3 ALA 6 14.093 -9.080 -8.079 39 H VAL 7 HN VAL 7 12.167 -8.049 -5.943 40 HA VAL 7 HA VAL 7 12.902 -5.635 -4.690 41 HB VAL 7 HB VAL 7 10.239 -7.010 -5.063 42 HG11 VAL 7 HG11 VAL 7 9.640 -4.398 -4.625 43 HG12 VAL 7 HG12 VAL 7 11.003 -4.600 -3.525 44 HG13 VAL 7 HG13 VAL 7 9.584 -5.635 -3.369 45 HG21 VAL 7 HG21 VAL 7 11.288 -6.244 -7.124 46 HG22 VAL 7 HG22 VAL 7 11.634 -4.672 -6.403 47 HG23 VAL 7 HG23 VAL 7 9.966 -5.147 -6.723 48 H ALA 8 HN ALA 8 11.383 -8.593 -3.431 49 HA ALA 8 HA ALA 8 11.061 -7.679 -0.771 50 HB1 ALA 8 HB1 ALA 8 9.794 -9.569 -1.236 51 HB2 ALA 8 HB2 ALA 8 11.140 -10.265 -0.331 52 HB3 ALA 8 HB3 ALA 8 11.113 -10.368 -2.092 53 H ALA 9 HN ALA 9 13.702 -9.328 -2.442 54 HA ALA 9 HA ALA 9 15.283 -9.894 -0.167 55 HB1 ALA 9 HB1 ALA 9 16.312 -11.002 -1.830 56 HB2 ALA 9 HB2 ALA 9 17.070 -9.467 -2.254 57 HB3 ALA 9 HB3 ALA 9 15.587 -9.972 -3.063 58 H DBU 10 HN DHB 10 15.033 -7.051 -2.262 59 HB DBU 10 HB DHB 10 17.327 -3.899 -1.789 60 HG1 DBU 10 HG1 DHB 10 18.547 -5.603 -3.396 61 HG2 DBU 10 HG2 DHB 10 17.403 -4.509 -4.176 62 HG3 DBU 10 HG3 DHB 10 16.928 -6.167 -3.809 63 H ALA 11 HN ALA 11 13.834 -5.575 -0.374 64 HA ALA 11 HA ALA 11 14.068 -3.643 1.648 65 HB1 ALA 11 HB1 ALA 11 12.126 -5.879 1.996 66 HB2 ALA 11 HB2 ALA 11 11.974 -4.876 0.554 67 HB3 ALA 11 HB3 ALA 11 11.880 -4.140 2.154 68 H ALA 12 HN ALA 12 14.239 -7.194 1.826 69 HA ALA 12 HA ALA 12 14.810 -7.182 4.652 70 HB1 ALA 12 HB1 ALA 12 15.564 -9.603 3.204 71 HB2 ALA 12 HB2 ALA 12 13.918 -9.080 2.843 72 HB3 ALA 12 HB3 ALA 12 14.399 -9.391 4.510 73 H ALA 13 HN ALA 13 16.636 -6.853 1.759 74 HA ALA 13 HA ALA 13 19.130 -7.880 2.624 75 HB1 ALA 13 HB1 ALA 13 18.957 -7.511 0.312 76 HB2 ALA 13 HB2 ALA 13 20.006 -6.202 0.855 77 HB3 ALA 13 HB3 ALA 13 18.302 -5.888 0.527 78 H ALA 14 HN ALA 14 17.592 -4.716 2.931 79 HA ALA 14 HA ALA 14 19.827 -3.310 3.929 80 HB2 ALA 14 HB2 ALA 14 17.282 -2.614 3.247 81 HB3 ALA 14 HB3 ALA 14 17.200 -2.524 5.007 82 H DHA 15 HN DHA 15 17.405 -5.352 5.504 83 HB1 DHA 15 HB1 DHA 15 16.063 -6.170 7.745 84 HB2 DHA 15 HB2 DHA 15 17.195 -6.391 9.199 85 H ALA 16 HN ALA 16 20.239 -6.498 6.610 86 HA ALA 16 HA ALA 16 21.827 -5.749 8.946 87 HB1 ALA 16 HB1 ALA 16 23.522 -6.970 7.113 88 HB2 ALA 16 HB2 ALA 16 21.977 -7.784 6.869 89 HB3 ALA 16 HB3 ALA 16 22.716 -7.756 8.471 90 H ALA 17 HN ALA 17 21.956 -5.303 5.399 91 HA ALA 17 HA ALA 17 24.208 -3.617 5.353 92 HB1 ALA 17 HB1 ALA 17 23.184 -2.827 3.142 93 HB2 ALA 17 HB2 ALA 17 21.872 -3.956 3.478 94 HB3 ALA 17 HB3 ALA 17 23.523 -4.550 3.291 95 H CYS 18 HN CYS 18 20.744 -2.786 5.366 96 HA CYS 18 HA CYS 18 21.080 0.013 5.397 97 HB2 CYS 18 HB2 CYS 18 18.833 -1.765 6.364 98 HB3 CYS 18 HB1 CYS 18 18.732 -0.007 6.327 99 H GLY 19 HN GLY 19 20.806 -2.382 7.989 100 HA2 GLY 19 HA2 GLY 19 20.748 -0.525 10.142 101 HA3 GLY 19 HA1 GLY 19 21.164 -2.232 10.264 102 H TRP 20 HN TRP 20 23.359 -2.252 8.488 103 HA TRP 20 HA TRP 20 25.469 -1.502 10.203 104 HB2 TRP 20 HB2 TRP 20 25.354 -2.335 7.312 105 HB3 TRP 20 HB1 TRP 20 26.876 -1.900 8.087 106 HD1 TRP 20 HD1 TRP 20 24.053 -3.710 9.920 107 HE1 TRP 20 HE1 TRP 20 24.902 -6.056 10.609 108 HE3 TRP 20 HE3 TRP 20 28.589 -3.802 7.550 109 HZ2 TRP 20 HZ2 TRP 20 27.131 -7.720 10.233 110 HZ3 TRP 20 HZ3 TRP 20 30.049 -5.802 7.745 111 HH2 TRP 20 HH2 TRP 20 29.303 -7.751 9.091 112 H VAL 21 HN VAL 21 23.992 0.093 7.437 113 HA VAL 21 HA VAL 21 25.701 2.010 6.664 114 HB VAL 21 HB VAL 21 23.879 3.449 6.202 115 HG11 VAL 21 HG11 VAL 21 22.276 1.951 5.181 116 HG12 VAL 21 HG12 VAL 21 22.707 0.657 6.298 117 HG13 VAL 21 HG13 VAL 21 23.864 1.192 5.079 118 HG21 VAL 21 HG21 VAL 21 21.610 2.857 7.369 119 HG22 VAL 21 HG22 VAL 21 22.804 3.809 8.253 120 HG23 VAL 21 HG23 VAL 21 22.638 2.083 8.575 121 H GLY 22 HN GLY 22 24.377 1.690 9.851 122 HA2 GLY 22 HA2 GLY 22 24.734 4.289 10.840 123 HA3 GLY 22 HA1 GLY 22 24.797 2.821 11.811 124 H GLY 23 HN GLY 23 27.030 2.370 9.463 125 HA2 GLY 23 HA2 GLY 23 29.195 3.964 10.550 126 HA3 GLY 23 HA1 GLY 23 29.288 2.248 10.940 127 H GLY 24 HN GLY 24 28.107 1.320 8.484 128 HA2 GLY 24 HA2 GLY 24 30.423 1.098 6.875 129 HA3 GLY 24 HA1 GLY 24 28.800 0.594 6.414 130 H ILE 25 HN ILE 25 27.561 3.165 6.677 131 HA ILE 25 HA ILE 25 28.064 4.219 4.095 132 HB ILE 25 HB ILE 25 25.961 4.348 5.714 133 HG12 ILE 25 HG12 ILE 25 26.173 5.068 3.299 134 HG13 ILE 25 HG11 ILE 25 25.063 6.052 4.258 135 HG21 ILE 25 HG21 ILE 25 25.763 6.669 6.620 136 HG22 ILE 25 HG22 ILE 25 27.459 6.936 6.218 137 HG23 ILE 25 HG23 ILE 25 27.019 5.727 7.424 138 HD11 ILE 25 HD11 ILE 25 27.352 6.919 2.805 139 HD12 ILE 25 HD12 ILE 25 27.702 7.140 4.520 140 HD13 ILE 25 HD13 ILE 25 26.274 7.890 3.807 141 H PHE 26 HN PHE 26 28.951 5.303 7.343 142 HA PHE 26 HA PHE 26 30.142 7.755 6.626 143 HB2 PHE 26 HB2 PHE 26 29.594 7.181 8.947 144 HB3 PHE 26 HB1 PHE 26 30.810 5.903 8.930 145 HD1 PHE 26 HD1 PHE 26 30.335 9.585 8.568 146 HD2 PHE 26 HD2 PHE 26 33.102 6.384 9.314 147 HE1 PHE 26 HE1 PHE 26 32.085 11.237 9.168 148 HE2 PHE 26 HE2 PHE 26 34.850 8.036 9.915 149 HZ PHE 26 HZ PHE 26 34.343 10.462 9.841 150 H THR 27 HN THR 27 31.521 4.495 6.966 151 HA THR 27 HA THR 27 34.206 5.185 6.474 152 HB THR 27 HB THR 27 32.734 2.609 5.860 153 HG1 THR 27 HG1 THR 27 32.815 2.392 7.926 154 HG21 THR 27 HG21 THR 27 35.702 3.083 6.233 155 HG22 THR 27 HG22 THR 27 34.924 2.915 4.659 156 HG23 THR 27 HG23 THR 27 34.915 1.566 5.795 157 H GLY 28 HN GLY 28 31.627 4.138 4.251 158 HA2 GLY 28 HA2 GLY 28 33.226 4.227 1.904 159 HA3 GLY 28 HA1 GLY 28 31.465 4.260 1.953 160 H VAL 29 HN VAL 29 31.075 6.581 3.462 161 HA VAL 29 HA VAL 29 31.264 8.582 1.480 162 HB VAL 29 HB VAL 29 30.555 8.610 4.408 163 HG11 VAL 29 HG11 VAL 29 31.468 10.816 2.840 164 HG12 VAL 29 HG12 VAL 29 30.812 10.836 4.478 165 HG13 VAL 29 HG13 VAL 29 29.733 11.003 3.091 166 HG21 VAL 29 HG21 VAL 29 28.881 9.308 1.990 167 HG22 VAL 29 HG22 VAL 29 28.330 8.863 3.605 168 HG23 VAL 29 HG23 VAL 29 29.051 7.645 2.552 169 H DBU 30 HN DHB 30 33.102 8.014 4.482 170 HB DBU 30 HB DHB 30 36.062 10.458 5.432 171 HG1 DBU 30 HG1 DHB 30 34.505 11.382 6.923 172 HG2 DBU 30 HG2 DHB 30 33.513 9.934 6.749 173 HG3 DBU 30 HG3 DHB 30 33.289 11.295 5.648 174 H VAL 31 HN VAL 31 35.060 6.857 3.467 175 HA VAL 31 HA VAL 31 37.765 6.936 2.669 176 HB VAL 31 HB VAL 31 35.483 5.054 2.101 177 HG11 VAL 31 HG11 VAL 31 37.579 3.613 1.313 178 HG12 VAL 31 HG12 VAL 31 38.216 5.205 0.900 179 HG13 VAL 31 HG13 VAL 31 36.707 4.646 0.181 180 HG21 VAL 31 HG21 VAL 31 36.586 3.645 3.658 181 HG22 VAL 31 HG22 VAL 31 36.710 5.255 4.368 182 HG23 VAL 31 HG23 VAL 31 38.095 4.552 3.533 183 H VAL 32 HN VAL 32 34.737 7.203 0.821 184 HA VAL 32 HA VAL 32 35.920 7.369 -1.731 185 HB VAL 32 HB VAL 32 33.274 8.246 -0.603 186 HG11 VAL 32 HG11 VAL 32 32.989 9.632 -2.351 187 HG12 VAL 32 HG12 VAL 32 33.178 8.248 -3.426 188 HG13 VAL 32 HG13 VAL 32 34.581 9.218 -2.982 189 HG21 VAL 32 HG21 VAL 32 32.537 6.460 -2.242 190 HG22 VAL 32 HG22 VAL 32 33.532 5.868 -0.912 191 HG23 VAL 32 HG23 VAL 32 34.244 6.102 -2.510 192 H VAL 33 HN VAL 33 34.930 9.885 0.573 193 HA VAL 33 HA VAL 33 35.589 12.089 -1.060 194 HB VAL 33 HB VAL 33 35.636 13.355 1.076 195 HG11 VAL 33 HG11 VAL 33 33.479 11.736 0.026 196 HG12 VAL 33 HG12 VAL 33 33.412 13.364 0.701 197 HG13 VAL 33 HG13 VAL 33 33.286 11.963 1.765 198 HG21 VAL 33 HG21 VAL 33 35.223 10.621 2.320 199 HG22 VAL 33 HG22 VAL 33 35.218 12.162 3.178 200 HG23 VAL 33 HG23 VAL 33 36.704 11.570 2.437 201 H DAL 34 HN DAL 34 37.441 10.268 1.348 202 HA DAL 34 HA DAL 34 39.706 10.089 1.680 203 HB1 DAL 34 HB2 DAL 34 39.984 12.918 0.824 204 HB2 DAL 34 HB3 DAL 34 39.162 12.531 2.322 205 H LEU 35 HN LEU 35 39.061 8.959 -0.604 206 HA LEU 35 HA LEU 35 41.392 9.032 -2.153 207 HB2 LEU 35 HB2 LEU 35 39.894 7.077 -2.013 208 HB3 LEU 35 HB1 LEU 35 38.640 7.975 -2.868 209 HG LEU 35 HG LEU 35 40.094 8.192 -4.824 210 HD11 LEU 35 HD11 LEU 35 42.322 8.100 -4.487 211 HD12 LEU 35 HD12 LEU 35 42.169 6.363 -4.210 212 HD13 LEU 35 HD13 LEU 35 42.071 7.486 -2.851 213 HD21 LEU 35 HD21 LEU 35 38.836 6.230 -5.045 214 HD22 LEU 35 HD22 LEU 35 39.602 5.465 -3.652 215 HD23 LEU 35 HD23 LEU 35 40.479 5.603 -5.176 216 H LYS 36 HN LYS 36 38.195 10.481 -2.644 217 HA LYS 36 HA LYS 36 38.666 11.509 -5.224 218 HB2 LYS 36 HB2 LYS 36 36.808 12.360 -3.022 219 HB3 LYS 36 HB1 LYS 36 36.850 13.157 -4.596 220 HG2 LYS 36 HG2 LYS 36 36.451 10.971 -5.696 221 HG3 LYS 36 HG1 LYS 36 36.352 10.209 -4.106 222 HD2 LYS 36 HD2 LYS 36 34.449 11.596 -3.514 223 HD3 LYS 36 HD1 LYS 36 34.582 12.470 -5.039 224 HE2 LYS 36 HE2 LYS 36 34.094 10.428 -6.291 225 HE3 LYS 36 HE1 LYS 36 34.038 9.497 -4.797 226 HZ1 LYS 36 HZ1 LYS 36 32.261 11.799 -5.392 227 HZ2 LYS 36 HZ2 LYS 36 32.151 10.738 -4.069 228 HZ3 LYS 36 HZ3 LYS 36 31.829 10.179 -5.641 229 H HIS 37 HN HIS 37 39.280 12.827 -1.996 230 HA HIS 37 HA HIS 37 40.768 15.035 -3.293 231 HB2 HIS 37 HB2 HIS 37 39.398 15.087 -0.595 232 HB3 HIS 37 HB1 HIS 37 40.222 16.435 -1.385 233 HD2 HIS 37 HD2 HIS 37 36.850 14.435 -1.705 234 HE1 HIS 37 HE1 HIS 37 36.694 17.710 -4.364 235 HE2 HIS 37 HE2 HIS 37 35.354 15.809 -3.346 236 H CYS 38 HN CYS 38 40.674 14.114 0.104 237 HA CYS 38 HA CYS 38 43.461 14.305 0.456 238 HB2 CYS 38 HB2 CYS 38 43.053 13.760 2.669 239 HB3 CYS 38 HB1 CYS 38 41.463 14.344 2.174 Start of MODEL 12 1 H1 ABA 1 HT1 ABU 1 6.082 -16.852 -4.581 2 H2 ABA 1 HT2 ABU 1 6.901 -17.151 -6.039 3 H3 ABA 1 HT3 ABU 1 5.310 -16.558 -6.062 4 HA ABA 1 HA ABU 1 5.940 -14.449 -5.795 5 HB2 ABA 1 HB2 ABU 1 6.982 -15.593 -3.479 6 HG1 ABA 1 HG1 ABU 1 5.730 -13.329 -4.193 7 HG3 ABA 1 HG3 ABU 1 6.512 -13.520 -2.625 8 HG2 ABA 1 HG2 ABU 1 7.346 -12.675 -3.929 9 H DBU 2 HN DHB 2 8.551 -16.821 -6.108 10 HB DBU 2 HB DHB 2 11.062 -16.940 -9.026 11 HG1 DBU 2 HG1 DHB 2 9.029 -18.607 -9.325 12 HG2 DBU 2 HG2 DHB 2 8.883 -18.553 -7.567 13 HG3 DBU 2 HG3 DHB 2 10.335 -19.226 -8.312 14 HA PRO 3 HA PRO 3 12.187 -12.779 -8.680 15 HB2 PRO 3 HB2 PRO 3 9.981 -11.776 -10.426 16 HB3 PRO 3 HB1 PRO 3 11.720 -11.836 -10.740 17 HG2 PRO 3 HG2 PRO 3 10.137 -13.543 -11.921 18 HG3 PRO 3 HG1 PRO 3 11.674 -14.105 -11.229 19 HD2 PRO 3 HD2 PRO 3 8.909 -14.337 -10.087 20 HD3 PRO 3 HD1 PRO 3 10.192 -15.559 -10.160 21 H VAL 4 HN VAL 4 8.706 -12.546 -8.138 22 HA VAL 4 HA VAL 4 8.582 -9.877 -7.264 23 HB VAL 4 HB VAL 4 6.875 -12.276 -6.588 24 HG11 VAL 4 HG11 VAL 4 5.260 -10.188 -6.095 25 HG12 VAL 4 HG12 VAL 4 6.798 -9.443 -5.656 26 HG13 VAL 4 HG13 VAL 4 6.263 -10.912 -4.837 27 HG21 VAL 4 HG21 VAL 4 5.622 -11.706 -8.419 28 HG22 VAL 4 HG22 VAL 4 7.142 -10.994 -8.962 29 HG23 VAL 4 HG23 VAL 4 5.912 -9.979 -8.209 30 H CYS 5 HN CYS 5 8.976 -12.890 -5.382 31 HA CYS 5 HA CYS 5 9.263 -11.423 -2.899 32 HB2 CYS 5 HB2 CYS 5 10.209 -13.890 -2.294 33 HB3 CYS 5 HB1 CYS 5 8.500 -13.476 -2.298 34 H ALA 6 HN ALA 6 11.441 -13.632 -4.623 35 HA ALA 6 HA ALA 6 13.781 -13.259 -3.316 36 HB1 ALA 6 HB1 ALA 6 13.179 -14.479 -5.614 37 HB2 ALA 6 HB2 ALA 6 14.844 -14.108 -5.163 38 HB3 ALA 6 HB3 ALA 6 13.976 -13.054 -6.280 39 H VAL 7 HN VAL 7 12.538 -11.095 -5.860 40 HA VAL 7 HA VAL 7 14.666 -9.247 -5.748 41 HB VAL 7 HB VAL 7 11.799 -9.006 -6.659 42 HG11 VAL 7 HG11 VAL 7 14.029 -6.996 -6.555 43 HG12 VAL 7 HG12 VAL 7 12.331 -6.787 -6.134 44 HG13 VAL 7 HG13 VAL 7 12.811 -6.914 -7.826 45 HG21 VAL 7 HG21 VAL 7 14.484 -9.357 -8.013 46 HG22 VAL 7 HG22 VAL 7 13.040 -8.857 -8.893 47 HG23 VAL 7 HG23 VAL 7 13.086 -10.429 -8.094 48 H ALA 8 HN ALA 8 11.492 -9.328 -4.139 49 HA ALA 8 HA ALA 8 11.733 -6.849 -2.806 50 HB1 ALA 8 HB1 ALA 8 9.591 -8.028 -3.029 51 HB2 ALA 8 HB2 ALA 8 9.951 -7.703 -1.333 52 HB3 ALA 8 HB3 ALA 8 10.188 -9.322 -1.991 53 H ALA 9 HN ALA 9 12.739 -10.124 -1.936 54 HA ALA 9 HA ALA 9 13.457 -9.589 0.746 55 HB1 ALA 9 HB1 ALA 9 13.578 -11.793 -1.048 56 HB2 ALA 9 HB2 ALA 9 13.797 -11.800 0.702 57 HB3 ALA 9 HB3 ALA 9 15.187 -11.576 -0.361 58 H DBU 10 HN DHB 10 15.225 -9.304 -2.310 59 HB DBU 10 HB DHB 10 18.983 -8.195 -2.470 60 HG1 DBU 10 HG1 DHB 10 19.016 -10.238 -3.703 61 HG2 DBU 10 HG2 DHB 10 17.317 -10.550 -3.349 62 HG3 DBU 10 HG3 DHB 10 18.549 -10.906 -2.139 63 H ALA 11 HN ALA 11 15.512 -6.450 -2.580 64 HA ALA 11 HA ALA 11 16.889 -4.229 -1.507 65 HB1 ALA 11 HB1 ALA 11 14.090 -3.660 -1.816 66 HB2 ALA 11 HB2 ALA 11 14.635 -4.667 -3.159 67 HB3 ALA 11 HB3 ALA 11 15.441 -3.135 -2.820 68 H ALA 12 HN ALA 12 14.201 -6.178 -0.303 69 HA ALA 12 HA ALA 12 13.536 -4.550 1.913 70 HB1 ALA 12 HB1 ALA 12 12.376 -6.520 2.770 71 HB2 ALA 12 HB2 ALA 12 13.232 -7.548 1.619 72 HB3 ALA 12 HB3 ALA 12 12.075 -6.349 1.040 73 H ALA 13 HN ALA 13 15.871 -7.168 1.479 74 HA ALA 13 HA ALA 13 16.577 -7.521 4.185 75 HB1 ALA 13 HB1 ALA 13 18.646 -8.527 3.302 76 HB2 ALA 13 HB2 ALA 13 18.276 -7.879 1.703 77 HB3 ALA 13 HB3 ALA 13 17.230 -9.103 2.423 78 H ALA 14 HN ALA 14 17.889 -5.378 1.675 79 HA ALA 14 HA ALA 14 19.970 -4.288 3.261 80 HB2 ALA 14 HB2 ALA 14 19.318 -4.102 0.639 81 HB3 ALA 14 HB3 ALA 14 18.749 -2.535 1.216 82 H DHA 15 HN DHA 15 16.573 -3.413 2.803 83 HB1 DHA 15 HB1 DHA 15 14.613 -1.459 2.920 84 HB2 DHA 15 HB2 DHA 15 14.613 -0.591 4.558 85 H ALA 16 HN ALA 16 17.070 -3.660 5.847 86 HA ALA 16 HA ALA 16 17.631 -1.777 8.009 87 HB1 ALA 16 HB1 ALA 16 17.946 -4.783 8.036 88 HB2 ALA 16 HB2 ALA 16 16.422 -3.965 8.383 89 HB3 ALA 16 HB3 ALA 16 17.822 -3.700 9.423 90 H ALA 17 HN ALA 17 19.384 -4.445 6.382 91 HA ALA 17 HA ALA 17 21.903 -3.856 7.503 92 HB1 ALA 17 HB1 ALA 17 22.652 -5.069 5.259 93 HB2 ALA 17 HB2 ALA 17 20.932 -5.451 5.179 94 HB3 ALA 17 HB3 ALA 17 21.884 -5.957 6.574 95 H CYS 18 HN CYS 18 20.507 -2.940 4.360 96 HA CYS 18 HA CYS 18 22.734 -1.491 3.415 97 HB2 CYS 18 HB2 CYS 18 19.783 -1.273 2.790 98 HB3 CYS 18 HB1 CYS 18 21.040 -0.404 1.910 99 H GLY 19 HN GLY 19 19.888 -0.531 5.284 100 HA2 GLY 19 HA2 GLY 19 20.365 2.255 5.285 101 HA3 GLY 19 HA1 GLY 19 19.400 1.381 6.470 102 H TRP 20 HN TRP 20 21.414 -0.345 7.454 103 HA TRP 20 HA TRP 20 22.670 1.381 9.355 104 HB2 TRP 20 HB2 TRP 20 23.040 -1.569 8.787 105 HB3 TRP 20 HB1 TRP 20 23.738 -0.719 10.166 106 HD1 TRP 20 HD1 TRP 20 20.299 0.323 9.016 107 HE1 TRP 20 HE1 TRP 20 18.560 -0.416 10.781 108 HE3 TRP 20 HE3 TRP 20 23.211 -2.619 12.027 109 HZ2 TRP 20 HZ2 TRP 20 18.401 -1.991 13.096 110 HZ3 TRP 20 HZ3 TRP 20 22.213 -3.725 14.015 111 HH2 TRP 20 HH2 TRP 20 19.805 -3.399 14.532 112 H VAL 21 HN VAL 21 24.291 -1.086 7.385 113 HA VAL 21 HA VAL 21 26.620 -1.076 6.928 114 HB VAL 21 HB VAL 21 25.875 1.083 5.024 115 HG11 VAL 21 HG11 VAL 21 27.964 -0.075 4.694 116 HG12 VAL 21 HG12 VAL 21 26.847 -0.644 3.453 117 HG13 VAL 21 HG13 VAL 21 27.178 -1.645 4.867 118 HG21 VAL 21 HG21 VAL 21 24.367 -0.344 3.791 119 HG22 VAL 21 HG22 VAL 21 23.780 -0.273 5.452 120 HG23 VAL 21 HG23 VAL 21 24.664 -1.691 4.891 121 H GLY 22 HN GLY 22 26.441 0.460 9.187 122 HA2 GLY 22 HA2 GLY 22 27.495 3.108 8.770 123 HA3 GLY 22 HA1 GLY 22 27.324 2.279 10.315 124 H GLY 23 HN GLY 23 28.860 0.159 8.331 125 HA2 GLY 23 HA2 GLY 23 31.479 0.854 9.475 126 HA3 GLY 23 HA1 GLY 23 31.018 -0.716 8.825 127 H GLY 24 HN GLY 24 30.456 -0.657 6.406 128 HA2 GLY 24 HA2 GLY 24 32.742 0.182 4.968 129 HA3 GLY 24 HA1 GLY 24 31.245 -0.411 4.256 130 H ILE 25 HN ILE 25 29.513 1.580 5.340 131 HA ILE 25 HA ILE 25 29.786 3.603 3.376 132 HB ILE 25 HB ILE 25 27.699 2.711 4.741 133 HG12 ILE 25 HG12 ILE 25 27.655 4.278 2.822 134 HG13 ILE 25 HG11 ILE 25 26.502 4.752 4.072 135 HG21 ILE 25 HG21 ILE 25 28.531 5.182 6.291 136 HG22 ILE 25 HG22 ILE 25 28.570 3.534 6.918 137 HG23 ILE 25 HG23 ILE 25 27.029 4.282 6.500 138 HD11 ILE 25 HD11 ILE 25 29.063 6.060 3.261 139 HD12 ILE 25 HD12 ILE 25 28.596 6.147 4.959 140 HD13 ILE 25 HD13 ILE 25 27.525 6.792 3.715 141 H PHE 26 HN PHE 26 30.445 3.514 6.849 142 HA PHE 26 HA PHE 26 31.080 6.233 7.199 143 HB2 PHE 26 HB2 PHE 26 30.712 4.690 9.080 144 HB3 PHE 26 HB1 PHE 26 32.191 3.825 8.662 145 HD1 PHE 26 HD1 PHE 26 30.916 7.227 9.556 146 HD2 PHE 26 HD2 PHE 26 34.266 4.539 9.508 147 HE1 PHE 26 HE1 PHE 26 32.244 8.859 10.869 148 HE2 PHE 26 HE2 PHE 26 35.594 6.171 10.820 149 HZ PHE 26 HZ PHE 26 34.583 8.331 11.501 150 H THR 27 HN THR 27 33.144 3.446 6.404 151 HA THR 27 HA THR 27 35.573 4.913 6.295 152 HB THR 27 HB THR 27 36.417 2.925 5.060 153 HG1 THR 27 HG1 THR 27 34.607 1.207 5.169 154 HG21 THR 27 HG21 THR 27 35.172 2.975 7.688 155 HG22 THR 27 HG22 THR 27 36.698 2.246 7.190 156 HG23 THR 27 HG23 THR 27 35.191 1.347 7.009 157 H GLY 28 HN GLY 28 33.043 4.226 3.956 158 HA2 GLY 28 HA2 GLY 28 34.452 5.005 1.625 159 HA3 GLY 28 HA1 GLY 28 32.701 4.963 1.800 160 H VAL 29 HN VAL 29 32.299 6.819 3.815 161 HA VAL 29 HA VAL 29 32.385 9.255 2.392 162 HB VAL 29 HB VAL 29 30.910 8.393 4.439 163 HG11 VAL 29 HG11 VAL 29 32.990 10.172 5.746 164 HG12 VAL 29 HG12 VAL 29 32.834 8.436 6.015 165 HG13 VAL 29 HG13 VAL 29 31.540 9.524 6.514 166 HG21 VAL 29 HG21 VAL 29 30.119 10.281 3.355 167 HG22 VAL 29 HG22 VAL 29 31.654 11.137 3.505 168 HG23 VAL 29 HG23 VAL 29 30.587 10.985 4.902 169 H DBU 30 HN DHB 30 34.361 7.997 5.067 170 HB DBU 30 HB DHB 30 37.307 10.242 6.493 171 HG1 DBU 30 HG1 DHB 30 34.691 9.427 7.608 172 HG2 DBU 30 HG2 DHB 30 34.619 11.078 6.991 173 HG3 DBU 30 HG3 DHB 30 35.783 10.655 8.247 174 H VAL 31 HN VAL 31 36.179 7.225 3.666 175 HA VAL 31 HA VAL 31 38.896 7.450 2.897 176 HB VAL 31 HB VAL 31 36.568 5.807 1.928 177 HG11 VAL 31 HG11 VAL 31 38.075 6.370 0.007 178 HG12 VAL 31 HG12 VAL 31 38.085 4.655 0.413 179 HG13 VAL 31 HG13 VAL 31 39.424 5.687 0.914 180 HG21 VAL 31 HG21 VAL 31 38.030 5.479 4.115 181 HG22 VAL 31 HG22 VAL 31 39.188 4.790 2.978 182 HG23 VAL 31 HG23 VAL 31 37.577 4.089 3.130 183 H VAL 32 HN VAL 32 35.855 8.150 1.160 184 HA VAL 32 HA VAL 32 37.095 9.033 -1.235 185 HB VAL 32 HB VAL 32 34.927 9.851 -1.844 186 HG11 VAL 32 HG11 VAL 32 34.572 7.605 -1.999 187 HG12 VAL 32 HG12 VAL 32 33.521 7.869 -0.606 188 HG13 VAL 32 HG13 VAL 32 35.174 7.304 -0.368 189 HG21 VAL 32 HG21 VAL 32 33.126 9.919 -0.021 190 HG22 VAL 32 HG22 VAL 32 34.343 11.194 0.039 191 HG23 VAL 32 HG23 VAL 32 34.451 9.822 1.139 192 H VAL 33 HN VAL 33 35.800 10.820 1.565 193 HA VAL 33 HA VAL 33 36.211 13.404 0.714 194 HB VAL 33 HB VAL 33 35.207 13.228 2.820 195 HG11 VAL 33 HG11 VAL 33 35.749 11.714 4.450 196 HG12 VAL 33 HG12 VAL 33 37.482 11.919 4.203 197 HG13 VAL 33 HG13 VAL 33 36.548 10.903 3.108 198 HG21 VAL 33 HG21 VAL 33 37.122 14.959 2.569 199 HG22 VAL 33 HG22 VAL 33 38.024 13.889 3.643 200 HG23 VAL 33 HG23 VAL 33 36.521 14.628 4.196 201 H DAL 34 HN DAL 34 38.540 11.731 2.839 202 HA DAL 34 HA DAL 34 40.863 11.614 2.623 203 HB1 DAL 34 HB2 DAL 34 40.397 14.558 2.372 204 HB2 DAL 34 HB3 DAL 34 40.434 13.671 3.890 205 H LEU 35 HN LEU 35 39.719 10.932 0.274 206 HA LEU 35 HA LEU 35 41.749 11.389 -1.621 207 HB2 LEU 35 HB2 LEU 35 39.030 10.152 -1.620 208 HB3 LEU 35 HB1 LEU 35 39.770 10.514 -3.176 209 HG LEU 35 HG LEU 35 40.364 8.247 -2.536 210 HD11 LEU 35 HD11 LEU 35 42.815 9.882 -1.913 211 HD12 LEU 35 HD12 LEU 35 42.088 9.933 -3.518 212 HD13 LEU 35 HD13 LEU 35 42.689 8.406 -2.870 213 HD21 LEU 35 HD21 LEU 35 40.454 7.791 -0.322 214 HD22 LEU 35 HD22 LEU 35 40.663 9.490 0.090 215 HD23 LEU 35 HD23 LEU 35 42.063 8.510 -0.335 216 H LYS 36 HN LYS 36 38.527 12.790 -1.182 217 HA LYS 36 HA LYS 36 38.552 14.412 -3.501 218 HB2 LYS 36 HB2 LYS 36 37.051 14.732 -0.894 219 HB3 LYS 36 HB1 LYS 36 36.738 15.669 -2.355 220 HG2 LYS 36 HG2 LYS 36 36.587 12.644 -2.183 221 HG3 LYS 36 HG1 LYS 36 35.196 13.726 -2.131 222 HD2 LYS 36 HD2 LYS 36 35.781 14.597 -4.361 223 HD3 LYS 36 HD1 LYS 36 37.175 13.517 -4.418 224 HE2 LYS 36 HE2 LYS 36 35.683 11.566 -4.250 225 HE3 LYS 36 HE1 LYS 36 34.283 12.636 -4.173 226 HZ1 LYS 36 HZ1 LYS 36 36.087 12.107 -6.442 227 HZ2 LYS 36 HZ2 LYS 36 35.218 13.565 -6.364 228 HZ3 LYS 36 HZ3 LYS 36 34.392 12.080 -6.396 229 H HIS 37 HN HIS 37 39.464 15.051 -0.107 230 HA HIS 37 HA HIS 37 41.582 16.723 -0.591 231 HB2 HIS 37 HB2 HIS 37 40.193 18.959 -0.055 232 HB3 HIS 37 HB1 HIS 37 40.595 18.446 -1.696 233 HD2 HIS 37 HD2 HIS 37 37.725 16.531 0.160 234 HE1 HIS 37 HE1 HIS 37 35.947 19.003 -2.764 235 HE2 HIS 37 HE2 HIS 37 35.512 17.157 -1.077 236 H CYS 38 HN CYS 38 42.083 15.638 1.433 237 HA CYS 38 HA CYS 38 40.649 15.925 3.811 238 HB2 CYS 38 HB2 CYS 38 43.659 15.863 3.654 239 HB3 CYS 38 HB1 CYS 38 42.612 15.181 4.902 Start of MODEL 13 1 H1 ABA 1 HT1 ABU 1 15.271 -12.128 -11.589 2 H2 ABA 1 HT2 ABU 1 13.718 -11.439 -11.587 3 H3 ABA 1 HT3 ABU 1 14.047 -12.804 -10.630 4 HA ABA 1 HA ABU 1 14.105 -11.115 -9.082 5 HB2 ABA 1 HB2 ABU 1 16.965 -10.778 -9.741 6 HG1 ABA 1 HG1 ABU 1 16.876 -12.887 -10.792 7 HG3 ABA 1 HG3 ABU 1 17.288 -13.289 -9.124 8 HG2 ABA 1 HG2 ABU 1 15.630 -13.482 -9.695 9 H DBU 2 HN DHB 2 16.222 -10.063 -11.778 10 HB DBU 2 HB DHB 2 16.039 -6.619 -13.512 11 HG1 DBU 2 HG1 DHB 2 15.493 -9.553 -14.141 12 HG2 DBU 2 HG2 DHB 2 16.992 -8.825 -14.716 13 HG3 DBU 2 HG3 DHB 2 15.439 -8.195 -15.266 14 HA PRO 3 HA PRO 3 15.866 -4.382 -9.874 15 HB2 PRO 3 HB2 PRO 3 13.245 -3.536 -9.909 16 HB3 PRO 3 HB1 PRO 3 14.434 -3.115 -11.135 17 HG2 PRO 3 HG2 PRO 3 12.316 -5.185 -11.158 18 HG3 PRO 3 HG1 PRO 3 12.843 -4.083 -12.446 19 HD2 PRO 3 HD2 PRO 3 13.617 -6.627 -12.391 20 HD3 PRO 3 HD1 PRO 3 14.699 -5.352 -12.961 21 H VAL 4 HN VAL 4 13.368 -6.836 -9.531 22 HA VAL 4 HA VAL 4 12.535 -6.219 -6.899 23 HB VAL 4 HB VAL 4 12.535 -8.818 -8.445 24 HG11 VAL 4 HG11 VAL 4 12.540 -9.066 -5.909 25 HG12 VAL 4 HG12 VAL 4 11.137 -9.744 -6.733 26 HG13 VAL 4 HG13 VAL 4 11.010 -8.191 -5.907 27 HG21 VAL 4 HG21 VAL 4 9.947 -7.790 -7.873 28 HG22 VAL 4 HG22 VAL 4 10.739 -7.895 -9.446 29 HG23 VAL 4 HG23 VAL 4 10.914 -6.439 -8.465 30 H CYS 5 HN CYS 5 15.019 -8.431 -8.151 31 HA CYS 5 HA CYS 5 15.832 -9.454 -5.642 32 HB2 CYS 5 HB2 CYS 5 17.109 -9.295 -8.358 33 HB3 CYS 5 HB1 CYS 5 18.024 -9.895 -6.971 34 H ALA 6 HN ALA 6 16.978 -6.718 -7.592 35 HA ALA 6 HA ALA 6 19.161 -6.019 -5.931 36 HB1 ALA 6 HB1 ALA 6 19.130 -3.885 -7.105 37 HB2 ALA 6 HB2 ALA 6 17.502 -4.208 -7.701 38 HB3 ALA 6 HB3 ALA 6 18.856 -5.193 -8.255 39 H VAL 7 HN VAL 7 15.756 -5.044 -5.944 40 HA VAL 7 HA VAL 7 15.951 -3.037 -3.971 41 HB VAL 7 HB VAL 7 13.664 -4.790 -4.877 42 HG11 VAL 7 HG11 VAL 7 12.196 -3.319 -3.617 43 HG12 VAL 7 HG12 VAL 7 13.571 -2.354 -3.081 44 HG13 VAL 7 HG13 VAL 7 13.386 -4.014 -2.517 45 HG21 VAL 7 HG21 VAL 7 13.414 -1.957 -5.347 46 HG22 VAL 7 HG22 VAL 7 13.476 -3.266 -6.527 47 HG23 VAL 7 HG23 VAL 7 14.969 -2.515 -5.964 48 H ALA 8 HN ALA 8 15.189 -6.504 -3.774 49 HA ALA 8 HA ALA 8 14.719 -6.573 -0.985 50 HB1 ALA 8 HB1 ALA 8 15.868 -9.032 -2.009 51 HB2 ALA 8 HB2 ALA 8 14.633 -8.399 -3.098 52 HB3 ALA 8 HB3 ALA 8 14.238 -8.723 -1.411 53 H ALA 9 HN ALA 9 17.640 -6.935 -2.934 54 HA ALA 9 HA ALA 9 19.362 -7.810 -0.870 55 HB1 ALA 9 HB1 ALA 9 19.840 -7.867 -3.349 56 HB2 ALA 9 HB2 ALA 9 21.162 -7.252 -2.355 57 HB3 ALA 9 HB3 ALA 9 20.143 -6.131 -3.259 58 H DBU 10 HN DHB 10 18.385 -4.588 -1.968 59 HB DBU 10 HB DHB 10 20.017 -1.377 -0.314 60 HG1 DBU 10 HG1 DHB 10 20.105 -2.283 -3.063 61 HG2 DBU 10 HG2 DHB 10 21.459 -3.048 -2.231 62 HG3 DBU 10 HG3 DHB 10 21.323 -1.289 -2.261 63 H ALA 11 HN ALA 11 16.697 -3.683 -0.183 64 HA ALA 11 HA ALA 11 16.365 -2.497 2.361 65 HB1 ALA 11 HB1 ALA 11 14.166 -2.975 2.072 66 HB2 ALA 11 HB2 ALA 11 14.485 -4.656 1.643 67 HB3 ALA 11 HB3 ALA 11 14.664 -3.389 0.430 68 H ALA 12 HN ALA 12 16.948 -5.835 1.343 69 HA ALA 12 HA ALA 12 16.604 -7.039 3.884 70 HB1 ALA 12 HB1 ALA 12 17.868 -8.929 2.913 71 HB2 ALA 12 HB2 ALA 12 18.298 -7.919 1.533 72 HB3 ALA 12 HB3 ALA 12 16.613 -8.352 1.818 73 H ALA 13 HN ALA 13 19.385 -5.588 2.264 74 HA ALA 13 HA ALA 13 21.362 -6.401 4.116 75 HB1 ALA 13 HB1 ALA 13 22.244 -5.595 2.120 76 HB2 ALA 13 HB2 ALA 13 22.507 -4.230 3.205 77 HB3 ALA 13 HB3 ALA 13 21.151 -4.210 2.078 78 H ALA 14 HN ALA 14 19.192 -3.615 4.004 79 HA ALA 14 HA ALA 14 20.367 -2.151 6.116 80 HB2 ALA 14 HB2 ALA 14 18.321 -1.689 4.365 81 HB3 ALA 14 HB3 ALA 14 17.439 -1.953 5.870 82 H DHA 15 HN DHA 15 17.963 -4.751 6.064 83 HB1 DHA 15 HB1 DHA 15 15.958 -6.183 7.268 84 HB2 DHA 15 HB2 DHA 15 16.331 -6.550 9.047 85 H ALA 16 HN ALA 16 20.138 -5.830 8.286 86 HA ALA 16 HA ALA 16 20.306 -5.310 11.157 87 HB1 ALA 16 HB1 ALA 16 22.303 -6.467 9.201 88 HB2 ALA 16 HB2 ALA 16 21.308 -7.368 10.346 89 HB3 ALA 16 HB3 ALA 16 22.577 -6.294 10.935 90 H ALA 17 HN ALA 17 21.963 -4.277 8.169 91 HA ALA 17 HA ALA 17 23.685 -2.403 9.379 92 HB1 ALA 17 HB1 ALA 17 23.285 -3.374 6.822 93 HB2 ALA 17 HB2 ALA 17 24.437 -2.121 7.282 94 HB3 ALA 17 HB3 ALA 17 22.839 -1.673 6.683 95 H CYS 18 HN CYS 18 20.495 -1.952 7.860 96 HA CYS 18 HA CYS 18 20.359 0.840 8.144 97 HB2 CYS 18 HB2 CYS 18 18.263 -1.316 7.933 98 HB3 CYS 18 HB1 CYS 18 17.821 0.379 8.128 99 H GLY 19 HN GLY 19 19.460 -1.793 10.331 100 HA2 GLY 19 HA2 GLY 19 18.381 -0.009 12.335 101 HA3 GLY 19 HA1 GLY 19 18.627 -1.745 12.500 102 H TRP 20 HN TRP 20 21.127 -2.302 12.379 103 HA TRP 20 HA TRP 20 22.309 -1.275 14.721 104 HB2 TRP 20 HB2 TRP 20 23.448 -2.843 12.405 105 HB3 TRP 20 HB1 TRP 20 24.388 -2.429 13.838 106 HD1 TRP 20 HD1 TRP 20 21.797 -4.810 12.568 107 HE1 TRP 20 HE1 TRP 20 21.123 -6.440 14.462 108 HE3 TRP 20 HE3 TRP 20 24.044 -2.567 16.576 109 HZ2 TRP 20 HZ2 TRP 20 21.467 -6.763 17.229 110 HZ3 TRP 20 HZ3 TRP 20 23.844 -3.576 18.834 111 HH2 TRP 20 HH2 TRP 20 22.551 -5.674 19.143 112 H VAL 21 HN VAL 21 22.831 -0.536 11.303 113 HA VAL 21 HA VAL 21 24.518 0.888 10.424 114 HB VAL 21 HB VAL 21 22.187 1.855 10.405 115 HG11 VAL 21 HG11 VAL 21 22.703 2.374 13.062 116 HG12 VAL 21 HG12 VAL 21 21.419 3.129 12.118 117 HG13 VAL 21 HG13 VAL 21 22.967 3.950 12.312 118 HG21 VAL 21 HG21 VAL 21 23.405 3.158 9.020 119 HG22 VAL 21 HG22 VAL 21 24.771 3.206 10.131 120 HG23 VAL 21 HG23 VAL 21 23.420 4.318 10.347 121 H GLY 22 HN GLY 22 26.059 0.060 12.250 122 HA2 GLY 22 HA2 GLY 22 26.626 1.787 14.439 123 HA3 GLY 22 HA1 GLY 22 27.702 0.552 13.789 124 H GLY 23 HN GLY 23 26.704 2.544 11.306 125 HA2 GLY 23 HA2 GLY 23 27.560 4.636 10.532 126 HA3 GLY 23 HA1 GLY 23 28.887 4.487 11.680 127 H GLY 24 HN GLY 24 28.773 1.494 10.616 128 HA2 GLY 24 HA2 GLY 24 31.056 1.686 8.954 129 HA3 GLY 24 HA1 GLY 24 30.067 0.246 9.178 130 H ILE 25 HN ILE 25 27.603 1.366 8.264 131 HA ILE 25 HA ILE 25 27.768 0.844 5.506 132 HB ILE 25 HB ILE 25 25.685 0.544 6.625 133 HG12 ILE 25 HG12 ILE 25 24.205 1.634 5.151 134 HG13 ILE 25 HG11 ILE 25 25.217 3.076 5.061 135 HG21 ILE 25 HG21 ILE 25 26.358 2.540 8.251 136 HG22 ILE 25 HG22 ILE 25 24.676 2.062 8.033 137 HG23 ILE 25 HG23 ILE 25 25.317 3.453 7.159 138 HD11 ILE 25 HD11 ILE 25 26.642 2.149 3.517 139 HD12 ILE 25 HD12 ILE 25 25.193 1.227 3.112 140 HD13 ILE 25 HD13 ILE 25 26.433 0.514 4.145 141 H PHE 26 HN PHE 26 27.236 3.899 7.211 142 HA PHE 26 HA PHE 26 27.310 5.558 4.933 143 HB2 PHE 26 HB2 PHE 26 26.438 6.246 7.169 144 HB3 PHE 26 HB1 PHE 26 28.098 6.300 7.762 145 HD1 PHE 26 HD1 PHE 26 25.883 7.660 5.072 146 HD2 PHE 26 HD2 PHE 26 29.405 8.234 7.464 147 HE1 PHE 26 HE1 PHE 26 26.140 9.946 4.146 148 HE2 PHE 26 HE2 PHE 26 29.660 10.521 6.538 149 HZ PHE 26 HZ PHE 26 28.028 11.376 4.879 150 H THR 27 HN THR 27 29.856 4.561 7.204 151 HA THR 27 HA THR 27 31.939 6.131 6.143 152 HB THR 27 HB THR 27 32.057 3.430 7.508 153 HG1 THR 27 HG1 THR 27 31.123 5.143 8.714 154 HG21 THR 27 HG21 THR 27 34.094 4.164 6.142 155 HG22 THR 27 HG22 THR 27 34.379 3.822 7.848 156 HG23 THR 27 HG23 THR 27 34.254 5.491 7.293 157 H GLY 28 HN GLY 28 30.913 2.804 5.380 158 HA2 GLY 28 HA2 GLY 28 32.912 2.333 3.416 159 HA3 GLY 28 HA1 GLY 28 31.401 1.443 3.581 160 H VAL 29 HN VAL 29 29.583 3.534 3.258 161 HA VAL 29 HA VAL 29 29.397 3.713 0.445 162 HB VAL 29 HB VAL 29 27.940 5.029 2.729 163 HG11 VAL 29 HG11 VAL 29 28.108 6.517 0.658 164 HG12 VAL 29 HG12 VAL 29 26.478 6.108 1.190 165 HG13 VAL 29 HG13 VAL 29 27.191 5.271 -0.188 166 HG21 VAL 29 HG21 VAL 29 27.683 2.552 2.005 167 HG22 VAL 29 HG22 VAL 29 26.877 3.199 0.576 168 HG23 VAL 29 HG23 VAL 29 26.212 3.509 2.180 169 H DBU 30 HN DHB 30 30.317 6.091 2.936 170 HB DBU 30 HB DHB 30 31.381 9.739 1.866 171 HG1 DBU 30 HG1 DHB 30 29.050 8.682 3.335 172 HG2 DBU 30 HG2 DHB 30 28.627 8.978 1.649 173 HG3 DBU 30 HG3 DHB 30 29.234 10.297 2.652 174 H VAL 31 HN VAL 31 32.764 5.859 2.755 175 HA VAL 31 HA VAL 31 35.249 6.890 1.917 176 HB VAL 31 HB VAL 31 34.330 4.164 2.819 177 HG11 VAL 31 HG11 VAL 31 36.150 3.401 1.675 178 HG12 VAL 31 HG12 VAL 31 37.034 4.072 3.045 179 HG13 VAL 31 HG13 VAL 31 36.875 5.003 1.556 180 HG21 VAL 31 HG21 VAL 31 36.304 6.040 4.120 181 HG22 VAL 31 HG22 VAL 31 35.355 4.755 4.866 182 HG23 VAL 31 HG23 VAL 31 34.568 6.247 4.350 183 H VAL 32 HN VAL 32 33.138 4.379 0.541 184 HA VAL 32 HA VAL 32 34.829 3.681 -1.606 185 HB VAL 32 HB VAL 32 31.976 3.260 -0.895 186 HG11 VAL 32 HG11 VAL 32 31.351 3.624 -3.066 187 HG12 VAL 32 HG12 VAL 32 32.046 2.023 -3.309 188 HG13 VAL 32 HG13 VAL 32 32.997 3.462 -3.675 189 HG21 VAL 32 HG21 VAL 32 34.385 1.627 -1.699 190 HG22 VAL 32 HG22 VAL 32 32.772 0.911 -1.659 191 HG23 VAL 32 HG23 VAL 32 33.477 1.576 -0.186 192 H VAL 33 HN VAL 33 32.144 6.009 -1.390 193 HA VAL 33 HA VAL 33 32.182 6.795 -4.094 194 HB VAL 33 HB VAL 33 31.073 8.873 -3.254 195 HG11 VAL 33 HG11 VAL 33 29.220 7.509 -1.976 196 HG12 VAL 33 HG12 VAL 33 30.202 6.118 -2.436 197 HG13 VAL 33 HG13 VAL 33 29.529 7.173 -3.679 198 HG21 VAL 33 HG21 VAL 33 30.615 9.052 -0.846 199 HG22 VAL 33 HG22 VAL 33 32.354 9.039 -1.136 200 HG23 VAL 33 HG23 VAL 33 31.546 7.585 -0.550 201 H DAL 34 HN DAL 34 33.901 8.014 -1.256 202 HA DAL 34 HA DAL 34 35.887 9.138 -1.107 203 HB1 DAL 34 HB2 DAL 34 34.672 10.835 -3.272 204 HB2 DAL 34 HB3 DAL 34 34.343 11.000 -1.552 205 H LEU 35 HN LEU 35 36.614 7.000 -2.160 206 HA LEU 35 HA LEU 35 38.774 7.574 -3.844 207 HB2 LEU 35 HB2 LEU 35 38.692 5.635 -2.324 208 HB3 LEU 35 HB1 LEU 35 37.419 4.918 -3.313 209 HG LEU 35 HG LEU 35 38.907 4.813 -5.234 210 HD11 LEU 35 HD11 LEU 35 40.386 6.708 -3.587 211 HD12 LEU 35 HD12 LEU 35 40.504 6.413 -5.324 212 HD13 LEU 35 HD13 LEU 35 41.432 5.423 -4.196 213 HD21 LEU 35 HD21 LEU 35 39.769 2.874 -4.452 214 HD22 LEU 35 HD22 LEU 35 39.227 3.353 -2.843 215 HD23 LEU 35 HD23 LEU 35 40.863 3.740 -3.375 216 H LYS 36 HN LYS 36 35.573 6.212 -4.517 217 HA LYS 36 HA LYS 36 36.000 5.619 -7.236 218 HB2 LYS 36 HB2 LYS 36 33.495 6.235 -5.694 219 HB3 LYS 36 HB1 LYS 36 33.492 5.775 -7.398 220 HG2 LYS 36 HG2 LYS 36 34.761 3.711 -6.802 221 HG3 LYS 36 HG1 LYS 36 34.619 4.158 -5.101 222 HD2 LYS 36 HD2 LYS 36 32.189 4.101 -5.255 223 HD3 LYS 36 HD1 LYS 36 32.293 3.742 -6.977 224 HE2 LYS 36 HE2 LYS 36 33.461 1.630 -6.479 225 HE3 LYS 36 HE1 LYS 36 33.374 1.983 -4.753 226 HZ1 LYS 36 HZ1 LYS 36 30.807 2.265 -5.734 227 HZ2 LYS 36 HZ2 LYS 36 31.398 1.013 -4.751 228 HZ3 LYS 36 HZ3 LYS 36 31.407 0.845 -6.441 229 H HIS 37 HN HIS 37 34.942 8.578 -5.612 230 HA HIS 37 HA HIS 37 35.012 9.929 -8.243 231 HB2 HIS 37 HB2 HIS 37 33.355 10.565 -5.796 232 HB3 HIS 37 HB1 HIS 37 33.426 11.569 -7.248 233 HD2 HIS 37 HD2 HIS 37 31.912 8.128 -6.104 234 HE1 HIS 37 HE1 HIS 37 30.605 8.887 -10.046 235 HE2 HIS 37 HE2 HIS 37 30.339 7.353 -8.040 236 H CYS 38 HN CYS 38 35.400 10.686 -4.752 237 HA CYS 38 HA CYS 38 37.198 12.870 -5.477 238 HB2 CYS 38 HB2 CYS 38 36.832 13.709 -3.347 239 HB3 CYS 38 HB1 CYS 38 35.295 12.919 -3.692 Start of MODEL 14 1 H1 ABA 1 HT1 ABU 1 6.416 -14.340 -8.223 2 H2 ABA 1 HT2 ABU 1 5.622 -12.843 -8.359 3 H3 ABA 1 HT3 ABU 1 5.306 -13.859 -7.034 4 HA ABA 1 HA ABU 1 6.751 -12.005 -6.420 5 HB2 ABA 1 HB2 ABU 1 8.604 -14.314 -6.299 6 HG1 ABA 1 HG1 ABU 1 7.081 -15.613 -4.841 7 HG3 ABA 1 HG3 ABU 1 5.779 -14.479 -5.198 8 HG2 ABA 1 HG2 ABU 1 6.444 -15.491 -6.480 9 H DBU 2 HN DHB 2 8.669 -14.359 -8.320 10 HB DBU 2 HB DHB 2 11.165 -13.570 -11.123 11 HG1 DBU 2 HG1 DHB 2 8.725 -15.310 -10.539 12 HG2 DBU 2 HG2 DHB 2 10.325 -16.053 -10.546 13 HG3 DBU 2 HG3 DHB 2 9.698 -15.298 -12.011 14 HA PRO 3 HA PRO 3 12.328 -9.690 -9.785 15 HB2 PRO 3 HB2 PRO 3 9.961 -8.241 -10.880 16 HB3 PRO 3 HB1 PRO 3 11.648 -8.179 -11.396 17 HG2 PRO 3 HG2 PRO 3 9.869 -9.469 -12.827 18 HG3 PRO 3 HG1 PRO 3 11.489 -10.153 -12.580 19 HD2 PRO 3 HD2 PRO 3 8.914 -10.894 -11.255 20 HD3 PRO 3 HD1 PRO 3 10.235 -11.939 -11.804 21 H VAL 4 HN VAL 4 8.882 -9.480 -8.935 22 HA VAL 4 HA VAL 4 9.085 -7.291 -7.158 23 HB VAL 4 HB VAL 4 7.087 -9.553 -7.341 24 HG11 VAL 4 HG11 VAL 4 6.524 -8.914 -5.229 25 HG12 VAL 4 HG12 VAL 4 5.821 -7.509 -6.031 26 HG13 VAL 4 HG13 VAL 4 7.440 -7.411 -5.339 27 HG21 VAL 4 HG21 VAL 4 7.479 -7.580 -9.107 28 HG22 VAL 4 HG22 VAL 4 6.506 -6.684 -7.940 29 HG23 VAL 4 HG23 VAL 4 5.858 -8.140 -8.695 30 H CYS 5 HN CYS 5 9.155 -10.800 -6.596 31 HA CYS 5 HA CYS 5 9.410 -10.667 -3.784 32 HB2 CYS 5 HB2 CYS 5 9.992 -12.760 -5.854 33 HB3 CYS 5 HB1 CYS 5 10.503 -13.010 -4.183 34 H ALA 6 HN ALA 6 11.769 -10.629 -6.405 35 HA ALA 6 HA ALA 6 14.099 -10.965 -4.858 36 HB1 ALA 6 HB1 ALA 6 13.796 -9.356 -7.402 37 HB2 ALA 6 HB2 ALA 6 14.004 -11.105 -7.344 38 HB3 ALA 6 HB3 ALA 6 15.288 -10.045 -6.764 39 H VAL 7 HN VAL 7 12.242 -8.071 -5.711 40 HA VAL 7 HA VAL 7 14.056 -6.171 -4.683 41 HB VAL 7 HB VAL 7 11.067 -6.111 -5.110 42 HG11 VAL 7 HG11 VAL 7 12.980 -3.950 -4.205 43 HG12 VAL 7 HG12 VAL 7 11.531 -4.516 -3.376 44 HG13 VAL 7 HG13 VAL 7 11.388 -3.610 -4.883 45 HG21 VAL 7 HG21 VAL 7 11.581 -4.986 -7.122 46 HG22 VAL 7 HG22 VAL 7 12.815 -6.243 -7.034 47 HG23 VAL 7 HG23 VAL 7 13.212 -4.584 -6.584 48 H ALA 8 HN ALA 8 11.275 -7.837 -3.232 49 HA ALA 8 HA ALA 8 11.340 -6.520 -0.737 50 HB1 ALA 8 HB1 ALA 8 9.622 -8.245 -1.853 51 HB2 ALA 8 HB2 ALA 8 9.698 -7.989 -0.110 52 HB3 ALA 8 HB3 ALA 8 10.512 -9.375 -0.834 53 H ALA 9 HN ALA 9 13.083 -9.304 -1.996 54 HA ALA 9 HA ALA 9 14.125 -10.300 0.418 55 HB1 ALA 9 HB1 ALA 9 14.543 -11.760 -1.306 56 HB2 ALA 9 HB2 ALA 9 16.097 -10.928 -1.270 57 HB3 ALA 9 HB3 ALA 9 14.878 -10.468 -2.459 58 H DBU 10 HN DHB 10 15.248 -7.716 -1.736 59 HB DBU 10 HB DHB 10 18.620 -5.801 -0.959 60 HG1 DBU 10 HG1 DHB 10 18.590 -6.792 -3.329 61 HG2 DBU 10 HG2 DHB 10 17.807 -8.227 -2.664 62 HG3 DBU 10 HG3 DHB 10 19.465 -7.834 -2.206 63 H ALA 11 HN ALA 11 14.433 -6.050 -0.099 64 HA ALA 11 HA ALA 11 14.991 -3.880 1.618 65 HB1 ALA 11 HB1 ALA 11 12.452 -5.483 1.779 66 HB2 ALA 11 HB2 ALA 11 12.802 -4.491 0.364 67 HB3 ALA 11 HB3 ALA 11 12.676 -3.743 1.956 68 H ALA 12 HN ALA 12 14.381 -7.303 2.227 69 HA ALA 12 HA ALA 12 14.430 -6.949 5.109 70 HB1 ALA 12 HB1 ALA 12 13.058 -8.726 4.692 71 HB2 ALA 12 HB2 ALA 12 14.576 -9.617 4.798 72 HB3 ALA 12 HB3 ALA 12 13.917 -9.181 3.221 73 H ALA 13 HN ALA 13 16.586 -8.034 2.552 74 HA ALA 13 HA ALA 13 18.588 -9.211 4.146 75 HB1 ALA 13 HB1 ALA 13 19.880 -8.004 1.967 76 HB2 ALA 13 HB2 ALA 13 18.263 -8.403 1.389 77 HB3 ALA 13 HB3 ALA 13 19.293 -9.663 2.066 78 H ALA 14 HN ALA 14 17.788 -5.889 3.484 79 HA ALA 14 HA ALA 14 20.253 -4.692 4.166 80 HB2 ALA 14 HB2 ALA 14 17.912 -3.744 3.202 81 HB3 ALA 14 HB3 ALA 14 17.778 -3.240 4.887 82 H DHA 15 HN DHA 15 17.476 -5.720 6.120 83 HB1 DHA 15 HB1 DHA 15 16.054 -5.456 8.482 84 HB2 DHA 15 HB2 DHA 15 17.158 -5.608 9.967 85 H ALA 16 HN ALA 16 20.027 -6.999 7.295 86 HA ALA 16 HA ALA 16 21.803 -6.427 9.544 87 HB1 ALA 16 HB1 ALA 16 21.871 -8.701 9.138 88 HB2 ALA 16 HB2 ALA 16 23.239 -8.163 8.163 89 HB3 ALA 16 HB3 ALA 16 21.689 -8.503 7.395 90 H ALA 17 HN ALA 17 22.121 -6.526 5.977 91 HA ALA 17 HA ALA 17 24.607 -5.202 5.880 92 HB1 ALA 17 HB1 ALA 17 23.278 -6.525 4.048 93 HB2 ALA 17 HB2 ALA 17 24.357 -5.213 3.573 94 HB3 ALA 17 HB3 ALA 17 22.617 -4.938 3.657 95 H CYS 18 HN CYS 18 21.308 -3.944 5.463 96 HA CYS 18 HA CYS 18 22.010 -1.259 4.980 97 HB2 CYS 18 HB2 CYS 18 19.523 -2.513 6.160 98 HB3 CYS 18 HB1 CYS 18 19.657 -0.802 5.760 99 H GLY 19 HN GLY 19 21.365 -3.042 7.962 100 HA2 GLY 19 HA2 GLY 19 21.364 -0.865 9.744 101 HA3 GLY 19 HA1 GLY 19 21.765 -2.527 10.171 102 H TRP 20 HN TRP 20 24.010 -2.889 8.508 103 HA TRP 20 HA TRP 20 26.053 -1.753 10.114 104 HB2 TRP 20 HB2 TRP 20 26.043 -3.910 8.610 105 HB3 TRP 20 HB1 TRP 20 26.600 -2.798 7.367 106 HD1 TRP 20 HD1 TRP 20 28.646 -4.874 8.130 107 HE1 TRP 20 HE1 TRP 20 30.794 -4.266 9.450 108 HE3 TRP 20 HE3 TRP 20 27.202 -0.478 10.253 109 HZ2 TRP 20 HZ2 TRP 20 31.757 -2.233 11.139 110 HZ3 TRP 20 HZ3 TRP 20 28.763 0.783 11.721 111 HH2 TRP 20 HH2 TRP 20 31.041 -0.115 12.150 112 H VAL 21 HN VAL 21 25.958 -1.427 6.579 113 HA VAL 21 HA VAL 21 27.461 0.846 6.324 114 HB VAL 21 HB VAL 21 25.701 1.278 4.330 115 HG11 VAL 21 HG11 VAL 21 28.116 0.655 4.178 116 HG12 VAL 21 HG12 VAL 21 27.121 -0.169 2.976 117 HG13 VAL 21 HG13 VAL 21 27.662 -1.033 4.415 118 HG21 VAL 21 HG21 VAL 21 25.486 -1.687 4.536 119 HG22 VAL 21 HG22 VAL 21 24.372 -0.526 3.815 120 HG23 VAL 21 HG23 VAL 21 24.413 -0.737 5.565 121 H GLY 22 HN GLY 22 27.139 2.431 7.863 122 HA2 GLY 22 HA2 GLY 22 24.528 3.518 8.423 123 HA3 GLY 22 HA1 GLY 22 26.065 4.130 9.027 124 H GLY 23 HN GLY 23 25.678 3.613 5.623 125 HA2 GLY 23 HA2 GLY 23 24.522 5.806 4.557 126 HA3 GLY 23 HA1 GLY 23 26.076 6.441 5.092 127 H GLY 24 HN GLY 24 25.086 3.350 3.607 128 HA2 GLY 24 HA2 GLY 24 26.014 2.181 1.851 129 HA3 GLY 24 HA1 GLY 24 26.080 3.753 1.052 130 H ILE 25 HN ILE 25 27.916 1.218 2.244 131 HA ILE 25 HA ILE 25 30.175 2.056 3.380 132 HB ILE 25 HB ILE 25 30.128 -0.154 2.703 133 HG12 ILE 25 HG12 ILE 25 32.144 -0.519 1.485 134 HG13 ILE 25 HG11 ILE 25 31.965 0.998 0.604 135 HG21 ILE 25 HG21 ILE 25 29.521 0.902 -0.049 136 HG22 ILE 25 HG22 ILE 25 28.492 -0.095 0.981 137 HG23 ILE 25 HG23 ILE 25 29.943 -0.785 0.250 138 HD11 ILE 25 HD11 ILE 25 31.956 1.566 3.413 139 HD12 ILE 25 HD12 ILE 25 33.117 2.081 2.191 140 HD13 ILE 25 HD13 ILE 25 33.353 0.557 3.047 141 H PHE 26 HN PHE 26 29.129 2.868 0.185 142 HA PHE 26 HA PHE 26 31.480 3.917 -0.897 143 HB2 PHE 26 HB2 PHE 26 29.386 3.637 -2.189 144 HB3 PHE 26 HB1 PHE 26 28.661 4.970 -1.290 145 HD1 PHE 26 HD1 PHE 26 31.617 4.130 -3.432 146 HD2 PHE 26 HD2 PHE 26 28.943 7.188 -2.031 147 HE1 PHE 26 HE1 PHE 26 32.640 5.749 -5.009 148 HE2 PHE 26 HE2 PHE 26 29.968 8.805 -3.608 149 HZ PHE 26 HZ PHE 26 31.815 8.086 -5.098 150 H THR 27 HN THR 27 29.064 5.496 1.216 151 HA THR 27 HA THR 27 30.151 8.079 1.156 152 HB THR 27 HB THR 27 28.769 6.644 3.437 153 HG1 THR 27 HG1 THR 27 27.591 6.777 1.472 154 HG21 THR 27 HG21 THR 27 29.644 9.465 2.996 155 HG22 THR 27 HG22 THR 27 29.589 8.527 4.489 156 HG23 THR 27 HG23 THR 27 28.102 9.189 3.807 157 H GLY 28 HN GLY 28 30.875 5.327 3.295 158 HA2 GLY 28 HA2 GLY 28 32.782 6.695 4.895 159 HA3 GLY 28 HA1 GLY 28 32.635 4.945 4.736 160 H VAL 29 HN VAL 29 33.091 4.644 2.006 161 HA VAL 29 HA VAL 29 35.913 4.670 1.887 162 HB VAL 29 HB VAL 29 33.738 4.144 -0.128 163 HG11 VAL 29 HG11 VAL 29 36.236 3.242 -1.110 164 HG12 VAL 29 HG12 VAL 29 36.450 4.934 -0.662 165 HG13 VAL 29 HG13 VAL 29 35.188 4.478 -1.805 166 HG21 VAL 29 HG21 VAL 29 34.900 2.619 1.870 167 HG22 VAL 29 HG22 VAL 29 35.814 2.145 0.439 168 HG23 VAL 29 HG23 VAL 29 34.059 1.975 0.460 169 H DBU 30 HN DHB 30 33.434 6.721 0.355 170 HB DBU 30 HB DHB 30 34.546 9.713 -1.976 171 HG1 DBU 30 HG1 DHB 30 34.094 8.227 -3.737 172 HG2 DBU 30 HG2 DHB 30 33.076 7.310 -2.625 173 HG3 DBU 30 HG3 DHB 30 34.787 6.910 -2.789 174 H VAL 31 HN VAL 31 33.560 8.531 1.997 175 HA VAL 31 HA VAL 31 34.277 11.202 2.594 176 HB VAL 31 HB VAL 31 33.372 8.873 4.280 177 HG11 VAL 31 HG11 VAL 31 33.102 10.628 6.085 178 HG12 VAL 31 HG12 VAL 31 34.100 11.696 5.097 179 HG13 VAL 31 HG13 VAL 31 34.773 10.193 5.727 180 HG21 VAL 31 HG21 VAL 31 31.285 9.798 4.060 181 HG22 VAL 31 HG22 VAL 31 31.983 10.484 2.593 182 HG23 VAL 31 HG23 VAL 31 31.906 11.448 4.067 183 H VAL 32 HN VAL 32 35.725 8.073 3.457 184 HA VAL 32 HA VAL 32 37.773 9.097 5.103 185 HB VAL 32 HB VAL 32 37.421 6.539 3.557 186 HG11 VAL 32 HG11 VAL 32 39.486 5.715 4.477 187 HG12 VAL 32 HG12 VAL 32 39.720 7.188 5.416 188 HG13 VAL 32 HG13 VAL 32 39.855 7.232 3.658 189 HG21 VAL 32 HG21 VAL 32 37.604 5.775 6.060 190 HG22 VAL 32 HG22 VAL 32 36.104 6.514 5.496 191 HG23 VAL 32 HG23 VAL 32 37.271 7.470 6.414 192 H VAL 33 HN VAL 33 37.688 8.325 1.638 193 HA VAL 33 HA VAL 33 40.397 8.877 1.116 194 HB VAL 33 HB VAL 33 39.584 9.259 -1.246 195 HG11 VAL 33 HG11 VAL 33 38.728 6.810 0.308 196 HG12 VAL 33 HG12 VAL 33 40.214 7.033 -0.614 197 HG13 VAL 33 HG13 VAL 33 38.669 6.895 -1.453 198 HG21 VAL 33 HG21 VAL 33 36.912 8.701 0.076 199 HG22 VAL 33 HG22 VAL 33 37.187 8.743 -1.664 200 HG23 VAL 33 HG23 VAL 33 37.390 10.208 -0.705 201 H DAL 34 HN DAL 34 37.530 10.939 1.134 202 HA DAL 34 HA DAL 34 37.328 13.209 1.286 203 HB1 DAL 34 HB2 DAL 34 39.724 13.177 -0.544 204 HB2 DAL 34 HB3 DAL 34 38.044 13.079 -1.050 205 H LEU 35 HN LEU 35 38.049 12.625 3.565 206 HA LEU 35 HA LEU 35 39.706 14.650 4.549 207 HB2 LEU 35 HB2 LEU 35 37.942 13.557 5.879 208 HB3 LEU 35 HB1 LEU 35 38.863 12.053 5.869 209 HG LEU 35 HG LEU 35 40.695 13.120 7.067 210 HD11 LEU 35 HD11 LEU 35 39.308 15.487 6.128 211 HD12 LEU 35 HD12 LEU 35 40.953 15.343 6.750 212 HD13 LEU 35 HD13 LEU 35 39.608 15.588 7.864 213 HD21 LEU 35 HD21 LEU 35 39.527 13.649 9.191 214 HD22 LEU 35 HD22 LEU 35 38.839 12.216 8.426 215 HD23 LEU 35 HD23 LEU 35 38.001 13.764 8.316 216 H LYS 36 HN LYS 36 40.334 11.217 3.924 217 HA LYS 36 HA LYS 36 42.940 11.150 5.011 218 HB2 LYS 36 HB2 LYS 36 41.596 9.474 2.885 219 HB3 LYS 36 HB1 LYS 36 43.209 9.133 3.512 220 HG2 LYS 36 HG2 LYS 36 40.734 9.377 5.245 221 HG3 LYS 36 HG1 LYS 36 41.396 7.845 4.675 222 HD2 LYS 36 HD2 LYS 36 43.534 8.353 5.798 223 HD3 LYS 36 HD1 LYS 36 42.867 9.880 6.374 224 HE2 LYS 36 HE2 LYS 36 41.118 8.659 7.608 225 HE3 LYS 36 HE1 LYS 36 41.773 7.129 7.028 226 HZ1 LYS 36 HZ1 LYS 36 42.622 7.552 9.204 227 HZ2 LYS 36 HZ2 LYS 36 43.142 9.109 8.764 228 HZ3 LYS 36 HZ3 LYS 36 43.896 7.739 8.101 229 H HIS 37 HN HIS 37 41.726 11.929 1.779 230 HA HIS 37 HA HIS 37 44.487 12.650 1.006 231 HB2 HIS 37 HB2 HIS 37 42.136 11.887 -0.739 232 HB3 HIS 37 HB1 HIS 37 43.727 12.368 -1.332 233 HD2 HIS 37 HD2 HIS 37 41.956 9.220 0.072 234 HE1 HIS 37 HE1 HIS 37 46.056 8.277 -0.287 235 HE2 HIS 37 HE2 HIS 37 43.745 7.319 0.151 236 H CYS 38 HN CYS 38 41.137 13.612 0.187 237 HA CYS 38 HA CYS 38 42.070 16.320 -0.374 238 HB2 CYS 38 HB2 CYS 38 40.092 16.608 -1.550 239 HB3 CYS 38 HB1 CYS 38 40.393 14.885 -1.778 Start of MODEL 15 1 H1 ABA 1 HT1 ABU 1 12.800 -12.319 -10.446 2 H2 ABA 1 HT2 ABU 1 14.390 -12.821 -10.770 3 H3 ABA 1 HT3 ABU 1 13.781 -11.404 -11.483 4 HA ABA 1 HA ABU 1 13.427 -10.693 -9.004 5 HB2 ABA 1 HB2 ABU 1 15.985 -12.129 -8.585 6 HG1 ABA 1 HG1 ABU 1 14.475 -14.114 -7.727 7 HG3 ABA 1 HG3 ABU 1 13.349 -13.523 -8.948 8 HG2 ABA 1 HG2 ABU 1 14.962 -14.053 -9.421 9 H DBU 2 HN DHB 2 16.559 -11.625 -10.475 10 HB DBU 2 HB DHB 2 19.100 -9.293 -12.161 11 HG1 DBU 2 HG1 DHB 2 17.540 -11.832 -12.743 12 HG2 DBU 2 HG2 DHB 2 19.199 -12.014 -12.173 13 HG3 DBU 2 HG3 DHB 2 18.872 -11.153 -13.677 14 HA PRO 3 HA PRO 3 18.118 -5.744 -10.002 15 HB2 PRO 3 HB2 PRO 3 15.709 -4.983 -11.575 16 HB3 PRO 3 HB1 PRO 3 17.302 -4.229 -11.526 17 HG2 PRO 3 HG2 PRO 3 16.542 -5.668 -13.607 18 HG3 PRO 3 HG1 PRO 3 18.211 -5.726 -13.009 19 HD2 PRO 3 HD2 PRO 3 16.018 -7.727 -12.655 20 HD3 PRO 3 HD1 PRO 3 17.751 -7.995 -12.879 21 H VAL 4 HN VAL 4 14.820 -7.047 -10.290 22 HA VAL 4 HA VAL 4 13.639 -5.479 -8.256 23 HB VAL 4 HB VAL 4 12.916 -8.195 -9.371 24 HG11 VAL 4 HG11 VAL 4 12.050 -7.064 -6.947 25 HG12 VAL 4 HG12 VAL 4 11.286 -8.388 -7.825 26 HG13 VAL 4 HG13 VAL 4 10.759 -6.728 -8.099 27 HG21 VAL 4 HG21 VAL 4 11.877 -5.379 -9.812 28 HG22 VAL 4 HG22 VAL 4 11.108 -6.829 -10.457 29 HG23 VAL 4 HG23 VAL 4 12.731 -6.384 -10.983 30 H CYS 5 HN CYS 5 15.084 -8.729 -8.193 31 HA CYS 5 HA CYS 5 14.603 -9.214 -5.440 32 HB2 CYS 5 HB2 CYS 5 16.464 -10.388 -7.487 33 HB3 CYS 5 HB1 CYS 5 16.579 -10.867 -5.792 34 H ALA 6 HN ALA 6 17.318 -7.789 -7.204 35 HA ALA 6 HA ALA 6 19.134 -7.616 -5.056 36 HB1 ALA 6 HB1 ALA 6 18.956 -5.577 -7.269 37 HB2 ALA 6 HB2 ALA 6 19.551 -7.211 -7.563 38 HB3 ALA 6 HB3 ALA 6 20.390 -6.159 -6.425 39 H VAL 7 HN VAL 7 16.674 -5.332 -6.234 40 HA VAL 7 HA VAL 7 17.269 -3.235 -4.445 41 HB VAL 7 HB VAL 7 14.714 -3.990 -5.876 42 HG11 VAL 7 HG11 VAL 7 13.827 -1.848 -5.245 43 HG12 VAL 7 HG12 VAL 7 15.352 -1.370 -4.500 44 HG13 VAL 7 HG13 VAL 7 14.368 -2.632 -3.762 45 HG21 VAL 7 HG21 VAL 7 17.175 -2.631 -6.597 46 HG22 VAL 7 HG22 VAL 7 15.794 -1.550 -6.775 47 HG23 VAL 7 HG23 VAL 7 15.820 -3.093 -7.627 48 H ALA 8 HN ALA 8 14.964 -5.935 -4.237 49 HA ALA 8 HA ALA 8 13.829 -5.207 -1.753 50 HB1 ALA 8 HB1 ALA 8 14.116 -8.074 -2.580 51 HB2 ALA 8 HB2 ALA 8 13.088 -6.995 -3.521 52 HB3 ALA 8 HB3 ALA 8 12.750 -7.265 -1.812 53 H ALA 9 HN ALA 9 16.630 -7.188 -2.611 54 HA ALA 9 HA ALA 9 17.179 -8.170 -0.011 55 HB1 ALA 9 HB1 ALA 9 19.485 -7.678 -1.792 56 HB2 ALA 9 HB2 ALA 9 18.196 -8.667 -2.479 57 HB3 ALA 9 HB3 ALA 9 18.980 -9.160 -0.979 58 H DBU 10 HN DHB 10 18.149 -5.228 -1.729 59 HB DBU 10 HB DHB 10 20.539 -2.537 -0.206 60 HG1 DBU 10 HG1 DHB 10 20.729 -4.793 -2.271 61 HG2 DBU 10 HG2 DHB 10 22.046 -3.745 -1.745 62 HG3 DBU 10 HG3 DHB 10 20.764 -3.102 -2.773 63 H ALA 11 HN ALA 11 16.641 -3.512 -0.062 64 HA ALA 11 HA ALA 11 16.623 -1.991 2.295 65 HB1 ALA 11 HB1 ALA 11 14.759 -2.681 0.395 66 HB2 ALA 11 HB2 ALA 11 14.409 -1.803 1.885 67 HB3 ALA 11 HB3 ALA 11 14.181 -3.550 1.818 68 H ALA 12 HN ALA 12 16.002 -5.454 1.781 69 HA ALA 12 HA ALA 12 15.379 -6.078 4.467 70 HB1 ALA 12 HB1 ALA 12 15.945 -7.540 1.997 71 HB2 ALA 12 HB2 ALA 12 14.818 -7.923 3.300 72 HB3 ALA 12 HB3 ALA 12 16.516 -8.378 3.440 73 H ALA 13 HN ALA 13 18.428 -5.916 2.699 74 HA ALA 13 HA ALA 13 20.082 -7.126 4.636 75 HB1 ALA 13 HB1 ALA 13 21.816 -6.517 3.277 76 HB2 ALA 13 HB2 ALA 13 21.194 -4.883 3.038 77 HB3 ALA 13 HB3 ALA 13 20.503 -6.230 2.135 78 H ALA 14 HN ALA 14 19.016 -3.780 4.196 79 HA ALA 14 HA ALA 14 20.657 -2.618 6.185 80 HB2 ALA 14 HB2 ALA 14 18.925 -1.642 4.322 81 HB3 ALA 14 HB3 ALA 14 17.987 -1.422 5.799 82 H DHA 15 HN DHA 15 17.473 -4.177 6.326 83 HB1 DHA 15 HB1 DHA 15 15.109 -4.688 7.599 84 HB2 DHA 15 HB2 DHA 15 15.334 -4.961 9.419 85 H ALA 16 HN ALA 16 19.221 -5.609 8.690 86 HA ALA 16 HA ALA 16 19.513 -4.928 11.520 87 HB1 ALA 16 HB1 ALA 16 19.814 -7.278 10.764 88 HB2 ALA 16 HB2 ALA 16 21.251 -6.630 11.553 89 HB3 ALA 16 HB3 ALA 16 21.194 -6.761 9.794 90 H ALA 17 HN ALA 17 21.434 -4.771 8.520 91 HA ALA 17 HA ALA 17 23.641 -3.402 9.601 92 HB1 ALA 17 HB1 ALA 17 22.663 -4.132 6.967 93 HB2 ALA 17 HB2 ALA 17 24.323 -3.920 7.524 94 HB3 ALA 17 HB3 ALA 17 23.399 -2.530 6.953 95 H CYS 18 HN CYS 18 20.784 -2.132 7.883 96 HA CYS 18 HA CYS 18 21.473 0.594 8.108 97 HB2 CYS 18 HB2 CYS 18 18.797 -0.781 7.791 98 HB3 CYS 18 HB1 CYS 18 19.009 0.968 7.726 99 H GLY 19 HN GLY 19 19.575 -1.553 10.187 100 HA2 GLY 19 HA2 GLY 19 18.713 0.440 12.018 101 HA3 GLY 19 HA1 GLY 19 18.757 -1.293 12.327 102 H TRP 20 HN TRP 20 21.343 -1.969 12.228 103 HA TRP 20 HA TRP 20 22.390 -0.962 14.677 104 HB2 TRP 20 HB2 TRP 20 23.507 -2.768 12.533 105 HB3 TRP 20 HB1 TRP 20 24.440 -2.314 13.957 106 HD1 TRP 20 HD1 TRP 20 21.504 -4.425 12.842 107 HE1 TRP 20 HE1 TRP 20 20.730 -5.903 14.817 108 HE3 TRP 20 HE3 TRP 20 24.298 -2.424 16.616 109 HZ2 TRP 20 HZ2 TRP 20 21.223 -6.200 17.605 110 HZ3 TRP 20 HZ3 TRP 20 24.127 -3.322 18.920 111 HH2 TRP 20 HH2 TRP 20 22.588 -5.209 19.403 112 H VAL 21 HN VAL 21 23.213 -0.428 11.270 113 HA VAL 21 HA VAL 21 25.016 0.861 10.430 114 HB VAL 21 HB VAL 21 22.925 2.623 11.699 115 HG11 VAL 21 HG11 VAL 21 24.417 4.319 11.547 116 HG12 VAL 21 HG12 VAL 21 24.208 4.169 9.804 117 HG13 VAL 21 HG13 VAL 21 25.547 3.348 10.605 118 HG21 VAL 21 HG21 VAL 21 21.965 2.643 9.587 119 HG22 VAL 21 HG22 VAL 21 22.699 1.040 9.569 120 HG23 VAL 21 HG23 VAL 21 23.505 2.388 8.770 121 H GLY 22 HN GLY 22 26.584 -0.017 12.078 122 HA2 GLY 22 HA2 GLY 22 27.202 1.716 14.328 123 HA3 GLY 22 HA1 GLY 22 28.057 0.246 13.872 124 H GLY 23 HN GLY 23 27.447 2.554 11.388 125 HA2 GLY 23 HA2 GLY 23 28.821 4.369 10.663 126 HA3 GLY 23 HA1 GLY 23 30.124 3.747 11.672 127 H GLY 24 HN GLY 24 29.312 0.974 10.574 128 HA2 GLY 24 HA2 GLY 24 31.341 0.750 8.630 129 HA3 GLY 24 HA1 GLY 24 30.096 -0.454 8.947 130 H ILE 25 HN ILE 25 27.811 1.059 8.324 131 HA ILE 25 HA ILE 25 27.701 0.752 5.515 132 HB ILE 25 HB ILE 25 25.665 0.511 6.684 133 HG12 ILE 25 HG12 ILE 25 24.215 2.014 5.554 134 HG13 ILE 25 HG11 ILE 25 25.420 3.302 5.569 135 HG21 ILE 25 HG21 ILE 25 26.744 2.497 8.362 136 HG22 ILE 25 HG22 ILE 25 25.240 1.609 8.594 137 HG23 ILE 25 HG23 ILE 25 25.231 3.152 7.738 138 HD11 ILE 25 HD11 ILE 25 26.402 2.547 3.679 139 HD12 ILE 25 HD12 ILE 25 24.960 1.550 3.465 140 HD13 ILE 25 HD13 ILE 25 26.387 0.877 4.249 141 H PHE 26 HN PHE 26 27.813 3.636 7.576 142 HA PHE 26 HA PHE 26 27.738 5.559 5.518 143 HB2 PHE 26 HB2 PHE 26 27.531 5.891 8.073 144 HB3 PHE 26 HB1 PHE 26 29.294 5.946 8.070 145 HD1 PHE 26 HD1 PHE 26 26.328 7.429 6.316 146 HD2 PHE 26 HD2 PHE 26 30.384 7.970 7.628 147 HE1 PHE 26 HE1 PHE 26 26.256 9.792 5.567 148 HE2 PHE 26 HE2 PHE 26 30.310 10.334 6.879 149 HZ PHE 26 HZ PHE 26 28.247 11.245 5.848 150 H THR 27 HN THR 27 30.370 3.656 6.854 151 HA THR 27 HA THR 27 32.537 5.106 5.774 152 HB THR 27 HB THR 27 32.426 2.111 6.190 153 HG1 THR 27 HG1 THR 27 32.556 2.468 8.271 154 HG21 THR 27 HG21 THR 27 34.655 2.172 5.862 155 HG22 THR 27 HG22 THR 27 34.838 3.548 6.949 156 HG23 THR 27 HG23 THR 27 34.436 3.812 5.253 157 H GLY 28 HN GLY 28 30.679 2.359 4.481 158 HA2 GLY 28 HA2 GLY 28 32.140 2.105 2.065 159 HA3 GLY 28 HA1 GLY 28 30.514 1.495 2.353 160 H VAL 29 HN VAL 29 29.186 3.895 2.907 161 HA VAL 29 HA VAL 29 28.619 4.837 0.298 162 HB VAL 29 HB VAL 29 27.791 5.587 3.067 163 HG11 VAL 29 HG11 VAL 29 26.331 7.314 1.517 164 HG12 VAL 29 HG12 VAL 29 27.918 7.418 0.756 165 HG13 VAL 29 HG13 VAL 29 27.737 7.781 2.472 166 HG21 VAL 29 HG21 VAL 29 25.960 4.434 2.431 167 HG22 VAL 29 HG22 VAL 29 26.787 4.045 0.923 168 HG23 VAL 29 HG23 VAL 29 25.752 5.469 1.019 169 H DBU 30 HN DHB 30 30.454 6.244 3.009 170 HB DBU 30 HB DHB 30 32.186 9.777 2.529 171 HG1 DBU 30 HG1 DHB 30 29.725 8.778 3.966 172 HG2 DBU 30 HG2 DHB 30 29.440 9.972 2.697 173 HG3 DBU 30 HG3 DHB 30 30.463 10.376 4.075 174 H VAL 31 HN VAL 31 32.687 5.571 2.246 175 HA VAL 31 HA VAL 31 35.194 6.314 1.145 176 HB VAL 31 HB VAL 31 33.881 3.647 1.663 177 HG11 VAL 31 HG11 VAL 31 36.524 3.075 1.342 178 HG12 VAL 31 HG12 VAL 31 36.314 4.328 0.119 179 HG13 VAL 31 HG13 VAL 31 35.321 2.873 0.070 180 HG21 VAL 31 HG21 VAL 31 36.360 4.830 2.917 181 HG22 VAL 31 HG22 VAL 31 35.313 3.559 3.547 182 HG23 VAL 31 HG23 VAL 31 34.751 5.231 3.518 183 H VAL 32 HN VAL 32 32.369 4.620 -0.198 184 HA VAL 32 HA VAL 32 33.471 4.091 -2.737 185 HB VAL 32 HB VAL 32 31.452 2.968 -1.919 186 HG11 VAL 32 HG11 VAL 32 29.894 5.490 -2.441 187 HG12 VAL 32 HG12 VAL 32 30.632 5.219 -0.863 188 HG13 VAL 32 HG13 VAL 32 29.436 4.082 -1.482 189 HG21 VAL 32 HG21 VAL 32 30.399 4.517 -4.232 190 HG22 VAL 32 HG22 VAL 32 30.528 2.772 -4.014 191 HG23 VAL 32 HG23 VAL 32 31.950 3.712 -4.464 192 H VAL 33 HN VAL 33 31.478 6.787 -1.559 193 HA VAL 33 HA VAL 33 31.220 8.169 -3.984 194 HB VAL 33 HB VAL 33 29.859 8.864 -2.162 195 HG11 VAL 33 HG11 VAL 33 30.629 9.419 -0.008 196 HG12 VAL 33 HG12 VAL 33 32.275 9.693 -0.574 197 HG13 VAL 33 HG13 VAL 33 31.640 8.055 -0.463 198 HG21 VAL 33 HG21 VAL 33 31.949 11.032 -2.294 199 HG22 VAL 33 HG22 VAL 33 30.197 11.214 -2.168 200 HG23 VAL 33 HG23 VAL 33 30.920 10.662 -3.678 201 H DAL 34 HN DAL 34 33.520 8.826 -1.336 202 HA DAL 34 HA DAL 34 35.635 9.709 -1.360 203 HB1 DAL 34 HB2 DAL 34 35.171 11.232 -3.850 204 HB2 DAL 34 HB3 DAL 34 34.051 11.539 -2.555 205 H LEU 35 HN LEU 35 34.963 7.248 -2.831 206 HA LEU 35 HA LEU 35 37.459 6.694 -4.000 207 HB2 LEU 35 HB2 LEU 35 35.652 5.072 -3.091 208 HB3 LEU 35 HB1 LEU 35 34.955 5.181 -4.706 209 HG LEU 35 HG LEU 35 37.107 4.473 -5.685 210 HD11 LEU 35 HD11 LEU 35 38.044 5.131 -3.046 211 HD12 LEU 35 HD12 LEU 35 38.990 4.722 -4.478 212 HD13 LEU 35 HD13 LEU 35 38.435 3.446 -3.394 213 HD21 LEU 35 HD21 LEU 35 36.476 2.516 -3.480 214 HD22 LEU 35 HD22 LEU 35 36.876 2.187 -5.166 215 HD23 LEU 35 HD23 LEU 35 35.294 2.845 -4.747 216 H LYS 36 HN LYS 36 34.601 8.165 -5.276 217 HA LYS 36 HA LYS 36 35.425 7.732 -8.051 218 HB2 LYS 36 HB2 LYS 36 32.999 9.057 -6.841 219 HB3 LYS 36 HB1 LYS 36 33.303 8.941 -8.575 220 HG2 LYS 36 HG2 LYS 36 33.421 6.462 -8.360 221 HG3 LYS 36 HG1 LYS 36 33.022 6.616 -6.648 222 HD2 LYS 36 HD2 LYS 36 30.907 7.763 -7.272 223 HD3 LYS 36 HD1 LYS 36 31.299 7.507 -8.971 224 HE2 LYS 36 HE2 LYS 36 31.029 5.276 -6.937 225 HE3 LYS 36 HE1 LYS 36 29.745 5.766 -8.041 226 HZ1 LYS 36 HZ1 LYS 36 31.102 5.206 -9.903 227 HZ2 LYS 36 HZ2 LYS 36 31.101 3.876 -8.846 228 HZ3 LYS 36 HZ3 LYS 36 32.448 4.909 -8.915 229 H HIS 37 HN HIS 37 34.786 10.431 -5.823 230 HA HIS 37 HA HIS 37 36.148 12.249 -7.700 231 HB2 HIS 37 HB2 HIS 37 34.641 13.083 -5.227 232 HB3 HIS 37 HB1 HIS 37 34.992 14.030 -6.676 233 HD2 HIS 37 HD2 HIS 37 32.546 11.108 -5.586 234 HE1 HIS 37 HE1 HIS 37 31.177 12.736 -9.237 235 HE2 HIS 37 HE2 HIS 37 30.641 11.096 -7.373 236 H CYS 38 HN CYS 38 36.429 10.766 -4.584 237 HA CYS 38 HA CYS 38 38.585 12.543 -3.752 238 HB2 CYS 38 HB2 CYS 38 37.453 10.149 -2.299 239 HB3 CYS 38 HB1 CYS 38 38.496 11.378 -1.638 Start of MODEL 16 1 H1 ABA 1 HT1 ABU 1 15.128 -12.416 -10.403 2 H2 ABA 1 HT2 ABU 1 16.666 -12.030 -11.014 3 H3 ABA 1 HT3 ABU 1 15.306 -11.136 -11.502 4 HA ABA 1 HA ABU 1 15.033 -10.209 -9.336 5 HB2 ABA 1 HB2 ABU 1 17.283 -12.115 -8.646 6 HG1 ABA 1 HG1 ABU 1 14.380 -11.956 -8.155 7 HG3 ABA 1 HG3 ABU 1 15.453 -13.355 -8.117 8 HG2 ABA 1 HG2 ABU 1 15.341 -12.291 -6.715 9 H DBU 2 HN DHB 2 18.481 -10.990 -9.800 10 HB DBU 2 HB DHB 2 21.015 -8.590 -11.521 11 HG1 DBU 2 HG1 DHB 2 19.390 -10.981 -12.433 12 HG2 DBU 2 HG2 DHB 2 21.035 -11.285 -11.871 13 HG3 DBU 2 HG3 DHB 2 20.755 -10.229 -13.257 14 HA PRO 3 HA PRO 3 20.258 -5.540 -8.586 15 HB2 PRO 3 HB2 PRO 3 19.335 -3.605 -10.294 16 HB3 PRO 3 HB1 PRO 3 20.943 -4.317 -10.401 17 HG2 PRO 3 HG2 PRO 3 18.503 -4.863 -11.967 18 HG3 PRO 3 HG1 PRO 3 20.197 -4.765 -12.488 19 HD2 PRO 3 HD2 PRO 3 18.937 -7.095 -12.091 20 HD3 PRO 3 HD1 PRO 3 20.672 -6.892 -11.814 21 H VAL 4 HN VAL 4 17.192 -6.068 -10.271 22 HA VAL 4 HA VAL 4 15.613 -4.246 -8.794 23 HB VAL 4 HB VAL 4 14.913 -6.801 -10.252 24 HG11 VAL 4 HG11 VAL 4 12.656 -6.427 -9.858 25 HG12 VAL 4 HG12 VAL 4 12.892 -4.710 -9.530 26 HG13 VAL 4 HG13 VAL 4 13.340 -5.909 -8.317 27 HG21 VAL 4 HG21 VAL 4 14.082 -5.243 -11.959 28 HG22 VAL 4 HG22 VAL 4 15.779 -4.908 -11.613 29 HG23 VAL 4 HG23 VAL 4 14.520 -3.871 -10.942 30 H CYS 5 HN CYS 5 16.151 -7.747 -8.375 31 HA CYS 5 HA CYS 5 14.703 -7.757 -5.857 32 HB2 CYS 5 HB2 CYS 5 14.954 -10.096 -5.893 33 HB3 CYS 5 HB1 CYS 5 14.785 -9.653 -7.591 34 H ALA 6 HN ALA 6 18.041 -8.105 -6.968 35 HA ALA 6 HA ALA 6 19.253 -8.647 -4.499 36 HB1 ALA 6 HB1 ALA 6 20.409 -7.034 -6.786 37 HB2 ALA 6 HB2 ALA 6 20.411 -8.795 -6.692 38 HB3 ALA 6 HB3 ALA 6 21.321 -7.848 -5.514 39 H VAL 7 HN VAL 7 18.653 -5.502 -6.089 40 HA VAL 7 HA VAL 7 19.755 -3.917 -4.024 41 HB VAL 7 HB VAL 7 17.694 -3.297 -6.149 42 HG11 VAL 7 HG11 VAL 7 19.153 -1.496 -4.206 43 HG12 VAL 7 HG12 VAL 7 17.410 -1.722 -4.344 44 HG13 VAL 7 HG13 VAL 7 18.300 -0.916 -5.636 45 HG21 VAL 7 HG21 VAL 7 20.409 -2.118 -6.179 46 HG22 VAL 7 HG22 VAL 7 19.459 -2.786 -7.506 47 HG23 VAL 7 HG23 VAL 7 20.353 -3.862 -6.432 48 H ALA 8 HN ALA 8 16.424 -4.974 -4.725 49 HA ALA 8 HA ALA 8 15.178 -3.577 -2.612 50 HB1 ALA 8 HB1 ALA 8 13.932 -4.587 -4.480 51 HB2 ALA 8 HB2 ALA 8 13.324 -5.161 -2.926 52 HB3 ALA 8 HB3 ALA 8 14.370 -6.194 -3.901 53 H ALA 9 HN ALA 9 16.562 -6.843 -2.782 54 HA ALA 9 HA ALA 9 15.806 -7.662 -0.181 55 HB1 ALA 9 HB1 ALA 9 18.128 -9.038 -0.682 56 HB2 ALA 9 HB2 ALA 9 17.587 -8.624 -2.308 57 HB3 ALA 9 HB3 ALA 9 16.526 -9.529 -1.230 58 H DBU 10 HN DHB 10 18.642 -5.948 -1.430 59 HB DBU 10 HB DHB 10 21.644 -4.849 0.825 60 HG1 DBU 10 HG1 DHB 10 22.590 -6.820 -0.283 61 HG2 DBU 10 HG2 DHB 10 22.114 -5.777 -1.625 62 HG3 DBU 10 HG3 DHB 10 21.080 -7.122 -1.142 63 H ALA 11 HN ALA 11 17.697 -3.791 -0.111 64 HA ALA 11 HA ALA 11 17.989 -2.012 2.052 65 HB1 ALA 11 HB1 ALA 11 15.233 -2.209 1.324 66 HB2 ALA 11 HB2 ALA 11 16.207 -2.364 -0.138 67 HB3 ALA 11 HB3 ALA 11 16.391 -0.949 0.899 68 H ALA 12 HN ALA 12 15.957 -4.904 1.663 69 HA ALA 12 HA ALA 12 14.664 -4.724 4.176 70 HB1 ALA 12 HB1 ALA 12 15.231 -7.374 2.904 71 HB2 ALA 12 HB2 ALA 12 14.180 -6.230 2.068 72 HB3 ALA 12 HB3 ALA 12 13.758 -6.799 3.685 73 H ALA 13 HN ALA 13 17.657 -6.288 3.125 74 HA ALA 13 HA ALA 13 18.205 -7.678 5.527 75 HB1 ALA 13 HB1 ALA 13 20.560 -7.703 4.682 76 HB2 ALA 13 HB2 ALA 13 20.057 -6.631 3.375 77 HB3 ALA 13 HB3 ALA 13 19.378 -8.255 3.495 78 H ALA 14 HN ALA 14 18.553 -4.353 4.600 79 HA ALA 14 HA ALA 14 20.523 -3.541 6.445 80 HB2 ALA 14 HB2 ALA 14 19.167 -2.291 4.463 81 HB3 ALA 14 HB3 ALA 14 18.329 -1.637 5.871 82 H DHA 15 HN DHA 15 17.018 -3.953 6.756 83 HB1 DHA 15 HB1 DHA 15 14.681 -3.335 8.096 84 HB2 DHA 15 HB2 DHA 15 14.864 -3.541 9.931 85 H ALA 16 HN ALA 16 18.365 -5.560 9.076 86 HA ALA 16 HA ALA 16 18.889 -5.026 11.904 87 HB1 ALA 16 HB1 ALA 16 19.354 -7.304 10.044 88 HB2 ALA 16 HB2 ALA 16 18.734 -7.303 11.695 89 HB3 ALA 16 HB3 ALA 16 20.463 -7.118 11.403 90 H ALA 17 HN ALA 17 20.824 -5.536 8.939 91 HA ALA 17 HA ALA 17 23.279 -4.699 10.045 92 HB1 ALA 17 HB1 ALA 17 24.102 -5.153 7.992 93 HB2 ALA 17 HB2 ALA 17 22.916 -4.127 7.186 94 HB3 ALA 17 HB3 ALA 17 22.487 -5.774 7.654 95 H CYS 18 HN CYS 18 20.906 -2.903 8.085 96 HA CYS 18 HA CYS 18 22.278 -0.447 8.059 97 HB2 CYS 18 HB2 CYS 18 19.335 -1.105 7.844 98 HB3 CYS 18 HB1 CYS 18 19.996 0.510 7.595 99 H GLY 19 HN GLY 19 19.916 -1.807 10.318 100 HA2 GLY 19 HA2 GLY 19 19.543 0.491 11.916 101 HA3 GLY 19 HA1 GLY 19 19.284 -1.171 12.442 102 H TRP 20 HN TRP 20 21.879 -2.177 12.129 103 HA TRP 20 HA TRP 20 23.087 -1.408 14.558 104 HB2 TRP 20 HB2 TRP 20 24.054 -3.012 12.197 105 HB3 TRP 20 HB1 TRP 20 25.083 -2.707 13.595 106 HD1 TRP 20 HD1 TRP 20 21.304 -3.551 13.480 107 HE1 TRP 20 HE1 TRP 20 20.920 -5.626 14.982 108 HE3 TRP 20 HE3 TRP 20 26.107 -4.605 14.865 109 HZ2 TRP 20 HZ2 TRP 20 22.391 -7.446 16.527 110 HZ3 TRP 20 HZ3 TRP 20 26.572 -6.528 16.361 111 HH2 TRP 20 HH2 TRP 20 24.701 -7.938 17.183 112 H VAL 21 HN VAL 21 23.726 -0.472 11.204 113 HA VAL 21 HA VAL 21 25.425 0.909 10.369 114 HB VAL 21 HB VAL 21 23.293 2.199 11.007 115 HG11 VAL 21 HG11 VAL 21 23.177 3.155 13.039 116 HG12 VAL 21 HG12 VAL 21 24.737 3.941 12.797 117 HG13 VAL 21 HG13 VAL 21 24.666 2.312 13.466 118 HG21 VAL 21 HG21 VAL 21 24.546 4.407 10.612 119 HG22 VAL 21 HG22 VAL 21 24.743 3.140 9.399 120 HG23 VAL 21 HG23 VAL 21 26.011 3.424 10.590 121 H GLY 22 HN GLY 22 26.700 -0.660 12.183 122 HA2 GLY 22 HA2 GLY 22 27.967 0.798 14.289 123 HA3 GLY 22 HA1 GLY 22 28.484 -0.759 13.644 124 H GLY 23 HN GLY 23 28.067 1.733 11.317 125 HA2 GLY 23 HA2 GLY 23 30.048 3.396 11.095 126 HA3 GLY 23 HA1 GLY 23 30.995 1.913 11.015 127 H GLY 24 HN GLY 24 28.247 0.966 9.667 128 HA2 GLY 24 HA2 GLY 24 29.229 0.894 7.024 129 HA3 GLY 24 HA1 GLY 24 27.574 0.538 7.509 130 H ILE 25 HN ILE 25 27.060 3.138 8.687 131 HA ILE 25 HA ILE 25 25.977 4.500 6.527 132 HB ILE 25 HB ILE 25 25.170 5.016 8.686 133 HG12 ILE 25 HG12 ILE 25 25.242 7.388 8.715 134 HG13 ILE 25 HG11 ILE 25 26.859 7.426 8.011 135 HG21 ILE 25 HG21 ILE 25 27.674 6.276 9.660 136 HG22 ILE 25 HG22 ILE 25 27.652 4.513 9.599 137 HG23 ILE 25 HG23 ILE 25 26.444 5.379 10.548 138 HD11 ILE 25 HD11 ILE 25 24.567 7.760 6.566 139 HD12 ILE 25 HD12 ILE 25 24.820 6.023 6.390 140 HD13 ILE 25 HD13 ILE 25 26.078 7.152 5.887 141 H PHE 26 HN PHE 26 28.846 5.473 8.383 142 HA PHE 26 HA PHE 26 29.665 7.534 6.654 143 HB2 PHE 26 HB2 PHE 26 30.563 7.265 8.937 144 HB3 PHE 26 HB1 PHE 26 31.388 5.789 8.439 145 HD1 PHE 26 HD1 PHE 26 31.136 9.443 7.702 146 HD2 PHE 26 HD2 PHE 26 33.510 5.876 7.403 147 HE1 PHE 26 HE1 PHE 26 33.050 10.786 6.878 148 HE2 PHE 26 HE2 PHE 26 35.425 7.220 6.579 149 HZ PHE 26 HZ PHE 26 35.195 9.674 6.316 150 H THR 27 HN THR 27 30.571 4.093 6.737 151 HA THR 27 HA THR 27 32.478 4.152 4.660 152 HB THR 27 HB THR 27 32.054 1.740 4.487 153 HG1 THR 27 HG1 THR 27 30.310 0.845 5.391 154 HG21 THR 27 HG21 THR 27 32.156 1.293 7.077 155 HG22 THR 27 HG22 THR 27 32.250 3.052 7.175 156 HG23 THR 27 HG23 THR 27 33.475 2.150 6.280 157 H GLY 28 HN GLY 28 29.766 2.129 3.955 158 HA2 GLY 28 HA2 GLY 28 29.441 2.224 1.391 159 HA3 GLY 28 HA1 GLY 28 28.011 2.512 2.375 160 H VAL 29 HN VAL 29 28.201 5.012 3.284 161 HA VAL 29 HA VAL 29 27.693 6.623 0.998 162 HB VAL 29 HB VAL 29 27.928 7.150 3.944 163 HG11 VAL 29 HG11 VAL 29 28.277 9.047 1.770 164 HG12 VAL 29 HG12 VAL 29 28.465 9.285 3.508 165 HG13 VAL 29 HG13 VAL 29 26.874 9.444 2.763 166 HG21 VAL 29 HG21 VAL 29 25.794 6.889 1.873 167 HG22 VAL 29 HG22 VAL 29 25.512 8.031 3.186 168 HG23 VAL 29 HG23 VAL 29 25.807 6.330 3.546 169 H DBU 30 HN DHB 30 30.362 6.616 3.359 170 HB DBU 30 HB DHB 30 33.438 9.031 2.848 171 HG1 DBU 30 HG1 DHB 30 30.749 9.852 3.779 172 HG2 DBU 30 HG2 DHB 30 32.308 10.435 4.360 173 HG3 DBU 30 HG3 DHB 30 31.614 8.958 5.029 174 H VAL 31 HN VAL 31 32.060 5.163 2.124 175 HA VAL 31 HA VAL 31 34.361 4.986 0.515 176 HB VAL 31 HB VAL 31 33.921 2.686 0.416 177 HG11 VAL 31 HG11 VAL 31 34.100 2.514 2.634 178 HG12 VAL 31 HG12 VAL 31 32.346 2.636 2.762 179 HG13 VAL 31 HG13 VAL 31 33.340 4.092 2.844 180 HG21 VAL 31 HG21 VAL 31 31.009 3.470 0.675 181 HG22 VAL 31 HG22 VAL 31 31.566 1.806 0.849 182 HG23 VAL 31 HG23 VAL 31 31.790 2.654 -0.681 183 H VAL 32 HN VAL 32 30.895 5.027 -0.271 184 HA VAL 32 HA VAL 32 31.163 4.500 -3.030 185 HB VAL 32 HB VAL 32 29.051 5.639 -1.265 186 HG11 VAL 32 HG11 VAL 32 28.972 5.842 -4.287 187 HG12 VAL 32 HG12 VAL 32 29.108 7.205 -3.176 188 HG13 VAL 32 HG13 VAL 32 27.646 6.220 -3.186 189 HG21 VAL 32 HG21 VAL 32 28.614 3.708 -3.503 190 HG22 VAL 32 HG22 VAL 32 27.909 3.726 -1.886 191 HG23 VAL 32 HG23 VAL 32 29.562 3.159 -2.121 192 H VAL 33 HN VAL 33 30.947 7.573 -1.243 193 HA VAL 33 HA VAL 33 31.055 9.269 -3.480 194 HB VAL 33 HB VAL 33 31.883 10.975 -1.829 195 HG11 VAL 33 HG11 VAL 33 29.689 11.235 -1.396 196 HG12 VAL 33 HG12 VAL 33 29.757 9.921 -0.223 197 HG13 VAL 33 HG13 VAL 33 29.402 9.575 -1.916 198 HG21 VAL 33 HG21 VAL 33 31.674 8.656 0.112 199 HG22 VAL 33 HG22 VAL 33 32.102 10.322 0.505 200 HG23 VAL 33 HG23 VAL 33 33.195 9.337 -0.466 201 H DAL 34 HN DAL 34 33.625 7.901 -1.464 202 HA DAL 34 HA DAL 34 35.850 7.598 -1.901 203 HB1 DAL 34 HB2 DAL 34 35.597 10.299 -3.219 204 HB2 DAL 34 HB3 DAL 34 35.871 10.028 -1.504 205 H LEU 35 HN LEU 35 34.831 5.897 -3.362 206 HA LEU 35 HA LEU 35 36.303 5.729 -5.741 207 HB2 LEU 35 HB2 LEU 35 35.424 3.772 -4.482 208 HB3 LEU 35 HB1 LEU 35 33.792 4.218 -4.975 209 HG LEU 35 HG LEU 35 34.394 3.957 -7.330 210 HD11 LEU 35 HD11 LEU 35 37.046 4.127 -6.226 211 HD12 LEU 35 HD12 LEU 35 36.560 4.170 -7.922 212 HD13 LEU 35 HD13 LEU 35 36.897 2.625 -7.139 213 HD21 LEU 35 HD21 LEU 35 33.580 1.928 -6.443 214 HD22 LEU 35 HD22 LEU 35 35.013 1.685 -5.444 215 HD23 LEU 35 HD23 LEU 35 35.106 1.454 -7.191 216 H LYS 36 HN LYS 36 32.944 6.725 -5.114 217 HA LYS 36 HA LYS 36 32.103 6.856 -7.791 218 HB2 LYS 36 HB2 LYS 36 30.587 6.867 -5.819 219 HB3 LYS 36 HB1 LYS 36 31.149 8.494 -5.433 220 HG2 LYS 36 HG2 LYS 36 29.114 8.714 -6.669 221 HG3 LYS 36 HG1 LYS 36 30.438 9.189 -7.731 222 HD2 LYS 36 HD2 LYS 36 30.371 7.125 -8.920 223 HD3 LYS 36 HD1 LYS 36 29.349 6.371 -7.696 224 HE2 LYS 36 HE2 LYS 36 27.488 7.835 -8.293 225 HE3 LYS 36 HE1 LYS 36 28.504 8.700 -9.443 226 HZ1 LYS 36 HZ1 LYS 36 26.948 6.714 -10.170 227 HZ2 LYS 36 HZ2 LYS 36 28.311 5.799 -9.730 228 HZ3 LYS 36 HZ3 LYS 36 28.441 7.001 -10.924 229 H HIS 37 HN HIS 37 33.772 9.140 -5.682 230 HA HIS 37 HA HIS 37 33.997 10.985 -7.986 231 HB2 HIS 37 HB2 HIS 37 33.892 11.643 -5.038 232 HB3 HIS 37 HB1 HIS 37 34.188 12.813 -6.325 233 HD2 HIS 37 HD2 HIS 37 31.201 11.226 -4.528 234 HE1 HIS 37 HE1 HIS 37 29.666 12.927 -8.074 235 HE2 HIS 37 HE2 HIS 37 29.043 11.897 -5.838 236 H CYS 38 HN CYS 38 35.626 10.303 -4.864 237 HA CYS 38 HA CYS 38 38.189 11.034 -6.057 238 HB2 CYS 38 HB2 CYS 38 38.977 11.256 -3.894 239 HB3 CYS 38 HB1 CYS 38 37.270 11.640 -3.668 Start of MODEL 17 1 H1 ABA 1 HT1 ABU 1 5.242 -17.900 -3.227 2 H2 ABA 1 HT2 ABU 1 4.325 -16.990 -4.330 3 H3 ABA 1 HT3 ABU 1 4.022 -16.867 -2.662 4 HA ABA 1 HA ABU 1 5.231 -14.965 -3.035 5 HB2 ABA 1 HB2 ABU 1 7.676 -16.584 -2.652 6 HG1 ABA 1 HG1 ABU 1 5.129 -17.135 -1.180 7 HG3 ABA 1 HG3 ABU 1 6.434 -18.240 -1.609 8 HG2 ABA 1 HG2 ABU 1 6.635 -17.123 -0.260 9 H DBU 2 HN DHB 2 6.654 -17.700 -4.818 10 HB DBU 2 HB DHB 2 7.999 -17.563 -8.420 11 HG1 DBU 2 HG1 DHB 2 7.101 -19.761 -6.949 12 HG2 DBU 2 HG2 DHB 2 6.421 -19.334 -8.519 13 HG3 DBU 2 HG3 DHB 2 5.632 -18.789 -7.040 14 HA PRO 3 HA PRO 3 10.097 -13.860 -7.898 15 HB2 PRO 3 HB2 PRO 3 8.540 -12.183 -9.416 16 HB3 PRO 3 HB1 PRO 3 9.374 -13.596 -10.055 17 HG2 PRO 3 HG2 PRO 3 6.545 -13.219 -9.307 18 HG3 PRO 3 HG1 PRO 3 7.256 -14.114 -10.665 19 HD2 PRO 3 HD2 PRO 3 6.356 -15.324 -8.449 20 HD3 PRO 3 HD1 PRO 3 7.714 -15.958 -9.388 21 H VAL 4 HN VAL 4 6.904 -13.317 -6.600 22 HA VAL 4 HA VAL 4 7.175 -10.602 -5.843 23 HB VAL 4 HB VAL 4 5.472 -12.859 -4.785 24 HG11 VAL 4 HG11 VAL 4 5.258 -11.589 -2.915 25 HG12 VAL 4 HG12 VAL 4 4.292 -10.522 -3.935 26 HG13 VAL 4 HG13 VAL 4 6.003 -10.183 -3.676 27 HG21 VAL 4 HG21 VAL 4 3.874 -12.083 -6.237 28 HG22 VAL 4 HG22 VAL 4 5.281 -11.481 -7.112 29 HG23 VAL 4 HG23 VAL 4 4.375 -10.403 -6.050 30 H CYS 5 HN CYS 5 7.757 -13.626 -4.056 31 HA CYS 5 HA CYS 5 8.635 -12.337 -1.669 32 HB2 CYS 5 HB2 CYS 5 9.017 -15.147 -2.716 33 HB3 CYS 5 HB1 CYS 5 9.552 -14.619 -1.120 34 H ALA 6 HN ALA 6 10.320 -13.732 -4.459 35 HA ALA 6 HA ALA 6 12.951 -13.411 -3.515 36 HB1 ALA 6 HB1 ALA 6 12.424 -14.775 -5.477 37 HB2 ALA 6 HB2 ALA 6 13.602 -13.532 -5.896 38 HB3 ALA 6 HB3 ALA 6 11.911 -13.336 -6.358 39 H VAL 7 HN VAL 7 10.932 -11.248 -5.517 40 HA VAL 7 HA VAL 7 12.856 -9.199 -5.780 41 HB VAL 7 HB VAL 7 9.840 -9.195 -5.959 42 HG11 VAL 7 HG11 VAL 7 10.764 -6.973 -7.318 43 HG12 VAL 7 HG12 VAL 7 11.758 -6.981 -5.861 44 HG13 VAL 7 HG13 VAL 7 10.001 -6.952 -5.729 45 HG21 VAL 7 HG21 VAL 7 11.170 -8.540 -8.384 46 HG22 VAL 7 HG22 VAL 7 10.267 -10.010 -8.016 47 HG23 VAL 7 HG23 VAL 7 12.002 -9.941 -7.707 48 H ALA 8 HN ALA 8 10.180 -9.665 -3.482 49 HA ALA 8 HA ALA 8 10.529 -7.250 -2.064 50 HB1 ALA 8 HB1 ALA 8 8.496 -8.566 -1.832 51 HB2 ALA 8 HB2 ALA 8 9.263 -8.395 -0.253 52 HB3 ALA 8 HB3 ALA 8 9.410 -9.909 -1.146 53 H ALA 9 HN ALA 9 11.981 -10.449 -1.698 54 HA ALA 9 HA ALA 9 13.277 -10.007 0.770 55 HB1 ALA 9 HB1 ALA 9 14.840 -11.837 -0.066 56 HB2 ALA 9 HB2 ALA 9 13.887 -11.840 -1.550 57 HB3 ALA 9 HB3 ALA 9 13.127 -12.251 -0.012 58 H DBU 10 HN DHB 10 14.209 -9.296 -2.569 59 HB DBU 10 HB DHB 10 17.677 -7.747 -3.526 60 HG1 DBU 10 HG1 DHB 10 18.066 -10.139 -4.007 61 HG2 DBU 10 HG2 DHB 10 16.726 -9.671 -5.054 62 HG3 DBU 10 HG3 DHB 10 16.409 -10.537 -3.550 63 H ALA 11 HN ALA 11 14.074 -6.480 -2.423 64 HA ALA 11 HA ALA 11 15.443 -4.153 -1.618 65 HB1 ALA 11 HB1 ALA 11 12.849 -4.805 -2.453 66 HB2 ALA 11 HB2 ALA 11 13.474 -3.192 -2.106 67 HB3 ALA 11 HB3 ALA 11 12.653 -4.110 -0.844 68 H ALA 12 HN ALA 12 13.567 -6.532 0.224 69 HA ALA 12 HA ALA 12 13.705 -5.180 2.718 70 HB1 ALA 12 HB1 ALA 12 12.187 -6.791 3.088 71 HB2 ALA 12 HB2 ALA 12 13.543 -7.899 3.299 72 HB3 ALA 12 HB3 ALA 12 12.766 -7.746 1.723 73 H ALA 13 HN ALA 13 15.814 -7.482 1.089 74 HA ALA 13 HA ALA 13 17.488 -8.145 3.247 75 HB1 ALA 13 HB1 ALA 13 18.252 -7.888 0.328 76 HB2 ALA 13 HB2 ALA 13 17.491 -9.307 1.048 77 HB3 ALA 13 HB3 ALA 13 19.108 -8.820 1.557 78 H ALA 14 HN ALA 14 17.550 -5.433 0.979 79 HA ALA 14 HA ALA 14 20.049 -4.354 1.668 80 HB2 ALA 14 HB2 ALA 14 19.112 -3.382 -0.226 81 HB3 ALA 14 HB3 ALA 14 17.524 -3.215 0.525 82 H DHA 15 HN DHA 15 16.803 -3.659 2.978 83 HB1 DHA 15 HB1 DHA 15 15.186 -2.006 4.450 84 HB2 DHA 15 HB2 DHA 15 15.901 -1.653 6.123 85 H ALA 16 HN ALA 16 18.615 -4.741 5.238 86 HA ALA 16 HA ALA 16 19.962 -3.634 7.571 87 HB1 ALA 16 HB1 ALA 16 21.140 -5.994 7.328 88 HB2 ALA 16 HB2 ALA 16 19.750 -6.326 6.295 89 HB3 ALA 16 HB3 ALA 16 19.506 -5.860 7.977 90 H ALA 17 HN ALA 17 20.840 -4.854 4.341 91 HA ALA 17 HA ALA 17 23.607 -4.037 4.681 92 HB1 ALA 17 HB1 ALA 17 22.944 -4.617 1.949 93 HB2 ALA 17 HB2 ALA 17 22.188 -5.824 2.990 94 HB3 ALA 17 HB3 ALA 17 23.930 -5.562 3.064 95 H CYS 18 HN CYS 18 21.348 -3.306 2.022 96 HA CYS 18 HA CYS 18 22.645 -0.972 1.188 97 HB2 CYS 18 HB2 CYS 18 20.752 -0.577 -0.161 98 HB3 CYS 18 HB1 CYS 18 20.861 -2.329 -0.026 99 H GLY 19 HN GLY 19 19.984 -1.443 3.435 100 HA2 GLY 19 HA2 GLY 19 19.392 1.273 3.946 101 HA3 GLY 19 HA1 GLY 19 19.051 -0.061 5.046 102 H TRP 20 HN TRP 20 21.692 -0.978 5.479 103 HA TRP 20 HA TRP 20 22.587 1.005 7.388 104 HB2 TRP 20 HB2 TRP 20 23.589 -1.746 6.647 105 HB3 TRP 20 HB1 TRP 20 24.327 -0.750 7.896 106 HD1 TRP 20 HD1 TRP 20 20.576 -1.333 7.135 107 HE1 TRP 20 HE1 TRP 20 19.450 -2.156 9.318 108 HE3 TRP 20 HE3 TRP 20 24.634 -1.626 10.224 109 HZ2 TRP 20 HZ2 TRP 20 20.143 -2.837 11.962 110 HZ3 TRP 20 HZ3 TRP 20 24.360 -2.368 12.574 111 HH2 TRP 20 HH2 TRP 20 22.107 -2.969 13.427 112 H VAL 21 HN VAL 21 24.553 -0.884 5.084 113 HA VAL 21 HA VAL 21 26.535 -0.315 4.057 114 HB VAL 21 HB VAL 21 25.138 2.182 3.203 115 HG11 VAL 21 HG11 VAL 21 26.066 1.357 0.987 116 HG12 VAL 21 HG12 VAL 21 26.871 0.077 1.896 117 HG13 VAL 21 HG13 VAL 21 27.282 1.765 2.199 118 HG21 VAL 21 HG21 VAL 21 23.693 0.942 1.724 119 HG22 VAL 21 HG22 VAL 21 23.465 0.284 3.344 120 HG23 VAL 21 HG23 VAL 21 24.456 -0.583 2.173 121 H GLY 22 HN GLY 22 25.939 0.931 6.810 122 HA2 GLY 22 HA2 GLY 22 27.220 3.490 6.827 123 HA3 GLY 22 HA1 GLY 22 26.870 2.490 8.234 124 H GLY 23 HN GLY 23 28.485 0.618 6.025 125 HA2 GLY 23 HA2 GLY 23 31.038 1.010 7.462 126 HA3 GLY 23 HA1 GLY 23 30.546 -0.472 6.647 127 H GLY 24 HN GLY 24 30.047 -0.059 4.198 128 HA2 GLY 24 HA2 GLY 24 32.474 0.659 2.945 129 HA3 GLY 24 HA1 GLY 24 30.946 0.361 2.122 130 H ILE 25 HN ILE 25 29.402 2.394 3.353 131 HA ILE 25 HA ILE 25 30.082 4.616 1.720 132 HB ILE 25 HB ILE 25 27.782 3.813 2.764 133 HG12 ILE 25 HG12 ILE 25 28.150 5.641 1.099 134 HG13 ILE 25 HG11 ILE 25 26.881 6.029 2.263 135 HG21 ILE 25 HG21 ILE 25 27.118 5.135 4.689 136 HG22 ILE 25 HG22 ILE 25 28.673 5.968 4.700 137 HG23 ILE 25 HG23 ILE 25 28.590 4.254 5.100 138 HD11 ILE 25 HD11 ILE 25 29.702 7.084 2.142 139 HD12 ILE 25 HD12 ILE 25 28.764 7.160 3.634 140 HD13 ILE 25 HD13 ILE 25 28.192 7.993 2.188 141 H PHE 26 HN PHE 26 30.375 3.984 5.188 142 HA PHE 26 HA PHE 26 31.275 6.541 5.970 143 HB2 PHE 26 HB2 PHE 26 30.517 4.816 7.571 144 HB3 PHE 26 HB1 PHE 26 31.947 3.853 7.199 145 HD1 PHE 26 HD1 PHE 26 30.868 7.198 8.463 146 HD2 PHE 26 HD2 PHE 26 34.000 4.265 8.290 147 HE1 PHE 26 HE1 PHE 26 32.177 8.499 10.119 148 HE2 PHE 26 HE2 PHE 26 35.310 5.566 9.946 149 HZ PHE 26 HZ PHE 26 34.399 7.683 10.861 150 H THR 27 HN THR 27 33.062 3.631 4.965 151 HA THR 27 HA THR 27 35.658 4.630 5.365 152 HB THR 27 HB THR 27 34.814 2.722 3.173 153 HG1 THR 27 HG1 THR 27 34.213 1.473 4.725 154 HG21 THR 27 HG21 THR 27 37.040 2.746 2.808 155 HG22 THR 27 HG22 THR 27 37.193 1.894 4.345 156 HG23 THR 27 HG23 THR 27 37.346 3.650 4.291 157 H GLY 28 HN GLY 28 33.580 4.708 2.474 158 HA2 GLY 28 HA2 GLY 28 35.434 6.068 0.809 159 HA3 GLY 28 HA1 GLY 28 33.694 5.978 0.553 160 H VAL 29 HN VAL 29 32.814 7.199 2.934 161 HA VAL 29 HA VAL 29 33.003 9.941 2.251 162 HB VAL 29 HB VAL 29 31.886 8.454 4.622 163 HG11 VAL 29 HG11 VAL 29 32.665 11.248 4.451 164 HG12 VAL 29 HG12 VAL 29 32.049 10.340 5.831 165 HG13 VAL 29 HG13 VAL 29 30.926 11.081 4.690 166 HG21 VAL 29 HG21 VAL 29 30.798 8.568 2.274 167 HG22 VAL 29 HG22 VAL 29 30.485 10.263 2.649 168 HG23 VAL 29 HG23 VAL 29 29.790 8.993 3.657 169 H DBU 30 HN DHB 30 34.457 8.005 4.865 170 HB DBU 30 HB DHB 30 36.929 9.755 7.416 171 HG1 DBU 30 HG1 DHB 30 33.920 9.915 7.298 172 HG2 DBU 30 HG2 DHB 30 34.963 10.178 8.697 173 HG3 DBU 30 HG3 DHB 30 34.568 8.535 8.187 174 H VAL 31 HN VAL 31 36.604 7.645 3.725 175 HA VAL 31 HA VAL 31 39.388 8.129 3.606 176 HB VAL 31 HB VAL 31 37.423 6.803 1.748 177 HG11 VAL 31 HG11 VAL 31 40.309 7.522 1.317 178 HG12 VAL 31 HG12 VAL 31 38.970 7.561 0.170 179 HG13 VAL 31 HG13 VAL 31 39.679 6.018 0.647 180 HG21 VAL 31 HG21 VAL 31 38.149 4.865 2.719 181 HG22 VAL 31 HG22 VAL 31 38.607 5.937 4.043 182 HG23 VAL 31 HG23 VAL 31 39.812 5.438 2.855 183 H VAL 32 HN VAL 32 36.669 9.297 1.633 184 HA VAL 32 HA VAL 32 38.202 10.776 -0.209 185 HB VAL 32 HB VAL 32 35.347 10.713 0.640 186 HG11 VAL 32 HG11 VAL 32 36.611 12.990 -0.912 187 HG12 VAL 32 HG12 VAL 32 35.761 13.110 0.627 188 HG13 VAL 32 HG13 VAL 32 34.876 12.681 -0.837 189 HG21 VAL 32 HG21 VAL 32 35.620 9.344 -1.184 190 HG22 VAL 32 HG22 VAL 32 37.027 10.233 -1.768 191 HG23 VAL 32 HG23 VAL 32 35.404 10.860 -2.060 192 H VAL 33 HN VAL 33 36.641 11.735 2.838 193 HA VAL 33 HA VAL 33 37.306 14.468 2.733 194 HB VAL 33 HB VAL 33 37.041 14.348 5.240 195 HG11 VAL 33 HG11 VAL 33 34.621 13.278 4.964 196 HG12 VAL 33 HG12 VAL 33 35.042 13.353 3.252 197 HG13 VAL 33 HG13 VAL 33 35.019 14.827 4.221 198 HG21 VAL 33 HG21 VAL 33 36.566 11.419 4.613 199 HG22 VAL 33 HG22 VAL 33 36.279 12.188 6.173 200 HG23 VAL 33 HG23 VAL 33 37.920 12.066 5.539 201 H DAL 34 HN DAL 34 39.051 11.672 4.057 202 HA DAL 34 HA DAL 34 41.290 11.407 4.491 203 HB1 DAL 34 HB2 DAL 34 41.002 14.194 5.608 204 HB2 DAL 34 HB3 DAL 34 40.639 12.709 6.475 205 H LEU 35 HN LEU 35 41.348 11.512 2.040 206 HA LEU 35 HA LEU 35 43.619 12.941 1.205 207 HB2 LEU 35 HB2 LEU 35 42.771 10.840 0.148 208 HB3 LEU 35 HB1 LEU 35 41.426 11.765 -0.521 209 HG LEU 35 HG LEU 35 42.965 13.201 -1.750 210 HD11 LEU 35 HD11 LEU 35 45.437 11.889 -1.543 211 HD12 LEU 35 HD12 LEU 35 44.854 12.015 0.119 212 HD13 LEU 35 HD13 LEU 35 45.031 13.469 -0.866 213 HD21 LEU 35 HD21 LEU 35 44.291 10.926 -2.750 214 HD22 LEU 35 HD22 LEU 35 42.768 11.600 -3.331 215 HD23 LEU 35 HD23 LEU 35 42.761 10.328 -2.110 216 H LYS 36 HN LYS 36 40.146 13.604 0.869 217 HA LYS 36 HA LYS 36 40.329 15.800 -0.872 218 HB2 LYS 36 HB2 LYS 36 38.238 14.576 -0.397 219 HB3 LYS 36 HB1 LYS 36 38.235 15.249 1.234 220 HG2 LYS 36 HG2 LYS 36 38.035 17.471 0.411 221 HG3 LYS 36 HG1 LYS 36 38.333 16.959 -1.249 222 HD2 LYS 36 HD2 LYS 36 36.250 15.656 -1.220 223 HD3 LYS 36 HD1 LYS 36 35.945 16.168 0.438 224 HE2 LYS 36 HE2 LYS 36 34.649 17.580 -1.078 225 HE3 LYS 36 HE1 LYS 36 35.931 18.547 -0.348 226 HZ1 LYS 36 HZ1 LYS 36 36.597 17.191 -2.830 227 HZ2 LYS 36 HZ2 LYS 36 37.021 18.745 -2.290 228 HZ3 LYS 36 HZ3 LYS 36 35.483 18.463 -2.957 229 H HIS 37 HN HIS 37 40.638 15.500 2.614 230 HA HIS 37 HA HIS 37 41.288 18.381 2.736 231 HB2 HIS 37 HB2 HIS 37 39.889 16.684 4.813 232 HB3 HIS 37 HB1 HIS 37 40.414 18.351 5.061 233 HD2 HIS 37 HD2 HIS 37 37.334 16.519 3.774 234 HE1 HIS 37 HE1 HIS 37 37.076 20.425 2.194 235 HE2 HIS 37 HE2 HIS 37 35.805 18.259 2.568 236 H CYS 38 HN CYS 38 41.663 15.407 4.704 237 HA CYS 38 HA CYS 38 44.265 16.353 5.622 238 HB2 CYS 38 HB2 CYS 38 44.081 14.789 7.316 239 HB3 CYS 38 HB1 CYS 38 42.382 15.145 7.009 Start of MODEL 18 1 H1 ABA 1 HT1 ABU 1 4.241 -13.245 -8.223 2 H2 ABA 1 HT2 ABU 1 3.766 -14.081 -6.822 3 H3 ABA 1 HT3 ABU 1 4.991 -14.712 -7.817 4 HA ABA 1 HA ABU 1 5.164 -12.179 -6.277 5 HB2 ABA 1 HB2 ABU 1 6.986 -14.446 -5.711 6 HG1 ABA 1 HG1 ABU 1 4.033 -14.527 -5.020 7 HG3 ABA 1 HG3 ABU 1 4.942 -15.731 -5.933 8 HG2 ABA 1 HG2 ABU 1 5.256 -15.508 -4.211 9 H DBU 2 HN DHB 2 6.738 -14.619 -8.337 10 HB DBU 2 HB DHB 2 9.364 -13.864 -11.048 11 HG1 DBU 2 HG1 DHB 2 7.907 -15.357 -12.133 12 HG2 DBU 2 HG2 DHB 2 6.580 -14.411 -11.459 13 HG3 DBU 2 HG3 DHB 2 7.198 -15.812 -10.584 14 HA PRO 3 HA PRO 3 11.758 -11.354 -8.527 15 HB2 PRO 3 HB2 PRO 3 11.341 -8.942 -9.773 16 HB3 PRO 3 HB1 PRO 3 12.064 -10.338 -10.558 17 HG2 PRO 3 HG2 PRO 3 9.304 -9.291 -10.690 18 HG3 PRO 3 HG1 PRO 3 10.329 -9.965 -11.971 19 HD2 PRO 3 HD2 PRO 3 8.392 -11.385 -10.795 20 HD3 PRO 3 HD1 PRO 3 9.882 -12.134 -11.375 21 H VAL 4 HN VAL 4 8.483 -10.150 -8.280 22 HA VAL 4 HA VAL 4 8.928 -7.955 -6.557 23 HB VAL 4 HB VAL 4 6.544 -9.769 -6.954 24 HG11 VAL 4 HG11 VAL 4 5.821 -7.264 -5.799 25 HG12 VAL 4 HG12 VAL 4 7.086 -7.965 -4.791 26 HG13 VAL 4 HG13 VAL 4 5.610 -8.875 -5.112 27 HG21 VAL 4 HG21 VAL 4 7.122 -8.352 -8.863 28 HG22 VAL 4 HG22 VAL 4 7.217 -6.937 -7.815 29 HG23 VAL 4 HG23 VAL 4 5.664 -7.727 -8.093 30 H CYS 5 HN CYS 5 8.153 -11.364 -5.876 31 HA CYS 5 HA CYS 5 8.197 -11.072 -3.044 32 HB2 CYS 5 HB2 CYS 5 8.470 -13.488 -4.838 33 HB3 CYS 5 HB1 CYS 5 8.398 -13.584 -3.078 34 H ALA 6 HN ALA 6 10.602 -12.087 -5.434 35 HA ALA 6 HA ALA 6 12.627 -12.825 -3.604 36 HB1 ALA 6 HB1 ALA 6 12.772 -11.852 -6.463 37 HB2 ALA 6 HB2 ALA 6 12.802 -13.522 -5.897 38 HB3 ALA 6 HB3 ALA 6 14.164 -12.453 -5.563 39 H VAL 7 HN VAL 7 11.790 -9.732 -5.108 40 HA VAL 7 HA VAL 7 14.057 -8.287 -4.259 41 HB VAL 7 HB VAL 7 11.243 -7.443 -4.955 42 HG11 VAL 7 HG11 VAL 7 13.680 -5.727 -4.413 43 HG12 VAL 7 HG12 VAL 7 12.244 -5.822 -3.396 44 HG13 VAL 7 HG13 VAL 7 12.130 -5.145 -5.020 45 HG21 VAL 7 HG21 VAL 7 13.568 -6.603 -6.565 46 HG22 VAL 7 HG22 VAL 7 12.022 -7.272 -7.088 47 HG23 VAL 7 HG23 VAL 7 13.307 -8.347 -6.534 48 H ALA 8 HN ALA 8 10.852 -8.753 -2.793 49 HA ALA 8 HA ALA 8 11.264 -7.075 -0.557 50 HB1 ALA 8 HB1 ALA 8 9.069 -7.554 -0.478 51 HB2 ALA 8 HB2 ALA 8 9.527 -9.068 0.300 52 HB3 ALA 8 HB3 ALA 8 9.279 -9.012 -1.446 53 H ALA 9 HN ALA 9 11.948 -10.490 -1.137 54 HA ALA 9 HA ALA 9 12.610 -11.202 1.516 55 HB1 ALA 9 HB1 ALA 9 13.755 -13.119 0.506 56 HB2 ALA 9 HB2 ALA 9 13.679 -12.346 -1.076 57 HB3 ALA 9 HB3 ALA 9 12.195 -12.853 -0.271 58 H DBU 10 HN DHB 10 14.522 -9.841 -1.142 59 HB DBU 10 HB DHB 10 18.406 -9.219 -0.632 60 HG1 DBU 10 HG1 DHB 10 17.573 -11.911 -0.955 61 HG2 DBU 10 HG2 DHB 10 18.599 -11.052 -2.104 62 HG3 DBU 10 HG3 DHB 10 16.852 -11.092 -2.340 63 H ALA 11 HN ALA 11 14.438 -7.643 -0.126 64 HA ALA 11 HA ALA 11 15.810 -5.410 0.920 65 HB1 ALA 11 HB1 ALA 11 13.155 -5.092 1.681 66 HB2 ALA 11 HB2 ALA 11 13.065 -6.120 0.250 67 HB3 ALA 11 HB3 ALA 11 13.873 -4.554 0.163 68 H ALA 12 HN ALA 12 13.821 -7.905 2.489 69 HA ALA 12 HA ALA 12 13.903 -6.811 5.093 70 HB1 ALA 12 HB1 ALA 12 13.773 -9.763 4.506 71 HB2 ALA 12 HB2 ALA 12 12.407 -8.694 4.180 72 HB3 ALA 12 HB3 ALA 12 13.016 -8.871 5.826 73 H ALA 13 HN ALA 13 15.967 -9.195 3.458 74 HA ALA 13 HA ALA 13 17.646 -9.734 5.677 75 HB1 ALA 13 HB1 ALA 13 17.372 -10.822 3.212 76 HB2 ALA 13 HB2 ALA 13 18.775 -11.095 4.245 77 HB3 ALA 13 HB3 ALA 13 18.841 -9.874 2.973 78 H ALA 14 HN ALA 14 17.752 -7.319 3.106 79 HA ALA 14 HA ALA 14 20.348 -6.346 3.580 80 HB2 ALA 14 HB2 ALA 14 19.469 -5.531 1.604 81 HB3 ALA 14 HB3 ALA 14 17.880 -5.233 2.311 82 H DHA 15 HN DHA 15 17.201 -5.413 4.953 83 HB1 DHA 15 HB1 DHA 15 15.643 -3.600 6.287 84 HB2 DHA 15 HB2 DHA 15 16.446 -3.023 7.855 85 H ALA 16 HN ALA 16 19.083 -6.195 7.280 86 HA ALA 16 HA ALA 16 20.609 -4.744 9.292 87 HB1 ALA 16 HB1 ALA 16 19.802 -7.431 8.935 88 HB2 ALA 16 HB2 ALA 16 20.744 -6.755 10.265 89 HB3 ALA 16 HB3 ALA 16 21.564 -7.416 8.850 90 H ALA 17 HN ALA 17 21.263 -6.593 6.309 91 HA ALA 17 HA ALA 17 24.055 -5.878 6.316 92 HB1 ALA 17 HB1 ALA 17 23.899 -6.825 3.922 93 HB2 ALA 17 HB2 ALA 17 22.237 -7.245 4.338 94 HB3 ALA 17 HB3 ALA 17 23.577 -7.931 5.258 95 H CYS 18 HN CYS 18 21.659 -5.265 3.750 96 HA CYS 18 HA CYS 18 23.067 -3.128 2.598 97 HB2 CYS 18 HB2 CYS 18 21.124 -2.760 1.286 98 HB3 CYS 18 HB1 CYS 18 21.185 -4.495 1.580 99 H GLY 19 HN GLY 19 20.357 -3.162 4.861 100 HA2 GLY 19 HA2 GLY 19 19.916 -0.419 5.091 101 HA3 GLY 19 HA1 GLY 19 19.612 -1.586 6.376 102 H TRP 20 HN TRP 20 22.198 -2.499 6.885 103 HA TRP 20 HA TRP 20 23.208 -0.447 8.565 104 HB2 TRP 20 HB2 TRP 20 24.227 -3.137 7.703 105 HB3 TRP 20 HB1 TRP 20 25.237 -2.067 8.667 106 HD1 TRP 20 HD1 TRP 20 21.429 -2.540 8.957 107 HE1 TRP 20 HE1 TRP 20 20.899 -3.329 11.366 108 HE3 TRP 20 HE3 TRP 20 26.158 -3.070 10.825 109 HZ2 TRP 20 HZ2 TRP 20 22.249 -4.071 13.721 110 HZ3 TRP 20 HZ3 TRP 20 26.493 -3.822 13.166 111 HH2 TRP 20 HH2 TRP 20 24.528 -4.318 14.600 112 H VAL 21 HN VAL 21 24.148 -1.627 5.378 113 HA VAL 21 HA VAL 21 26.252 0.425 5.250 114 HB VAL 21 HB VAL 21 25.680 -1.995 3.526 115 HG11 VAL 21 HG11 VAL 21 26.990 0.422 2.857 116 HG12 VAL 21 HG12 VAL 21 26.970 -1.082 1.935 117 HG13 VAL 21 HG13 VAL 21 28.252 -0.783 3.109 118 HG21 VAL 21 HG21 VAL 21 26.954 -1.802 5.975 119 HG22 VAL 21 HG22 VAL 21 28.292 -1.672 4.834 120 HG23 VAL 21 HG23 VAL 21 27.228 -3.077 4.788 121 H GLY 22 HN GLY 22 24.918 2.229 4.902 122 HA2 GLY 22 HA2 GLY 22 23.190 2.231 2.530 123 HA3 GLY 22 HA1 GLY 22 23.264 3.488 3.762 124 H GLY 23 HN GLY 23 26.333 2.440 2.893 125 HA2 GLY 23 HA2 GLY 23 27.779 3.158 1.126 126 HA3 GLY 23 HA1 GLY 23 26.632 4.440 0.748 127 H GLY 24 HN GLY 24 26.669 4.532 3.962 128 HA2 GLY 24 HA2 GLY 24 28.187 6.911 4.151 129 HA3 GLY 24 HA1 GLY 24 27.583 5.969 5.511 130 H ILE 25 HN ILE 25 28.947 3.529 4.807 131 HA ILE 25 HA ILE 25 31.373 3.897 6.173 132 HB ILE 25 HB ILE 25 30.467 1.739 6.256 133 HG12 ILE 25 HG12 ILE 25 32.196 0.311 5.346 134 HG13 ILE 25 HG11 ILE 25 32.650 1.543 4.167 135 HG21 ILE 25 HG21 ILE 25 30.568 0.958 3.459 136 HG22 ILE 25 HG22 ILE 25 29.486 2.329 3.711 137 HG23 ILE 25 HG23 ILE 25 29.237 0.832 4.607 138 HD11 ILE 25 HD11 ILE 25 32.671 2.626 6.861 139 HD12 ILE 25 HD12 ILE 25 33.965 2.596 5.663 140 HD13 ILE 25 HD13 ILE 25 33.726 1.218 6.737 141 H PHE 26 HN PHE 26 31.043 2.803 2.807 142 HA PHE 26 HA PHE 26 33.704 3.336 2.084 143 HB2 PHE 26 HB2 PHE 26 32.237 1.855 0.781 144 HB3 PHE 26 HB1 PHE 26 31.247 3.240 0.317 145 HD1 PHE 26 HD1 PHE 26 34.753 1.942 0.194 146 HD2 PHE 26 HD2 PHE 26 31.815 4.535 -1.563 147 HE1 PHE 26 HE1 PHE 26 36.298 2.419 -1.686 148 HE2 PHE 26 HE2 PHE 26 33.360 5.013 -3.442 149 HZ PHE 26 HZ PHE 26 35.601 3.955 -3.505 150 H THR 27 HN THR 27 30.751 5.272 1.662 151 HA THR 27 HA THR 27 31.958 7.424 0.293 152 HB THR 27 HB THR 27 29.524 7.403 2.093 153 HG1 THR 27 HG1 THR 27 28.907 6.213 0.461 154 HG21 THR 27 HG21 THR 27 28.928 9.425 0.666 155 HG22 THR 27 HG22 THR 27 30.607 9.430 0.128 156 HG23 THR 27 HG23 THR 27 30.227 9.674 1.833 157 H GLY 28 HN GLY 28 31.325 6.891 3.752 158 HA2 GLY 28 HA2 GLY 28 32.350 9.373 4.651 159 HA3 GLY 28 HA1 GLY 28 32.151 7.928 5.634 160 H VAL 29 HN VAL 29 33.841 6.148 4.379 161 HA VAL 29 HA VAL 29 36.362 6.898 5.417 162 HB VAL 29 HB VAL 29 35.265 4.540 4.910 163 HG11 VAL 29 HG11 VAL 29 36.370 3.517 2.921 164 HG12 VAL 29 HG12 VAL 29 36.939 5.119 2.451 165 HG13 VAL 29 HG13 VAL 29 35.211 4.773 2.486 166 HG21 VAL 29 HG21 VAL 29 38.238 4.935 4.529 167 HG22 VAL 29 HG22 VAL 29 37.417 3.571 5.288 168 HG23 VAL 29 HG23 VAL 29 37.443 5.142 6.089 169 H DBU 30 HN DHB 30 35.033 6.801 2.141 170 HB DBU 30 HB DHB 30 37.236 7.759 -0.979 171 HG1 DBU 30 HG1 DHB 30 37.842 5.288 -0.399 172 HG2 DBU 30 HG2 DHB 30 36.356 5.457 -1.334 173 HG3 DBU 30 HG3 DHB 30 36.277 5.192 0.407 174 H VAL 31 HN VAL 31 34.656 9.360 1.896 175 HA VAL 31 HA VAL 31 35.584 11.812 0.847 176 HB VAL 31 HB VAL 31 33.253 11.049 1.885 177 HG11 VAL 31 HG11 VAL 31 32.885 11.940 4.096 178 HG12 VAL 31 HG12 VAL 31 34.509 12.625 4.148 179 HG13 VAL 31 HG13 VAL 31 34.289 10.877 4.184 180 HG21 VAL 31 HG21 VAL 31 32.918 13.051 0.907 181 HG22 VAL 31 HG22 VAL 31 34.553 13.588 1.292 182 HG23 VAL 31 HG23 VAL 31 33.263 13.772 2.479 183 H VAL 32 HN VAL 32 35.954 10.295 4.036 184 HA VAL 32 HA VAL 32 37.294 12.430 5.300 185 HB VAL 32 HB VAL 32 37.328 9.441 5.777 186 HG11 VAL 32 HG11 VAL 32 39.019 9.747 7.216 187 HG12 VAL 32 HG12 VAL 32 38.054 10.935 8.091 188 HG13 VAL 32 HG13 VAL 32 39.100 11.450 6.769 189 HG21 VAL 32 HG21 VAL 32 36.003 11.712 7.293 190 HG22 VAL 32 HG22 VAL 32 35.816 9.986 7.605 191 HG23 VAL 32 HG23 VAL 32 35.177 10.688 6.119 192 H VAL 33 HN VAL 33 38.537 9.567 3.569 193 HA VAL 33 HA VAL 33 41.268 10.122 4.000 194 HB VAL 33 HB VAL 33 41.650 8.650 2.041 195 HG11 VAL 33 HG11 VAL 33 39.920 6.805 3.047 196 HG12 VAL 33 HG12 VAL 33 39.927 7.990 4.354 197 HG13 VAL 33 HG13 VAL 33 41.438 7.247 3.830 198 HG21 VAL 33 HG21 VAL 33 38.629 8.638 1.852 199 HG22 VAL 33 HG22 VAL 33 39.741 7.705 0.853 200 HG23 VAL 33 HG23 VAL 33 39.699 9.463 0.720 201 H DAL 34 HN DAL 34 39.042 11.030 1.398 202 HA DAL 34 HA DAL 34 39.199 12.652 -0.221 203 HB1 DAL 34 HB2 DAL 34 42.144 12.643 -0.016 204 HB2 DAL 34 HB3 DAL 34 41.341 11.223 -0.652 205 H LEU 35 HN LEU 35 38.668 13.496 2.265 206 HA LEU 35 HA LEU 35 39.356 16.222 2.227 207 HB2 LEU 35 HB2 LEU 35 37.962 14.367 4.096 208 HB3 LEU 35 HB1 LEU 35 38.482 15.915 4.742 209 HG LEU 35 HG LEU 35 36.236 16.199 3.908 210 HD11 LEU 35 HD11 LEU 35 36.564 18.045 2.503 211 HD12 LEU 35 HD12 LEU 35 37.907 17.280 1.653 212 HD13 LEU 35 HD13 LEU 35 38.133 17.888 3.293 213 HD21 LEU 35 HD21 LEU 35 37.325 14.660 1.574 214 HD22 LEU 35 HD22 LEU 35 36.010 15.801 1.298 215 HD23 LEU 35 HD23 LEU 35 35.794 14.462 2.426 216 H LYS 36 HN LYS 36 40.578 13.502 4.147 217 HA LYS 36 HA LYS 36 42.326 15.022 5.774 218 HB2 LYS 36 HB2 LYS 36 42.310 12.117 4.997 219 HB3 LYS 36 HB1 LYS 36 43.502 12.808 6.100 220 HG2 LYS 36 HG2 LYS 36 41.504 13.742 7.414 221 HG3 LYS 36 HG1 LYS 36 40.510 12.645 6.460 222 HD2 LYS 36 HD2 LYS 36 42.921 11.771 8.047 223 HD3 LYS 36 HD1 LYS 36 41.269 11.688 8.656 224 HE2 LYS 36 HE2 LYS 36 40.696 10.316 6.597 225 HE3 LYS 36 HE1 LYS 36 42.426 10.231 6.269 226 HZ1 LYS 36 HZ1 LYS 36 42.022 9.596 8.957 227 HZ2 LYS 36 HZ2 LYS 36 42.581 8.584 7.713 228 HZ3 LYS 36 HZ3 LYS 36 40.919 8.681 8.050 229 H HIS 37 HN HIS 37 42.738 13.391 2.661 230 HA HIS 37 HA HIS 37 45.407 14.660 2.457 231 HB2 HIS 37 HB2 HIS 37 44.441 12.145 1.077 232 HB3 HIS 37 HB1 HIS 37 46.072 12.821 1.018 233 HD2 HIS 37 HD2 HIS 37 43.810 10.759 3.464 234 HE1 HIS 37 HE1 HIS 37 47.597 11.217 5.280 235 HE2 HIS 37 HE2 HIS 37 45.349 10.047 5.452 236 H CYS 38 HN CYS 38 43.678 13.067 -0.132 237 HA CYS 38 HA CYS 38 44.101 15.088 -2.010 238 HB2 CYS 38 HB2 CYS 38 42.882 13.764 -3.472 239 HB3 CYS 38 HB1 CYS 38 43.363 12.576 -2.259 Start of MODEL 19 1 H1 ABA 1 HT1 ABU 1 14.165 -12.419 -11.295 2 H2 ABA 1 HT2 ABU 1 14.122 -13.680 -10.156 3 H3 ABA 1 HT3 ABU 1 15.605 -13.177 -10.816 4 HA ABA 1 HA ABU 1 13.850 -11.645 -8.978 5 HB2 ABA 1 HB2 ABU 1 16.714 -12.067 -8.396 6 HG1 ABA 1 HG1 ABU 1 14.762 -14.390 -8.318 7 HG3 ABA 1 HG3 ABU 1 16.133 -14.250 -9.419 8 HG2 ABA 1 HG2 ABU 1 16.409 -14.405 -7.684 9 H DBU 2 HN DHB 2 16.964 -11.634 -10.752 10 HB DBU 2 HB DHB 2 18.357 -8.606 -12.706 11 HG1 DBU 2 HG1 DHB 2 17.913 -10.227 -14.447 12 HG2 DBU 2 HG2 DHB 2 17.132 -11.325 -13.309 13 HG3 DBU 2 HG3 DHB 2 18.889 -11.183 -13.332 14 HA PRO 3 HA PRO 3 17.742 -5.847 -9.477 15 HB2 PRO 3 HB2 PRO 3 15.662 -4.339 -10.438 16 HB3 PRO 3 HB1 PRO 3 17.222 -4.467 -11.228 17 HG2 PRO 3 HG2 PRO 3 14.659 -5.816 -11.825 18 HG3 PRO 3 HG1 PRO 3 15.885 -5.170 -12.932 19 HD2 PRO 3 HD2 PRO 3 15.676 -7.789 -12.379 20 HD3 PRO 3 HD1 PRO 3 17.226 -7.032 -12.744 21 H VAL 4 HN VAL 4 14.634 -7.451 -9.837 22 HA VAL 4 HA VAL 4 13.239 -6.210 -7.726 23 HB VAL 4 HB VAL 4 12.996 -8.982 -8.913 24 HG11 VAL 4 HG11 VAL 4 10.930 -7.563 -7.225 25 HG12 VAL 4 HG12 VAL 4 12.111 -8.665 -6.514 26 HG13 VAL 4 HG13 VAL 4 10.964 -9.257 -7.716 27 HG21 VAL 4 HG21 VAL 4 12.152 -6.313 -9.691 28 HG22 VAL 4 HG22 VAL 4 10.760 -7.373 -9.472 29 HG23 VAL 4 HG23 VAL 4 12.042 -7.821 -10.598 30 H CYS 5 HN CYS 5 15.199 -9.184 -7.791 31 HA CYS 5 HA CYS 5 14.877 -9.780 -5.031 32 HB2 CYS 5 HB2 CYS 5 16.939 -10.620 -7.072 33 HB3 CYS 5 HB1 CYS 5 16.921 -11.226 -5.414 34 H ALA 6 HN ALA 6 17.314 -7.987 -6.860 35 HA ALA 6 HA ALA 6 19.148 -7.586 -4.755 36 HB1 ALA 6 HB1 ALA 6 18.901 -6.799 -7.460 37 HB2 ALA 6 HB2 ALA 6 20.302 -6.605 -6.405 38 HB3 ALA 6 HB3 ALA 6 19.101 -5.319 -6.521 39 H VAL 7 HN VAL 7 16.327 -5.716 -5.818 40 HA VAL 7 HA VAL 7 16.703 -3.521 -4.074 41 HB VAL 7 HB VAL 7 14.256 -4.645 -5.443 42 HG11 VAL 7 HG11 VAL 7 14.573 -2.170 -3.727 43 HG12 VAL 7 HG12 VAL 7 13.466 -3.515 -3.464 44 HG13 VAL 7 HG13 VAL 7 13.222 -2.428 -4.829 45 HG21 VAL 7 HG21 VAL 7 15.811 -3.670 -6.991 46 HG22 VAL 7 HG22 VAL 7 16.123 -2.307 -5.920 47 HG23 VAL 7 HG23 VAL 7 14.561 -2.456 -6.724 48 H ALA 8 HN ALA 8 14.816 -6.518 -3.773 49 HA ALA 8 HA ALA 8 13.704 -5.929 -1.234 50 HB1 ALA 8 HB1 ALA 8 14.026 -8.737 -1.484 51 HB2 ALA 8 HB2 ALA 8 13.676 -8.108 -3.093 52 HB3 ALA 8 HB3 ALA 8 12.568 -7.785 -1.760 53 H ALA 9 HN ALA 9 16.679 -7.552 -2.242 54 HA ALA 9 HA ALA 9 17.467 -8.486 0.309 55 HB1 ALA 9 HB1 ALA 9 18.453 -8.703 -2.258 56 HB2 ALA 9 HB2 ALA 9 19.255 -9.292 -0.802 57 HB3 ALA 9 HB3 ALA 9 19.668 -7.707 -1.457 58 H DBU 10 HN DHB 10 17.979 -5.418 -1.383 59 HB DBU 10 HB DHB 10 20.125 -2.511 0.151 60 HG1 DBU 10 HG1 DHB 10 20.215 -4.378 -2.253 61 HG2 DBU 10 HG2 DHB 10 21.650 -4.259 -1.234 62 HG3 DBU 10 HG3 DHB 10 21.041 -2.831 -2.071 63 H ALA 11 HN ALA 11 16.335 -3.813 0.157 64 HA ALA 11 HA ALA 11 16.089 -2.276 2.490 65 HB1 ALA 11 HB1 ALA 11 13.684 -3.569 2.346 66 HB2 ALA 11 HB2 ALA 11 14.277 -3.750 0.695 67 HB3 ALA 11 HB3 ALA 11 14.107 -2.142 1.399 68 H ALA 12 HN ALA 12 15.689 -5.784 2.005 69 HA ALA 12 HA ALA 12 15.071 -6.396 4.699 70 HB1 ALA 12 HB1 ALA 12 16.143 -8.013 2.395 71 HB2 ALA 12 HB2 ALA 12 14.538 -8.066 3.125 72 HB3 ALA 12 HB3 ALA 12 15.923 -8.724 3.994 73 H ALA 13 HN ALA 13 18.124 -6.202 2.927 74 HA ALA 13 HA ALA 13 19.784 -7.257 4.965 75 HB1 ALA 13 HB1 ALA 13 20.813 -7.179 2.878 76 HB2 ALA 13 HB2 ALA 13 21.552 -5.805 3.702 77 HB3 ALA 13 HB3 ALA 13 20.245 -5.542 2.547 78 H ALA 14 HN ALA 14 18.612 -4.006 4.264 79 HA ALA 14 HA ALA 14 20.259 -2.590 6.064 80 HB2 ALA 14 HB2 ALA 14 18.395 -1.869 4.226 81 HB3 ALA 14 HB3 ALA 14 17.494 -1.607 5.721 82 H DHA 15 HN DHA 15 17.184 -4.292 6.494 83 HB1 DHA 15 HB1 DHA 15 14.884 -4.724 7.932 84 HB2 DHA 15 HB2 DHA 15 15.222 -4.881 9.749 85 H ALA 16 HN ALA 16 19.120 -5.437 8.777 86 HA ALA 16 HA ALA 16 19.541 -4.666 11.566 87 HB1 ALA 16 HB1 ALA 16 21.172 -6.468 9.761 88 HB2 ALA 16 HB2 ALA 16 19.944 -7.006 10.906 89 HB3 ALA 16 HB3 ALA 16 21.420 -6.241 11.492 90 H ALA 17 HN ALA 17 21.330 -4.524 8.479 91 HA ALA 17 HA ALA 17 23.463 -2.945 9.424 92 HB1 ALA 17 HB1 ALA 17 23.661 -2.314 6.936 93 HB2 ALA 17 HB2 ALA 17 22.286 -3.389 6.683 94 HB3 ALA 17 HB3 ALA 17 23.790 -4.025 7.348 95 H CYS 18 HN CYS 18 20.490 -1.987 7.701 96 HA CYS 18 HA CYS 18 20.973 0.778 7.686 97 HB2 CYS 18 HB2 CYS 18 18.408 -0.818 7.656 98 HB3 CYS 18 HB1 CYS 18 18.451 0.936 7.484 99 H GLY 19 HN GLY 19 19.421 -1.312 10.079 100 HA2 GLY 19 HA2 GLY 19 18.730 0.896 11.821 101 HA3 GLY 19 HA1 GLY 19 18.542 -0.818 12.179 102 H TRP 20 HN TRP 20 20.768 -1.990 12.357 103 HA TRP 20 HA TRP 20 22.122 -0.962 14.596 104 HB2 TRP 20 HB2 TRP 20 22.805 -3.133 12.619 105 HB3 TRP 20 HB1 TRP 20 23.856 -2.741 13.973 106 HD1 TRP 20 HD1 TRP 20 20.151 -3.673 13.349 107 HE1 TRP 20 HE1 TRP 20 19.331 -5.041 15.392 108 HE3 TRP 20 HE3 TRP 20 24.309 -3.497 16.314 109 HZ2 TRP 20 HZ2 TRP 20 20.282 -5.934 17.907 110 HZ3 TRP 20 HZ3 TRP 20 24.322 -4.616 18.527 111 HH2 TRP 20 HH2 TRP 20 22.300 -5.830 19.308 112 H VAL 21 HN VAL 21 22.888 -0.839 11.140 113 HA VAL 21 HA VAL 21 24.842 0.009 10.129 114 HB VAL 21 HB VAL 21 22.969 1.674 10.065 115 HG11 VAL 21 HG11 VAL 21 24.341 3.395 12.035 116 HG12 VAL 21 HG12 VAL 21 23.492 2.010 12.721 117 HG13 VAL 21 HG13 VAL 21 22.617 3.183 11.737 118 HG21 VAL 21 HG21 VAL 21 24.344 3.444 9.256 119 HG22 VAL 21 HG22 VAL 21 25.266 1.964 8.991 120 HG23 VAL 21 HG23 VAL 21 25.659 3.015 10.351 121 H GLY 22 HN GLY 22 26.409 -1.065 11.558 122 HA2 GLY 22 HA2 GLY 22 27.456 0.342 13.842 123 HA3 GLY 22 HA1 GLY 22 28.146 -1.094 13.093 124 H GLY 23 HN GLY 23 27.405 1.770 11.233 125 HA2 GLY 23 HA2 GLY 23 28.879 3.550 10.643 126 HA3 GLY 23 HA1 GLY 23 30.233 2.591 11.232 127 H GLY 24 HN GLY 24 28.220 0.592 9.503 128 HA2 GLY 24 HA2 GLY 24 30.068 0.166 7.407 129 HA3 GLY 24 HA1 GLY 24 28.423 -0.459 7.465 130 H ILE 25 HN ILE 25 27.162 2.149 7.659 131 HA ILE 25 HA ILE 25 26.867 2.724 4.902 132 HB ILE 25 HB ILE 25 25.307 3.173 7.010 133 HG12 ILE 25 HG12 ILE 25 24.669 3.405 4.629 134 HG13 ILE 25 HG11 ILE 25 24.027 4.737 5.593 135 HG21 ILE 25 HG21 ILE 25 25.300 5.581 7.570 136 HG22 ILE 25 HG22 ILE 25 26.727 5.815 6.559 137 HG23 ILE 25 HG23 ILE 25 26.831 4.828 8.018 138 HD11 ILE 25 HD11 ILE 25 26.322 5.889 4.923 139 HD12 ILE 25 HD12 ILE 25 24.944 5.921 3.821 140 HD13 ILE 25 HD13 ILE 25 26.241 4.751 3.579 141 H PHE 26 HN PHE 26 28.620 4.338 7.519 142 HA PHE 26 HA PHE 26 29.434 6.627 6.085 143 HB2 PHE 26 HB2 PHE 26 29.634 6.465 8.525 144 HB3 PHE 26 HB1 PHE 26 30.837 5.187 8.355 145 HD1 PHE 26 HD1 PHE 26 30.140 8.739 7.413 146 HD2 PHE 26 HD2 PHE 26 33.116 5.715 8.084 147 HE1 PHE 26 HE1 PHE 26 31.926 10.446 7.185 148 HE2 PHE 26 HE2 PHE 26 34.902 7.422 7.855 149 HZ PHE 26 HZ PHE 26 34.306 9.787 7.405 150 H THR 27 HN THR 27 30.989 3.454 6.518 151 HA THR 27 HA THR 27 33.380 4.016 5.147 152 HB THR 27 HB THR 27 31.861 1.405 5.402 153 HG1 THR 27 HG1 THR 27 32.443 1.985 7.392 154 HG21 THR 27 HG21 THR 27 34.720 1.155 5.169 155 HG22 THR 27 HG22 THR 27 34.090 2.054 3.790 156 HG23 THR 27 HG23 THR 27 33.464 0.447 4.154 157 H GLY 28 HN GLY 28 30.320 2.627 3.956 158 HA2 GLY 28 HA2 GLY 28 31.143 2.367 1.252 159 HA3 GLY 28 HA1 GLY 28 29.477 2.409 1.822 160 H VAL 29 HN VAL 29 29.483 4.962 3.030 161 HA VAL 29 HA VAL 29 28.984 6.624 0.792 162 HB VAL 29 HB VAL 29 29.179 7.138 3.756 163 HG11 VAL 29 HG11 VAL 29 28.566 9.413 3.406 164 HG12 VAL 29 HG12 VAL 29 28.298 9.152 1.681 165 HG13 VAL 29 HG13 VAL 29 29.934 9.120 2.336 166 HG21 VAL 29 HG21 VAL 29 26.805 7.534 1.945 167 HG22 VAL 29 HG22 VAL 29 26.832 7.191 3.674 168 HG23 VAL 29 HG23 VAL 29 27.222 5.919 2.516 169 H DBU 30 HN DHB 30 31.639 6.523 3.170 170 HB DBU 30 HB DHB 30 34.662 9.053 2.788 171 HG1 DBU 30 HG1 DHB 30 32.122 10.070 3.638 172 HG2 DBU 30 HG2 DHB 30 33.615 10.172 4.571 173 HG3 DBU 30 HG3 DHB 30 32.522 8.805 4.802 174 H VAL 31 HN VAL 31 33.125 5.201 1.738 175 HA VAL 31 HA VAL 31 35.522 5.087 0.209 176 HB VAL 31 HB VAL 31 33.244 3.154 0.634 177 HG11 VAL 31 HG11 VAL 31 35.749 2.880 -1.049 178 HG12 VAL 31 HG12 VAL 31 34.079 2.661 -1.568 179 HG13 VAL 31 HG13 VAL 31 34.821 1.495 -0.474 180 HG21 VAL 31 HG21 VAL 31 36.152 2.895 1.410 181 HG22 VAL 31 HG22 VAL 31 34.762 2.038 2.070 182 HG23 VAL 31 HG23 VAL 31 34.998 3.746 2.437 183 H VAL 32 HN VAL 32 32.070 5.106 -0.638 184 HA VAL 32 HA VAL 32 32.378 4.764 -3.410 185 HB VAL 32 HB VAL 32 30.242 4.784 -1.843 186 HG11 VAL 32 HG11 VAL 32 30.377 7.601 -2.959 187 HG12 VAL 32 HG12 VAL 32 30.370 7.148 -1.255 188 HG13 VAL 32 HG13 VAL 32 28.936 6.878 -2.243 189 HG21 VAL 32 HG21 VAL 32 30.737 4.769 -4.616 190 HG22 VAL 32 HG22 VAL 32 29.397 5.891 -4.381 191 HG23 VAL 32 HG23 VAL 32 29.271 4.232 -3.798 192 H VAL 33 HN VAL 33 32.122 7.719 -1.456 193 HA VAL 33 HA VAL 33 32.271 9.556 -3.593 194 HB VAL 33 HB VAL 33 31.550 10.449 -1.536 195 HG11 VAL 33 HG11 VAL 33 33.911 10.018 0.113 196 HG12 VAL 33 HG12 VAL 33 33.196 8.503 -0.416 197 HG13 VAL 33 HG13 VAL 33 32.221 9.667 0.471 198 HG21 VAL 33 HG21 VAL 33 34.368 11.377 -1.283 199 HG22 VAL 33 HG22 VAL 33 32.879 12.322 -1.381 200 HG23 VAL 33 HG23 VAL 33 33.582 11.628 -2.843 201 H DAL 34 HN DAL 34 34.855 8.982 -1.198 202 HA DAL 34 HA DAL 34 37.144 8.708 -1.524 203 HB1 DAL 34 HB2 DAL 34 37.833 10.591 -3.326 204 HB2 DAL 34 HB3 DAL 34 36.263 11.182 -2.784 205 H LEU 35 HN LEU 35 35.525 7.011 -3.221 206 HA LEU 35 HA LEU 35 37.452 6.128 -5.074 207 HB2 LEU 35 HB2 LEU 35 35.615 4.721 -4.104 208 HB3 LEU 35 HB1 LEU 35 34.472 5.594 -5.125 209 HG LEU 35 HG LEU 35 35.730 4.886 -7.135 210 HD11 LEU 35 HD11 LEU 35 37.830 4.096 -6.952 211 HD12 LEU 35 HD12 LEU 35 37.271 2.773 -5.928 212 HD13 LEU 35 HD13 LEU 35 37.725 4.318 -5.203 213 HD21 LEU 35 HD21 LEU 35 35.333 2.319 -6.737 214 HD22 LEU 35 HD22 LEU 35 33.955 3.418 -6.695 215 HD23 LEU 35 HD23 LEU 35 34.673 2.846 -5.189 216 H LYS 36 HN LYS 36 34.561 8.161 -5.416 217 HA LYS 36 HA LYS 36 34.890 8.450 -8.274 218 HB2 LYS 36 HB2 LYS 36 33.081 9.854 -6.316 219 HB3 LYS 36 HB1 LYS 36 33.040 10.086 -8.065 220 HG2 LYS 36 HG2 LYS 36 32.664 7.620 -8.328 221 HG3 LYS 36 HG1 LYS 36 32.557 7.493 -6.570 222 HD2 LYS 36 HD2 LYS 36 30.671 9.076 -6.567 223 HD3 LYS 36 HD1 LYS 36 30.781 9.199 -8.321 224 HE2 LYS 36 HE2 LYS 36 30.319 6.782 -8.525 225 HE3 LYS 36 HE1 LYS 36 30.207 6.657 -6.770 226 HZ1 LYS 36 HZ1 LYS 36 28.263 7.576 -8.650 227 HZ2 LYS 36 HZ2 LYS 36 28.528 8.710 -7.413 228 HZ3 LYS 36 HZ3 LYS 36 28.064 7.122 -7.027 229 H HIS 37 HN HIS 37 35.416 10.441 -5.387 230 HA HIS 37 HA HIS 37 37.669 11.770 -6.122 231 HB2 HIS 37 HB2 HIS 37 36.491 14.005 -6.923 232 HB3 HIS 37 HB1 HIS 37 36.941 12.749 -8.081 233 HD2 HIS 37 HD2 HIS 37 33.810 11.857 -5.991 234 HE1 HIS 37 HE1 HIS 37 32.429 13.244 -9.737 235 HE2 HIS 37 HE2 HIS 37 31.744 12.108 -7.571 236 H CYS 38 HN CYS 38 38.136 12.185 -4.036 237 HA CYS 38 HA CYS 38 36.206 13.061 -2.128 238 HB2 CYS 38 HB2 CYS 38 39.211 12.815 -2.110 239 HB3 CYS 38 HB1 CYS 38 38.331 13.503 -0.745 Start of MODEL 20 1 H1 ABA 1 HT1 ABU 1 10.305 -11.785 -10.873 2 H2 ABA 1 HT2 ABU 1 11.489 -12.446 -9.852 3 H3 ABA 1 HT3 ABU 1 10.569 -11.114 -9.339 4 HA ABA 1 HA ABU 1 9.132 -13.522 -10.092 5 HB2 ABA 1 HB2 ABU 1 10.382 -14.784 -8.780 6 HG1 ABA 1 HG1 ABU 1 8.870 -15.041 -7.145 7 HG3 ABA 1 HG3 ABU 1 10.021 -14.123 -6.181 8 HG2 ABA 1 HG2 ABU 1 8.653 -13.314 -6.927 9 H DBU 2 HN DHB 2 9.092 -10.504 -9.778 10 HB DBU 2 HB DHB 2 5.826 -8.537 -9.289 11 HG1 DBU 2 HG1 DHB 2 6.968 -8.445 -11.636 12 HG2 DBU 2 HG2 DHB 2 5.544 -9.481 -11.547 13 HG3 DBU 2 HG3 DHB 2 7.159 -10.195 -11.475 14 HA PRO 3 HA PRO 3 6.041 -8.639 -5.043 15 HB2 PRO 3 HB2 PRO 3 4.329 -11.069 -4.849 16 HB3 PRO 3 HB1 PRO 3 3.951 -9.394 -4.438 17 HG2 PRO 3 HG2 PRO 3 2.957 -10.530 -6.593 18 HG3 PRO 3 HG1 PRO 3 3.476 -8.834 -6.608 19 HD2 PRO 3 HD2 PRO 3 4.838 -11.240 -7.708 20 HD3 PRO 3 HD1 PRO 3 4.751 -9.592 -8.354 21 H VAL 4 HN VAL 4 6.333 -12.151 -5.641 22 HA VAL 4 HA VAL 4 7.389 -12.800 -3.097 23 HB VAL 4 HB VAL 4 7.566 -14.215 -5.764 24 HG11 VAL 4 HG11 VAL 4 8.416 -15.095 -2.988 25 HG12 VAL 4 HG12 VAL 4 9.442 -14.955 -4.415 26 HG13 VAL 4 HG13 VAL 4 8.198 -16.204 -4.343 27 HG21 VAL 4 HG21 VAL 4 5.472 -14.833 -5.272 28 HG22 VAL 4 HG22 VAL 4 5.532 -13.922 -3.762 29 HG23 VAL 4 HG23 VAL 4 6.064 -15.604 -3.800 30 H CYS 5 HN CYS 5 8.937 -12.041 -6.225 31 HA CYS 5 HA CYS 5 11.596 -12.449 -5.280 32 HB2 CYS 5 HB2 CYS 5 10.295 -11.328 -7.694 33 HB3 CYS 5 HB1 CYS 5 11.955 -10.814 -7.378 34 H ALA 6 HN ALA 6 9.511 -9.614 -5.600 35 HA ALA 6 HA ALA 6 11.438 -7.675 -4.899 36 HB1 ALA 6 HB1 ALA 6 8.951 -7.492 -5.840 37 HB2 ALA 6 HB2 ALA 6 9.702 -6.171 -4.945 38 HB3 ALA 6 HB3 ALA 6 8.587 -7.268 -4.129 39 H VAL 7 HN VAL 7 9.156 -9.580 -2.951 40 HA VAL 7 HA VAL 7 9.640 -8.302 -0.487 41 HB VAL 7 HB VAL 7 8.706 -11.089 -1.189 42 HG11 VAL 7 HG11 VAL 7 7.938 -10.428 1.436 43 HG12 VAL 7 HG12 VAL 7 9.655 -10.040 1.332 44 HG13 VAL 7 HG13 VAL 7 9.095 -11.666 0.947 45 HG21 VAL 7 HG21 VAL 7 6.832 -9.441 0.227 46 HG22 VAL 7 HG22 VAL 7 6.709 -10.072 -1.415 47 HG23 VAL 7 HG23 VAL 7 7.482 -8.514 -1.126 48 H ALA 8 HN ALA 8 11.088 -11.210 -1.951 49 HA ALA 8 HA ALA 8 12.864 -11.748 0.199 50 HB1 ALA 8 HB1 ALA 8 13.384 -13.563 -1.023 51 HB2 ALA 8 HB2 ALA 8 13.842 -12.587 -2.418 52 HB3 ALA 8 HB3 ALA 8 12.152 -13.019 -2.161 53 H ALA 9 HN ALA 9 13.186 -9.897 -2.800 54 HA ALA 9 HA ALA 9 15.953 -9.353 -2.585 55 HB1 ALA 9 HB1 ALA 9 14.192 -8.958 -4.542 56 HB2 ALA 9 HB2 ALA 9 15.666 -7.998 -4.419 57 HB3 ALA 9 HB3 ALA 9 14.136 -7.344 -3.832 58 H DBU 10 HN DHB 10 13.084 -7.748 -1.290 59 HB DBU 10 HB DHB 10 13.319 -4.370 0.711 60 HG1 DBU 10 HG1 DHB 10 11.494 -4.665 -1.247 61 HG2 DBU 10 HG2 DHB 10 12.906 -5.037 -2.234 62 HG3 DBU 10 HG3 DHB 10 12.758 -3.456 -1.468 63 H ALA 11 HN ALA 11 13.591 -8.487 1.175 64 HA ALA 11 HA ALA 11 14.598 -7.827 3.718 65 HB1 ALA 11 HB1 ALA 11 13.970 -10.346 2.262 66 HB2 ALA 11 HB2 ALA 11 13.383 -9.770 3.821 67 HB3 ALA 11 HB3 ALA 11 14.996 -10.471 3.690 68 H ALA 12 HN ALA 12 16.162 -9.208 0.858 69 HA ALA 12 HA ALA 12 18.725 -9.388 2.240 70 HB1 ALA 12 HB1 ALA 12 19.520 -10.231 0.006 71 HB2 ALA 12 HB2 ALA 12 17.866 -10.055 -0.583 72 HB3 ALA 12 HB3 ALA 12 18.222 -11.187 0.722 73 H ALA 13 HN ALA 13 16.974 -7.139 0.354 74 HA ALA 13 HA ALA 13 19.083 -5.791 -0.962 75 HB1 ALA 13 HB1 ALA 13 17.453 -3.844 -0.943 76 HB2 ALA 13 HB2 ALA 13 16.358 -4.881 -0.028 77 HB3 ALA 13 HB3 ALA 13 16.846 -5.337 -1.661 78 H ALA 14 HN ALA 14 17.506 -5.207 2.177 79 HA ALA 14 HA ALA 14 19.086 -2.965 2.886 80 HB2 ALA 14 HB2 ALA 14 16.879 -4.164 3.947 81 HB3 ALA 14 HB3 ALA 14 18.121 -4.662 5.096 82 H DHA 15 HN DHA 15 19.495 -6.451 3.369 83 HB1 DHA 15 HB1 DHA 15 20.694 -8.587 4.577 84 HB2 DHA 15 HB2 DHA 15 22.505 -8.315 4.871 85 H ALA 16 HN ALA 16 22.521 -5.605 2.110 86 HA ALA 16 HA ALA 16 24.826 -4.522 3.553 87 HB1 ALA 16 HB1 ALA 16 25.687 -5.397 1.633 88 HB2 ALA 16 HB2 ALA 16 25.276 -3.802 1.003 89 HB3 ALA 16 HB3 ALA 16 24.190 -5.165 0.728 90 H ALA 17 HN ALA 17 22.160 -3.395 1.482 91 HA ALA 17 HA ALA 17 22.855 -0.663 1.478 92 HB1 ALA 17 HB1 ALA 17 21.234 -1.616 -0.091 93 HB2 ALA 17 HB2 ALA 17 20.515 -0.280 0.806 94 HB3 ALA 17 HB3 ALA 17 20.123 -1.945 1.239 95 H CYS 18 HN CYS 18 20.600 -2.467 3.558 96 HA CYS 18 HA CYS 18 19.738 -0.320 5.137 97 HB2 CYS 18 HB2 CYS 18 19.942 -3.287 5.607 98 HB3 CYS 18 HB1 CYS 18 19.404 -2.205 6.890 99 H GLY 19 HN GLY 19 22.398 -2.638 5.684 100 HA2 GLY 19 HA2 GLY 19 23.291 -1.424 8.106 101 HA3 GLY 19 HA1 GLY 19 24.200 -2.574 7.128 102 H TRP 20 HN TRP 20 24.254 -1.125 4.711 103 HA TRP 20 HA TRP 20 26.511 0.517 5.108 104 HB2 TRP 20 HB2 TRP 20 24.647 0.128 2.774 105 HB3 TRP 20 HB1 TRP 20 26.012 1.241 2.704 106 HD1 TRP 20 HD1 TRP 20 26.316 -1.975 4.702 107 HE1 TRP 20 HE1 TRP 20 28.019 -3.528 3.519 108 HE3 TRP 20 HE3 TRP 20 27.052 0.594 0.348 109 HZ2 TRP 20 HZ2 TRP 20 29.468 -3.675 1.119 110 HZ3 TRP 20 HZ3 TRP 20 28.608 -0.292 -1.367 111 HH2 TRP 20 HH2 TRP 20 29.809 -2.428 -0.967 112 H VAL 21 HN VAL 21 23.078 1.266 4.735 113 HA VAL 21 HA VAL 21 23.288 4.048 4.432 114 HB VAL 21 HB VAL 21 21.134 2.314 5.650 115 HG11 VAL 21 HG11 VAL 21 19.745 4.458 5.129 116 HG12 VAL 21 HG12 VAL 21 21.299 5.285 5.223 117 HG13 VAL 21 HG13 VAL 21 20.687 4.399 6.618 118 HG21 VAL 21 HG21 VAL 21 21.956 2.643 3.027 119 HG22 VAL 21 HG22 VAL 21 20.633 3.802 3.167 120 HG23 VAL 21 HG23 VAL 21 20.355 2.098 3.528 121 H GLY 22 HN GLY 22 24.015 5.549 5.776 122 HA2 GLY 22 HA2 GLY 22 24.429 6.720 7.723 123 HA3 GLY 22 HA1 GLY 22 23.407 5.568 8.577 124 H GLY 23 HN GLY 23 25.291 3.483 7.162 125 HA2 GLY 23 HA2 GLY 23 27.430 3.643 9.210 126 HA3 GLY 23 HA1 GLY 23 26.682 2.129 8.708 127 H GLY 24 HN GLY 24 26.787 1.795 6.224 128 HA2 GLY 24 HA2 GLY 24 29.509 1.576 5.487 129 HA3 GLY 24 HA1 GLY 24 28.134 1.299 4.423 130 H ILE 25 HN ILE 25 26.990 3.922 4.665 131 HA ILE 25 HA ILE 25 28.410 5.264 2.617 132 HB ILE 25 HB ILE 25 25.889 5.401 3.433 133 HG12 ILE 25 HG12 ILE 25 26.915 6.431 1.389 134 HG13 ILE 25 HG11 ILE 25 25.665 7.440 2.122 135 HG21 ILE 25 HG21 ILE 25 26.461 6.389 5.627 136 HG22 ILE 25 HG22 ILE 25 25.478 7.496 4.668 137 HG23 ILE 25 HG23 ILE 25 27.216 7.758 4.809 138 HD11 ILE 25 HD11 ILE 25 27.633 8.528 3.432 139 HD12 ILE 25 HD12 ILE 25 27.415 8.964 1.738 140 HD13 ILE 25 HD13 ILE 25 28.654 7.795 2.196 141 H PHE 26 HN PHE 26 28.146 5.837 6.105 142 HA PHE 26 HA PHE 26 29.683 8.206 6.198 143 HB2 PHE 26 HB2 PHE 26 28.265 7.446 8.069 144 HB3 PHE 26 HB1 PHE 26 29.347 6.078 8.332 145 HD1 PHE 26 HD1 PHE 26 29.302 9.815 8.161 146 HD2 PHE 26 HD2 PHE 26 31.249 6.308 9.696 147 HE1 PHE 26 HE1 PHE 26 30.773 11.243 9.557 148 HE2 PHE 26 HE2 PHE 26 32.720 7.736 11.092 149 HZ PHE 26 HZ PHE 26 32.481 10.203 11.022 150 H THR 27 HN THR 27 30.597 4.788 6.578 151 HA THR 27 HA THR 27 33.323 5.217 7.148 152 HB THR 27 HB THR 27 32.166 2.854 5.651 153 HG1 THR 27 HG1 THR 27 30.943 2.902 7.411 154 HG21 THR 27 HG21 THR 27 34.324 2.209 5.762 155 HG22 THR 27 HG22 THR 27 34.062 2.016 7.496 156 HG23 THR 27 HG23 THR 27 34.737 3.520 6.867 157 H GLY 28 HN GLY 28 31.648 4.639 4.059 158 HA2 GLY 28 HA2 GLY 28 33.972 4.744 2.436 159 HA3 GLY 28 HA1 GLY 28 32.316 4.985 1.881 160 H VAL 29 HN VAL 29 31.700 7.208 3.577 161 HA VAL 29 HA VAL 29 32.666 9.344 1.988 162 HB VAL 29 HB VAL 29 31.122 9.212 4.573 163 HG11 VAL 29 HG11 VAL 29 30.923 11.585 4.572 164 HG12 VAL 29 HG12 VAL 29 31.710 11.723 2.999 165 HG13 VAL 29 HG13 VAL 29 32.646 11.249 4.417 166 HG21 VAL 29 HG21 VAL 29 29.270 9.634 3.239 167 HG22 VAL 29 HG22 VAL 29 30.262 8.712 2.108 168 HG23 VAL 29 HG23 VAL 29 30.218 10.472 2.010 169 H DBU 30 HN DHB 30 33.466 8.232 5.275 170 HB DBU 30 HB DHB 30 36.252 10.216 7.298 171 HG1 DBU 30 HG1 DHB 30 33.689 11.462 6.680 172 HG2 DBU 30 HG2 DHB 30 34.465 11.392 8.262 173 HG3 DBU 30 HG3 DHB 30 33.390 10.089 7.749 174 H VAL 31 HN VAL 31 35.382 6.902 4.752 175 HA VAL 31 HA VAL 31 38.189 6.524 4.899 176 HB VAL 31 HB VAL 31 35.996 5.061 3.427 177 HG11 VAL 31 HG11 VAL 31 38.976 4.622 3.512 178 HG12 VAL 31 HG12 VAL 31 37.899 4.594 2.116 179 HG13 VAL 31 HG13 VAL 31 37.868 3.269 3.280 180 HG21 VAL 31 HG21 VAL 31 36.205 3.458 5.178 181 HG22 VAL 31 HG22 VAL 31 36.202 5.026 5.984 182 HG23 VAL 31 HG23 VAL 31 37.720 4.162 5.743 183 H VAL 32 HN VAL 32 35.989 7.266 2.182 184 HA VAL 32 HA VAL 32 37.993 7.344 0.188 185 HB VAL 32 HB VAL 32 35.246 8.593 0.392 186 HG11 VAL 32 HG11 VAL 32 37.295 8.675 -1.816 187 HG12 VAL 32 HG12 VAL 32 36.374 10.009 -1.121 188 HG13 VAL 32 HG13 VAL 32 35.569 8.824 -2.150 189 HG21 VAL 32 HG21 VAL 32 36.397 6.202 -1.076 190 HG22 VAL 32 HG22 VAL 32 34.772 6.832 -1.352 191 HG23 VAL 32 HG23 VAL 32 35.210 6.178 0.228 192 H VAL 33 HN VAL 33 36.432 9.967 2.043 193 HA VAL 33 HA VAL 33 37.672 12.164 0.972 194 HB VAL 33 HB VAL 33 36.095 12.603 2.650 195 HG11 VAL 33 HG11 VAL 33 35.821 11.406 4.578 196 HG12 VAL 33 HG12 VAL 33 37.557 11.288 4.872 197 HG13 VAL 33 HG13 VAL 33 36.783 10.214 3.709 198 HG21 VAL 33 HG21 VAL 33 38.743 12.979 4.052 199 HG22 VAL 33 HG22 VAL 33 37.276 13.926 4.293 200 HG23 VAL 33 HG23 VAL 33 38.157 14.033 2.768 201 H DAL 34 HN DAL 34 38.869 10.620 3.951 202 HA DAL 34 HA DAL 34 41.032 10.067 4.547 203 HB1 DAL 34 HB2 DAL 34 41.719 12.832 3.619 204 HB2 DAL 34 HB3 DAL 34 40.692 12.566 5.016 205 H LEU 35 HN LEU 35 40.681 8.762 2.393 206 HA LEU 35 HA LEU 35 43.192 8.469 1.183 207 HB2 LEU 35 HB2 LEU 35 40.443 7.444 0.640 208 HB3 LEU 35 HB1 LEU 35 41.689 7.194 -0.578 209 HG LEU 35 HG LEU 35 42.127 6.505 2.334 210 HD11 LEU 35 HD11 LEU 35 40.696 4.788 2.085 211 HD12 LEU 35 HD12 LEU 35 41.772 4.147 0.842 212 HD13 LEU 35 HD13 LEU 35 40.429 5.197 0.391 213 HD21 LEU 35 HD21 LEU 35 43.410 5.156 -0.017 214 HD22 LEU 35 HD22 LEU 35 44.062 5.447 1.596 215 HD23 LEU 35 HD23 LEU 35 43.968 6.768 0.431 216 H LYS 36 HN LYS 36 40.359 10.309 0.232 217 HA LYS 36 HA LYS 36 41.104 10.883 -2.425 218 HB2 LYS 36 HB2 LYS 36 39.316 12.264 -0.436 219 HB3 LYS 36 HB1 LYS 36 39.605 12.944 -2.037 220 HG2 LYS 36 HG2 LYS 36 38.664 10.100 -1.598 221 HG3 LYS 36 HG1 LYS 36 37.561 11.449 -1.868 222 HD2 LYS 36 HD2 LYS 36 38.702 11.934 -4.012 223 HD3 LYS 36 HD1 LYS 36 39.768 10.555 -3.743 224 HE2 LYS 36 HE2 LYS 36 37.873 9.026 -3.777 225 HE3 LYS 36 HE1 LYS 36 36.746 10.377 -3.907 226 HZ1 LYS 36 HZ1 LYS 36 38.894 10.011 -5.895 227 HZ2 LYS 36 HZ2 LYS 36 37.420 10.843 -6.053 228 HZ3 LYS 36 HZ3 LYS 36 37.443 9.144 -6.030 229 H HIS 37 HN HIS 37 41.839 12.485 0.646 230 HA HIS 37 HA HIS 37 43.856 14.094 -0.804 231 HB2 HIS 37 HB2 HIS 37 42.054 15.041 1.432 232 HB3 HIS 37 HB1 HIS 37 43.358 15.979 0.701 233 HD2 HIS 37 HD2 HIS 37 39.694 14.878 -0.117 234 HE1 HIS 37 HE1 HIS 37 41.074 17.238 -3.335 235 HE2 HIS 37 HE2 HIS 37 39.039 16.100 -2.330 236 H CYS 38 HN CYS 38 42.803 13.164 2.487 237 HA CYS 38 HA CYS 38 45.565 13.261 3.412 238 HB2 CYS 38 HB2 CYS 38 44.710 13.411 5.531 239 HB3 CYS 38 HB1 CYS 38 43.330 14.042 4.633
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