NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
653533 | 7k1q | 30793 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 TRP 1 H1 TRP 1 37.006 60.025 15.143 2 H2 TRP 1 H2 TRP 1 36.418 59.124 13.821 3 H3 TRP 1 H3 TRP 1 35.371 60.134 14.696 4 HA TRP 1 HA TRP 1 35.636 58.958 16.611 5 HB2 TRP 1 HB1 TRP 1 34.702 57.301 14.185 6 HB3 TRP 1 HB2 TRP 1 34.710 56.825 15.925 7 HD1 TRP 1 HD1 TRP 1 32.746 59.075 13.450 8 HE1 TRP 1 HE1 TRP 1 30.875 60.271 14.631 9 HE3 TRP 1 HE3 TRP 1 33.778 57.865 18.292 10 HZ2 TRP 1 HZ2 TRP 1 29.920 60.810 17.201 11 HZ3 TRP 1 HZ3 TRP 1 32.471 58.774 20.061 12 HH2 TRP 1 HH2 TRP 1 30.493 60.178 19.497 13 H LYS 2 HN LYS 2 36.911 57.911 18.081 14 HA LYS 2 HA LYS 2 39.340 56.868 17.322 15 HB2 LYS 2 HB1 LYS 2 37.648 56.281 19.845 16 HB3 LYS 2 HB2 LYS 2 39.445 56.147 19.653 17 HG2 LYS 2 HG1 LYS 2 39.481 58.579 19.005 18 HG3 LYS 2 HG2 LYS 2 37.836 58.674 19.761 19 HD2 LYS 2 HD1 LYS 2 38.578 57.610 21.771 20 HD3 LYS 2 HD2 LYS 2 40.322 57.657 21.283 21 HE2 LYS 2 HE1 LYS 2 40.130 60.155 20.908 22 HE3 LYS 2 HE2 LYS 2 38.550 60.076 21.790 23 HZ1 LYS 2 HZ1 LYS 2 39.783 59.031 23.668 24 HZ2 LYS 2 HZ2 LYS 2 41.230 59.350 22.824 25 HZ3 LYS 2 HZ3 LYS 2 40.203 60.626 23.267 26 H SER 3 HN SER 3 36.503 54.947 18.113 27 HA SER 3 HA SER 3 36.034 53.110 17.981 28 HB2 SER 3 HB1 SER 3 34.989 53.549 16.142 29 HB3 SER 3 HB2 SER 3 35.842 51.999 15.778 30 H GLN 4 HN GLN 4 37.329 52.605 19.368 31 HA GLN 4 HA GLN 4 37.865 50.983 20.735 32 HB2 GLN 4 HB1 GLN 4 37.582 49.200 18.360 33 HB3 GLN 4 HB2 GLN 4 38.364 48.493 19.840 34 HG2 GLN 4 HG1 GLN 4 35.607 49.852 20.049 35 HG3 GLN 4 HG2 GLN 4 35.841 48.091 19.720 36 HE21 GLN 4 1HE2 GLN 4 36.109 46.702 21.436 37 HE22 GLN 4 2HE2 GLN 4 36.216 47.316 23.054 38 H DHA 5 HN DHA 5 39.333 52.975 20.271 39 HB1 DHA 5 HB1 DHA 5 41.927 51.816 21.722 40 HB2 DHA 5 HB2 DHA 5 43.344 52.460 20.642 41 H PHE 6 HN PHE 6 41.012 51.520 17.532 42 HA PHE 6 HA PHE 6 41.576 53.731 15.873 43 HB2 PHE 6 HB1 PHE 6 43.438 51.893 14.736 44 HB3 PHE 6 HB2 PHE 6 43.780 53.291 15.835 45 HD1 PHE 6 HD1 PHE 6 42.672 49.826 15.707 46 HD2 PHE 6 HD2 PHE 6 44.832 52.675 17.896 47 HE1 PHE 6 HE1 PHE 6 42.871 48.243 17.620 48 HE2 PHE 6 HE2 PHE 6 45.287 50.951 19.650 49 HZ PHE 6 HZ PHE 6 44.110 48.887 19.676 50 H CYS 7 HN CYS 7 39.619 53.577 15.042 51 HA CYS 7 HA CYS 7 39.390 51.284 13.187 52 HB2 CYS 7 HB1 CYS 7 36.958 51.902 12.986 53 HB3 CYS 7 HB2 CYS 7 37.520 51.299 14.598 54 H THR 8 HN THR 8 39.921 54.555 13.564 55 HA THR 8 HA THR 8 41.473 53.621 11.533 56 HB THR 8 HB THR 8 41.584 56.256 10.599 57 HG21 THR 8 1HG2 THR 8 41.460 54.071 9.352 58 HG22 THR 8 2HG2 THR 8 39.655 54.122 9.334 59 HG23 THR 8 3HG2 THR 8 40.607 55.454 8.574 60 HA PRO 9 HA PRO 9 43.629 55.201 14.786 61 HB2 PRO 9 HB1 PRO 9 46.209 55.285 14.110 62 HB3 PRO 9 HB2 PRO 9 45.269 53.766 14.391 63 HG2 PRO 9 HG1 PRO 9 45.766 54.971 11.541 64 HG3 PRO 9 HG2 PRO 9 45.979 53.292 12.192 65 HD2 PRO 9 HD1 PRO 9 43.819 53.868 10.969 66 HD3 PRO 9 HD2 PRO 9 43.601 52.928 12.494 67 H GLY 10 HN GLY 10 43.576 57.065 12.089 68 HA2 GLY 10 HA1 GLY 10 44.146 59.553 13.618 69 HA3 GLY 10 HA2 GLY 10 44.685 59.382 11.885 70 H CYS 11 HN CYS 11 41.714 58.252 13.291 71 HA CYS 11 HA CYS 11 40.734 58.507 10.817 72 HB2 CYS 11 HB1 CYS 11 39.668 57.308 13.192 73 HB3 CYS 11 HB2 CYS 11 38.396 58.132 12.195 74 H VAL 12 HN VAL 12 38.417 61.541 11.849 75 HA VAL 12 HA VAL 12 40.979 61.637 12.868 76 HB VAL 12 HB VAL 12 40.358 63.450 14.130 77 HG11 VAL 12 1HG1 VAL 12 40.669 63.804 11.764 78 HG12 VAL 12 2HG1 VAL 12 38.976 63.297 11.427 79 HG13 VAL 12 3HG1 VAL 12 39.290 64.762 12.423 80 HG21 VAL 12 1HG2 VAL 12 37.841 64.147 14.303 81 HG22 VAL 12 2HG2 VAL 12 37.434 62.538 13.622 82 HG23 VAL 12 3HG2 VAL 12 38.269 62.660 15.209 83 H THR 13 HN THR 13 41.804 61.355 15.039 84 HA THR 13 HA THR 13 39.816 60.242 16.861 85 HB THR 13 HB THR 13 41.777 59.199 18.173 86 HG21 THR 13 1HG2 THR 13 41.645 57.252 16.764 87 HG22 THR 13 2HG2 THR 13 40.236 58.128 16.067 88 HG23 THR 13 3HG2 THR 13 41.842 58.200 15.247 89 H GLY 14 HN GLY 14 40.556 62.648 15.856 90 HA2 GLY 14 HA1 GLY 14 40.112 64.757 16.448 91 HA3 GLY 14 HA2 GLY 14 39.617 63.965 18.011 92 H VAL 15 HN VAL 15 42.680 63.220 17.599 93 HA VAL 15 HA VAL 15 43.886 65.289 19.170 94 HB VAL 15 HB VAL 15 44.199 62.890 19.423 95 HG11 VAL 15 1HG1 VAL 15 44.647 62.125 17.297 96 HG12 VAL 15 2HG1 VAL 15 46.064 63.202 17.057 97 HG13 VAL 15 3HG1 VAL 15 46.147 61.851 18.247 98 HG21 VAL 15 1HG2 VAL 15 46.551 63.337 20.172 99 HG22 VAL 15 2HG2 VAL 15 46.631 64.886 19.253 100 HG23 VAL 15 3HG2 VAL 15 45.548 64.736 20.686 101 H LEU 16 HN LEU 16 45.070 66.068 15.444 102 HA LEU 16 HA LEU 16 42.623 65.124 15.584 103 HB2 LEU 16 HB1 LEU 16 44.541 66.106 13.487 104 HB3 LEU 16 HB2 LEU 16 43.089 65.136 13.012 105 HG LEU 16 HG LEU 16 41.558 66.575 14.478 106 HD11 LEU 16 1HD1 LEU 16 43.249 67.819 15.882 107 HD12 LEU 16 2HD1 LEU 16 43.987 68.522 14.399 108 HD13 LEU 16 3HD1 LEU 16 42.265 68.887 14.805 109 HD21 LEU 16 1HD2 LEU 16 42.953 67.610 12.060 110 HD22 LEU 16 2HD2 LEU 16 41.490 66.566 12.076 111 HD23 LEU 16 3HD2 LEU 16 41.375 68.280 12.616 112 H GLN 17 HN GLN 17 45.754 64.067 14.749 113 HA GLN 17 HA GLN 17 45.055 61.282 14.186 114 HB2 GLN 17 HB1 GLN 17 46.166 61.362 11.923 115 HB3 GLN 17 HB2 GLN 17 44.826 62.568 12.072 116 HG2 GLN 17 HG1 GLN 17 46.737 64.297 12.426 117 HG3 GLN 17 HG2 GLN 17 47.873 62.894 12.263 118 HE21 GLN 17 1HE2 GLN 17 48.832 64.120 10.341 119 HE22 GLN 17 2HE2 GLN 17 47.988 63.768 8.865 120 H MDH 18 HN MDH 18 47.197 59.906 13.608 121 HB MDH 18 HB1 MDH 18 48.814 57.690 15.575 122 HG1 MDH 18 HG1 MDH 18 50.852 58.220 14.122 123 HG2 MDH 18 HG2 MDH 18 49.748 59.401 13.306 124 HG3 MDH 18 HG3 MDH 18 50.429 59.772 14.930 125 H CYS 19 HN CYS 19 45.891 58.608 16.076 126 HA CYS 19 HA CYS 19 45.806 59.543 18.800 127 HB2 CYS 19 HB1 CYS 19 43.935 57.512 17.469 128 HB3 CYS 19 HB2 CYS 19 43.656 58.553 18.924 129 H PHE 20 HN PHE 20 46.464 56.313 17.171 130 HA PHE 20 HA PHE 20 48.005 55.923 19.569 131 HB2 PHE 20 HB1 PHE 20 45.663 54.490 19.260 132 HB3 PHE 20 HB2 PHE 20 46.843 53.451 18.385 133 HD1 PHE 20 HD1 PHE 20 45.690 54.924 21.465 134 HD2 PHE 20 HD2 PHE 20 48.782 52.387 19.746 135 HE1 PHE 20 HE1 PHE 20 46.445 54.115 23.686 136 HE2 PHE 20 HE2 PHE 20 49.432 51.708 21.877 137 HZ PHE 20 HZ PHE 20 48.259 52.563 23.917 138 H ILE 21 HN ILE 21 50.069 54.737 19.405 139 HA ILE 21 HA ILE 21 50.825 54.401 16.728 140 HB ILE 21 HB ILE 21 52.981 55.361 17.357 141 HG12 ILE 21 1HG1 ILE 21 51.637 57.047 19.527 142 HG13 ILE 21 2HG1 ILE 21 52.592 55.545 19.883 143 HG21 ILE 21 1HG2 ILE 21 50.470 57.127 17.191 144 HG22 ILE 21 2HG2 ILE 21 52.074 57.765 16.687 145 HG23 ILE 21 3HG2 ILE 21 51.280 56.462 15.733 146 HD11 ILE 21 HD1 ILE 21 53.830 57.689 20.162 147 HD12 ILE 21 HD2 ILE 21 54.566 56.698 18.852 148 HD13 ILE 21 HD3 ILE 21 53.456 58.055 18.445 149 H GLN 22 HN GLN 22 51.910 51.498 17.977 150 HA GLN 22 HA GLN 22 52.603 53.483 15.928 151 HB2 GLN 22 HB1 GLN 22 54.521 52.321 16.867 152 HB3 GLN 22 HB2 GLN 22 53.989 50.810 16.015 153 HG2 GLN 22 HG1 GLN 22 55.612 52.011 14.776 154 HG3 GLN 22 HG2 GLN 22 54.114 52.365 13.836 155 HE21 GLN 22 1HE2 GLN 22 55.572 53.867 12.853 156 HE22 GLN 22 2HE2 GLN 22 56.147 55.330 13.598 157 H THR 23 HN THR 23 50.286 51.194 16.641 158 HA THR 23 HA THR 23 50.208 50.398 14.043 159 HB THR 23 HB THR 23 49.248 49.059 15.846 160 HG21 THR 23 1HG2 THR 23 47.894 51.096 16.699 161 HG22 THR 23 2HG2 THR 23 46.620 50.702 15.491 162 HG23 THR 23 3HG2 THR 23 47.002 49.528 16.793 163 H ALA 24 HN ALA 24 49.766 53.332 14.759 164 HA ALA 24 HA ALA 24 47.966 53.996 12.680 165 HB1 ALA 24 HB1 ALA 24 48.730 55.719 14.360 166 HB2 ALA 24 HB2 ALA 24 50.414 55.659 13.718 167 HB3 ALA 24 HB3 ALA 24 49.074 56.265 12.677 168 H THR 25 HN THR 25 51.229 52.860 12.578 169 HA THR 25 HA THR 25 49.884 51.763 10.307 170 HB THR 25 HB THR 25 52.842 51.772 9.912 171 HG21 THR 25 1HG2 THR 25 52.227 54.182 10.037 172 HG22 THR 25 2HG2 THR 25 52.832 53.557 8.463 173 HG23 THR 25 3HG2 THR 25 51.076 53.886 8.687 174 H CYS 26 HN CYS 26 48.931 50.280 11.118 175 HA CYS 26 HA CYS 26 50.566 48.052 11.401 176 HB2 CYS 26 HB1 CYS 26 49.297 46.977 13.128 177 HB3 CYS 26 HB2 CYS 26 50.282 48.352 13.744 178 H ASN 27 HN ASN 27 49.475 46.423 10.468 179 HA ASN 27 HA ASN 27 48.665 45.767 8.615 180 HB2 ASN 27 HB1 ASN 27 46.709 48.214 8.607 181 HB3 ASN 27 HB2 ASN 27 46.802 47.038 7.229 182 HD21 ASN 27 1HD2 ASN 27 44.932 47.743 9.868 183 HD22 ASN 27 2HD2 ASN 27 44.549 46.154 10.433 184 H CYS 28 HN CYS 28 50.053 48.871 9.169 185 HA CYS 28 HA CYS 28 51.444 48.410 6.732 186 HB2 CYS 28 HB1 CYS 28 52.885 49.778 9.168 187 HB3 CYS 28 HB2 CYS 28 52.987 49.842 7.360 188 H HIS 29 HN HIS 29 52.355 47.862 10.186 189 HA HIS 29 HA HIS 29 52.925 45.200 9.468 190 HB2 HIS 29 HB1 HIS 29 54.916 46.741 9.508 191 HB3 HIS 29 HB2 HIS 29 54.695 46.908 11.305 192 HD2 HIS 29 HD2 HIS 29 57.168 45.500 11.436 193 HE1 HIS 29 HE1 HIS 29 55.487 41.763 10.413 194 HE2 HIS 29 HE2 HIS 29 57.486 42.887 11.470 195 H ILE 30 HN ILE 30 54.029 45.507 12.619 196 HA ILE 30 HA ILE 30 52.035 43.855 13.271 197 HB ILE 30 HB ILE 30 54.167 45.001 15.071 198 HG12 ILE 30 1HG1 ILE 30 55.072 44.072 12.931 199 HG13 ILE 30 2HG1 ILE 30 55.373 43.165 14.465 200 HG21 ILE 30 1HG2 ILE 30 52.430 43.941 16.310 201 HG22 ILE 30 2HG2 ILE 30 52.530 42.430 15.346 202 HG23 ILE 30 3HG2 ILE 30 53.951 42.973 16.314 203 HD11 ILE 30 HD1 ILE 30 55.083 41.629 12.570 204 HD12 ILE 30 HD2 ILE 30 53.558 41.436 13.517 205 HD13 ILE 30 HD3 ILE 30 53.577 42.440 12.017 206 H DHA 31 HN DHA 31 50.381 44.070 14.798 207 HB1 DHA 31 HB1 DHA 31 48.054 45.050 14.000 208 HB2 DHA 31 HB2 DHA 31 47.355 46.106 15.413 209 H LYS 32 HN LYS 32 51.208 47.486 16.560 210 HA LYS 32 HA LYS 32 49.859 47.801 19.122 211 HB2 LYS 32 HB1 LYS 32 52.339 47.990 20.053 212 HB3 LYS 32 HB2 LYS 32 51.370 46.463 19.920 213 HG2 LYS 32 HG1 LYS 32 53.469 45.947 19.363 214 HG3 LYS 32 HG2 LYS 32 52.314 45.731 17.982 215 HD2 LYS 32 HD1 LYS 32 54.478 46.258 17.001 216 HD3 LYS 32 HD2 LYS 32 53.464 47.748 16.901 217 HE2 LYS 32 HE1 LYS 32 55.549 47.422 19.230 218 HE3 LYS 32 HE2 LYS 32 55.866 48.037 17.555 219 HZ1 LYS 32 HZ1 LYS 32 53.577 49.234 18.403 220 HZ2 LYS 32 HZ2 LYS 32 54.656 49.352 19.708 221 HZ3 LYS 32 HZ3 LYS 32 55.115 49.930 18.184 Start of MODEL 2 1 H1 TRP 1 H1 TRP 1 35.426 60.500 14.605 2 H2 TRP 1 H2 TRP 1 36.966 59.760 14.575 3 H3 TRP 1 H3 TRP 1 35.726 59.180 13.565 4 HA TRP 1 HA TRP 1 35.306 59.170 16.405 5 HB2 TRP 1 HB1 TRP 1 34.606 57.050 14.325 6 HB3 TRP 1 HB2 TRP 1 34.126 57.090 16.065 7 HD1 TRP 1 HD1 TRP 1 32.736 58.360 12.815 8 HE1 TRP 1 HE1 TRP 1 30.656 59.480 13.325 9 HE3 TRP 1 HE3 TRP 1 33.676 59.150 17.765 10 HZ2 TRP 1 HZ2 TRP 1 29.656 61.100 15.615 11 HZ3 TRP 1 HZ3 TRP 1 31.976 60.310 19.065 12 HH2 TRP 1 HH2 TRP 1 30.096 61.380 18.005 13 H LYS 2 HN LYS 2 36.316 57.640 17.895 14 HA LYS 2 HA LYS 2 38.936 57.330 17.155 15 HB2 LYS 2 HB1 LYS 2 37.376 55.980 19.455 16 HB3 LYS 2 HB2 LYS 2 39.156 56.290 19.315 17 HG2 LYS 2 HG1 LYS 2 38.766 58.740 19.145 18 HG3 LYS 2 HG2 LYS 2 37.026 58.580 19.625 19 HD2 LYS 2 HD1 LYS 2 37.626 57.710 21.765 20 HD3 LYS 2 HD2 LYS 2 39.376 57.590 21.355 21 HE2 LYS 2 HE1 LYS 2 39.716 59.920 21.375 22 HE3 LYS 2 HE2 LYS 2 37.966 60.250 21.695 23 HZ1 LYS 2 HZ1 LYS 2 39.086 60.320 23.755 24 HZ2 LYS 2 HZ2 LYS 2 38.326 58.800 23.665 25 HZ3 LYS 2 HZ3 LYS 2 39.996 58.930 23.385 26 H SER 3 HN SER 3 36.396 54.900 17.305 27 HA SER 3 HA SER 3 36.456 52.800 17.375 28 HB2 SER 3 HB1 SER 3 35.656 53.190 15.155 29 HB3 SER 3 HB2 SER 3 36.706 51.720 15.215 30 H GLN 4 HN GLN 4 37.616 52.690 19.025 31 HA GLN 4 HA GLN 4 38.916 51.770 20.445 32 HB2 GLN 4 HB1 GLN 4 39.836 49.950 18.175 33 HB3 GLN 4 HB2 GLN 4 40.126 49.630 19.925 34 HG2 GLN 4 HG1 GLN 4 37.266 50.000 18.985 35 HG3 GLN 4 HG2 GLN 4 38.046 48.380 18.815 36 HE21 GLN 4 1HE2 GLN 4 39.536 47.930 20.975 37 HE22 GLN 4 2HE2 GLN 4 38.556 48.030 22.395 38 H DHA 5 HN DHA 5 39.856 53.730 18.305 39 HB1 DHA 5 HB1 DHA 5 41.486 55.360 20.385 40 HB2 DHA 5 HB2 DHA 5 42.986 55.970 19.405 41 H PHE 6 HN PHE 6 41.016 52.960 16.535 42 HA PHE 6 HA PHE 6 42.726 53.850 14.615 43 HB2 PHE 6 HB1 PHE 6 44.166 51.580 14.375 44 HB3 PHE 6 HB2 PHE 6 44.626 52.860 15.555 45 HD1 PHE 6 HD1 PHE 6 42.456 49.810 15.735 46 HD2 PHE 6 HD2 PHE 6 45.236 52.440 17.505 47 HE1 PHE 6 HE1 PHE 6 42.326 48.580 17.835 48 HE2 PHE 6 HE2 PHE 6 45.096 51.230 19.625 49 HZ PHE 6 HZ PHE 6 43.336 49.390 19.835 50 H CYS 7 HN CYS 7 40.486 53.860 14.155 51 HA CYS 7 HA CYS 7 40.086 51.430 12.445 52 HB2 CYS 7 HB1 CYS 7 37.606 51.820 12.745 53 HB3 CYS 7 HB2 CYS 7 38.536 51.420 14.245 54 H THR 8 HN THR 8 39.776 54.900 12.975 55 HA THR 8 HA THR 8 41.636 54.560 10.895 56 HB THR 8 HB THR 8 41.446 57.140 10.325 57 HG21 THR 8 1HG2 THR 8 41.436 55.340 8.685 58 HG22 THR 8 2HG2 THR 8 39.656 55.080 8.815 59 HG23 THR 8 3HG2 THR 8 40.286 56.660 8.215 60 HA PRO 9 HA PRO 9 43.666 55.500 14.195 61 HB2 PRO 9 HB1 PRO 9 46.356 55.900 13.175 62 HB3 PRO 9 HB2 PRO 9 45.456 54.340 13.115 63 HG2 PRO 9 HG1 PRO 9 45.876 56.500 10.955 64 HG3 PRO 9 HG2 PRO 9 45.946 54.700 10.845 65 HD2 PRO 9 HD1 PRO 9 43.716 56.110 10.125 66 HD3 PRO 9 HD2 PRO 9 43.726 54.390 10.675 67 H GLY 10 HN GLY 10 43.746 58.070 11.825 68 HA2 GLY 10 HA1 GLY 10 44.086 59.970 14.005 69 HA3 GLY 10 HA2 GLY 10 44.716 60.170 12.305 70 H CYS 11 HN CYS 11 41.606 58.730 13.345 71 HA CYS 11 HA CYS 11 40.986 59.130 10.835 72 HB2 CYS 11 HB1 CYS 11 39.966 57.560 12.875 73 HB3 CYS 11 HB2 CYS 11 38.546 58.610 12.485 74 H VAL 12 HN VAL 12 38.356 61.930 11.745 75 HA VAL 12 HA VAL 12 40.736 62.040 13.075 76 HB VAL 12 HB VAL 12 39.766 63.370 14.685 77 HG11 VAL 12 1HG1 VAL 12 40.636 64.250 12.745 78 HG12 VAL 12 2HG1 VAL 12 39.126 64.090 11.775 79 HG13 VAL 12 3HG1 VAL 12 39.186 65.220 13.185 80 HG21 VAL 12 1HG2 VAL 12 37.486 62.110 14.725 81 HG22 VAL 12 2HG2 VAL 12 37.286 63.900 14.745 82 HG23 VAL 12 3HG2 VAL 12 37.096 62.990 13.205 83 H THR 13 HN THR 13 41.356 61.410 15.175 84 HA THR 13 HA THR 13 39.436 59.830 16.905 85 HB THR 13 HB THR 13 41.316 59.140 18.245 86 HG21 THR 13 1HG2 THR 13 42.146 58.320 15.445 87 HG22 THR 13 2HG2 THR 13 41.766 57.230 16.835 88 HG23 THR 13 3HG2 THR 13 40.436 57.900 15.825 89 H GLY 14 HN GLY 14 40.016 62.770 16.165 90 HA2 GLY 14 HA1 GLY 14 39.596 64.680 17.075 91 HA3 GLY 14 HA2 GLY 14 39.186 63.800 18.615 92 H VAL 15 HN VAL 15 42.266 62.960 17.965 93 HA VAL 15 HA VAL 15 43.376 64.700 19.685 94 HB VAL 15 HB VAL 15 43.906 62.450 19.435 95 HG11 VAL 15 1HG1 VAL 15 44.796 62.270 17.145 96 HG12 VAL 15 2HG1 VAL 15 46.016 63.540 17.505 97 HG13 VAL 15 3HG1 VAL 15 46.076 61.960 18.375 98 HG21 VAL 15 1HG2 VAL 15 46.246 63.140 20.335 99 HG22 VAL 15 2HG2 VAL 15 45.646 64.840 20.165 100 HG23 VAL 15 3HG2 VAL 15 44.776 63.670 21.225 101 H LEU 16 HN LEU 16 44.646 66.290 16.165 102 HA LEU 16 HA LEU 16 42.246 64.570 16.095 103 HB2 LEU 16 HB1 LEU 16 43.936 66.180 14.095 104 HB3 LEU 16 HB2 LEU 16 42.426 65.290 13.645 105 HG LEU 16 HG LEU 16 41.126 66.500 15.185 106 HD11 LEU 16 1HD1 LEU 16 43.546 68.440 15.365 107 HD12 LEU 16 2HD1 LEU 16 41.936 68.850 16.065 108 HD13 LEU 16 3HD1 LEU 16 42.926 67.540 16.795 109 HD21 LEU 16 1HD2 LEU 16 42.676 68.400 13.385 110 HD22 LEU 16 2HD2 LEU 16 41.466 67.230 12.725 111 HD23 LEU 16 3HD2 LEU 16 40.926 68.620 13.735 112 H GLN 17 HN GLN 17 45.546 64.460 14.885 113 HA GLN 17 HA GLN 17 44.876 62.010 13.585 114 HB2 GLN 17 HB1 GLN 17 45.096 64.080 12.255 115 HB3 GLN 17 HB2 GLN 17 46.846 64.210 12.695 116 HG2 GLN 17 HG1 GLN 17 47.386 62.040 11.565 117 HG3 GLN 17 HG2 GLN 17 45.616 61.690 11.585 118 HE21 GLN 17 1HE2 GLN 17 44.636 64.090 10.385 119 HE22 GLN 17 2HE2 GLN 17 45.056 64.000 8.705 120 H MDH 18 HN MDH 18 46.316 60.230 13.845 121 HB MDH 18 HB1 MDH 18 48.576 57.970 15.435 122 HG1 MDH 18 HG1 MDH 18 49.876 57.820 13.555 123 HG2 MDH 18 HG2 MDH 18 49.066 59.210 12.745 124 HG3 MDH 18 HG3 MDH 18 50.296 59.510 14.035 125 H CYS 19 HN CYS 19 45.706 58.560 16.085 126 HA CYS 19 HA CYS 19 45.736 59.750 18.675 127 HB2 CYS 19 HB1 CYS 19 43.696 57.790 17.475 128 HB3 CYS 19 HB2 CYS 19 43.546 58.550 19.115 129 H PHE 20 HN PHE 20 47.066 57.100 17.305 130 HA PHE 20 HA PHE 20 47.696 55.810 19.935 131 HB2 PHE 20 HB1 PHE 20 45.676 54.550 18.455 132 HB3 PHE 20 HB2 PHE 20 47.186 54.040 17.605 133 HD1 PHE 20 HD1 PHE 20 45.426 54.420 20.725 134 HD2 PHE 20 HD2 PHE 20 48.746 52.480 18.995 135 HE1 PHE 20 HE1 PHE 20 45.486 52.880 22.625 136 HE2 PHE 20 HE2 PHE 20 49.016 51.200 20.985 137 HZ PHE 20 HZ PHE 20 47.396 51.330 22.815 138 H ILE 21 HN ILE 21 49.806 55.180 20.165 139 HA ILE 21 HA ILE 21 51.366 55.000 17.735 140 HB ILE 21 HB ILE 21 52.206 56.030 20.365 141 HG12 ILE 21 1HG1 ILE 21 52.016 57.370 17.615 142 HG13 ILE 21 2HG1 ILE 21 50.896 57.650 19.015 143 HG21 ILE 21 1HG2 ILE 21 54.526 56.370 19.355 144 HG22 ILE 21 2HG2 ILE 21 54.026 54.650 19.245 145 HG23 ILE 21 3HG2 ILE 21 53.906 55.710 17.795 146 HD11 ILE 21 HD1 ILE 21 52.476 59.490 19.025 147 HD12 ILE 21 HD2 ILE 21 53.096 58.360 20.285 148 HD13 ILE 21 HD3 ILE 21 53.856 58.390 18.655 149 H GLN 22 HN GLN 22 52.516 51.890 18.655 150 HA GLN 22 HA GLN 22 52.216 53.760 16.375 151 HB2 GLN 22 HB1 GLN 22 54.476 52.670 17.335 152 HB3 GLN 22 HB2 GLN 22 53.826 51.220 16.475 153 HG2 GLN 22 HG1 GLN 22 53.786 52.430 14.385 154 HG3 GLN 22 HG2 GLN 22 54.266 54.010 15.115 155 HE21 GLN 22 1HE2 GLN 22 56.456 54.450 15.385 156 HE22 GLN 22 2HE2 GLN 22 57.676 53.330 14.875 157 H THR 23 HN THR 23 50.626 51.040 17.715 158 HA THR 23 HA THR 23 50.216 50.090 15.175 159 HB THR 23 HB THR 23 50.166 48.660 17.065 160 HG21 THR 23 1HG2 THR 23 48.416 48.410 18.615 161 HG22 THR 23 2HG2 THR 23 48.776 50.170 18.525 162 HG23 THR 23 3HG2 THR 23 47.326 49.500 17.685 163 H ALA 24 HN ALA 24 49.426 52.740 15.845 164 HA ALA 24 HA ALA 24 46.966 53.000 14.205 165 HB1 ALA 24 HB1 ALA 24 47.726 55.060 15.315 166 HB2 ALA 24 HB2 ALA 24 49.396 54.880 14.685 167 HB3 ALA 24 HB3 ALA 24 48.056 55.300 13.565 168 H THR 25 HN THR 25 50.516 52.670 13.465 169 HA THR 25 HA THR 25 49.396 51.140 11.305 170 HB THR 25 HB THR 25 52.246 51.490 11.055 171 HG21 THR 25 1HG2 THR 25 51.246 53.850 11.455 172 HG22 THR 25 2HG2 THR 25 51.936 53.680 9.795 173 HG23 THR 25 3HG2 THR 25 50.146 53.590 10.045 174 H CYS 26 HN CYS 26 48.636 49.670 12.795 175 HA CYS 26 HA CYS 26 50.526 47.410 12.605 176 HB2 CYS 26 HB1 CYS 26 49.616 46.300 14.545 177 HB3 CYS 26 HB2 CYS 26 50.486 47.840 14.925 178 H ASN 27 HN ASN 27 49.256 45.570 11.895 179 HA ASN 27 HA ASN 27 48.726 45.010 9.995 180 HB2 ASN 27 HB1 ASN 27 46.406 46.030 10.885 181 HB3 ASN 27 HB2 ASN 27 46.446 47.030 9.375 182 HD21 ASN 27 1HD2 ASN 27 46.936 45.890 7.355 183 HD22 ASN 27 2HD2 ASN 27 46.286 44.310 7.055 184 H CYS 28 HN CYS 28 49.786 48.230 10.505 185 HA CYS 28 HA CYS 28 50.856 48.320 7.815 186 HB2 CYS 28 HB1 CYS 28 51.976 49.360 10.435 187 HB3 CYS 28 HB2 CYS 28 52.686 49.780 8.825 188 H HIS 29 HN HIS 29 53.356 46.840 10.455 189 HA HIS 29 HA HIS 29 51.046 45.140 9.955 190 HB2 HIS 29 HB1 HIS 29 53.056 44.470 8.495 191 HB3 HIS 29 HB2 HIS 29 53.946 44.270 10.065 192 HD2 HIS 29 HD2 HIS 29 54.336 41.590 9.785 193 HE1 HIS 29 HE1 HIS 29 50.246 40.440 9.535 194 HE2 HIS 29 HE2 HIS 29 52.516 39.560 9.575 195 H ILE 30 HN ILE 30 54.006 45.470 12.145 196 HA ILE 30 HA ILE 30 52.576 43.610 13.715 197 HB ILE 30 HB ILE 30 55.156 45.030 14.165 198 HG12 ILE 30 1HG1 ILE 30 55.146 43.650 12.035 199 HG13 ILE 30 2HG1 ILE 30 56.266 43.030 13.305 200 HG21 ILE 30 1HG2 ILE 30 54.526 44.110 16.365 201 HG22 ILE 30 2HG2 ILE 30 53.886 42.630 15.565 202 HG23 ILE 30 3HG2 ILE 30 55.646 42.970 15.535 203 HD11 ILE 30 HD1 ILE 30 54.956 41.220 11.945 204 HD12 ILE 30 HD2 ILE 30 54.866 41.220 13.745 205 HD13 ILE 30 HD3 ILE 30 53.486 41.860 12.775 206 H DHA 31 HN DHA 31 51.846 43.540 15.555 207 HB1 DHA 31 HB1 DHA 31 49.626 43.500 16.275 208 HB2 DHA 31 HB2 DHA 31 49.226 44.430 17.875 209 H LYS 32 HN LYS 32 52.426 47.330 16.755 210 HA LYS 32 HA LYS 32 53.116 47.360 19.615 211 HB2 LYS 32 HB1 LYS 32 55.396 48.290 18.655 212 HB3 LYS 32 HB2 LYS 32 55.126 46.500 18.655 213 HG2 LYS 32 HG1 LYS 32 56.286 47.280 16.625 214 HG3 LYS 32 HG2 LYS 32 54.786 46.290 16.395 215 HD2 LYS 32 HD1 LYS 32 53.676 48.630 16.005 216 HD3 LYS 32 HD2 LYS 32 55.316 49.330 16.345 217 HE2 LYS 32 HE1 LYS 32 56.186 48.410 14.115 218 HE3 LYS 32 HE2 LYS 32 54.586 47.610 13.845 219 HZ1 LYS 32 HZ1 LYS 32 54.936 49.680 12.715 220 HZ2 LYS 32 HZ2 LYS 32 53.586 49.760 13.755 221 HZ3 LYS 32 HZ3 LYS 32 55.076 50.420 14.245 Start of MODEL 3 1 H1 TRP 1 H1 TRP 1 35.695 59.257 14.124 2 H2 TRP 1 H2 TRP 1 34.930 60.531 14.942 3 H3 TRP 1 H3 TRP 1 36.581 60.240 15.183 4 HA TRP 1 HA TRP 1 35.083 59.236 16.986 5 HB2 TRP 1 HB1 TRP 1 34.650 57.402 14.563 6 HB3 TRP 1 HB2 TRP 1 34.375 57.005 16.309 7 HD1 TRP 1 HD1 TRP 1 32.618 58.527 13.257 8 HE1 TRP 1 HE1 TRP 1 30.294 59.271 13.914 9 HE3 TRP 1 HE3 TRP 1 33.409 58.730 18.203 10 HZ2 TRP 1 HZ2 TRP 1 28.942 59.952 16.373 11 HZ3 TRP 1 HZ3 TRP 1 31.555 59.481 19.664 12 HH2 TRP 1 HH2 TRP 1 29.429 60.181 18.754 13 H LYS 2 HN LYS 2 36.136 57.840 18.280 14 HA LYS 2 HA LYS 2 38.941 57.244 17.574 15 HB2 LYS 2 HB1 LYS 2 37.369 57.097 20.076 16 HB3 LYS 2 HB2 LYS 2 39.009 56.358 19.959 17 HG2 LYS 2 HG1 LYS 2 39.827 58.557 19.296 18 HG3 LYS 2 HG2 LYS 2 38.175 59.268 19.500 19 HD2 LYS 2 HD1 LYS 2 38.509 58.457 22.104 20 HD3 LYS 2 HD2 LYS 2 40.162 58.083 21.487 21 HE2 LYS 2 HE1 LYS 2 40.425 60.611 21.085 22 HE3 LYS 2 HE2 LYS 2 38.682 60.808 21.523 23 HZ1 LYS 2 HZ1 LYS 2 39.247 60.018 23.716 24 HZ2 LYS 2 HZ2 LYS 2 40.743 59.441 23.173 25 HZ3 LYS 2 HZ3 LYS 2 40.470 61.112 23.266 26 H SER 3 HN SER 3 36.126 55.060 18.279 27 HA SER 3 HA SER 3 36.105 53.016 18.643 28 HB2 SER 3 HB1 SER 3 35.117 52.788 16.677 29 HB3 SER 3 HB2 SER 3 36.432 51.566 16.496 30 H GLN 4 HN GLN 4 37.590 53.393 20.263 31 HA GLN 4 HA GLN 4 38.835 52.128 21.657 32 HB2 GLN 4 HB1 GLN 4 39.641 50.401 19.386 33 HB3 GLN 4 HB2 GLN 4 39.848 50.056 21.146 34 HG2 GLN 4 HG1 GLN 4 37.245 49.863 19.631 35 HG3 GLN 4 HG2 GLN 4 38.472 48.601 20.068 36 HE21 GLN 4 1HE2 GLN 4 36.246 47.848 21.306 37 HE22 GLN 4 2HE2 GLN 4 36.085 48.479 22.904 38 H DHA 5 HN DHA 5 39.696 54.182 19.543 39 HB1 DHA 5 HB1 DHA 5 41.938 55.658 21.186 40 HB2 DHA 5 HB2 DHA 5 43.148 56.064 19.783 41 H PHE 6 HN PHE 6 40.450 53.035 17.620 42 HA PHE 6 HA PHE 6 41.913 53.402 15.448 43 HB2 PHE 6 HB1 PHE 6 42.881 50.885 15.211 44 HB3 PHE 6 HB2 PHE 6 43.756 52.152 16.153 45 HD1 PHE 6 HD1 PHE 6 41.455 49.268 16.713 46 HD2 PHE 6 HD2 PHE 6 44.476 51.827 18.345 47 HE1 PHE 6 HE1 PHE 6 41.190 48.364 19.179 48 HE2 PHE 6 HE2 PHE 6 44.499 50.459 20.370 49 HZ PHE 6 HZ PHE 6 42.720 48.861 20.696 50 H CYS 7 HN CYS 7 40.029 53.749 14.463 51 HA CYS 7 HA CYS 7 39.314 51.361 13.137 52 HB2 CYS 7 HB1 CYS 7 36.785 51.448 13.710 53 HB3 CYS 7 HB2 CYS 7 37.851 51.261 15.168 54 H THR 8 HN THR 8 39.137 54.813 13.705 55 HA THR 8 HA THR 8 40.919 53.986 11.778 56 HB THR 8 HB THR 8 41.110 56.625 11.093 57 HG21 THR 8 1HG2 THR 8 41.279 54.576 9.711 58 HG22 THR 8 2HG2 THR 8 39.476 54.559 9.554 59 HG23 THR 8 3HG2 THR 8 40.433 55.938 8.885 60 HA PRO 9 HA PRO 9 43.355 55.212 15.137 61 HB2 PRO 9 HB1 PRO 9 45.935 54.884 14.173 62 HB3 PRO 9 HB2 PRO 9 44.743 53.632 14.717 63 HG2 PRO 9 HG1 PRO 9 45.215 54.611 11.838 64 HG3 PRO 9 HG2 PRO 9 45.185 52.877 12.345 65 HD2 PRO 9 HD1 PRO 9 43.120 54.276 11.265 66 HD3 PRO 9 HD2 PRO 9 42.629 53.012 12.473 67 H GLY 10 HN GLY 10 43.329 57.205 12.274 68 HA2 GLY 10 HA1 GLY 10 43.612 59.408 14.078 69 HA3 GLY 10 HA2 GLY 10 44.614 59.347 12.567 70 H CYS 11 HN CYS 11 41.463 58.603 13.609 71 HA CYS 11 HA CYS 11 40.537 58.513 11.021 72 HB2 CYS 11 HB1 CYS 11 39.497 57.619 13.442 73 HB3 CYS 11 HB2 CYS 11 38.138 58.503 12.636 74 H VAL 12 HN VAL 12 38.436 61.828 11.815 75 HA VAL 12 HA VAL 12 40.960 61.693 12.895 76 HB VAL 12 HB VAL 12 40.556 63.701 14.120 77 HG11 VAL 12 1HG1 VAL 12 39.238 63.739 11.349 78 HG12 VAL 12 2HG1 VAL 12 39.821 65.165 12.290 79 HG13 VAL 12 3HG1 VAL 12 41.001 63.949 11.684 80 HG21 VAL 12 1HG2 VAL 12 37.762 63.024 13.470 81 HG22 VAL 12 2HG2 VAL 12 38.373 63.471 15.108 82 HG23 VAL 12 3HG2 VAL 12 38.201 64.736 13.836 83 H THR 13 HN THR 13 41.603 61.310 15.067 84 HA THR 13 HA THR 13 39.589 60.131 16.920 85 HB THR 13 HB THR 13 41.473 59.559 18.372 86 HG21 THR 13 1HG2 THR 13 41.494 57.467 16.985 87 HG22 THR 13 2HG2 THR 13 40.082 58.278 16.209 88 HG23 THR 13 3HG2 THR 13 41.728 58.461 15.499 89 H GLY 14 HN GLY 14 40.565 62.839 15.814 90 HA2 GLY 14 HA1 GLY 14 40.175 64.866 16.325 91 HA3 GLY 14 HA2 GLY 14 39.752 64.411 18.043 92 H VAL 15 HN VAL 15 42.424 63.106 17.260 93 HA VAL 15 HA VAL 15 44.032 64.598 18.895 94 HB VAL 15 HB VAL 15 44.456 62.459 16.979 95 HG11 VAL 15 1HG1 VAL 15 46.855 63.381 17.193 96 HG12 VAL 15 2HG1 VAL 15 46.640 63.370 18.983 97 HG13 VAL 15 3HG1 VAL 15 46.645 61.817 18.063 98 HG21 VAL 15 1HG2 VAL 15 43.139 62.227 19.206 99 HG22 VAL 15 2HG2 VAL 15 44.656 61.265 19.337 100 HG23 VAL 15 3HG2 VAL 15 44.548 62.877 20.134 101 H LEU 16 HN LEU 16 45.359 66.143 15.355 102 HA LEU 16 HA LEU 16 42.828 64.918 14.994 103 HB2 LEU 16 HB1 LEU 16 44.974 65.465 12.946 104 HB3 LEU 16 HB2 LEU 16 43.218 65.078 12.709 105 HG LEU 16 HG LEU 16 43.561 67.167 12.197 106 HD11 LEU 16 1HD1 LEU 16 42.104 67.190 14.942 107 HD12 LEU 16 2HD1 LEU 16 41.584 68.078 13.461 108 HD13 LEU 16 3HD1 LEU 16 41.481 66.284 13.527 109 HD21 LEU 16 1HD2 LEU 16 44.111 69.035 13.542 110 HD22 LEU 16 2HD2 LEU 16 44.343 68.038 15.019 111 HD23 LEU 16 3HD2 LEU 16 45.470 67.863 13.633 112 H GLN 17 HN GLN 17 46.214 63.835 14.645 113 HA GLN 17 HA GLN 17 45.305 61.084 14.056 114 HB2 GLN 17 HB1 GLN 17 46.478 60.947 12.087 115 HB3 GLN 17 HB2 GLN 17 45.098 62.107 11.971 116 HG2 GLN 17 HG1 GLN 17 46.368 64.098 11.965 117 HG3 GLN 17 HG2 GLN 17 47.837 63.195 12.513 118 HE21 GLN 17 1HE2 GLN 17 49.299 62.587 10.656 119 HE22 GLN 17 2HE2 GLN 17 48.719 62.732 9.028 120 H MDH 18 HN MDH 18 47.155 59.590 13.695 121 HB MDH 18 HB1 MDH 18 48.860 57.357 15.735 122 HG1 MDH 18 HG1 MDH 18 50.604 57.379 14.572 123 HG2 MDH 18 HG2 MDH 18 50.067 58.330 13.144 124 HG3 MDH 18 HG3 MDH 18 50.761 59.173 14.574 125 H CYS 19 HN CYS 19 45.751 58.550 15.994 126 HA CYS 19 HA CYS 19 45.623 59.433 18.695 127 HB2 CYS 19 HB1 CYS 19 43.609 57.712 17.296 128 HB3 CYS 19 HB2 CYS 19 43.328 58.616 18.843 129 H PHE 20 HN PHE 20 45.811 56.213 17.190 130 HA PHE 20 HA PHE 20 47.257 55.718 19.625 131 HB2 PHE 20 HB1 PHE 20 44.992 54.214 19.504 132 HB3 PHE 20 HB2 PHE 20 45.914 53.343 18.210 133 HD1 PHE 20 HD1 PHE 20 45.678 54.498 21.662 134 HD2 PHE 20 HD2 PHE 20 47.423 51.669 19.058 135 HE1 PHE 20 HE1 PHE 20 46.428 53.134 23.596 136 HE2 PHE 20 HE2 PHE 20 48.211 50.392 21.045 137 HZ PHE 20 HZ PHE 20 47.655 51.148 23.332 138 H ILE 21 HN ILE 21 49.344 54.386 19.243 139 HA ILE 21 HA ILE 21 50.174 54.196 16.567 140 HB ILE 21 HB ILE 21 50.738 56.401 17.110 141 HG12 ILE 21 1HG1 ILE 21 53.481 54.888 17.771 142 HG13 ILE 21 2HG1 ILE 21 52.627 55.057 16.179 143 HG21 ILE 21 1HG2 ILE 21 50.397 56.545 19.441 144 HG22 ILE 21 2HG2 ILE 21 51.639 55.315 19.866 145 HG23 ILE 21 3HG2 ILE 21 52.148 56.931 19.256 146 HD11 ILE 21 HD1 ILE 21 52.561 57.492 16.388 147 HD12 ILE 21 HD2 ILE 21 53.515 57.338 17.903 148 HD13 ILE 21 HD3 ILE 21 54.253 56.869 16.331 149 H GLN 22 HN GLN 22 51.562 51.349 18.005 150 HA GLN 22 HA GLN 22 52.452 53.061 15.692 151 HB2 GLN 22 HB1 GLN 22 53.890 51.282 16.973 152 HB3 GLN 22 HB2 GLN 22 52.949 50.179 15.882 153 HG2 GLN 22 HG1 GLN 22 54.953 50.561 14.863 154 HG3 GLN 22 HG2 GLN 22 53.821 51.604 13.909 155 HE21 GLN 22 1HE2 GLN 22 56.532 52.075 13.655 156 HE22 GLN 22 2HE2 GLN 22 57.122 53.365 14.651 157 H THR 23 HN THR 23 49.823 50.805 16.486 158 HA THR 23 HA THR 23 49.810 49.962 13.962 159 HB THR 23 HB THR 23 48.904 48.687 15.736 160 HG21 THR 23 1HG2 THR 23 47.478 50.559 16.734 161 HG22 THR 23 2HG2 THR 23 46.348 50.399 15.342 162 HG23 THR 23 3HG2 THR 23 46.547 49.033 16.494 163 H ALA 24 HN ALA 24 49.493 53.066 14.649 164 HA ALA 24 HA ALA 24 47.432 53.703 12.758 165 HB1 ALA 24 HB1 ALA 24 48.232 55.463 14.315 166 HB2 ALA 24 HB2 ALA 24 49.915 55.248 13.712 167 HB3 ALA 24 HB3 ALA 24 48.654 55.932 12.630 168 H THR 25 HN THR 25 50.721 52.766 12.592 169 HA THR 25 HA THR 25 49.443 51.612 10.262 170 HB THR 25 HB THR 25 52.415 51.835 9.864 171 HG21 THR 25 1HG2 THR 25 51.723 54.146 10.090 172 HG22 THR 25 2HG2 THR 25 52.231 53.706 8.416 173 HG23 THR 25 3HG2 THR 25 50.491 54.022 8.776 174 H CYS 26 HN CYS 26 48.706 50.091 11.081 175 HA CYS 26 HA CYS 26 50.607 48.038 11.229 176 HB2 CYS 26 HB1 CYS 26 49.143 46.677 12.758 177 HB3 CYS 26 HB2 CYS 26 50.046 47.963 13.645 178 H ASN 27 HN ASN 27 49.425 46.061 10.355 179 HA ASN 27 HA ASN 27 48.910 45.355 8.479 180 HB2 ASN 27 HB1 ASN 27 46.729 46.855 8.803 181 HB3 ASN 27 HB2 ASN 27 47.428 47.862 7.475 182 HD21 ASN 27 1HD2 ASN 27 46.758 47.091 5.415 183 HD22 ASN 27 2HD2 ASN 27 46.135 45.504 5.145 184 H CYS 28 HN CYS 28 49.996 48.775 8.783 185 HA CYS 28 HA CYS 28 51.784 48.379 6.668 186 HB2 CYS 28 HB1 CYS 28 52.649 50.057 9.098 187 HB3 CYS 28 HB2 CYS 28 53.007 50.312 7.343 188 H HIS 29 HN HIS 29 52.058 48.110 10.135 189 HA HIS 29 HA HIS 29 54.293 46.201 9.817 190 HB2 HIS 29 HB1 HIS 29 54.719 48.564 10.796 191 HB3 HIS 29 HB2 HIS 29 53.638 48.125 12.186 192 HD2 HIS 29 HD2 HIS 29 55.074 47.990 14.252 193 HE1 HIS 29 HE1 HIS 29 58.125 45.512 12.586 194 HE2 HIS 29 HE2 HIS 29 57.306 46.708 14.748 195 H ILE 30 HN ILE 30 54.498 45.141 11.740 196 HA ILE 30 HA ILE 30 52.710 43.459 12.982 197 HB ILE 30 HB ILE 30 55.019 44.993 14.181 198 HG12 ILE 30 1HG1 ILE 30 55.787 43.789 12.371 199 HG13 ILE 30 2HG1 ILE 30 56.077 42.759 13.827 200 HG21 ILE 30 1HG2 ILE 30 53.617 44.018 16.083 201 HG22 ILE 30 2HG2 ILE 30 53.277 42.556 15.080 202 HG23 ILE 30 3HG2 ILE 30 54.936 42.849 15.708 203 HD11 ILE 30 HD1 ILE 30 55.536 41.347 11.940 204 HD12 ILE 30 HD2 ILE 30 54.485 41.232 13.388 205 HD13 ILE 30 HD3 ILE 30 53.857 41.985 11.878 206 H DHA 31 HN DHA 31 51.351 43.515 14.286 207 HB1 DHA 31 HB1 DHA 31 48.909 44.365 13.761 208 HB2 DHA 31 HB2 DHA 31 48.083 45.171 15.258 209 H LYS 32 HN LYS 32 51.592 47.201 16.017 210 HA LYS 32 HA LYS 32 50.916 47.005 18.868 211 HB2 LYS 32 HB1 LYS 32 53.364 47.389 19.542 212 HB3 LYS 32 HB2 LYS 32 52.871 45.774 18.901 213 HG2 LYS 32 HG1 LYS 32 55.051 46.460 18.333 214 HG3 LYS 32 HG2 LYS 32 54.005 46.144 16.897 215 HD2 LYS 32 HD1 LYS 32 55.478 47.697 16.281 216 HD3 LYS 32 HD2 LYS 32 53.935 48.616 16.508 217 HE2 LYS 32 HE1 LYS 32 56.563 48.657 18.191 218 HE3 LYS 32 HE2 LYS 32 55.785 50.048 17.338 219 HZ1 LYS 32 HZ1 LYS 32 53.877 49.322 18.801 220 HZ2 LYS 32 HZ2 LYS 32 55.096 48.719 19.813 221 HZ3 LYS 32 HZ3 LYS 32 54.997 50.383 19.513 Start of MODEL 4 1 H1 TRP 1 H1 TRP 1 35.371 61.189 15.367 2 H2 TRP 1 H2 TRP 1 36.905 60.580 14.948 3 H3 TRP 1 H3 TRP 1 35.501 59.873 14.309 4 HA TRP 1 HA TRP 1 35.842 59.839 17.199 5 HB2 TRP 1 HB1 TRP 1 34.140 58.517 15.093 6 HB3 TRP 1 HB2 TRP 1 34.161 57.918 16.806 7 HD1 TRP 1 HD1 TRP 1 31.925 60.079 14.879 8 HE1 TRP 1 HE1 TRP 1 30.490 61.258 16.554 9 HE3 TRP 1 HE3 TRP 1 34.764 59.370 19.037 10 HZ2 TRP 1 HZ2 TRP 1 30.635 62.099 19.339 11 HZ3 TRP 1 HZ3 TRP 1 33.926 60.245 21.224 12 HH2 TRP 1 HH2 TRP 1 31.950 61.440 21.340 13 H LYS 2 HN LYS 2 36.296 57.488 17.952 14 HA LYS 2 HA LYS 2 38.936 57.172 17.030 15 HB2 LYS 2 HB1 LYS 2 37.327 55.959 19.389 16 HB3 LYS 2 HB2 LYS 2 39.120 55.768 19.201 17 HG2 LYS 2 HG1 LYS 2 39.070 58.422 19.136 18 HG3 LYS 2 HG2 LYS 2 37.407 58.234 19.833 19 HD2 LYS 2 HD1 LYS 2 38.480 56.866 21.674 20 HD3 LYS 2 HD2 LYS 2 40.045 57.014 20.786 21 HE2 LYS 2 HE1 LYS 2 39.931 59.546 21.358 22 HE3 LYS 2 HE2 LYS 2 38.335 59.240 22.141 23 HZ1 LYS 2 HZ1 LYS 2 40.141 59.159 23.738 24 HZ2 LYS 2 HZ2 LYS 2 39.461 57.616 23.565 25 HZ3 LYS 2 HZ3 LYS 2 40.975 57.966 22.873 26 H SER 3 HN SER 3 36.184 55.052 17.433 27 HA SER 3 HA SER 3 36.065 52.748 17.198 28 HB2 SER 3 HB1 SER 3 35.146 53.472 15.399 29 HB3 SER 3 HB2 SER 3 36.075 52.013 14.887 30 H GLN 4 HN GLN 4 37.517 52.920 18.792 31 HA GLN 4 HA GLN 4 38.718 51.589 20.274 32 HB2 GLN 4 HB1 GLN 4 39.482 49.844 17.873 33 HB3 GLN 4 HB2 GLN 4 39.721 49.666 19.658 34 HG2 GLN 4 HG1 GLN 4 36.896 49.511 18.457 35 HG3 GLN 4 HG2 GLN 4 37.998 48.163 18.928 36 HE21 GLN 4 1HE2 GLN 4 35.357 49.809 19.917 37 HE22 GLN 4 2HE2 GLN 4 35.508 49.419 21.597 38 H DHA 5 HN DHA 5 39.452 53.648 17.911 39 HB1 DHA 5 HB1 DHA 5 41.526 55.139 20.061 40 HB2 DHA 5 HB2 DHA 5 42.911 55.656 18.874 41 H PHE 6 HN PHE 6 40.448 52.808 16.155 42 HA PHE 6 HA PHE 6 42.251 53.577 14.284 43 HB2 PHE 6 HB1 PHE 6 43.135 51.062 13.842 44 HB3 PHE 6 HB2 PHE 6 44.103 52.248 14.805 45 HD1 PHE 6 HD1 PHE 6 41.809 49.419 14.927 46 HD2 PHE 6 HD2 PHE 6 44.364 51.846 17.084 47 HE1 PHE 6 HE1 PHE 6 41.193 48.175 17.024 48 HE2 PHE 6 HE2 PHE 6 43.698 50.779 19.216 49 HZ PHE 6 HZ PHE 6 42.123 48.944 19.195 50 H CYS 7 HN CYS 7 40.018 53.973 13.487 51 HA CYS 7 HA CYS 7 39.186 51.518 11.968 52 HB2 CYS 7 HB1 CYS 7 36.794 52.061 12.406 53 HB3 CYS 7 HB2 CYS 7 37.765 51.669 13.885 54 H THR 8 HN THR 8 38.753 54.975 12.537 55 HA THR 8 HA THR 8 40.601 54.898 10.231 56 HB THR 8 HB THR 8 40.504 57.505 10.295 57 HG21 THR 8 1HG2 THR 8 38.745 55.546 8.651 58 HG22 THR 8 2HG2 THR 8 39.055 57.267 8.229 59 HG23 THR 8 3HG2 THR 8 40.428 56.104 8.335 60 HA PRO 9 HA PRO 9 42.834 55.624 13.841 61 HB2 PRO 9 HB1 PRO 9 45.484 55.145 13.044 62 HB3 PRO 9 HB2 PRO 9 44.229 53.864 12.809 63 HG2 PRO 9 HG1 PRO 9 44.892 55.932 10.686 64 HG3 PRO 9 HG2 PRO 9 45.067 54.141 10.585 65 HD2 PRO 9 HD1 PRO 9 42.658 55.209 9.768 66 HD3 PRO 9 HD2 PRO 9 42.600 53.831 10.930 67 H GLY 10 HN GLY 10 42.930 57.625 11.276 68 HA2 GLY 10 HA1 GLY 10 43.515 59.818 13.118 69 HA3 GLY 10 HA2 GLY 10 44.163 59.890 11.419 70 H CYS 11 HN CYS 11 41.224 58.635 12.777 71 HA CYS 11 HA CYS 11 39.986 59.346 10.478 72 HB2 CYS 11 HB1 CYS 11 39.225 57.995 12.921 73 HB3 CYS 11 HB2 CYS 11 37.865 59.097 12.484 74 H VAL 12 HN VAL 12 38.359 62.470 12.118 75 HA VAL 12 HA VAL 12 40.961 61.730 13.015 76 HB VAL 12 HB VAL 12 40.825 63.736 14.432 77 HG11 VAL 12 1HG1 VAL 12 41.192 63.999 11.868 78 HG12 VAL 12 2HG1 VAL 12 39.431 64.357 11.840 79 HG13 VAL 12 3HG1 VAL 12 40.546 65.432 12.750 80 HG21 VAL 12 1HG2 VAL 12 38.394 63.684 15.284 81 HG22 VAL 12 2HG2 VAL 12 38.770 65.107 14.223 82 HG23 VAL 12 3HG2 VAL 12 37.843 63.704 13.564 83 H THR 13 HN THR 13 41.622 60.760 14.908 84 HA THR 13 HA THR 13 39.590 60.156 16.874 85 HB THR 13 HB THR 13 41.203 58.997 18.010 86 HG21 THR 13 1HG2 THR 13 41.787 58.207 15.136 87 HG22 THR 13 2HG2 THR 13 41.279 57.179 16.528 88 HG23 THR 13 3HG2 THR 13 40.047 58.142 15.626 89 H GLY 14 HN GLY 14 40.669 62.879 16.119 90 HA2 GLY 14 HA1 GLY 14 40.434 64.860 17.176 91 HA3 GLY 14 HA2 GLY 14 40.085 63.868 18.669 92 H VAL 15 HN VAL 15 42.782 62.871 17.497 93 HA VAL 15 HA VAL 15 44.410 64.448 19.311 94 HB VAL 15 HB VAL 15 44.325 61.887 19.048 95 HG11 VAL 15 1HG1 VAL 15 45.943 60.842 17.557 96 HG12 VAL 15 2HG1 VAL 15 44.884 61.946 16.598 97 HG13 VAL 15 3HG1 VAL 15 46.559 62.453 17.011 98 HG21 VAL 15 1HG2 VAL 15 46.569 61.672 19.860 99 HG22 VAL 15 2HG2 VAL 15 46.898 63.411 19.539 100 HG23 VAL 15 3HG2 VAL 15 45.701 62.942 20.787 101 H LEU 16 HN LEU 16 45.374 65.949 15.871 102 HA LEU 16 HA LEU 16 42.855 64.725 15.849 103 HB2 LEU 16 HB1 LEU 16 44.571 66.181 13.967 104 HB3 LEU 16 HB2 LEU 16 43.159 65.253 13.322 105 HG LEU 16 HG LEU 16 41.699 66.332 14.965 106 HD11 LEU 16 1HD1 LEU 16 42.345 68.511 15.986 107 HD12 LEU 16 2HD1 LEU 16 42.955 67.008 16.793 108 HD13 LEU 16 3HD1 LEU 16 44.091 68.065 15.872 109 HD21 LEU 16 1HD2 LEU 16 41.527 68.466 13.585 110 HD22 LEU 16 2HD2 LEU 16 43.287 68.319 13.209 111 HD23 LEU 16 3HD2 LEU 16 42.108 67.134 12.526 112 H GLN 17 HN GLN 17 46.039 63.976 14.274 113 HA GLN 17 HA GLN 17 44.939 61.487 13.424 114 HB2 GLN 17 HB1 GLN 17 47.153 63.183 12.129 115 HB3 GLN 17 HB2 GLN 17 46.895 61.450 11.660 116 HG2 GLN 17 HG1 GLN 17 44.422 62.200 11.334 117 HG3 GLN 17 HG2 GLN 17 44.851 63.928 11.622 118 HE21 GLN 17 1HE2 GLN 17 45.682 60.907 9.465 119 HE22 GLN 17 2HE2 GLN 17 46.189 61.952 8.184 120 H MDH 18 HN MDH 18 46.088 59.629 13.631 121 HB MDH 18 HB1 MDH 18 48.615 57.282 14.892 122 HG1 MDH 18 HG1 MDH 18 50.220 58.369 13.430 123 HG2 MDH 18 HG2 MDH 18 49.010 57.585 12.349 124 HG3 MDH 18 HG3 MDH 18 48.947 59.367 12.630 125 H CYS 19 HN CYS 19 45.541 57.839 15.661 126 HA CYS 19 HA CYS 19 45.539 58.813 18.410 127 HB2 CYS 19 HB1 CYS 19 43.664 57.152 16.634 128 HB3 CYS 19 HB2 CYS 19 43.366 57.659 18.340 129 H PHE 20 HN PHE 20 46.881 55.954 16.797 130 HA PHE 20 HA PHE 20 47.399 55.236 19.417 131 HB2 PHE 20 HB1 PHE 20 45.605 53.559 18.362 132 HB3 PHE 20 HB2 PHE 20 46.893 53.069 17.186 133 HD1 PHE 20 HD1 PHE 20 45.454 52.805 20.281 134 HD2 PHE 20 HD2 PHE 20 49.020 52.041 18.165 135 HE1 PHE 20 HE1 PHE 20 46.367 51.604 22.307 136 HE2 PHE 20 HE2 PHE 20 49.879 50.733 19.978 137 HZ PHE 20 HZ PHE 20 48.537 50.533 22.075 138 H ILE 21 HN ILE 21 49.527 54.562 19.586 139 HA ILE 21 HA ILE 21 51.177 54.438 17.150 140 HB ILE 21 HB ILE 21 51.999 55.538 19.781 141 HG12 ILE 21 1HG1 ILE 21 52.009 57.076 17.164 142 HG13 ILE 21 2HG1 ILE 21 50.484 56.938 18.122 143 HG21 ILE 21 1HG2 ILE 21 53.970 54.442 18.658 144 HG22 ILE 21 2HG2 ILE 21 53.469 55.221 17.110 145 HG23 ILE 21 3HG2 ILE 21 54.066 56.235 18.478 146 HD11 ILE 21 HD1 ILE 21 53.248 57.879 19.056 147 HD12 ILE 21 HD2 ILE 21 51.830 58.954 18.767 148 HD13 ILE 21 HD3 ILE 21 51.848 57.843 20.187 149 H GLN 22 HN GLN 22 52.166 51.249 18.399 150 HA GLN 22 HA GLN 22 52.816 52.994 16.337 151 HB2 GLN 22 HB1 GLN 22 53.733 50.401 16.933 152 HB3 GLN 22 HB2 GLN 22 52.690 50.257 15.460 153 HG2 GLN 22 HG1 GLN 22 54.996 50.783 14.642 154 HG3 GLN 22 HG2 GLN 22 53.996 52.268 14.465 155 HE21 GLN 22 1HE2 GLN 22 55.781 53.750 14.605 156 HE22 GLN 22 2HE2 GLN 22 56.712 53.929 16.059 157 H THR 23 HN THR 23 50.153 50.872 17.000 158 HA THR 23 HA THR 23 49.931 49.982 14.755 159 HB THR 23 HB THR 23 48.845 49.097 16.752 160 HG21 THR 23 1HG2 THR 23 47.379 51.077 16.979 161 HG22 THR 23 2HG2 THR 23 46.363 50.410 15.651 162 HG23 THR 23 3HG2 THR 23 46.654 49.431 17.133 163 H ALA 24 HN ALA 24 49.384 52.950 14.679 164 HA ALA 24 HA ALA 24 47.464 52.922 12.449 165 HB1 ALA 24 HB1 ALA 24 47.382 55.025 13.769 166 HB2 ALA 24 HB2 ALA 24 49.177 55.181 13.712 167 HB3 ALA 24 HB3 ALA 24 48.196 55.551 12.253 168 H THR 25 HN THR 25 50.896 52.399 12.891 169 HA THR 25 HA THR 25 49.247 50.819 11.518 170 HB THR 25 HB THR 25 51.541 49.859 10.067 171 HG21 THR 25 1HG2 THR 25 52.570 52.190 9.972 172 HG22 THR 25 2HG2 THR 25 51.784 51.731 8.419 173 HG23 THR 25 3HG2 THR 25 50.926 52.805 9.591 174 H CYS 26 HN CYS 26 49.037 49.105 12.200 175 HA CYS 26 HA CYS 26 50.922 47.156 12.713 176 HB2 CYS 26 HB1 CYS 26 49.428 46.226 14.499 177 HB3 CYS 26 HB2 CYS 26 50.181 47.708 15.200 178 H ASN 27 HN ASN 27 49.789 45.279 11.821 179 HA ASN 27 HA ASN 27 48.524 44.411 10.397 180 HB2 ASN 27 HB1 ASN 27 46.348 46.558 10.460 181 HB3 ASN 27 HB2 ASN 27 46.369 45.024 9.496 182 HD21 ASN 27 1HD2 ASN 27 44.660 46.075 12.009 183 HD22 ASN 27 2HD2 ASN 27 44.910 44.736 13.081 184 H CYS 28 HN CYS 28 49.101 47.903 9.835 185 HA CYS 28 HA CYS 28 50.270 47.216 7.283 186 HB2 CYS 28 HB1 CYS 28 51.303 49.654 7.641 187 HB3 CYS 28 HB2 CYS 28 49.580 49.468 7.127 188 H HIS 29 HN HIS 29 51.042 46.410 10.271 189 HA HIS 29 HA HIS 29 53.951 46.320 10.045 190 HB2 HIS 29 HB1 HIS 29 53.540 48.612 10.400 191 HB3 HIS 29 HB2 HIS 29 52.848 48.229 12.031 192 HD2 HIS 29 HD2 HIS 29 54.870 48.802 13.966 193 HE1 HIS 29 HE1 HIS 29 58.146 47.452 11.823 194 HE2 HIS 29 HE2 HIS 29 57.317 48.541 13.946 195 H ILE 30 HN ILE 30 54.801 45.940 12.304 196 HA ILE 30 HA ILE 30 53.479 43.838 13.657 197 HB ILE 30 HB ILE 30 55.661 45.575 14.754 198 HG12 ILE 30 1HG1 ILE 30 56.723 44.998 12.716 199 HG13 ILE 30 2HG1 ILE 30 57.222 43.874 14.044 200 HG21 ILE 30 1HG2 ILE 30 56.247 43.555 16.097 201 HG22 ILE 30 2HG2 ILE 30 54.472 43.786 16.295 202 HG23 ILE 30 3HG2 ILE 30 55.108 42.560 15.130 203 HD11 ILE 30 HD1 ILE 30 55.162 43.095 11.923 204 HD12 ILE 30 HD2 ILE 30 56.916 42.668 11.869 205 HD13 ILE 30 HD3 ILE 30 55.878 42.034 13.203 206 H DHA 31 HN DHA 31 51.807 44.022 14.664 207 HB1 DHA 31 HB1 DHA 31 49.703 43.657 15.176 208 HB2 DHA 31 HB2 DHA 31 48.971 44.233 16.824 209 H LYS 32 HN LYS 32 52.113 47.509 16.643 210 HA LYS 32 HA LYS 32 51.770 47.160 19.475 211 HB2 LYS 32 HB1 LYS 32 54.236 47.671 19.837 212 HB3 LYS 32 HB2 LYS 32 53.541 46.041 19.481 213 HG2 LYS 32 HG1 LYS 32 55.652 46.268 18.585 214 HG3 LYS 32 HG2 LYS 32 54.542 46.069 17.170 215 HD2 LYS 32 HD1 LYS 32 56.313 47.619 16.672 216 HD3 LYS 32 HD2 LYS 32 54.707 48.453 16.767 217 HE2 LYS 32 HE1 LYS 32 56.665 48.327 19.232 218 HE3 LYS 32 HE2 LYS 32 57.058 49.438 17.853 219 HZ1 LYS 32 HZ1 LYS 32 54.496 49.585 19.220 220 HZ2 LYS 32 HZ2 LYS 32 55.909 50.313 19.830 221 HZ3 LYS 32 HZ3 LYS 32 55.305 50.766 18.302 Start of MODEL 5 1 H1 TRP 1 H1 TRP 1 37.050 59.656 14.356 2 H2 TRP 1 H2 TRP 1 35.933 58.955 13.277 3 H3 TRP 1 H3 TRP 1 35.524 60.373 14.124 4 HA TRP 1 HA TRP 1 35.604 59.164 16.203 5 HB2 TRP 1 HB1 TRP 1 34.546 57.240 14.065 6 HB3 TRP 1 HB2 TRP 1 34.197 57.203 15.844 7 HD1 TRP 1 HD1 TRP 1 32.972 59.092 12.592 8 HE1 TRP 1 HE1 TRP 1 31.017 60.626 13.252 9 HE3 TRP 1 HE3 TRP 1 33.033 58.479 17.585 10 HZ2 TRP 1 HZ2 TRP 1 29.903 61.684 15.497 11 HZ3 TRP 1 HZ3 TRP 1 31.423 59.751 18.957 12 HH2 TRP 1 HH2 TRP 1 29.968 61.449 17.938 13 H LYS 2 HN LYS 2 36.103 57.227 17.518 14 HA LYS 2 HA LYS 2 38.822 57.019 17.079 15 HB2 LYS 2 HB1 LYS 2 36.889 56.511 19.260 16 HB3 LYS 2 HB2 LYS 2 38.639 56.100 19.503 17 HG2 LYS 2 HG1 LYS 2 39.251 58.392 18.749 18 HG3 LYS 2 HG2 LYS 2 37.486 58.761 18.796 19 HD2 LYS 2 HD1 LYS 2 37.300 58.236 21.197 20 HD3 LYS 2 HD2 LYS 2 39.014 57.667 21.131 21 HE2 LYS 2 HE1 LYS 2 39.792 60.027 20.577 22 HE3 LYS 2 HE2 LYS 2 38.141 60.664 20.949 23 HZ1 LYS 2 HZ1 LYS 2 39.619 60.825 22.735 24 HZ2 LYS 2 HZ2 LYS 2 38.245 59.920 23.173 25 HZ3 LYS 2 HZ3 LYS 2 39.706 59.127 22.825 26 H SER 3 HN SER 3 36.229 54.695 17.580 27 HA SER 3 HA SER 3 36.230 52.541 18.034 28 HB2 SER 3 HB1 SER 3 35.461 52.488 16.020 29 HB3 SER 3 HB2 SER 3 36.534 51.056 16.293 30 H GLN 4 HN GLN 4 37.161 52.658 19.776 31 HA GLN 4 HA GLN 4 38.514 52.090 21.572 32 HB2 GLN 4 HB1 GLN 4 40.044 50.347 19.829 33 HB3 GLN 4 HB2 GLN 4 39.904 50.412 21.632 34 HG2 GLN 4 HG1 GLN 4 37.664 49.740 19.662 35 HG3 GLN 4 HG2 GLN 4 38.664 48.489 20.493 36 HE21 GLN 4 1HE2 GLN 4 35.727 50.096 20.620 37 HE22 GLN 4 2HE2 GLN 4 35.381 49.998 22.318 38 H DHA 5 HN DHA 5 39.463 53.969 19.181 39 HB1 DHA 5 HB1 DHA 5 40.709 56.238 20.952 40 HB2 DHA 5 HB2 DHA 5 42.225 56.775 19.948 41 H PHE 6 HN PHE 6 40.652 52.941 17.763 42 HA PHE 6 HA PHE 6 42.342 53.427 15.704 43 HB2 PHE 6 HB1 PHE 6 44.266 51.793 16.025 44 HB3 PHE 6 HB2 PHE 6 44.311 53.159 17.216 45 HD1 PHE 6 HD1 PHE 6 43.640 49.613 17.009 46 HD2 PHE 6 HD2 PHE 6 43.986 52.984 19.572 47 HE1 PHE 6 HE1 PHE 6 43.465 48.166 18.936 48 HE2 PHE 6 HE2 PHE 6 43.519 51.573 21.467 49 HZ PHE 6 HZ PHE 6 43.447 49.228 21.224 50 H CYS 7 HN CYS 7 40.000 53.091 15.410 51 HA CYS 7 HA CYS 7 40.119 50.523 13.990 52 HB2 CYS 7 HB1 CYS 7 37.824 50.489 13.566 53 HB3 CYS 7 HB2 CYS 7 38.368 50.553 15.296 54 H THR 8 HN THR 8 40.006 54.118 13.828 55 HA THR 8 HA THR 8 41.744 53.472 11.728 56 HB THR 8 HB THR 8 41.512 55.996 10.936 57 HG21 THR 8 1HG2 THR 8 41.912 54.258 9.473 58 HG22 THR 8 2HG2 THR 8 40.332 53.442 9.766 59 HG23 THR 8 3HG2 THR 8 40.377 55.052 8.960 60 HA PRO 9 HA PRO 9 43.614 55.082 15.193 61 HB2 PRO 9 HB1 PRO 9 46.390 55.361 14.345 62 HB3 PRO 9 HB2 PRO 9 45.621 53.738 14.549 63 HG2 PRO 9 HG1 PRO 9 46.148 55.308 11.922 64 HG3 PRO 9 HG2 PRO 9 46.262 53.544 12.299 65 HD2 PRO 9 HD1 PRO 9 43.968 54.622 11.153 66 HD3 PRO 9 HD2 PRO 9 44.126 53.166 12.206 67 H GLY 10 HN GLY 10 43.660 56.797 12.404 68 HA2 GLY 10 HA1 GLY 10 43.520 59.248 13.934 69 HA3 GLY 10 HA2 GLY 10 44.606 59.276 12.470 70 H CYS 11 HN CYS 11 41.281 58.040 13.323 71 HA CYS 11 HA CYS 11 40.642 58.100 10.736 72 HB2 CYS 11 HB1 CYS 11 39.765 56.988 13.104 73 HB3 CYS 11 HB2 CYS 11 38.235 57.677 12.446 74 H VAL 12 HN VAL 12 38.329 61.077 11.618 75 HA VAL 12 HA VAL 12 40.907 61.091 12.755 76 HB VAL 12 HB VAL 12 40.354 63.119 13.862 77 HG11 VAL 12 1HG1 VAL 12 40.230 64.398 11.550 78 HG12 VAL 12 2HG1 VAL 12 41.217 62.903 11.340 79 HG13 VAL 12 3HG1 VAL 12 39.492 62.924 10.819 80 HG21 VAL 12 1HG2 VAL 12 38.178 64.378 13.278 81 HG22 VAL 12 2HG2 VAL 12 37.640 62.962 12.318 82 HG23 VAL 12 3HG2 VAL 12 37.919 62.794 14.085 83 H THR 13 HN THR 13 41.545 60.927 14.854 84 HA THR 13 HA THR 13 39.492 59.872 16.732 85 HB THR 13 HB THR 13 41.200 59.028 18.172 86 HG21 THR 13 1HG2 THR 13 41.774 57.245 16.533 87 HG22 THR 13 2HG2 THR 13 40.236 57.964 15.915 88 HG23 THR 13 3HG2 THR 13 41.820 58.451 15.194 89 H GLY 14 HN GLY 14 40.731 62.609 15.778 90 HA2 GLY 14 HA1 GLY 14 40.090 64.643 16.264 91 HA3 GLY 14 HA2 GLY 14 39.494 64.133 17.909 92 H VAL 15 HN VAL 15 42.315 62.785 17.702 93 HA VAL 15 HA VAL 15 43.513 64.890 18.994 94 HB VAL 15 HB VAL 15 43.842 62.226 19.169 95 HG11 VAL 15 1HG1 VAL 15 45.127 62.072 16.905 96 HG12 VAL 15 2HG1 VAL 15 46.343 63.202 17.615 97 HG13 VAL 15 3HG1 VAL 15 46.028 61.598 18.391 98 HG21 VAL 15 1HG2 VAL 15 45.312 62.703 20.753 99 HG22 VAL 15 2HG2 VAL 15 46.162 64.044 19.910 100 HG23 VAL 15 3HG2 VAL 15 44.554 64.339 20.667 101 H LEU 16 HN LEU 16 45.199 65.799 15.606 102 HA LEU 16 HA LEU 16 42.594 64.572 15.431 103 HB2 LEU 16 HB1 LEU 16 44.607 65.939 13.463 104 HB3 LEU 16 HB2 LEU 16 43.081 65.119 12.933 105 HG LEU 16 HG LEU 16 42.832 67.037 15.127 106 HD11 LEU 16 1HD1 LEU 16 44.423 68.358 13.478 107 HD12 LEU 16 2HD1 LEU 16 43.108 68.061 12.292 108 HD13 LEU 16 3HD1 LEU 16 42.804 69.107 13.729 109 HD21 LEU 16 1HD2 LEU 16 40.868 67.768 13.833 110 HD22 LEU 16 2HD2 LEU 16 41.209 66.437 12.682 111 HD23 LEU 16 3HD2 LEU 16 40.719 66.053 14.370 112 H GLN 17 HN GLN 17 45.939 63.855 14.653 113 HA GLN 17 HA GLN 17 45.153 61.098 13.965 114 HB2 GLN 17 HB1 GLN 17 47.371 62.709 12.636 115 HB3 GLN 17 HB2 GLN 17 46.721 61.091 12.162 116 HG2 GLN 17 HG1 GLN 17 44.387 62.441 12.156 117 HG3 GLN 17 HG2 GLN 17 45.546 63.805 11.927 118 HE21 GLN 17 1HE2 GLN 17 44.089 60.895 10.341 119 HE22 GLN 17 2HE2 GLN 17 44.673 61.242 8.753 120 H MDH 18 HN MDH 18 46.734 59.405 14.348 121 HB MDH 18 HB1 MDH 18 49.273 57.913 16.635 122 HG1 MDH 18 HG1 MDH 18 51.142 58.484 15.511 123 HG2 MDH 18 HG2 MDH 18 50.216 58.301 13.969 124 HG3 MDH 18 HG3 MDH 18 50.350 59.915 14.758 125 H CYS 19 HN CYS 19 45.607 58.414 16.586 126 HA CYS 19 HA CYS 19 45.600 59.213 19.299 127 HB2 CYS 19 HB1 CYS 19 43.574 57.498 17.754 128 HB3 CYS 19 HB2 CYS 19 43.439 58.575 19.192 129 H PHE 20 HN PHE 20 46.701 56.462 17.723 130 HA PHE 20 HA PHE 20 47.699 55.815 20.398 131 HB2 PHE 20 HB1 PHE 20 45.650 54.338 20.047 132 HB3 PHE 20 HB2 PHE 20 46.420 53.829 18.497 133 HD1 PHE 20 HD1 PHE 20 47.184 54.019 22.116 134 HD2 PHE 20 HD2 PHE 20 47.798 51.970 18.451 135 HE1 PHE 20 HE1 PHE 20 48.657 52.566 23.238 136 HE2 PHE 20 HE2 PHE 20 49.386 50.400 19.632 137 HZ PHE 20 HZ PHE 20 49.761 50.636 21.982 138 H ILE 21 HN ILE 21 49.563 54.461 20.065 139 HA ILE 21 HA ILE 21 50.770 54.508 17.498 140 HB ILE 21 HB ILE 21 52.949 55.357 18.429 141 HG12 ILE 21 1HG1 ILE 21 51.372 56.782 20.620 142 HG13 ILE 21 2HG1 ILE 21 52.097 55.156 20.916 143 HG21 ILE 21 1HG2 ILE 21 50.837 57.542 18.451 144 HG22 ILE 21 2HG2 ILE 21 52.552 57.518 17.895 145 HG23 ILE 21 3HG2 ILE 21 51.273 56.694 16.925 146 HD11 ILE 21 HD1 ILE 21 53.757 57.511 19.936 147 HD12 ILE 21 HD2 ILE 21 53.827 56.786 21.589 148 HD13 ILE 21 HD3 ILE 21 54.305 55.812 20.155 149 H GLN 22 HN GLN 22 52.417 51.644 18.883 150 HA GLN 22 HA GLN 22 52.353 53.581 16.672 151 HB2 GLN 22 HB1 GLN 22 54.611 52.999 17.823 152 HB3 GLN 22 HB2 GLN 22 54.641 51.514 16.791 153 HG2 GLN 22 HG1 GLN 22 55.960 53.328 15.880 154 HG3 GLN 22 HG2 GLN 22 54.547 53.001 14.792 155 HE21 GLN 22 1HE2 GLN 22 55.821 55.369 17.272 156 HE22 GLN 22 2HE2 GLN 22 54.880 56.703 16.689 157 H THR 23 HN THR 23 50.694 50.896 17.150 158 HA THR 23 HA THR 23 50.516 50.284 14.508 159 HB THR 23 HB THR 23 49.713 48.753 16.239 160 HG21 THR 23 1HG2 THR 23 48.430 50.041 17.661 161 HG22 THR 23 2HG2 THR 23 47.352 50.680 16.366 162 HG23 THR 23 3HG2 THR 23 47.297 48.930 16.806 163 H ALA 24 HN ALA 24 50.209 53.125 15.544 164 HA ALA 24 HA ALA 24 48.464 53.863 13.381 165 HB1 ALA 24 HB1 ALA 24 50.375 55.691 14.961 166 HB2 ALA 24 HB2 ALA 24 49.417 56.187 13.518 167 HB3 ALA 24 HB3 ALA 24 48.571 55.619 15.002 168 H THR 25 HN THR 25 51.756 52.984 13.272 169 HA THR 25 HA THR 25 50.242 52.414 10.917 170 HB THR 25 HB THR 25 53.290 51.975 10.624 171 HG21 THR 25 1HG2 THR 25 52.966 54.416 10.803 172 HG22 THR 25 2HG2 THR 25 53.418 53.867 9.145 173 HG23 THR 25 3HG2 THR 25 51.738 54.415 9.489 174 H CYS 26 HN CYS 26 49.145 50.585 11.642 175 HA CYS 26 HA CYS 26 50.661 48.365 11.263 176 HB2 CYS 26 HB1 CYS 26 49.605 47.043 13.108 177 HB3 CYS 26 HB2 CYS 26 50.634 48.350 13.813 178 H ASN 27 HN ASN 27 48.827 46.752 10.409 179 HA ASN 27 HA ASN 27 48.150 46.847 8.350 180 HB2 ASN 27 HB1 ASN 27 46.302 48.417 8.820 181 HB3 ASN 27 HB2 ASN 27 47.368 49.814 8.395 182 HD21 ASN 27 1HD2 ASN 27 46.382 46.584 6.732 183 HD22 ASN 27 2HD2 ASN 27 46.344 47.385 5.197 184 H CYS 28 HN CYS 28 50.407 49.309 9.533 185 HA CYS 28 HA CYS 28 51.947 49.029 7.158 186 HB2 CYS 28 HB1 CYS 28 52.943 49.814 9.943 187 HB3 CYS 28 HB2 CYS 28 53.636 50.136 8.304 188 H HIS 29 HN HIS 29 52.311 47.855 10.583 189 HA HIS 29 HA HIS 29 52.287 45.309 9.659 190 HB2 HIS 29 HB1 HIS 29 54.630 45.520 9.167 191 HB3 HIS 29 HB2 HIS 29 55.112 46.161 10.786 192 HD2 HIS 29 HD2 HIS 29 55.375 44.101 12.737 193 HE1 HIS 29 HE1 HIS 29 54.280 40.906 10.230 194 HE2 HIS 29 HE2 HIS 29 55.113 41.511 12.503 195 H ILE 30 HN ILE 30 52.669 43.901 11.536 196 HA ILE 30 HA ILE 30 50.505 44.180 13.008 197 HB ILE 30 HB ILE 30 52.803 42.463 13.897 198 HG12 ILE 30 1HG1 ILE 30 50.516 41.780 12.097 199 HG13 ILE 30 2HG1 ILE 30 52.127 42.174 11.383 200 HG21 ILE 30 1HG2 ILE 30 51.201 42.479 15.731 201 HG22 ILE 30 2HG2 ILE 30 49.803 42.481 14.594 202 HG23 ILE 30 3HG2 ILE 30 50.853 41.028 14.713 203 HD11 ILE 30 HD1 ILE 30 51.535 39.778 13.120 204 HD12 ILE 30 HD2 ILE 30 51.929 39.867 11.360 205 HD13 ILE 30 HD3 ILE 30 53.137 40.402 12.587 206 H DHA 31 HN DHA 31 49.795 44.542 14.885 207 HB1 DHA 31 HB1 DHA 31 48.028 45.458 15.745 208 HB2 DHA 31 HB2 DHA 31 48.216 46.466 17.344 209 H LYS 32 HN LYS 32 52.021 47.416 15.996 210 HA LYS 32 HA LYS 32 53.046 47.199 18.714 211 HB2 LYS 32 HB1 LYS 32 55.109 48.419 17.969 212 HB3 LYS 32 HB2 LYS 32 54.654 46.929 17.046 213 HG2 LYS 32 HG1 LYS 32 53.923 49.691 15.784 214 HG3 LYS 32 HG2 LYS 32 55.599 49.031 15.877 215 HD2 LYS 32 HD1 LYS 32 54.833 46.781 15.034 216 HD3 LYS 32 HD2 LYS 32 53.322 47.705 14.665 217 HE2 LYS 32 HE1 LYS 32 56.194 48.207 13.659 218 HE3 LYS 32 HE2 LYS 32 54.868 47.528 12.633 219 HZ1 LYS 32 HZ1 LYS 32 55.111 49.655 12.086 220 HZ2 LYS 32 HZ2 LYS 32 53.639 49.692 12.924 221 HZ3 LYS 32 HZ3 LYS 32 55.055 50.248 13.682 Start of MODEL 6 1 H1 TRP 1 H1 TRP 1 33.940 56.157 13.163 2 H2 TRP 1 H2 TRP 1 33.766 57.850 13.259 3 H3 TRP 1 H3 TRP 1 35.320 57.155 13.139 4 HA TRP 1 HA TRP 1 34.036 58.045 15.212 5 HB2 TRP 1 HB1 TRP 1 33.602 55.045 15.274 6 HB3 TRP 1 HB2 TRP 1 33.913 55.882 16.844 7 HD1 TRP 1 HD1 TRP 1 31.183 55.785 14.166 8 HE1 TRP 1 HE1 TRP 1 29.138 56.665 15.345 9 HE3 TRP 1 HE3 TRP 1 33.423 57.691 18.335 10 HZ2 TRP 1 HZ2 TRP 1 28.507 57.969 17.892 11 HZ3 TRP 1 HZ3 TRP 1 32.209 58.805 19.937 12 HH2 TRP 1 HH2 TRP 1 29.740 58.855 19.836 13 H LYS 2 HN LYS 2 35.558 57.446 17.449 14 HA LYS 2 HA LYS 2 38.262 57.229 16.494 15 HB2 LYS 2 HB1 LYS 2 37.450 58.735 18.355 16 HB3 LYS 2 HB2 LYS 2 36.845 57.273 19.243 17 HG2 LYS 2 HG1 LYS 2 38.994 56.395 19.598 18 HG3 LYS 2 HG2 LYS 2 39.801 57.711 18.651 19 HD2 LYS 2 HD1 LYS 2 38.179 57.996 21.186 20 HD3 LYS 2 HD2 LYS 2 39.972 58.161 20.999 21 HE2 LYS 2 HE1 LYS 2 39.834 60.003 19.444 22 HE3 LYS 2 HE2 LYS 2 38.037 60.127 19.585 23 HZ1 LYS 2 HZ1 LYS 2 40.055 60.487 21.580 24 HZ2 LYS 2 HZ2 LYS 2 39.067 61.748 21.009 25 HZ3 LYS 2 HZ3 LYS 2 38.421 60.540 22.024 26 H SER 3 HN SER 3 35.912 54.978 18.048 27 HA SER 3 HA SER 3 36.111 52.823 18.468 28 HB2 SER 3 HB1 SER 3 34.935 52.672 16.559 29 HB3 SER 3 HB2 SER 3 36.191 51.373 16.545 30 H GLN 4 HN GLN 4 37.324 53.183 20.114 31 HA GLN 4 HA GLN 4 38.622 52.580 21.562 32 HB2 GLN 4 HB1 GLN 4 39.583 50.437 19.593 33 HB3 GLN 4 HB2 GLN 4 39.962 50.414 21.369 34 HG2 GLN 4 HG1 GLN 4 37.182 50.256 20.075 35 HG3 GLN 4 HG2 GLN 4 38.136 48.809 20.602 36 HE21 GLN 4 1HE2 GLN 4 37.693 48.077 22.725 37 HE22 GLN 4 2HE2 GLN 4 36.846 48.989 23.938 38 H DHA 5 HN DHA 5 39.528 54.041 19.059 39 HB1 DHA 5 HB1 DHA 5 41.498 55.811 21.037 40 HB2 DHA 5 HB2 DHA 5 42.924 56.153 19.838 41 H PHE 6 HN PHE 6 40.768 52.616 17.796 42 HA PHE 6 HA PHE 6 42.061 53.389 15.321 43 HB2 PHE 6 HB1 PHE 6 43.139 50.901 15.507 44 HB3 PHE 6 HB2 PHE 6 43.941 52.315 16.288 45 HD1 PHE 6 HD1 PHE 6 41.161 49.641 17.039 46 HD2 PHE 6 HD2 PHE 6 44.640 51.845 18.323 47 HE1 PHE 6 HE1 PHE 6 40.967 48.718 19.198 48 HE2 PHE 6 HE2 PHE 6 44.363 50.857 20.545 49 HZ PHE 6 HZ PHE 6 42.541 49.330 21.014 50 H CYS 7 HN CYS 7 39.591 53.633 15.144 51 HA CYS 7 HA CYS 7 39.259 51.300 13.298 52 HB2 CYS 7 HB1 CYS 7 36.792 51.277 13.672 53 HB3 CYS 7 HB2 CYS 7 37.759 51.234 15.195 54 H THR 8 HN THR 8 39.330 54.826 13.807 55 HA THR 8 HA THR 8 40.666 54.166 11.541 56 HB THR 8 HB THR 8 40.886 56.762 10.987 57 HG21 THR 8 1HG2 THR 8 40.735 55.176 9.384 58 HG22 THR 8 2HG2 THR 8 39.017 54.811 9.786 59 HG23 THR 8 3HG2 THR 8 39.440 56.361 8.971 60 HA PRO 9 HA PRO 9 43.221 55.038 14.870 61 HB2 PRO 9 HB1 PRO 9 45.621 54.542 14.043 62 HB3 PRO 9 HB2 PRO 9 44.462 53.144 13.992 63 HG2 PRO 9 HG1 PRO 9 45.157 55.111 11.838 64 HG3 PRO 9 HG2 PRO 9 45.107 53.309 11.630 65 HD2 PRO 9 HD1 PRO 9 43.000 54.991 10.925 66 HD3 PRO 9 HD2 PRO 9 42.653 53.330 11.558 67 H GLY 10 HN GLY 10 43.397 56.895 12.125 68 HA2 GLY 10 HA1 GLY 10 44.238 59.261 13.721 69 HA3 GLY 10 HA2 GLY 10 44.858 58.948 12.029 70 H CYS 11 HN CYS 11 41.519 58.482 13.347 71 HA CYS 11 HA CYS 11 40.675 58.777 10.797 72 HB2 CYS 11 HB1 CYS 11 39.621 58.144 13.373 73 HB3 CYS 11 HB2 CYS 11 38.494 59.352 12.625 74 H VAL 12 HN VAL 12 39.157 62.307 11.478 75 HA VAL 12 HA VAL 12 41.618 61.801 12.726 76 HB VAL 12 HB VAL 12 41.369 63.837 13.918 77 HG11 VAL 12 1HG1 VAL 12 40.444 64.479 11.087 78 HG12 VAL 12 2HG1 VAL 12 41.677 65.288 12.120 79 HG13 VAL 12 3HG1 VAL 12 41.995 63.640 11.479 80 HG21 VAL 12 1HG2 VAL 12 38.476 63.965 12.574 81 HG22 VAL 12 2HG2 VAL 12 38.795 63.622 14.314 82 HG23 VAL 12 3HG2 VAL 12 39.168 65.256 13.630 83 H THR 13 HN THR 13 42.248 61.181 14.747 84 HA THR 13 HA THR 13 40.060 60.436 16.651 85 HB THR 13 HB THR 13 41.666 59.301 17.985 86 HG21 THR 13 1HG2 THR 13 41.738 57.290 16.749 87 HG22 THR 13 2HG2 THR 13 40.491 58.169 15.805 88 HG23 THR 13 3HG2 THR 13 42.182 58.092 15.203 89 H GLY 14 HN GLY 14 41.778 62.956 15.725 90 HA2 GLY 14 HA1 GLY 14 40.887 64.966 16.357 91 HA3 GLY 14 HA2 GLY 14 40.313 64.184 17.901 92 H VAL 15 HN VAL 15 43.246 63.133 17.669 93 HA VAL 15 HA VAL 15 44.483 64.948 19.375 94 HB VAL 15 HB VAL 15 44.392 62.625 19.344 95 HG11 VAL 15 1HG1 VAL 15 44.748 62.120 16.921 96 HG12 VAL 15 2HG1 VAL 15 46.476 62.592 17.094 97 HG13 VAL 15 3HG1 VAL 15 45.862 61.101 17.902 98 HG21 VAL 15 1HG2 VAL 15 45.995 63.401 20.876 99 HG22 VAL 15 2HG2 VAL 15 46.810 62.015 20.051 100 HG23 VAL 15 3HG2 VAL 15 47.218 63.708 19.584 101 H LEU 16 HN LEU 16 45.964 65.926 15.866 102 HA LEU 16 HA LEU 16 43.280 64.912 15.472 103 HB2 LEU 16 HB1 LEU 16 45.467 66.529 14.140 104 HB3 LEU 16 HB2 LEU 16 44.112 65.742 13.222 105 HG LEU 16 HG LEU 16 42.567 66.913 14.880 106 HD11 LEU 16 1HD1 LEU 16 43.654 69.167 15.766 107 HD12 LEU 16 2HD1 LEU 16 44.759 67.849 16.320 108 HD13 LEU 16 3HD1 LEU 16 45.052 68.666 14.734 109 HD21 LEU 16 1HD2 LEU 16 44.192 68.248 12.620 110 HD22 LEU 16 2HD2 LEU 16 42.607 67.381 12.627 111 HD23 LEU 16 3HD2 LEU 16 42.720 69.039 13.310 112 H GLN 17 HN GLN 17 46.540 63.817 14.655 113 HA GLN 17 HA GLN 17 45.370 61.279 14.330 114 HB2 GLN 17 HB1 GLN 17 46.543 60.726 12.238 115 HB3 GLN 17 HB2 GLN 17 45.246 61.966 12.024 116 HG2 GLN 17 HG1 GLN 17 47.412 63.636 12.158 117 HG3 GLN 17 HG2 GLN 17 48.346 62.103 11.964 118 HE21 GLN 17 1HE2 GLN 17 47.140 60.769 9.904 119 HE22 GLN 17 2HE2 GLN 17 47.173 61.750 8.473 120 H MDH 18 HN MDH 18 47.284 59.382 13.793 121 HB MDH 18 HB1 MDH 18 49.437 57.534 15.819 122 HG1 MDH 18 HG1 MDH 18 50.157 58.456 13.178 123 HG2 MDH 18 HG2 MDH 18 50.616 59.841 14.244 124 HG3 MDH 18 HG3 MDH 18 51.327 58.202 14.534 125 H CYS 19 HN CYS 19 46.109 57.981 15.948 126 HA CYS 19 HA CYS 19 45.971 58.968 18.672 127 HB2 CYS 19 HB1 CYS 19 43.833 57.316 17.057 128 HB3 CYS 19 HB2 CYS 19 43.677 58.153 18.652 129 H PHE 20 HN PHE 20 46.549 56.007 17.008 130 HA PHE 20 HA PHE 20 47.731 55.111 19.478 131 HB2 PHE 20 HB1 PHE 20 45.561 53.860 18.812 132 HB3 PHE 20 HB2 PHE 20 46.568 53.163 17.480 133 HD1 PHE 20 HD1 PHE 20 45.950 53.501 21.096 134 HD2 PHE 20 HD2 PHE 20 48.402 51.645 18.201 135 HE1 PHE 20 HE1 PHE 20 47.021 52.129 22.934 136 HE2 PHE 20 HE2 PHE 20 49.199 50.069 19.887 137 HZ PHE 20 HZ PHE 20 48.556 50.387 22.254 138 H ILE 21 HN ILE 21 49.758 54.319 19.449 139 HA ILE 21 HA ILE 21 51.028 54.228 16.846 140 HB ILE 21 HB ILE 21 52.012 55.555 19.284 141 HG12 ILE 21 1HG1 ILE 21 51.285 56.412 16.394 142 HG13 ILE 21 2HG1 ILE 21 50.430 56.835 17.933 143 HG21 ILE 21 1HG2 ILE 21 53.487 55.045 16.609 144 HG22 ILE 21 2HG2 ILE 21 54.210 55.882 18.038 145 HG23 ILE 21 3HG2 ILE 21 53.760 54.144 18.143 146 HD11 ILE 21 HD1 ILE 21 52.500 58.244 18.567 147 HD12 ILE 21 HD2 ILE 21 53.279 57.698 17.039 148 HD13 ILE 21 HD3 ILE 21 51.823 58.753 16.972 149 H GLN 22 HN GLN 22 51.988 51.119 18.028 150 HA GLN 22 HA GLN 22 52.595 53.037 15.971 151 HB2 GLN 22 HB1 GLN 22 54.179 51.164 16.817 152 HB3 GLN 22 HB2 GLN 22 53.116 50.122 15.795 153 HG2 GLN 22 HG1 GLN 22 55.015 50.820 14.362 154 HG3 GLN 22 HG2 GLN 22 53.765 52.050 13.926 155 HE21 GLN 22 1HE2 GLN 22 56.648 51.523 16.084 156 HE22 GLN 22 2HE2 GLN 22 56.938 53.217 16.238 157 H THR 23 HN THR 23 49.846 51.023 16.539 158 HA THR 23 HA THR 23 49.827 50.231 13.811 159 HB THR 23 HB THR 23 49.199 48.773 15.487 160 HG21 THR 23 1HG2 THR 23 47.792 49.974 17.128 161 HG22 THR 23 2HG2 THR 23 46.752 50.559 15.783 162 HG23 THR 23 3HG2 THR 23 46.791 48.807 16.188 163 H ALA 24 HN ALA 24 49.201 53.329 14.918 164 HA ALA 24 HA ALA 24 47.389 53.839 12.726 165 HB1 ALA 24 HB1 ALA 24 47.826 55.413 14.399 166 HB2 ALA 24 HB2 ALA 24 49.594 55.503 14.097 167 HB3 ALA 24 HB3 ALA 24 48.438 56.187 12.893 168 H THR 25 HN THR 25 50.724 52.680 12.611 169 HA THR 25 HA THR 25 49.617 52.081 10.147 170 HB THR 25 HB THR 25 52.605 52.163 9.938 171 HG21 THR 25 1HG2 THR 25 51.817 54.644 9.989 172 HG22 THR 25 2HG2 THR 25 52.278 54.125 8.326 173 HG23 THR 25 3HG2 THR 25 50.545 54.106 8.827 174 H CYS 26 HN CYS 26 48.755 50.501 10.967 175 HA CYS 26 HA CYS 26 50.416 48.334 10.978 176 HB2 CYS 26 HB1 CYS 26 48.961 46.870 12.581 177 HB3 CYS 26 HB2 CYS 26 50.093 48.018 13.410 178 H ASN 27 HN ASN 27 48.583 46.488 10.077 179 HA ASN 27 HA ASN 27 48.219 46.347 7.949 180 HB2 ASN 27 HB1 ASN 27 46.933 49.086 7.737 181 HB3 ASN 27 HB2 ASN 27 47.060 47.819 6.455 182 HD21 ASN 27 1HD2 ASN 27 45.125 49.068 8.639 183 HD22 ASN 27 2HD2 ASN 27 44.028 47.759 8.932 184 H CYS 28 HN CYS 28 49.883 49.467 8.675 185 HA CYS 28 HA CYS 28 51.637 48.948 6.621 186 HB2 CYS 28 HB1 CYS 28 52.633 50.224 9.281 187 HB3 CYS 28 HB2 CYS 28 53.222 50.349 7.577 188 H HIS 29 HN HIS 29 51.763 48.007 10.064 189 HA HIS 29 HA HIS 29 53.903 46.175 9.849 190 HB2 HIS 29 HB1 HIS 29 54.886 48.420 10.190 191 HB3 HIS 29 HB2 HIS 29 53.740 48.824 11.528 192 HD2 HIS 29 HD2 HIS 29 55.090 48.755 13.950 193 HE1 HIS 29 HE1 HIS 29 57.608 45.496 12.923 194 HE2 HIS 29 HE2 HIS 29 56.741 46.904 14.763 195 H ILE 30 HN ILE 30 54.361 45.559 12.366 196 HA ILE 30 HA ILE 30 52.292 44.129 13.156 197 HB ILE 30 HB ILE 30 54.395 45.125 15.006 198 HG12 ILE 30 1HG1 ILE 30 55.731 44.087 13.300 199 HG13 ILE 30 2HG1 ILE 30 55.472 43.006 14.725 200 HG21 ILE 30 1HG2 ILE 30 52.330 42.740 14.989 201 HG22 ILE 30 2HG2 ILE 30 53.845 42.767 15.965 202 HG23 ILE 30 3HG2 ILE 30 52.586 44.028 16.232 203 HD11 ILE 30 HD1 ILE 30 55.224 41.849 12.291 204 HD12 ILE 30 HD2 ILE 30 53.941 41.706 13.561 205 HD13 ILE 30 HD3 ILE 30 53.709 42.819 12.163 206 H DHA 31 HN DHA 31 50.591 44.464 14.080 207 HB1 DHA 31 HB1 DHA 31 48.130 45.103 14.047 208 HB2 DHA 31 HB2 DHA 31 47.574 45.913 15.666 209 H LYS 32 HN LYS 32 51.373 47.627 16.283 210 HA LYS 32 HA LYS 32 50.490 47.614 19.011 211 HB2 LYS 32 HB1 LYS 32 52.765 47.074 19.910 212 HB3 LYS 32 HB2 LYS 32 51.912 45.734 19.049 213 HG2 LYS 32 HG1 LYS 32 54.030 45.541 18.526 214 HG3 LYS 32 HG2 LYS 32 53.244 46.084 16.987 215 HD2 LYS 32 HD1 LYS 32 55.037 47.185 16.676 216 HD3 LYS 32 HD2 LYS 32 53.836 48.378 17.296 217 HE2 LYS 32 HE1 LYS 32 56.075 47.102 19.070 218 HE3 LYS 32 HE2 LYS 32 56.314 48.629 18.117 219 HZ1 LYS 32 HZ1 LYS 32 55.393 49.737 19.759 220 HZ2 LYS 32 HZ2 LYS 32 54.018 49.172 18.944 221 HZ3 LYS 32 HZ3 LYS 32 54.489 48.464 20.413 Start of MODEL 7 1 H1 TRP 1 H1 TRP 1 35.375 60.744 14.881 2 H2 TRP 1 H2 TRP 1 36.991 60.272 15.129 3 H3 TRP 1 H3 TRP 1 36.120 59.643 13.816 4 HA TRP 1 HA TRP 1 35.174 59.478 16.617 5 HB2 TRP 1 HB1 TRP 1 35.057 57.490 14.217 6 HB3 TRP 1 HB2 TRP 1 34.239 57.178 15.799 7 HD1 TRP 1 HD1 TRP 1 33.283 59.480 12.823 8 HE1 TRP 1 HE1 TRP 1 30.825 59.999 13.487 9 HE3 TRP 1 HE3 TRP 1 33.295 58.130 17.775 10 HZ2 TRP 1 HZ2 TRP 1 29.274 60.171 15.669 11 HZ3 TRP 1 HZ3 TRP 1 31.413 58.780 19.104 12 HH2 TRP 1 HH2 TRP 1 29.381 59.734 18.044 13 H LYS 2 HN LYS 2 36.305 58.516 18.331 14 HA LYS 2 HA LYS 2 39.000 57.719 17.701 15 HB2 LYS 2 HB1 LYS 2 37.117 57.285 20.098 16 HB3 LYS 2 HB2 LYS 2 38.924 57.131 20.108 17 HG2 LYS 2 HG1 LYS 2 39.319 59.384 19.549 18 HG3 LYS 2 HG2 LYS 2 37.563 59.831 19.523 19 HD2 LYS 2 HD1 LYS 2 37.599 59.115 22.082 20 HD3 LYS 2 HD2 LYS 2 39.340 58.728 21.743 21 HE2 LYS 2 HE1 LYS 2 39.699 61.226 21.270 22 HE3 LYS 2 HE2 LYS 2 37.903 61.498 21.348 23 HZ1 LYS 2 HZ1 LYS 2 38.019 61.509 23.510 24 HZ2 LYS 2 HZ2 LYS 2 38.959 60.111 23.717 25 HZ3 LYS 2 HZ3 LYS 2 39.708 61.604 23.394 26 H SER 3 HN SER 3 36.267 55.793 18.518 27 HA SER 3 HA SER 3 35.920 53.911 19.205 28 HB2 SER 3 HB1 SER 3 35.272 52.406 18.085 29 HB3 SER 3 HB2 SER 3 36.685 52.316 16.951 30 H GLN 4 HN GLN 4 37.483 53.964 20.912 31 HA GLN 4 HA GLN 4 39.261 53.301 22.150 32 HB2 GLN 4 HB1 GLN 4 38.549 50.814 20.621 33 HB3 GLN 4 HB2 GLN 4 39.571 50.834 22.121 34 HG2 GLN 4 HG1 GLN 4 36.755 52.023 22.194 35 HG3 GLN 4 HG2 GLN 4 37.146 50.266 22.337 36 HE21 GLN 4 1HE2 GLN 4 36.676 50.098 24.407 37 HE22 GLN 4 2HE2 GLN 4 37.702 50.586 25.705 38 H DHA 5 HN DHA 5 39.995 54.374 19.446 39 HB1 DHA 5 HB1 DHA 5 42.829 55.656 20.542 40 HB2 DHA 5 HB2 DHA 5 43.856 55.347 18.986 41 H PHE 6 HN PHE 6 40.259 52.891 17.897 42 HA PHE 6 HA PHE 6 41.031 53.523 15.273 43 HB2 PHE 6 HB1 PHE 6 41.365 50.786 14.595 44 HB3 PHE 6 HB2 PHE 6 42.604 51.946 15.224 45 HD1 PHE 6 HD1 PHE 6 39.801 50.144 17.155 46 HD2 PHE 6 HD2 PHE 6 44.068 50.727 16.382 47 HE1 PHE 6 HE1 PHE 6 40.408 49.201 19.285 48 HE2 PHE 6 HE2 PHE 6 44.512 49.639 18.399 49 HZ PHE 6 HZ PHE 6 42.644 48.754 19.838 50 H CYS 7 HN CYS 7 38.972 54.300 15.701 51 HA CYS 7 HA CYS 7 37.064 52.347 14.604 52 HB2 CYS 7 HB1 CYS 7 36.982 55.414 15.400 53 HB3 CYS 7 HB2 CYS 7 35.872 54.761 14.133 54 H THR 8 HN THR 8 38.857 55.201 13.872 55 HA THR 8 HA THR 8 39.795 53.669 11.840 56 HB THR 8 HB THR 8 40.292 56.262 10.798 57 HG21 THR 8 1HG2 THR 8 39.846 54.385 9.429 58 HG22 THR 8 2HG2 THR 8 38.183 54.136 10.074 59 HG23 THR 8 3HG2 THR 8 38.519 55.520 8.962 60 HA PRO 9 HA PRO 9 42.980 54.461 14.562 61 HB2 PRO 9 HB1 PRO 9 44.903 54.243 12.235 62 HB3 PRO 9 HB2 PRO 9 44.942 53.189 13.705 63 HG2 PRO 9 HG1 PRO 9 44.054 52.169 11.400 64 HG3 PRO 9 HG2 PRO 9 43.069 51.890 12.888 65 HD2 PRO 9 HD1 PRO 9 42.560 53.923 10.685 66 HD3 PRO 9 HD2 PRO 9 41.397 52.910 11.628 67 H GLY 10 HN GLY 10 42.642 56.699 12.149 68 HA2 GLY 10 HA1 GLY 10 44.093 58.746 13.630 69 HA3 GLY 10 HA2 GLY 10 44.633 58.315 11.952 70 H CYS 11 HN CYS 11 41.283 58.162 13.359 71 HA CYS 11 HA CYS 11 40.419 58.280 10.896 72 HB2 CYS 11 HB1 CYS 11 39.328 57.635 13.400 73 HB3 CYS 11 HB2 CYS 11 38.191 58.866 12.715 74 H VAL 12 HN VAL 12 39.065 61.992 11.638 75 HA VAL 12 HA VAL 12 41.367 61.264 12.982 76 HB VAL 12 HB VAL 12 41.197 63.294 14.121 77 HG11 VAL 12 1HG1 VAL 12 40.719 64.858 12.234 78 HG12 VAL 12 2HG1 VAL 12 41.561 63.357 11.682 79 HG13 VAL 12 3HG1 VAL 12 39.796 63.561 11.398 80 HG21 VAL 12 1HG2 VAL 12 38.748 63.176 14.996 81 HG22 VAL 12 2HG2 VAL 12 39.013 64.663 14.011 82 HG23 VAL 12 3HG2 VAL 12 38.192 63.228 13.278 83 H THR 13 HN THR 13 41.909 60.756 15.195 84 HA THR 13 HA THR 13 39.632 59.687 16.684 85 HB THR 13 HB THR 13 41.273 58.699 18.162 86 HG21 THR 13 1HG2 THR 13 41.835 57.937 15.175 87 HG22 THR 13 2HG2 THR 13 41.628 56.842 16.589 88 HG23 THR 13 3HG2 THR 13 40.206 57.717 15.912 89 H GLY 14 HN GLY 14 40.375 62.566 15.875 90 HA2 GLY 14 HA1 GLY 14 39.858 64.352 16.881 91 HA3 GLY 14 HA2 GLY 14 39.589 63.439 18.442 92 H VAL 15 HN VAL 15 42.544 62.529 17.680 93 HA VAL 15 HA VAL 15 43.862 64.418 19.202 94 HB VAL 15 HB VAL 15 44.093 61.929 19.083 95 HG11 VAL 15 1HG1 VAL 15 44.906 61.838 16.581 96 HG12 VAL 15 2HG1 VAL 15 46.463 62.330 17.346 97 HG13 VAL 15 3HG1 VAL 15 45.564 60.899 17.979 98 HG21 VAL 15 1HG2 VAL 15 46.537 63.613 19.438 99 HG22 VAL 15 2HG2 VAL 15 45.148 63.775 20.586 100 HG23 VAL 15 3HG2 VAL 15 46.008 62.193 20.420 101 H LEU 16 HN LEU 16 45.192 65.540 15.593 102 HA LEU 16 HA LEU 16 42.556 64.440 15.447 103 HB2 LEU 16 HB1 LEU 16 44.328 66.161 13.704 104 HB3 LEU 16 HB2 LEU 16 42.955 65.153 13.091 105 HG LEU 16 HG LEU 16 41.383 66.570 14.488 106 HD11 LEU 16 1HD1 LEU 16 43.799 68.354 15.121 107 HD12 LEU 16 2HD1 LEU 16 42.058 68.671 15.466 108 HD13 LEU 16 3HD1 LEU 16 42.899 67.290 16.265 109 HD21 LEU 16 1HD2 LEU 16 43.225 68.006 12.662 110 HD22 LEU 16 2HD2 LEU 16 41.825 67.005 12.135 111 HD23 LEU 16 3HD2 LEU 16 41.551 68.494 13.112 112 H GLN 17 HN GLN 17 45.824 64.058 14.348 113 HA GLN 17 HA GLN 17 45.210 61.460 13.030 114 HB2 GLN 17 HB1 GLN 17 45.712 63.329 11.722 115 HB3 GLN 17 HB2 GLN 17 47.206 63.601 12.699 116 HG2 GLN 17 HG1 GLN 17 48.081 61.334 11.694 117 HG3 GLN 17 HG2 GLN 17 46.568 61.181 10.725 118 HE21 GLN 17 1HE2 GLN 17 49.448 63.422 11.007 119 HE22 GLN 17 2HE2 GLN 17 49.206 63.949 9.376 120 H MDH 18 HN MDH 18 46.973 59.527 13.155 121 HB MDH 18 HB1 MDH 18 48.971 57.321 15.150 122 HG1 MDH 18 HG1 MDH 18 50.732 58.648 14.136 123 HG2 MDH 18 HG2 MDH 18 50.108 57.551 12.852 124 HG3 MDH 18 HG3 MDH 18 49.623 59.288 12.874 125 H CYS 19 HN CYS 19 45.726 57.907 15.483 126 HA CYS 19 HA CYS 19 45.832 58.933 18.221 127 HB2 CYS 19 HB1 CYS 19 43.875 57.138 16.772 128 HB3 CYS 19 HB2 CYS 19 43.697 57.769 18.456 129 H PHE 20 HN PHE 20 46.722 56.112 16.317 130 HA PHE 20 HA PHE 20 47.557 54.777 18.909 131 HB2 PHE 20 HB1 PHE 20 45.667 53.776 17.161 132 HB3 PHE 20 HB2 PHE 20 47.207 53.170 16.405 133 HD1 PHE 20 HD1 PHE 20 45.018 53.205 19.327 134 HD2 PHE 20 HD2 PHE 20 48.751 51.815 17.940 135 HE1 PHE 20 HE1 PHE 20 44.937 51.398 20.966 136 HE2 PHE 20 HE2 PHE 20 48.843 50.233 19.733 137 HZ PHE 20 HZ PHE 20 46.923 50.031 21.350 138 H ILE 21 HN ILE 21 49.424 54.406 19.272 139 HA ILE 21 HA ILE 21 51.255 54.253 16.974 140 HB ILE 21 HB ILE 21 51.662 55.100 19.888 141 HG12 ILE 21 1HG1 ILE 21 51.947 56.666 17.265 142 HG13 ILE 21 2HG1 ILE 21 50.554 56.808 18.399 143 HG21 ILE 21 1HG2 ILE 21 54.107 55.734 19.149 144 HG22 ILE 21 2HG2 ILE 21 53.650 54.025 19.523 145 HG23 ILE 21 3HG2 ILE 21 53.762 54.574 17.808 146 HD11 ILE 21 HD1 ILE 21 52.231 57.537 20.160 147 HD12 ILE 21 HD2 ILE 21 53.425 57.821 18.841 148 HD13 ILE 21 HD3 ILE 21 51.886 58.749 18.870 149 H GLN 22 HN GLN 22 52.118 51.060 18.089 150 HA GLN 22 HA GLN 22 52.811 52.943 16.023 151 HB2 GLN 22 HB1 GLN 22 54.259 51.014 16.786 152 HB3 GLN 22 HB2 GLN 22 53.081 49.903 15.990 153 HG2 GLN 22 HG1 GLN 22 54.900 50.186 14.496 154 HG3 GLN 22 HG2 GLN 22 53.527 51.163 13.847 155 HE21 GLN 22 1HE2 GLN 22 56.251 51.737 16.322 156 HE22 GLN 22 2HE2 GLN 22 57.086 52.845 15.294 157 H THR 23 HN THR 23 50.407 50.634 16.527 158 HA THR 23 HA THR 23 50.084 50.224 13.902 159 HB THR 23 HB THR 23 49.929 48.633 15.564 160 HG21 THR 23 1HG2 THR 23 46.964 49.276 15.531 161 HG22 THR 23 2HG2 THR 23 47.571 47.849 16.443 162 HG23 THR 23 3HG2 THR 23 48.111 49.507 16.901 163 H ALA 24 HN ALA 24 48.938 52.925 14.987 164 HA ALA 24 HA ALA 24 47.023 53.041 12.697 165 HB1 ALA 24 HB1 ALA 24 48.633 55.223 14.003 166 HB2 ALA 24 HB2 ALA 24 47.139 55.452 13.031 167 HB3 ALA 24 HB3 ALA 24 47.034 54.716 14.673 168 H THR 25 HN THR 25 50.581 52.759 12.791 169 HA THR 25 HA THR 25 49.716 51.854 10.350 170 HB THR 25 HB THR 25 52.588 52.593 10.591 171 HG21 THR 25 1HG2 THR 25 51.354 54.798 10.681 172 HG22 THR 25 2HG2 THR 25 51.946 54.620 8.985 173 HG23 THR 25 3HG2 THR 25 50.212 54.285 9.375 174 H CYS 26 HN CYS 26 49.176 49.952 11.006 175 HA CYS 26 HA CYS 26 51.340 48.192 11.097 176 HB2 CYS 26 HB1 CYS 26 50.376 46.628 12.755 177 HB3 CYS 26 HB2 CYS 26 50.944 48.189 13.482 178 H ASN 27 HN ASN 27 50.596 46.493 9.968 179 HA ASN 27 HA ASN 27 50.085 46.124 7.963 180 HB2 ASN 27 HB1 ASN 27 47.838 48.217 7.656 181 HB3 ASN 27 HB2 ASN 27 48.431 46.951 6.504 182 HD21 ASN 27 1HD2 ASN 27 46.116 47.586 8.889 183 HD22 ASN 27 2HD2 ASN 27 45.629 45.957 9.200 184 H CYS 28 HN CYS 28 50.818 49.451 8.945 185 HA CYS 28 HA CYS 28 52.765 49.537 6.907 186 HB2 CYS 28 HB1 CYS 28 53.267 50.815 9.613 187 HB3 CYS 28 HB2 CYS 28 53.735 51.381 7.957 188 H HIS 29 HN HIS 29 52.479 47.547 9.595 189 HA HIS 29 HA HIS 29 55.207 46.714 9.885 190 HB2 HIS 29 HB1 HIS 29 55.533 49.035 10.568 191 HB3 HIS 29 HB2 HIS 29 54.223 48.808 11.796 192 HD2 HIS 29 HD2 HIS 29 55.802 48.559 14.237 193 HE1 HIS 29 HE1 HIS 29 58.801 46.098 12.503 194 HE2 HIS 29 HE2 HIS 29 57.956 47.193 14.564 195 H ILE 30 HN ILE 30 55.216 45.756 12.429 196 HA ILE 30 HA ILE 30 52.946 44.024 12.651 197 HB ILE 30 HB ILE 30 55.256 44.535 14.481 198 HG12 ILE 30 1HG1 ILE 30 56.235 44.198 12.421 199 HG13 ILE 30 2HG1 ILE 30 56.376 42.818 13.591 200 HG21 ILE 30 1HG2 ILE 30 54.768 42.058 14.998 201 HG22 ILE 30 2HG2 ILE 30 53.570 43.194 15.724 202 HG23 ILE 30 3HG2 ILE 30 53.130 42.243 14.255 203 HD11 ILE 30 HD1 ILE 30 55.849 41.920 11.200 204 HD12 ILE 30 HD2 ILE 30 54.579 41.554 12.427 205 HD13 ILE 30 HD3 ILE 30 54.363 42.939 11.302 206 H DHA 31 HN DHA 31 51.787 43.741 14.336 207 HB1 DHA 31 HB1 DHA 31 49.245 44.002 13.429 208 HB2 DHA 31 HB2 DHA 31 48.164 44.825 14.759 209 H LYS 32 HN LYS 32 51.567 47.337 15.963 210 HA LYS 32 HA LYS 32 50.533 46.880 18.645 211 HB2 LYS 32 HB1 LYS 32 52.926 46.817 19.398 212 HB3 LYS 32 HB2 LYS 32 52.342 45.285 18.632 213 HG2 LYS 32 HG1 LYS 32 53.643 45.736 16.636 214 HG3 LYS 32 HG2 LYS 32 53.854 47.488 17.064 215 HD2 LYS 32 HD1 LYS 32 54.936 44.957 18.191 216 HD3 LYS 32 HD2 LYS 32 55.918 46.131 17.220 217 HE2 LYS 32 HE1 LYS 32 54.825 46.417 20.090 218 HE3 LYS 32 HE2 LYS 32 56.556 46.664 19.640 219 HZ1 LYS 32 HZ1 LYS 32 55.907 48.580 18.407 220 HZ2 LYS 32 HZ2 LYS 32 54.288 48.528 18.907 221 HZ3 LYS 32 HZ3 LYS 32 55.520 48.660 20.068 Start of MODEL 8 1 H1 TRP 1 H1 TRP 1 35.245 60.274 15.719 2 H2 TRP 1 H2 TRP 1 36.714 59.625 15.157 3 H3 TRP 1 H3 TRP 1 35.256 59.279 14.348 4 HA TRP 1 HA TRP 1 35.338 58.849 17.102 5 HB2 TRP 1 HB1 TRP 1 33.872 57.191 14.980 6 HB3 TRP 1 HB2 TRP 1 33.821 56.973 16.778 7 HD1 TRP 1 HD1 TRP 1 32.161 58.972 14.081 8 HE1 TRP 1 HE1 TRP 1 30.227 60.287 15.138 9 HE3 TRP 1 HE3 TRP 1 33.484 58.156 18.741 10 HZ2 TRP 1 HZ2 TRP 1 29.495 60.945 17.878 11 HZ3 TRP 1 HZ3 TRP 1 32.100 59.164 20.721 12 HH2 TRP 1 HH2 TRP 1 30.291 60.570 20.131 13 H LYS 2 HN LYS 2 36.251 56.745 18.118 14 HA LYS 2 HA LYS 2 38.830 56.635 17.099 15 HB2 LYS 2 HB1 LYS 2 37.503 55.542 19.633 16 HB3 LYS 2 HB2 LYS 2 39.265 55.604 19.225 17 HG2 LYS 2 HG1 LYS 2 39.198 58.077 19.150 18 HG3 LYS 2 HG2 LYS 2 37.478 57.987 19.713 19 HD2 LYS 2 HD1 LYS 2 38.165 56.738 21.772 20 HD3 LYS 2 HD2 LYS 2 39.832 56.587 21.085 21 HE2 LYS 2 HE1 LYS 2 40.226 59.024 21.386 22 HE3 LYS 2 HE2 LYS 2 38.560 59.210 22.060 23 HZ1 LYS 2 HZ1 LYS 2 39.248 57.414 23.746 24 HZ2 LYS 2 HZ2 LYS 2 40.845 57.633 23.201 25 HZ3 LYS 2 HZ3 LYS 2 39.968 58.956 23.811 26 H SER 3 HN SER 3 36.341 54.254 17.300 27 HA SER 3 HA SER 3 36.501 52.046 17.580 28 HB2 SER 3 HB1 SER 3 35.552 52.185 15.729 29 HB3 SER 3 HB2 SER 3 36.760 50.836 15.568 30 H GLN 4 HN GLN 4 38.246 52.216 19.397 31 HA GLN 4 HA GLN 4 38.912 50.412 20.446 32 HB2 GLN 4 HB1 GLN 4 37.884 49.176 17.855 33 HB3 GLN 4 HB2 GLN 4 38.404 48.146 19.248 34 HG2 GLN 4 HG1 GLN 4 36.154 50.335 19.475 35 HG3 GLN 4 HG2 GLN 4 36.083 48.649 18.824 36 HE21 GLN 4 1HE2 GLN 4 36.950 46.909 20.328 37 HE22 GLN 4 2HE2 GLN 4 36.559 47.044 22.018 38 H DHA 5 HN DHA 5 40.883 51.765 18.634 39 HB1 DHA 5 HB1 DHA 5 43.011 51.796 20.525 40 HB2 DHA 5 HB2 DHA 5 44.498 51.711 19.356 41 H PHE 6 HN PHE 6 43.679 51.556 15.438 42 HA PHE 6 HA PHE 6 41.088 52.284 16.577 43 HB2 PHE 6 HB1 PHE 6 43.550 54.036 16.050 44 HB3 PHE 6 HB2 PHE 6 41.874 54.691 15.831 45 HD1 PHE 6 HD1 PHE 6 44.520 54.947 17.729 46 HD2 PHE 6 HD2 PHE 6 40.505 53.922 18.163 47 HE1 PHE 6 HE1 PHE 6 44.676 55.561 20.122 48 HE2 PHE 6 HE2 PHE 6 40.613 54.476 20.571 49 HZ PHE 6 HZ PHE 6 42.690 54.919 21.608 50 H CYS 7 HN CYS 7 40.027 53.542 14.650 51 HA CYS 7 HA CYS 7 40.367 51.293 12.787 52 HB2 CYS 7 HB1 CYS 7 37.841 51.154 12.708 53 HB3 CYS 7 HB2 CYS 7 38.384 50.864 14.410 54 H THR 8 HN THR 8 39.928 54.528 13.300 55 HA THR 8 HA THR 8 41.380 54.311 10.886 56 HB THR 8 HB THR 8 41.002 56.874 10.426 57 HG21 THR 8 1HG2 THR 8 39.657 56.070 8.562 58 HG22 THR 8 2HG2 THR 8 40.843 54.754 8.934 59 HG23 THR 8 3HG2 THR 8 39.120 54.594 9.447 60 HA PRO 9 HA PRO 9 43.759 55.033 14.235 61 HB2 PRO 9 HB1 PRO 9 45.653 55.653 11.855 62 HB3 PRO 9 HB2 PRO 9 46.380 54.913 13.343 63 HG2 PRO 9 HG1 PRO 9 45.780 53.243 11.408 64 HG3 PRO 9 HG2 PRO 9 44.923 52.848 12.949 65 HD2 PRO 9 HD1 PRO 9 43.593 54.230 10.528 66 HD3 PRO 9 HD2 PRO 9 42.989 53.006 11.710 67 H GLY 10 HN GLY 10 43.454 57.242 11.721 68 HA2 GLY 10 HA1 GLY 10 43.766 59.490 13.617 69 HA3 GLY 10 HA2 GLY 10 44.421 59.602 11.920 70 H CYS 11 HN CYS 11 41.340 58.063 13.102 71 HA CYS 11 HA CYS 11 40.168 58.651 10.814 72 HB2 CYS 11 HB1 CYS 11 39.552 57.071 13.176 73 HB3 CYS 11 HB2 CYS 11 38.169 58.202 12.897 74 H VAL 12 HN VAL 12 38.199 61.617 12.358 75 HA VAL 12 HA VAL 12 40.773 61.309 13.229 76 HB VAL 12 HB VAL 12 40.330 63.158 14.851 77 HG11 VAL 12 1HG1 VAL 12 40.487 63.588 12.196 78 HG12 VAL 12 2HG1 VAL 12 38.703 63.782 12.296 79 HG13 VAL 12 3HG1 VAL 12 39.782 64.868 13.248 80 HG21 VAL 12 1HG2 VAL 12 37.803 64.034 14.893 81 HG22 VAL 12 2HG2 VAL 12 37.488 62.580 13.877 82 HG23 VAL 12 3HG2 VAL 12 38.039 62.382 15.582 83 H THR 13 HN THR 13 41.568 60.579 15.249 84 HA THR 13 HA THR 13 39.722 59.302 17.136 85 HB THR 13 HB THR 13 41.721 58.612 18.332 86 HG21 THR 13 1HG2 THR 13 42.080 56.666 16.802 87 HG22 THR 13 2HG2 THR 13 40.471 57.276 16.293 88 HG23 THR 13 3HG2 THR 13 41.945 57.734 15.366 89 H GLY 14 HN GLY 14 40.217 62.094 16.368 90 HA2 GLY 14 HA1 GLY 14 39.828 64.160 17.364 91 HA3 GLY 14 HA2 GLY 14 39.762 63.214 18.922 92 H VAL 15 HN VAL 15 42.414 62.244 17.753 93 HA VAL 15 HA VAL 15 44.198 63.850 19.174 94 HB VAL 15 HB VAL 15 44.488 61.602 17.298 95 HG11 VAL 15 1HG1 VAL 15 46.662 62.328 17.034 96 HG12 VAL 15 2HG1 VAL 15 46.784 62.990 18.704 97 HG13 VAL 15 3HG1 VAL 15 46.772 61.209 18.441 98 HG21 VAL 15 1HG2 VAL 15 43.267 61.366 19.520 99 HG22 VAL 15 2HG2 VAL 15 44.864 60.569 19.726 100 HG23 VAL 15 3HG2 VAL 15 44.621 62.262 20.291 101 H LEU 16 HN LEU 16 44.720 65.601 15.644 102 HA LEU 16 HA LEU 16 42.379 64.106 15.744 103 HB2 LEU 16 HB1 LEU 16 44.064 65.495 13.614 104 HB3 LEU 16 HB2 LEU 16 42.618 64.505 13.157 105 HG LEU 16 HG LEU 16 41.329 66.029 14.700 106 HD11 LEU 16 1HD1 LEU 16 42.334 68.409 14.616 107 HD12 LEU 16 2HD1 LEU 16 42.721 67.422 16.078 108 HD13 LEU 16 3HD1 LEU 16 43.953 67.621 14.777 109 HD21 LEU 16 1HD2 LEU 16 42.861 67.447 12.396 110 HD22 LEU 16 2HD2 LEU 16 41.548 66.241 12.117 111 HD23 LEU 16 3HD2 LEU 16 41.161 67.852 12.825 112 H GLN 17 HN GLN 17 45.603 63.804 14.658 113 HA GLN 17 HA GLN 17 45.250 61.121 13.447 114 HB2 GLN 17 HB1 GLN 17 46.885 61.879 11.730 115 HB3 GLN 17 HB2 GLN 17 45.357 62.847 11.701 116 HG2 GLN 17 HG1 GLN 17 46.444 64.763 12.979 117 HG3 GLN 17 HG2 GLN 17 47.928 63.751 13.156 118 HE21 GLN 17 1HE2 GLN 17 49.265 63.612 11.314 119 HE22 GLN 17 2HE2 GLN 17 48.724 63.969 9.713 120 H MDH 18 HN MDH 18 46.642 59.620 13.579 121 HB MDH 18 HB1 MDH 18 49.349 57.647 14.978 122 HG1 MDH 18 HG1 MDH 18 49.615 59.981 12.920 123 HG2 MDH 18 HG2 MDH 18 50.858 59.273 14.016 124 HG3 MDH 18 HG3 MDH 18 50.198 58.292 12.653 125 H CYS 19 HN CYS 19 45.826 58.623 15.799 126 HA CYS 19 HA CYS 19 45.724 59.251 18.463 127 HB2 CYS 19 HB1 CYS 19 44.254 57.189 16.895 128 HB3 CYS 19 HB2 CYS 19 43.799 57.668 18.584 129 H PHE 20 HN PHE 20 47.056 56.371 16.986 130 HA PHE 20 HA PHE 20 48.526 56.037 19.448 131 HB2 PHE 20 HB1 PHE 20 46.363 54.240 18.994 132 HB3 PHE 20 HB2 PHE 20 47.685 53.478 18.013 133 HD1 PHE 20 HD1 PHE 20 46.941 54.965 21.478 134 HD2 PHE 20 HD2 PHE 20 49.354 52.203 19.148 135 HE1 PHE 20 HE1 PHE 20 47.834 54.337 23.304 136 HE2 PHE 20 HE2 PHE 20 50.544 51.739 21.246 137 HZ PHE 20 HZ PHE 20 49.786 52.585 23.363 138 H ILE 21 HN ILE 21 50.719 54.960 18.987 139 HA ILE 21 HA ILE 21 51.313 54.490 16.243 140 HB ILE 21 HB ILE 21 52.916 56.445 18.089 141 HG12 ILE 21 1HG1 ILE 21 51.152 56.722 15.765 142 HG13 ILE 21 2HG1 ILE 21 50.777 57.513 17.348 143 HG21 ILE 21 1HG2 ILE 21 53.142 55.675 15.075 144 HG22 ILE 21 2HG2 ILE 21 54.277 56.777 15.939 145 HG23 ILE 21 3HG2 ILE 21 54.206 55.033 16.371 146 HD11 ILE 21 HD1 ILE 21 53.128 58.602 15.643 147 HD12 ILE 21 HD2 ILE 21 51.519 59.296 16.038 148 HD13 ILE 21 HD3 ILE 21 52.646 58.836 17.363 149 H GLN 22 HN GLN 22 52.501 51.815 17.999 150 HA GLN 22 HA GLN 22 53.304 53.268 15.617 151 HB2 GLN 22 HB1 GLN 22 54.579 51.397 16.960 152 HB3 GLN 22 HB2 GLN 22 53.643 50.395 15.780 153 HG2 GLN 22 HG1 GLN 22 54.700 51.670 13.906 154 HG3 GLN 22 HG2 GLN 22 55.634 52.617 15.136 155 HE21 GLN 22 1HE2 GLN 22 57.302 51.743 13.501 156 HE22 GLN 22 2HE2 GLN 22 58.097 50.270 13.930 157 H THR 23 HN THR 23 50.252 51.519 16.299 158 HA THR 23 HA THR 23 50.111 50.619 13.758 159 HB THR 23 HB THR 23 48.961 49.702 15.637 160 HG21 THR 23 1HG2 THR 23 48.020 51.655 16.697 161 HG22 THR 23 2HG2 THR 23 47.165 52.166 15.194 162 HG23 THR 23 3HG2 THR 23 46.609 50.711 16.090 163 H ALA 24 HN ALA 24 50.422 53.563 14.390 164 HA ALA 24 HA ALA 24 49.082 54.778 12.087 165 HB1 ALA 24 HB1 ALA 24 51.888 55.237 13.470 166 HB2 ALA 24 HB2 ALA 24 51.355 56.273 12.096 167 HB3 ALA 24 HB3 ALA 24 50.426 56.277 13.636 168 H THR 25 HN THR 25 51.680 52.590 12.351 169 HA THR 25 HA THR 25 50.691 51.937 9.716 170 HB THR 25 HB THR 25 53.556 51.195 10.332 171 HG21 THR 25 1HG2 THR 25 53.602 53.622 10.364 172 HG22 THR 25 2HG2 THR 25 54.222 52.969 8.797 173 HG23 THR 25 3HG2 THR 25 52.577 53.702 8.882 174 H CYS 26 HN CYS 26 49.142 50.990 10.933 175 HA CYS 26 HA CYS 26 50.075 48.294 11.273 176 HB2 CYS 26 HB1 CYS 26 48.292 47.589 12.726 177 HB3 CYS 26 HB2 CYS 26 49.659 48.532 13.438 178 H ASN 27 HN ASN 27 48.474 46.950 10.209 179 HA ASN 27 HA ASN 27 47.885 46.585 8.287 180 HB2 ASN 27 HB1 ASN 27 46.292 48.475 8.254 181 HB3 ASN 27 HB2 ASN 27 47.530 49.566 7.517 182 HD21 ASN 27 1HD2 ASN 27 47.683 49.323 5.170 183 HD22 ASN 27 2HD2 ASN 27 47.002 48.024 4.247 184 H CYS 28 HN CYS 28 50.374 49.130 9.008 185 HA CYS 28 HA CYS 28 51.995 47.974 7.092 186 HB2 CYS 28 HB1 CYS 28 53.156 49.325 9.577 187 HB3 CYS 28 HB2 CYS 28 53.891 49.049 7.950 188 H HIS 29 HN HIS 29 51.574 47.759 10.778 189 HA HIS 29 HA HIS 29 52.650 45.142 10.568 190 HB2 HIS 29 HB1 HIS 29 54.648 46.556 10.790 191 HB3 HIS 29 HB2 HIS 29 53.744 47.632 11.930 192 HD2 HIS 29 HD2 HIS 29 54.988 47.232 14.260 193 HE1 HIS 29 HE1 HIS 29 56.171 43.165 13.664 194 HE2 HIS 29 HE2 HIS 29 56.056 45.138 15.343 195 H ILE 30 HN ILE 30 53.060 44.742 13.155 196 HA ILE 30 HA ILE 30 50.603 43.868 14.103 197 HB ILE 30 HB ILE 30 53.213 44.544 15.451 198 HG12 ILE 30 1HG1 ILE 30 53.385 42.887 13.586 199 HG13 ILE 30 2HG1 ILE 30 53.745 42.364 15.278 200 HG21 ILE 30 1HG2 ILE 30 50.852 42.968 16.612 201 HG22 ILE 30 2HG2 ILE 30 52.536 42.822 17.220 202 HG23 ILE 30 3HG2 ILE 30 51.717 44.435 17.211 203 HD11 ILE 30 HD1 ILE 30 52.526 40.542 14.070 204 HD12 ILE 30 HD2 ILE 30 51.542 41.084 15.477 205 HD13 ILE 30 HD3 ILE 30 51.160 41.684 13.819 206 H DHA 31 HN DHA 31 49.030 44.654 15.244 207 HB1 DHA 31 HB1 DHA 31 46.880 45.754 14.582 208 HB2 DHA 31 HB2 DHA 31 46.389 47.080 15.843 209 H LYS 32 HN LYS 32 50.625 48.151 16.451 210 HA LYS 32 HA LYS 32 49.844 48.392 19.249 211 HB2 LYS 32 HB1 LYS 32 51.946 47.784 19.981 212 HB3 LYS 32 HB2 LYS 32 50.964 46.492 19.189 213 HG2 LYS 32 HG1 LYS 32 53.453 46.302 18.850 214 HG3 LYS 32 HG2 LYS 32 52.525 46.419 17.298 215 HD2 LYS 32 HD1 LYS 32 54.310 47.599 16.776 216 HD3 LYS 32 HD2 LYS 32 53.193 48.930 17.300 217 HE2 LYS 32 HE1 LYS 32 55.575 47.649 18.793 218 HE3 LYS 32 HE2 LYS 32 55.477 49.279 18.032 219 HZ1 LYS 32 HZ1 LYS 32 55.049 49.660 20.291 220 HZ2 LYS 32 HZ2 LYS 32 53.521 49.573 19.566 221 HZ3 LYS 32 HZ3 LYS 32 54.089 48.285 20.508 Start of MODEL 9 1 H1 TRP 1 H1 TRP 1 35.061 59.104 13.828 2 H2 TRP 1 H2 TRP 1 35.196 60.467 14.827 3 H3 TRP 1 H3 TRP 1 36.569 59.539 14.462 4 HA TRP 1 HA TRP 1 35.173 59.302 16.658 5 HB2 TRP 1 HB1 TRP 1 33.939 57.178 14.735 6 HB3 TRP 1 HB2 TRP 1 34.025 57.114 16.533 7 HD1 TRP 1 HD1 TRP 1 32.135 58.910 13.746 8 HE1 TRP 1 HE1 TRP 1 30.514 60.677 14.825 9 HE3 TRP 1 HE3 TRP 1 33.631 58.563 18.555 10 HZ2 TRP 1 HZ2 TRP 1 29.970 61.557 17.403 11 HZ3 TRP 1 HZ3 TRP 1 33.039 60.434 20.096 12 HH2 TRP 1 HH2 TRP 1 30.936 61.703 19.578 13 H LYS 2 HN LYS 2 36.445 57.853 18.049 14 HA LYS 2 HA LYS 2 38.848 56.970 16.902 15 HB2 LYS 2 HB1 LYS 2 37.372 56.061 19.466 16 HB3 LYS 2 HB2 LYS 2 39.029 55.529 18.968 17 HG2 LYS 2 HG1 LYS 2 39.607 58.077 19.004 18 HG3 LYS 2 HG2 LYS 2 37.915 58.341 19.600 19 HD2 LYS 2 HD1 LYS 2 38.449 56.859 21.636 20 HD3 LYS 2 HD2 LYS 2 40.161 56.926 21.062 21 HE2 LYS 2 HE1 LYS 2 39.963 59.489 21.464 22 HE3 LYS 2 HE2 LYS 2 38.263 59.080 21.959 23 HZ1 LYS 2 HZ1 LYS 2 38.947 57.953 23.819 24 HZ2 LYS 2 HZ2 LYS 2 40.509 57.565 23.272 25 HZ3 LYS 2 HZ3 LYS 2 40.152 59.160 23.748 26 H SER 3 HN SER 3 36.096 54.890 17.872 27 HA SER 3 HA SER 3 35.638 53.016 17.681 28 HB2 SER 3 HB1 SER 3 35.044 53.377 15.540 29 HB3 SER 3 HB2 SER 3 35.580 51.659 15.719 30 H GLN 4 HN GLN 4 36.799 52.975 19.661 31 HA GLN 4 HA GLN 4 36.475 51.347 20.942 32 HB2 GLN 4 HB1 GLN 4 36.539 49.580 18.552 33 HB3 GLN 4 HB2 GLN 4 36.515 48.835 20.197 34 HG2 GLN 4 HG1 GLN 4 34.437 50.862 18.962 35 HG3 GLN 4 HG2 GLN 4 34.277 49.062 19.066 36 HE21 GLN 4 1HE2 GLN 4 32.587 51.178 20.152 37 HE22 GLN 4 2HE2 GLN 4 32.433 50.845 21.844 38 H DHA 5 HN DHA 5 38.389 52.389 21.272 39 HB1 DHA 5 HB1 DHA 5 41.217 51.127 22.920 40 HB2 DHA 5 HB2 DHA 5 42.332 52.083 21.724 41 H PHE 6 HN PHE 6 41.198 51.287 18.494 42 HA PHE 6 HA PHE 6 39.663 53.447 17.651 43 HB2 PHE 6 HB1 PHE 6 41.875 54.482 16.308 44 HB3 PHE 6 HB2 PHE 6 41.326 54.944 17.968 45 HD1 PHE 6 HD1 PHE 6 43.513 52.367 16.364 46 HD2 PHE 6 HD2 PHE 6 42.706 54.690 19.887 47 HE1 PHE 6 HE1 PHE 6 45.338 51.223 17.558 48 HE2 PHE 6 HE2 PHE 6 44.582 53.635 20.969 49 HZ PHE 6 HZ PHE 6 45.533 51.634 19.900 50 H CYS 7 HN CYS 7 39.517 53.351 15.241 51 HA CYS 7 HA CYS 7 39.875 50.479 14.566 52 HB2 CYS 7 HB1 CYS 7 37.636 50.904 13.320 53 HB3 CYS 7 HB2 CYS 7 37.605 50.644 15.108 54 H THR 8 HN THR 8 39.944 53.834 13.645 55 HA THR 8 HA THR 8 41.762 52.834 11.699 56 HB THR 8 HB THR 8 41.262 55.568 10.771 57 HG21 THR 8 1HG2 THR 8 41.701 53.552 9.353 58 HG22 THR 8 2HG2 THR 8 40.087 52.871 9.794 59 HG23 THR 8 3HG2 THR 8 40.206 54.394 8.838 60 HA PRO 9 HA PRO 9 43.551 54.200 14.965 61 HB2 PRO 9 HB1 PRO 9 46.320 54.747 13.689 62 HB3 PRO 9 HB2 PRO 9 45.885 53.656 15.070 63 HG2 PRO 9 HG1 PRO 9 46.159 52.906 12.192 64 HG3 PRO 9 HG2 PRO 9 45.186 52.021 13.437 65 HD2 PRO 9 HD1 PRO 9 44.561 54.108 11.236 66 HD3 PRO 9 HD2 PRO 9 43.747 52.576 11.737 67 H GLY 10 HN GLY 10 43.577 56.503 12.439 68 HA2 GLY 10 HA1 GLY 10 43.562 58.761 14.222 69 HA3 GLY 10 HA2 GLY 10 44.319 58.745 12.554 70 H CYS 11 HN CYS 11 41.327 57.307 13.697 71 HA CYS 11 HA CYS 11 40.388 57.466 11.150 72 HB2 CYS 11 HB1 CYS 11 39.726 56.133 13.397 73 HB3 CYS 11 HB2 CYS 11 38.231 56.826 12.644 74 H VAL 12 HN VAL 12 38.286 60.650 12.417 75 HA VAL 12 HA VAL 12 41.032 60.561 13.235 76 HB VAL 12 HB VAL 12 40.892 62.654 13.909 77 HG11 VAL 12 1HG1 VAL 12 40.296 63.688 12.021 78 HG12 VAL 12 2HG1 VAL 12 40.950 62.077 11.540 79 HG13 VAL 12 3HG1 VAL 12 39.189 62.421 11.393 80 HG21 VAL 12 1HG2 VAL 12 37.854 62.314 13.681 81 HG22 VAL 12 2HG2 VAL 12 38.689 62.556 15.269 82 HG23 VAL 12 3HG2 VAL 12 38.670 63.887 14.051 83 H THR 13 HN THR 13 41.867 60.604 15.308 84 HA THR 13 HA THR 13 39.999 59.658 17.430 85 HB THR 13 HB THR 13 41.976 58.848 18.600 86 HG21 THR 13 1HG2 THR 13 40.831 57.224 17.108 87 HG22 THR 13 2HG2 THR 13 41.661 57.926 15.675 88 HG23 THR 13 3HG2 THR 13 42.581 56.906 16.845 89 H GLY 14 HN GLY 14 40.644 62.245 16.189 90 HA2 GLY 14 HA1 GLY 14 39.822 64.152 17.032 91 HA3 GLY 14 HA2 GLY 14 40.051 63.513 18.721 92 H VAL 15 HN VAL 15 42.749 62.628 17.837 93 HA VAL 15 HA VAL 15 44.436 64.434 18.627 94 HB VAL 15 HB VAL 15 44.596 62.055 16.896 95 HG11 VAL 15 1HG1 VAL 15 46.946 61.935 16.933 96 HG12 VAL 15 2HG1 VAL 15 46.346 63.258 15.869 97 HG13 VAL 15 3HG1 VAL 15 47.164 63.655 17.425 98 HG21 VAL 15 1HG2 VAL 15 46.076 61.538 19.062 99 HG22 VAL 15 2HG2 VAL 15 45.407 63.045 19.783 100 HG23 VAL 15 3HG2 VAL 15 44.297 61.710 19.278 101 H LEU 16 HN LEU 16 44.807 65.431 14.781 102 HA LEU 16 HA LEU 16 42.597 63.549 15.155 103 HB2 LEU 16 HB1 LEU 16 43.764 64.919 12.670 104 HB3 LEU 16 HB2 LEU 16 42.214 64.009 12.812 105 HG LEU 16 HG LEU 16 43.081 66.501 14.440 106 HD11 LEU 16 1HD1 LEU 16 42.360 66.343 11.487 107 HD12 LEU 16 2HD1 LEU 16 41.788 67.749 12.449 108 HD13 LEU 16 3HD1 LEU 16 43.558 67.428 12.291 109 HD21 LEU 16 1HD2 LEU 16 40.435 65.431 13.120 110 HD22 LEU 16 2HD2 LEU 16 40.808 65.215 14.869 111 HD23 LEU 16 3HD2 LEU 16 40.448 66.856 14.218 112 H GLN 17 HN GLN 17 45.553 63.607 13.390 113 HA GLN 17 HA GLN 17 45.158 60.933 12.279 114 HB2 GLN 17 HB1 GLN 17 47.343 63.110 11.955 115 HB3 GLN 17 HB2 GLN 17 47.174 61.628 10.931 116 HG2 GLN 17 HG1 GLN 17 44.858 62.619 10.381 117 HG3 GLN 17 HG2 GLN 17 45.285 64.158 11.227 118 HE21 GLN 17 1HE2 GLN 17 44.708 64.559 8.735 119 HE22 GLN 17 2HE2 GLN 17 46.191 65.162 8.082 120 H MDH 18 HN MDH 18 45.887 59.065 13.307 121 HB MDH 18 HB1 MDH 18 48.397 56.908 14.896 122 HG1 MDH 18 HG1 MDH 18 47.960 56.314 12.407 123 HG2 MDH 18 HG2 MDH 18 47.474 58.002 12.027 124 HG3 MDH 18 HG3 MDH 18 49.193 57.626 12.388 125 H CYS 19 HN CYS 19 45.829 58.062 15.927 126 HA CYS 19 HA CYS 19 46.505 59.561 18.308 127 HB2 CYS 19 HB1 CYS 19 44.333 57.471 17.937 128 HB3 CYS 19 HB2 CYS 19 44.517 58.726 19.219 129 H PHE 20 HN PHE 20 47.614 56.878 16.963 130 HA PHE 20 HA PHE 20 48.591 55.857 19.605 131 HB2 PHE 20 HB1 PHE 20 46.475 54.643 18.923 132 HB3 PHE 20 HB2 PHE 20 47.632 53.706 17.897 133 HD1 PHE 20 HD1 PHE 20 47.136 54.924 21.336 134 HD2 PHE 20 HD2 PHE 20 49.099 52.208 18.763 135 HE1 PHE 20 HE1 PHE 20 48.213 53.927 23.261 136 HE2 PHE 20 HE2 PHE 20 50.269 51.203 20.632 137 HZ PHE 20 HZ PHE 20 49.889 52.019 22.851 138 H ILE 21 HN ILE 21 50.594 54.733 19.632 139 HA ILE 21 HA ILE 21 52.015 54.555 17.092 140 HB ILE 21 HB ILE 21 53.086 55.837 19.558 141 HG12 ILE 21 1HG1 ILE 21 52.931 56.851 16.724 142 HG13 ILE 21 2HG1 ILE 21 51.612 57.233 17.904 143 HG21 ILE 21 1HG2 ILE 21 55.168 56.064 18.174 144 HG22 ILE 21 2HG2 ILE 21 54.834 54.345 18.585 145 HG23 ILE 21 3HG2 ILE 21 54.422 54.979 16.942 146 HD11 ILE 21 HD1 ILE 21 53.399 58.122 19.514 147 HD12 ILE 21 HD2 ILE 21 54.584 58.061 18.160 148 HD13 ILE 21 HD3 ILE 21 53.183 59.191 18.076 149 H GLN 22 HN GLN 22 52.596 51.301 18.586 150 HA GLN 22 HA GLN 22 53.714 52.978 16.632 151 HB2 GLN 22 HB1 GLN 22 54.555 50.637 17.756 152 HB3 GLN 22 HB2 GLN 22 53.394 49.899 16.578 153 HG2 GLN 22 HG1 GLN 22 55.670 49.851 15.633 154 HG3 GLN 22 HG2 GLN 22 54.715 51.096 14.726 155 HE21 GLN 22 1HE2 GLN 22 56.572 51.050 17.776 156 HE22 GLN 22 2HE2 GLN 22 57.350 52.570 17.566 157 H THR 23 HN THR 23 50.625 51.709 16.751 158 HA THR 23 HA THR 23 50.746 51.065 14.075 159 HB THR 23 HB THR 23 49.381 49.868 15.476 160 HG21 THR 23 1HG2 THR 23 48.520 51.865 16.819 161 HG22 THR 23 2HG2 THR 23 47.582 52.398 15.367 162 HG23 THR 23 3HG2 THR 23 47.109 50.889 16.257 163 H ALA 24 HN ALA 24 50.792 54.107 15.111 164 HA ALA 24 HA ALA 24 49.896 55.204 12.670 165 HB1 ALA 24 HB1 ALA 24 52.379 56.033 14.427 166 HB2 ALA 24 HB2 ALA 24 51.614 57.100 13.191 167 HB3 ALA 24 HB3 ALA 24 50.699 56.630 14.673 168 H THR 25 HN THR 25 52.642 53.147 13.104 169 HA THR 25 HA THR 25 51.487 52.773 10.612 170 HB THR 25 HB THR 25 54.293 51.861 10.321 171 HG21 THR 25 1HG2 THR 25 54.682 54.184 10.822 172 HG22 THR 25 2HG2 THR 25 55.152 53.721 9.147 173 HG23 THR 25 3HG2 THR 25 53.674 54.717 9.419 174 H CYS 26 HN CYS 26 50.124 51.610 11.482 175 HA CYS 26 HA CYS 26 50.978 48.874 11.233 176 HB2 CYS 26 HB1 CYS 26 49.114 48.035 12.652 177 HB3 CYS 26 HB2 CYS 26 50.366 48.967 13.557 178 H ASN 27 HN ASN 27 49.486 47.810 10.107 179 HA ASN 27 HA ASN 27 48.509 47.654 8.145 180 HB2 ASN 27 HB1 ASN 27 46.639 49.450 8.933 181 HB3 ASN 27 HB2 ASN 27 47.455 50.285 7.557 182 HD21 ASN 27 1HD2 ASN 27 47.059 49.667 5.330 183 HD22 ASN 27 2HD2 ASN 27 45.642 48.674 5.320 184 H CYS 28 HN CYS 28 50.750 50.390 8.830 185 HA CYS 28 HA CYS 28 52.113 49.633 6.584 186 HB2 CYS 28 HB1 CYS 28 53.105 50.101 9.429 187 HB3 CYS 28 HB2 CYS 28 54.181 50.261 7.983 188 H HIS 29 HN HIS 29 52.241 48.574 10.024 189 HA HIS 29 HA HIS 29 53.350 46.010 9.499 190 HB2 HIS 29 HB1 HIS 29 54.960 47.757 10.111 191 HB3 HIS 29 HB2 HIS 29 53.892 48.180 11.510 192 HD2 HIS 29 HD2 HIS 29 54.930 47.168 13.898 193 HE1 HIS 29 HE1 HIS 29 56.550 43.654 12.159 194 HE2 HIS 29 HE2 HIS 29 56.295 45.113 14.302 195 H ILE 30 HN ILE 30 53.212 45.499 12.474 196 HA ILE 30 HA ILE 30 50.602 44.446 12.574 197 HB ILE 30 HB ILE 30 52.795 44.420 14.643 198 HG12 ILE 30 1HG1 ILE 30 53.710 43.519 12.772 199 HG13 ILE 30 2HG1 ILE 30 53.167 42.062 13.697 200 HG21 ILE 30 1HG2 ILE 30 50.114 42.969 13.949 201 HG22 ILE 30 2HG2 ILE 30 51.388 42.253 15.006 202 HG23 ILE 30 3HG2 ILE 30 50.467 43.711 15.558 203 HD11 ILE 30 HD1 ILE 30 52.676 41.454 11.587 204 HD12 ILE 30 HD2 ILE 30 51.115 42.132 12.156 205 HD13 ILE 30 HD3 ILE 30 52.105 43.050 10.971 206 H DHA 31 HN DHA 31 49.016 45.412 13.603 207 HB1 DHA 31 HB1 DHA 31 47.125 46.743 13.660 208 HB2 DHA 31 HB2 DHA 31 46.755 47.458 15.372 209 H LYS 32 HN LYS 32 51.004 47.558 16.200 210 HA LYS 32 HA LYS 32 49.985 47.557 18.998 211 HB2 LYS 32 HB1 LYS 32 52.309 47.109 19.712 212 HB3 LYS 32 HB2 LYS 32 51.245 45.721 19.238 213 HG2 LYS 32 HG1 LYS 32 53.455 45.194 18.158 214 HG3 LYS 32 HG2 LYS 32 52.079 45.540 17.037 215 HD2 LYS 32 HD1 LYS 32 53.968 46.541 16.203 216 HD3 LYS 32 HD2 LYS 32 53.050 47.910 16.958 217 HE2 LYS 32 HE1 LYS 32 55.617 46.522 18.187 218 HE3 LYS 32 HE2 LYS 32 55.472 48.101 17.322 219 HZ1 LYS 32 HZ1 LYS 32 54.617 47.254 19.934 220 HZ2 LYS 32 HZ2 LYS 32 55.425 48.679 19.478 221 HZ3 LYS 32 HZ3 LYS 32 53.738 48.564 19.309 Start of MODEL 10 1 H1 TRP 1 H1 TRP 1 36.965 60.203 15.653 2 H2 TRP 1 H2 TRP 1 36.336 59.426 14.274 3 H3 TRP 1 H3 TRP 1 35.330 60.407 15.228 4 HA TRP 1 HA TRP 1 35.221 58.919 16.972 5 HB2 TRP 1 HB1 TRP 1 35.250 57.314 14.396 6 HB3 TRP 1 HB2 TRP 1 34.464 56.768 15.932 7 HD1 TRP 1 HD1 TRP 1 33.568 57.952 12.602 8 HE1 TRP 1 HE1 TRP 1 31.629 59.627 12.601 9 HE3 TRP 1 HE3 TRP 1 33.397 59.075 17.436 10 HZ2 TRP 1 HZ2 TRP 1 30.151 61.124 14.372 11 HZ3 TRP 1 HZ3 TRP 1 31.613 60.581 18.341 12 HH2 TRP 1 HH2 TRP 1 29.915 61.557 16.806 13 H LYS 2 HN LYS 2 36.183 57.217 18.230 14 HA LYS 2 HA LYS 2 39.085 56.970 17.748 15 HB2 LYS 2 HB1 LYS 2 37.394 56.214 20.127 16 HB3 LYS 2 HB2 LYS 2 39.113 55.723 19.906 17 HG2 LYS 2 HG1 LYS 2 39.649 58.114 19.767 18 HG3 LYS 2 HG2 LYS 2 37.903 58.556 19.707 19 HD2 LYS 2 HD1 LYS 2 37.669 57.702 22.104 20 HD3 LYS 2 HD2 LYS 2 39.440 57.325 22.100 21 HE2 LYS 2 HE1 LYS 2 39.996 59.736 21.969 22 HE3 LYS 2 HE2 LYS 2 38.241 60.180 22.053 23 HZ1 LYS 2 HZ1 LYS 2 38.083 59.715 24.150 24 HZ2 LYS 2 HZ2 LYS 2 39.138 58.384 24.018 25 HZ3 LYS 2 HZ3 LYS 2 39.764 59.951 24.166 26 H SER 3 HN SER 3 36.264 54.896 17.990 27 HA SER 3 HA SER 3 36.105 52.680 17.862 28 HB2 SER 3 HB1 SER 3 35.298 53.553 15.970 29 HB3 SER 3 HB2 SER 3 36.105 51.987 15.575 30 H GLN 4 HN GLN 4 37.589 52.702 19.458 31 HA GLN 4 HA GLN 4 38.792 51.420 20.789 32 HB2 GLN 4 HB1 GLN 4 39.824 49.822 18.370 33 HB3 GLN 4 HB2 GLN 4 40.034 49.434 20.130 34 HG2 GLN 4 HG1 GLN 4 37.500 49.525 18.572 35 HG3 GLN 4 HG2 GLN 4 38.453 48.008 18.844 36 HE21 GLN 4 1HE2 GLN 4 35.807 48.161 19.833 37 HE22 GLN 4 2HE2 GLN 4 35.895 47.921 21.544 38 H DHA 5 HN DHA 5 39.786 53.505 18.449 39 HB1 DHA 5 HB1 DHA 5 42.072 55.262 20.350 40 HB2 DHA 5 HB2 DHA 5 43.265 55.464 18.880 41 H PHE 6 HN PHE 6 40.564 52.500 16.709 42 HA PHE 6 HA PHE 6 42.016 53.264 14.610 43 HB2 PHE 6 HB1 PHE 6 43.276 50.625 14.500 44 HB3 PHE 6 HB2 PHE 6 44.075 52.072 15.224 45 HD1 PHE 6 HD1 PHE 6 41.575 49.344 15.947 46 HD2 PHE 6 HD2 PHE 6 44.823 51.834 17.436 47 HE1 PHE 6 HE1 PHE 6 41.441 48.225 18.036 48 HE2 PHE 6 HE2 PHE 6 44.673 50.661 19.462 49 HZ PHE 6 HZ PHE 6 42.951 49.013 19.939 50 H CYS 7 HN CYS 7 40.152 53.797 13.915 51 HA CYS 7 HA CYS 7 39.203 51.606 12.407 52 HB2 CYS 7 HB1 CYS 7 36.793 52.086 12.995 53 HB3 CYS 7 HB2 CYS 7 37.663 51.470 14.452 54 H THR 8 HN THR 8 39.228 55.110 13.157 55 HA THR 8 HA THR 8 40.899 54.639 10.950 56 HB THR 8 HB THR 8 40.936 57.177 10.698 57 HG21 THR 8 1HG2 THR 8 38.649 55.595 9.356 58 HG22 THR 8 2HG2 THR 8 39.455 57.113 8.824 59 HG23 THR 8 3HG2 THR 8 40.391 55.578 8.912 60 HA PRO 9 HA PRO 9 43.247 54.926 14.393 61 HB2 PRO 9 HB1 PRO 9 45.743 55.332 13.524 62 HB3 PRO 9 HB2 PRO 9 44.902 53.763 13.247 63 HG2 PRO 9 HG1 PRO 9 45.096 56.050 11.108 64 HG3 PRO 9 HG2 PRO 9 45.536 54.292 11.046 65 HD2 PRO 9 HD1 PRO 9 43.139 55.173 10.331 66 HD3 PRO 9 HD2 PRO 9 43.185 53.648 11.295 67 H GLY 10 HN GLY 10 43.614 57.591 12.195 68 HA2 GLY 10 HA1 GLY 10 43.678 59.585 14.339 69 HA3 GLY 10 HA2 GLY 10 44.641 59.694 12.791 70 H CYS 11 HN CYS 11 41.689 58.870 13.902 71 HA CYS 11 HA CYS 11 40.757 58.981 11.389 72 HB2 CYS 11 HB1 CYS 11 39.743 57.816 13.593 73 HB3 CYS 11 HB2 CYS 11 38.430 59.016 13.229 74 H VAL 12 HN VAL 12 38.653 62.297 12.472 75 HA VAL 12 HA VAL 12 41.113 61.977 13.610 76 HB VAL 12 HB VAL 12 40.826 63.709 14.895 77 HG11 VAL 12 1HG1 VAL 12 39.660 64.073 12.047 78 HG12 VAL 12 2HG1 VAL 12 40.072 65.468 13.121 79 HG13 VAL 12 3HG1 VAL 12 41.326 64.238 12.709 80 HG21 VAL 12 1HG2 VAL 12 38.267 64.833 14.632 81 HG22 VAL 12 2HG2 VAL 12 37.821 63.176 14.081 82 HG23 VAL 12 3HG2 VAL 12 38.434 63.433 15.756 83 H THR 13 HN THR 13 41.820 61.450 15.936 84 HA THR 13 HA THR 13 39.701 60.010 17.372 85 HB THR 13 HB THR 13 41.552 58.829 18.622 86 HG21 THR 13 1HG2 THR 13 41.737 58.539 15.692 87 HG22 THR 13 2HG2 THR 13 41.648 57.155 16.845 88 HG23 THR 13 3HG2 THR 13 40.164 58.091 16.452 89 H GLY 14 HN GLY 14 40.662 62.884 16.807 90 HA2 GLY 14 HA1 GLY 14 39.867 64.629 17.968 91 HA3 GLY 14 HA2 GLY 14 39.821 63.657 19.515 92 H VAL 15 HN VAL 15 42.647 63.058 17.960 93 HA VAL 15 HA VAL 15 44.125 64.368 19.923 94 HB VAL 15 HB VAL 15 44.255 62.239 17.968 95 HG11 VAL 15 1HG1 VAL 15 46.656 61.961 17.869 96 HG12 VAL 15 2HG1 VAL 15 46.375 63.614 17.220 97 HG13 VAL 15 3HG1 VAL 15 46.954 63.394 18.911 98 HG21 VAL 15 1HG2 VAL 15 43.814 61.701 20.236 99 HG22 VAL 15 2HG2 VAL 15 45.525 61.267 19.897 100 HG23 VAL 15 3HG2 VAL 15 45.141 62.750 20.846 101 H LEU 16 HN LEU 16 44.704 66.496 16.573 102 HA LEU 16 HA LEU 16 42.491 64.774 16.080 103 HB2 LEU 16 HB1 LEU 16 44.534 66.319 14.382 104 HB3 LEU 16 HB2 LEU 16 42.926 65.633 13.912 105 HG LEU 16 HG LEU 16 43.497 67.955 15.902 106 HD11 LEU 16 1HD1 LEU 16 43.868 68.486 13.473 107 HD12 LEU 16 2HD1 LEU 16 42.118 68.152 13.162 108 HD13 LEU 16 3HD1 LEU 16 42.599 69.517 14.230 109 HD21 LEU 16 1HD2 LEU 16 41.091 68.394 15.704 110 HD22 LEU 16 2HD2 LEU 16 40.746 66.722 15.138 111 HD23 LEU 16 3HD2 LEU 16 41.447 66.990 16.769 112 H GLN 17 HN GLN 17 45.941 64.330 15.098 113 HA GLN 17 HA GLN 17 45.065 61.963 13.671 114 HB2 GLN 17 HB1 GLN 17 47.037 63.970 12.715 115 HB3 GLN 17 HB2 GLN 17 46.710 62.323 12.041 116 HG2 GLN 17 HG1 GLN 17 44.324 63.289 11.670 117 HG3 GLN 17 HG2 GLN 17 45.015 64.822 12.351 118 HE21 GLN 17 1HE2 GLN 17 44.114 65.142 9.823 119 HE22 GLN 17 2HE2 GLN 17 45.480 65.338 8.789 120 H MDH 18 HN MDH 18 46.658 59.969 13.769 121 HB MDH 18 HB1 MDH 18 48.628 57.702 15.298 122 HG1 MDH 18 HG1 MDH 18 49.961 58.080 13.441 123 HG2 MDH 18 HG2 MDH 18 48.413 57.860 12.547 124 HG3 MDH 18 HG3 MDH 18 49.056 59.519 12.842 125 H CYS 19 HN CYS 19 45.618 58.778 16.068 126 HA CYS 19 HA CYS 19 45.912 59.613 18.739 127 HB2 CYS 19 HB1 CYS 19 44.185 57.428 17.439 128 HB3 CYS 19 HB2 CYS 19 43.726 58.155 19.034 129 H PHE 20 HN PHE 20 46.691 56.754 17.053 130 HA PHE 20 HA PHE 20 48.115 55.820 19.280 131 HB2 PHE 20 HB1 PHE 20 45.628 54.460 18.876 132 HB3 PHE 20 HB2 PHE 20 46.564 53.734 17.501 133 HD1 PHE 20 HD1 PHE 20 45.804 53.743 21.040 134 HD2 PHE 20 HD2 PHE 20 48.410 52.369 18.152 135 HE1 PHE 20 HE1 PHE 20 46.882 52.393 22.787 136 HE2 PHE 20 HE2 PHE 20 49.357 50.671 19.748 137 HZ PHE 20 HZ PHE 20 48.600 50.710 22.029 138 H ILE 21 HN ILE 21 50.004 54.775 18.795 139 HA ILE 21 HA ILE 21 50.832 54.403 16.074 140 HB ILE 21 HB ILE 21 51.885 56.304 18.189 141 HG12 ILE 21 1HG1 ILE 21 51.708 56.649 15.140 142 HG13 ILE 21 2HG1 ILE 21 50.295 56.938 16.241 143 HG21 ILE 21 1HG2 ILE 21 53.954 56.626 16.990 144 HG22 ILE 21 2HG2 ILE 21 53.696 55.145 17.981 145 HG23 ILE 21 3HG2 ILE 21 53.780 55.026 16.189 146 HD11 ILE 21 HD1 ILE 21 51.078 59.098 16.217 147 HD12 ILE 21 HD2 ILE 21 52.001 58.420 17.611 148 HD13 ILE 21 HD3 ILE 21 52.819 58.684 16.032 149 H GLN 22 HN GLN 22 52.444 51.782 17.769 150 HA GLN 22 HA GLN 22 52.804 53.361 15.361 151 HB2 GLN 22 HB1 GLN 22 54.673 51.988 16.502 152 HB3 GLN 22 HB2 GLN 22 53.823 50.590 15.739 153 HG2 GLN 22 HG1 GLN 22 54.160 51.320 13.539 154 HG3 GLN 22 HG2 GLN 22 54.720 52.975 14.000 155 HE21 GLN 22 1HE2 GLN 22 56.800 53.149 13.209 156 HE22 GLN 22 2HE2 GLN 22 58.059 52.047 13.658 157 H THR 23 HN THR 23 50.614 51.037 16.448 158 HA THR 23 HA THR 23 50.232 50.073 13.891 159 HB THR 23 HB THR 23 49.688 48.647 15.818 160 HG21 THR 23 1HG2 THR 23 48.352 50.535 16.872 161 HG22 THR 23 2HG2 THR 23 46.998 50.343 15.694 162 HG23 THR 23 3HG2 THR 23 47.491 48.958 16.739 163 H ALA 24 HN ALA 24 49.849 52.991 14.431 164 HA ALA 24 HA ALA 24 47.652 53.541 12.566 165 HB1 ALA 24 HB1 ALA 24 48.977 55.695 12.203 166 HB2 ALA 24 HB2 ALA 24 48.494 55.271 13.891 167 HB3 ALA 24 HB3 ALA 24 50.226 55.147 13.378 168 H THR 25 HN THR 25 50.908 52.296 12.329 169 HA THR 25 HA THR 25 49.483 51.121 10.217 170 HB THR 25 HB THR 25 52.451 51.190 9.751 171 HG21 THR 25 1HG2 THR 25 51.306 53.506 9.258 172 HG22 THR 25 2HG2 THR 25 51.935 52.636 7.809 173 HG23 THR 25 3HG2 THR 25 50.165 52.753 8.082 174 H CYS 26 HN CYS 26 48.872 49.453 11.293 175 HA CYS 26 HA CYS 26 50.719 47.407 11.432 176 HB2 CYS 26 HB1 CYS 26 49.449 46.332 13.481 177 HB3 CYS 26 HB2 CYS 26 50.510 47.763 13.764 178 H ASN 27 HN ASN 27 49.742 45.571 10.717 179 HA ASN 27 HA ASN 27 48.693 44.623 9.039 180 HB2 ASN 27 HB1 ASN 27 46.926 46.875 8.385 181 HB3 ASN 27 HB2 ASN 27 47.066 45.239 7.639 182 HD21 ASN 27 1HD2 ASN 27 45.955 46.866 10.797 183 HD22 ASN 27 2HD2 ASN 27 44.826 45.575 11.021 184 H CYS 28 HN CYS 28 49.783 48.051 8.483 185 HA CYS 28 HA CYS 28 51.697 47.319 6.770 186 HB2 CYS 28 HB1 CYS 28 52.387 48.851 9.447 187 HB3 CYS 28 HB2 CYS 28 53.119 49.058 7.798 188 H HIS 29 HN HIS 29 51.364 46.671 10.317 189 HA HIS 29 HA HIS 29 53.598 45.020 10.398 190 HB2 HIS 29 HB1 HIS 29 54.343 47.483 10.328 191 HB3 HIS 29 HB2 HIS 29 53.354 47.786 11.816 192 HD2 HIS 29 HD2 HIS 29 54.740 47.655 14.108 193 HE1 HIS 29 HE1 HIS 29 57.391 44.551 12.791 194 HE2 HIS 29 HE2 HIS 29 56.556 45.931 14.892 195 H ILE 30 HN ILE 30 54.075 44.970 13.081 196 HA ILE 30 HA ILE 30 52.042 43.481 14.156 197 HB ILE 30 HB ILE 30 54.424 44.772 15.495 198 HG12 ILE 30 1HG1 ILE 30 55.335 43.586 13.564 199 HG13 ILE 30 2HG1 ILE 30 55.517 42.488 14.992 200 HG21 ILE 30 1HG2 ILE 30 52.677 42.227 16.097 201 HG22 ILE 30 2HG2 ILE 30 54.289 42.579 16.833 202 HG23 ILE 30 3HG2 ILE 30 52.919 43.722 17.066 203 HD11 ILE 30 HD1 ILE 30 53.848 41.016 14.244 204 HD12 ILE 30 HD2 ILE 30 53.199 42.132 12.975 205 HD13 ILE 30 HD3 ILE 30 54.904 41.535 12.870 206 H DHA 31 HN DHA 31 50.672 44.054 15.495 207 HB1 DHA 31 HB1 DHA 31 48.173 44.659 15.712 208 HB2 DHA 31 HB2 DHA 31 47.943 45.612 17.332 209 H LYS 32 HN LYS 32 51.523 47.711 16.677 210 HA LYS 32 HA LYS 32 51.142 48.122 19.492 211 HB2 LYS 32 HB1 LYS 32 53.691 48.017 19.970 212 HB3 LYS 32 HB2 LYS 32 52.830 46.468 19.635 213 HG2 LYS 32 HG1 LYS 32 55.145 46.766 18.832 214 HG3 LYS 32 HG2 LYS 32 53.914 45.976 17.768 215 HD2 LYS 32 HD1 LYS 32 55.104 47.039 16.364 216 HD3 LYS 32 HD2 LYS 32 53.916 48.367 16.646 217 HE2 LYS 32 HE1 LYS 32 56.868 48.033 17.659 218 HE3 LYS 32 HE2 LYS 32 56.142 49.349 16.644 219 HZ1 LYS 32 HZ1 LYS 32 55.939 49.083 19.568 220 HZ2 LYS 32 HZ2 LYS 32 56.046 50.434 18.559 221 HZ3 LYS 32 HZ3 LYS 32 54.587 49.555 18.647 Start of MODEL 11 1 H1 TRP 1 H1 TRP 1 37.312 59.317 15.040 2 H2 TRP 1 H2 TRP 1 36.381 58.474 13.903 3 H3 TRP 1 H3 TRP 1 35.675 59.726 14.801 4 HA TRP 1 HA TRP 1 35.969 58.723 16.856 5 HB2 TRP 1 HB1 TRP 1 34.843 56.739 14.787 6 HB3 TRP 1 HB2 TRP 1 34.605 56.690 16.579 7 HD1 TRP 1 HD1 TRP 1 32.893 58.048 13.650 8 HE1 TRP 1 HE1 TRP 1 31.029 59.848 14.367 9 HE3 TRP 1 HE3 TRP 1 34.070 58.342 18.485 10 HZ2 TRP 1 HZ2 TRP 1 30.158 60.871 16.787 11 HZ3 TRP 1 HZ3 TRP 1 32.912 59.869 19.873 12 HH2 TRP 1 HH2 TRP 1 30.833 61.068 19.109 13 H LYS 2 HN LYS 2 36.984 57.115 18.277 14 HA LYS 2 HA LYS 2 39.253 55.909 17.227 15 HB2 LYS 2 HB1 LYS 2 38.110 55.727 20.030 16 HB3 LYS 2 HB2 LYS 2 39.683 55.112 19.371 17 HG2 LYS 2 HG1 LYS 2 40.460 57.319 19.034 18 HG3 LYS 2 HG2 LYS 2 38.889 58.055 19.552 19 HD2 LYS 2 HD1 LYS 2 38.896 57.419 21.534 20 HD3 LYS 2 HD2 LYS 2 40.454 56.494 21.615 21 HE2 LYS 2 HE1 LYS 2 41.818 58.580 21.097 22 HE3 LYS 2 HE2 LYS 2 40.259 59.503 21.047 23 HZ1 LYS 2 HZ1 LYS 2 39.919 58.659 23.434 24 HZ2 LYS 2 HZ2 LYS 2 41.567 58.249 23.282 25 HZ3 LYS 2 HZ3 LYS 2 41.076 59.872 23.106 26 H SER 3 HN SER 3 36.108 54.724 18.121 27 HA SER 3 HA SER 3 35.150 53.269 17.576 28 HB2 SER 3 HB1 SER 3 34.863 54.058 15.458 29 HB3 SER 3 HB2 SER 3 34.838 52.260 15.251 30 H GLN 4 HN GLN 4 36.743 52.349 19.289 31 HA GLN 4 HA GLN 4 37.149 50.571 20.337 32 HB2 GLN 4 HB1 GLN 4 35.587 48.960 18.293 33 HB3 GLN 4 HB2 GLN 4 36.316 48.307 19.816 34 HG2 GLN 4 HG1 GLN 4 34.214 50.446 19.473 35 HG3 GLN 4 HG2 GLN 4 33.873 48.721 19.929 36 HE21 GLN 4 1HE2 GLN 4 32.815 50.853 21.517 37 HE22 GLN 4 2HE2 GLN 4 33.886 51.164 22.852 38 H DHA 5 HN DHA 5 39.129 51.499 18.900 39 HB1 DHA 5 HB1 DHA 5 41.098 51.905 20.294 40 HB2 DHA 5 HB2 DHA 5 42.672 51.097 19.617 41 H PHE 6 HN PHE 6 42.020 49.191 16.021 42 HA PHE 6 HA PHE 6 40.387 51.546 16.768 43 HB2 PHE 6 HB1 PHE 6 43.062 51.483 15.361 44 HB3 PHE 6 HB2 PHE 6 41.916 52.864 15.185 45 HD1 PHE 6 HD1 PHE 6 44.619 51.380 17.263 46 HD2 PHE 6 HD2 PHE 6 41.285 54.087 17.088 47 HE1 PHE 6 HE1 PHE 6 45.441 52.527 19.072 48 HE2 PHE 6 HE2 PHE 6 42.194 55.351 18.919 49 HZ PHE 6 HZ PHE 6 44.406 54.580 19.949 50 H CYS 7 HN CYS 7 39.156 52.325 15.134 51 HA CYS 7 HA CYS 7 38.562 50.348 13.055 52 HB2 CYS 7 HB1 CYS 7 36.537 51.506 12.760 53 HB3 CYS 7 HB2 CYS 7 36.822 51.073 14.497 54 H THR 8 HN THR 8 39.652 53.531 13.401 55 HA THR 8 HA THR 8 41.220 53.063 11.110 56 HB THR 8 HB THR 8 41.202 55.845 10.797 57 HG21 THR 8 1HG2 THR 8 41.115 54.067 9.166 58 HG22 THR 8 2HG2 THR 8 39.340 53.931 9.411 59 HG23 THR 8 3HG2 THR 8 40.039 55.458 8.769 60 HA PRO 9 HA PRO 9 43.565 53.756 14.537 61 HB2 PRO 9 HB1 PRO 9 45.785 54.466 12.504 62 HB3 PRO 9 HB2 PRO 9 46.063 53.613 14.079 63 HG2 PRO 9 HG1 PRO 9 45.717 52.293 11.668 64 HG3 PRO 9 HG2 PRO 9 44.846 51.682 13.133 65 HD2 PRO 9 HD1 PRO 9 43.820 53.230 10.807 66 HD3 PRO 9 HD2 PRO 9 42.815 52.101 11.811 67 H GLY 10 HN GLY 10 43.529 56.132 12.068 68 HA2 GLY 10 HA1 GLY 10 44.091 58.369 13.950 69 HA3 GLY 10 HA2 GLY 10 44.768 58.247 12.263 70 H CYS 11 HN CYS 11 41.590 57.556 13.566 71 HA CYS 11 HA CYS 11 40.830 57.852 11.102 72 HB2 CYS 11 HB1 CYS 11 40.016 56.443 13.272 73 HB3 CYS 11 HB2 CYS 11 38.605 57.572 13.097 74 H VAL 12 HN VAL 12 38.469 60.832 12.353 75 HA VAL 12 HA VAL 12 41.176 60.776 13.216 76 HB VAL 12 HB VAL 12 40.729 62.762 14.250 77 HG11 VAL 12 1HG1 VAL 12 38.905 62.996 11.857 78 HG12 VAL 12 2HG1 VAL 12 40.151 64.116 12.519 79 HG13 VAL 12 3HG1 VAL 12 40.660 62.630 11.634 80 HG21 VAL 12 1HG2 VAL 12 38.566 62.360 15.537 81 HG22 VAL 12 2HG2 VAL 12 38.529 63.803 14.459 82 HG23 VAL 12 3HG2 VAL 12 37.670 62.299 13.976 83 H THR 13 HN THR 13 42.115 60.309 15.274 84 HA THR 13 HA THR 13 40.253 59.381 17.373 85 HB THR 13 HB THR 13 42.130 58.527 18.501 86 HG21 THR 13 1HG2 THR 13 41.865 57.667 15.476 87 HG22 THR 13 2HG2 THR 13 42.487 56.644 16.816 88 HG23 THR 13 3HG2 THR 13 40.785 57.247 16.856 89 H GLY 14 HN GLY 14 40.943 62.085 16.159 90 HA2 GLY 14 HA1 GLY 14 39.799 63.818 17.058 91 HA3 GLY 14 HA2 GLY 14 40.065 63.146 18.735 92 H VAL 15 HN VAL 15 42.898 62.550 17.590 93 HA VAL 15 HA VAL 15 44.013 64.746 18.836 94 HB VAL 15 HB VAL 15 44.792 62.478 19.189 95 HG11 VAL 15 1HG1 VAL 15 45.013 61.647 16.907 96 HG12 VAL 15 2HG1 VAL 15 46.161 62.972 16.491 97 HG13 VAL 15 3HG1 VAL 15 46.622 61.720 17.712 98 HG21 VAL 15 1HG2 VAL 15 46.886 64.699 18.641 99 HG22 VAL 15 2HG2 VAL 15 45.838 64.500 20.086 100 HG23 VAL 15 3HG2 VAL 15 47.078 63.258 19.693 101 H LEU 16 HN LEU 16 44.996 65.600 15.067 102 HA LEU 16 HA LEU 16 42.558 64.165 15.544 103 HB2 LEU 16 HB1 LEU 16 43.576 65.600 13.109 104 HB3 LEU 16 HB2 LEU 16 42.206 64.426 13.252 105 HG LEU 16 HG LEU 16 40.964 65.982 14.779 106 HD11 LEU 16 1HD1 LEU 16 43.387 67.771 14.725 107 HD12 LEU 16 2HD1 LEU 16 41.783 68.298 15.349 108 HD13 LEU 16 3HD1 LEU 16 42.689 66.971 16.179 109 HD21 LEU 16 1HD2 LEU 16 40.704 66.384 12.310 110 HD22 LEU 16 2HD2 LEU 16 40.669 67.794 13.445 111 HD23 LEU 16 3HD2 LEU 16 42.114 67.494 12.423 112 H GLN 17 HN GLN 17 45.744 63.658 14.146 113 HA GLN 17 HA GLN 17 44.991 60.924 13.401 114 HB2 GLN 17 HB1 GLN 17 46.249 61.242 11.176 115 HB3 GLN 17 HB2 GLN 17 44.964 62.487 11.450 116 HG2 GLN 17 HG1 GLN 17 46.469 64.079 11.740 117 HG3 GLN 17 HG2 GLN 17 47.850 63.053 12.270 118 HE21 GLN 17 1HE2 GLN 17 46.108 64.002 9.195 119 HE22 GLN 17 2HE2 GLN 17 47.475 63.525 8.237 120 H MDH 18 HN MDH 18 46.542 59.406 13.216 121 HB MDH 18 HB1 MDH 18 49.199 57.366 14.696 122 HG1 MDH 18 HG1 MDH 18 46.735 57.327 12.889 123 HG2 MDH 18 HG2 MDH 18 48.151 56.214 12.917 124 HG3 MDH 18 HG3 MDH 18 47.107 56.388 14.380 125 H CYS 19 HN CYS 19 46.082 58.051 15.832 126 HA CYS 19 HA CYS 19 46.462 59.155 18.442 127 HB2 CYS 19 HB1 CYS 19 44.539 56.931 17.502 128 HB3 CYS 19 HB2 CYS 19 44.466 57.933 19.007 129 H PHE 20 HN PHE 20 47.498 56.162 17.163 130 HA PHE 20 HA PHE 20 48.917 55.956 19.766 131 HB2 PHE 20 HB1 PHE 20 46.838 54.567 19.856 132 HB3 PHE 20 HB2 PHE 20 47.545 53.504 18.574 133 HD1 PHE 20 HD1 PHE 20 47.020 54.141 21.952 134 HD2 PHE 20 HD2 PHE 20 49.984 52.449 19.341 135 HE1 PHE 20 HE1 PHE 20 48.012 52.935 23.784 136 HE2 PHE 20 HE2 PHE 20 50.946 51.435 21.166 137 HZ PHE 20 HZ PHE 20 49.910 51.425 23.405 138 H ILE 21 HN ILE 21 50.943 55.419 19.526 139 HA ILE 21 HA ILE 21 51.996 54.640 16.976 140 HB ILE 21 HB ILE 21 53.123 55.966 19.476 141 HG12 ILE 21 1HG1 ILE 21 52.401 57.074 16.787 142 HG13 ILE 21 2HG1 ILE 21 51.616 57.394 18.387 143 HG21 ILE 21 1HG2 ILE 21 55.166 56.334 18.266 144 HG22 ILE 21 2HG2 ILE 21 54.941 54.551 18.108 145 HG23 ILE 21 3HG2 ILE 21 54.661 55.621 16.689 146 HD11 ILE 21 HD1 ILE 21 53.105 59.352 17.549 147 HD12 ILE 21 HD2 ILE 21 53.824 58.660 19.049 148 HD13 ILE 21 HD3 ILE 21 54.453 58.158 17.434 149 H GLN 22 HN GLN 22 52.463 51.626 18.233 150 HA GLN 22 HA GLN 22 54.108 53.095 16.369 151 HB2 GLN 22 HB1 GLN 22 54.546 50.932 17.530 152 HB3 GLN 22 HB2 GLN 22 53.221 50.289 16.493 153 HG2 GLN 22 HG1 GLN 22 55.325 49.608 15.532 154 HG3 GLN 22 HG2 GLN 22 54.333 50.709 14.498 155 HE21 GLN 22 1HE2 GLN 22 55.221 52.594 13.710 156 HE22 GLN 22 2HE2 GLN 22 56.684 53.336 14.284 157 H THR 23 HN THR 23 50.734 52.275 16.466 158 HA THR 23 HA THR 23 50.618 51.625 13.872 159 HB THR 23 HB THR 23 49.466 50.670 15.605 160 HG21 THR 23 1HG2 THR 23 48.460 52.529 16.901 161 HG22 THR 23 2HG2 THR 23 47.903 53.247 15.339 162 HG23 THR 23 3HG2 THR 23 47.075 51.794 16.002 163 H ALA 24 HN ALA 24 51.018 54.599 14.928 164 HA ALA 24 HA ALA 24 50.101 55.912 12.626 165 HB1 ALA 24 HB1 ALA 24 52.563 56.367 14.378 166 HB2 ALA 24 HB2 ALA 24 52.242 57.351 12.902 167 HB3 ALA 24 HB3 ALA 24 51.064 57.359 14.266 168 H THR 25 HN THR 25 52.792 53.406 12.763 169 HA THR 25 HA THR 25 51.188 53.171 10.552 170 HB THR 25 HB THR 25 53.886 51.910 10.124 171 HG21 THR 25 1HG2 THR 25 53.122 54.632 9.059 172 HG22 THR 25 2HG2 THR 25 54.510 54.504 10.198 173 HG23 THR 25 3HG2 THR 25 54.566 53.648 8.617 174 H CYS 26 HN CYS 26 49.946 51.627 10.710 175 HA CYS 26 HA CYS 26 50.694 49.119 11.425 176 HB2 CYS 26 HB1 CYS 26 48.748 48.533 12.818 177 HB3 CYS 26 HB2 CYS 26 50.061 49.491 13.616 178 H ASN 27 HN ASN 27 48.656 47.945 10.284 179 HA ASN 27 HA ASN 27 47.908 47.615 8.326 180 HB2 ASN 27 HB1 ASN 27 47.557 50.564 7.642 181 HB3 ASN 27 HB2 ASN 27 46.998 49.104 6.726 182 HD21 ASN 27 1HD2 ASN 27 45.837 51.516 8.590 183 HD22 ASN 27 2HD2 ASN 27 44.565 50.681 9.428 184 H CYS 28 HN CYS 28 50.422 50.313 8.607 185 HA CYS 28 HA CYS 28 52.107 49.417 6.735 186 HB2 CYS 28 HB1 CYS 28 52.961 50.200 9.579 187 HB3 CYS 28 HB2 CYS 28 53.829 50.406 8.011 188 H HIS 29 HN HIS 29 51.107 48.095 9.774 189 HA HIS 29 HA HIS 29 52.987 45.997 9.911 190 HB2 HIS 29 HB1 HIS 29 54.484 47.985 10.531 191 HB3 HIS 29 HB2 HIS 29 53.257 48.513 11.751 192 HD2 HIS 29 HD2 HIS 29 54.480 48.048 14.229 193 HE1 HIS 29 HE1 HIS 29 56.048 44.222 13.144 194 HE2 HIS 29 HE2 HIS 29 56.036 46.001 14.898 195 H ILE 30 HN ILE 30 53.087 45.280 12.375 196 HA ILE 30 HA ILE 30 50.520 44.436 13.177 197 HB ILE 30 HB ILE 30 52.960 44.852 14.709 198 HG12 ILE 30 1HG1 ILE 30 53.410 43.371 12.796 199 HG13 ILE 30 2HG1 ILE 30 53.321 42.377 14.305 200 HG21 ILE 30 1HG2 ILE 30 50.825 44.474 16.158 201 HG22 ILE 30 2HG2 ILE 30 50.554 42.961 15.222 202 HG23 ILE 30 3HG2 ILE 30 51.989 43.113 16.311 203 HD11 ILE 30 HD1 ILE 30 51.013 42.580 12.293 204 HD12 ILE 30 HD2 ILE 30 52.143 41.189 12.439 205 HD13 ILE 30 HD3 ILE 30 51.114 41.653 13.837 206 H DHA 31 HN DHA 31 49.045 45.397 13.890 207 HB1 DHA 31 HB1 DHA 31 46.728 46.608 13.904 208 HB2 DHA 31 HB2 DHA 31 46.499 47.428 15.599 209 H LYS 32 HN LYS 32 50.435 48.424 16.148 210 HA LYS 32 HA LYS 32 49.634 48.422 18.944 211 HB2 LYS 32 HB1 LYS 32 51.648 47.390 19.715 212 HB3 LYS 32 HB2 LYS 32 50.583 46.256 18.776 213 HG2 LYS 32 HG1 LYS 32 52.650 45.578 18.315 214 HG3 LYS 32 HG2 LYS 32 51.897 46.324 16.851 215 HD2 LYS 32 HD1 LYS 32 54.121 46.712 16.800 216 HD3 LYS 32 HD2 LYS 32 53.434 48.354 17.146 217 HE2 LYS 32 HE1 LYS 32 54.606 46.299 19.305 218 HE3 LYS 32 HE2 LYS 32 55.535 47.534 18.361 219 HZ1 LYS 32 HZ1 LYS 32 53.974 47.713 20.668 220 HZ2 LYS 32 HZ2 LYS 32 54.972 48.934 20.034 221 HZ3 LYS 32 HZ3 LYS 32 53.357 48.809 19.529 Start of MODEL 12 1 H1 TRP 1 H1 TRP 1 35.085 60.162 15.249 2 H2 TRP 1 H2 TRP 1 36.761 60.034 15.441 3 H3 TRP 1 H3 TRP 1 35.912 58.840 14.583 4 HA TRP 1 HA TRP 1 35.423 59.547 17.408 5 HB2 TRP 1 HB1 TRP 1 34.099 57.299 15.824 6 HB3 TRP 1 HB2 TRP 1 34.008 57.668 17.592 7 HD1 TRP 1 HD1 TRP 1 32.137 58.376 14.629 8 HE1 TRP 1 HE1 TRP 1 30.065 59.860 15.462 9 HE3 TRP 1 HE3 TRP 1 33.926 59.830 19.026 10 HZ2 TRP 1 HZ2 TRP 1 29.576 61.723 17.461 11 HZ3 TRP 1 HZ3 TRP 1 32.534 61.314 20.515 12 HH2 TRP 1 HH2 TRP 1 30.493 62.261 19.744 13 H LYS 2 HN LYS 2 36.066 57.915 19.110 14 HA LYS 2 HA LYS 2 38.591 57.002 18.351 15 HB2 LYS 2 HB1 LYS 2 37.266 57.209 21.115 16 HB3 LYS 2 HB2 LYS 2 39.035 57.228 20.751 17 HG2 LYS 2 HG1 LYS 2 38.869 59.348 19.661 18 HG3 LYS 2 HG2 LYS 2 37.072 59.477 19.874 19 HD2 LYS 2 HD1 LYS 2 37.385 59.098 22.315 20 HD3 LYS 2 HD2 LYS 2 39.133 59.507 22.111 21 HE2 LYS 2 HE1 LYS 2 38.358 61.615 20.906 22 HE3 LYS 2 HE2 LYS 2 36.634 61.305 21.372 23 HZ1 LYS 2 HZ1 LYS 2 37.337 62.158 23.495 24 HZ2 LYS 2 HZ2 LYS 2 38.560 60.979 23.411 25 HZ3 LYS 2 HZ3 LYS 2 38.830 62.541 22.777 26 H SER 3 HN SER 3 35.600 55.320 18.707 27 HA SER 3 HA SER 3 34.995 53.527 18.735 28 HB2 SER 3 HB1 SER 3 35.048 52.696 16.643 29 HB3 SER 3 HB2 SER 3 36.855 52.607 16.698 30 H GLN 4 HN GLN 4 36.825 53.098 20.884 31 HA GLN 4 HA GLN 4 37.511 51.611 22.232 32 HB2 GLN 4 HB1 GLN 4 36.642 49.433 20.311 33 HB3 GLN 4 HB2 GLN 4 37.120 49.243 22.041 34 HG2 GLN 4 HG1 GLN 4 34.669 50.603 20.765 35 HG3 GLN 4 HG2 GLN 4 34.698 49.212 21.919 36 HE21 GLN 4 1HE2 GLN 4 33.942 52.437 21.537 37 HE22 GLN 4 2HE2 GLN 4 33.928 52.914 23.205 38 H DHA 5 HN DHA 5 38.858 51.247 18.908 39 HB1 DHA 5 HB1 DHA 5 41.493 49.326 19.673 40 HB2 DHA 5 HB2 DHA 5 42.929 50.551 19.491 41 H PHE 6 HN PHE 6 40.413 51.909 17.293 42 HA PHE 6 HA PHE 6 39.697 54.505 17.613 43 HB2 PHE 6 HB1 PHE 6 41.306 55.320 15.643 44 HB3 PHE 6 HB2 PHE 6 42.116 55.062 17.240 45 HD1 PHE 6 HD1 PHE 6 41.167 53.177 14.072 46 HD2 PHE 6 HD2 PHE 6 43.711 53.536 17.376 47 HE1 PHE 6 HE1 PHE 6 42.364 51.155 13.344 48 HE2 PHE 6 HE2 PHE 6 44.946 51.370 16.638 49 HZ PHE 6 HZ PHE 6 44.012 50.182 14.778 50 H CYS 7 HN CYS 7 38.579 55.128 15.341 51 HA CYS 7 HA CYS 7 37.504 52.525 14.502 52 HB2 CYS 7 HB1 CYS 7 36.447 55.224 13.657 53 HB3 CYS 7 HB2 CYS 7 35.611 53.621 13.836 54 H THR 8 HN THR 8 39.402 55.119 13.757 55 HA THR 8 HA THR 8 40.531 54.110 11.443 56 HB THR 8 HB THR 8 40.538 56.700 10.542 57 HG21 THR 8 1HG2 THR 8 40.110 54.463 9.247 58 HG22 THR 8 2HG2 THR 8 38.518 54.402 10.092 59 HG23 THR 8 3HG2 THR 8 38.866 55.735 8.923 60 HA PRO 9 HA PRO 9 43.647 55.219 13.880 61 HB2 PRO 9 HB1 PRO 9 45.882 55.588 12.142 62 HB3 PRO 9 HB2 PRO 9 45.176 54.008 12.697 63 HG2 PRO 9 HG1 PRO 9 44.684 55.514 10.069 64 HG3 PRO 9 HG2 PRO 9 44.905 53.734 10.337 65 HD2 PRO 9 HD1 PRO 9 42.399 54.923 10.039 66 HD3 PRO 9 HD2 PRO 9 42.773 53.516 11.107 67 H GLY 10 HN GLY 10 42.966 57.494 11.284 68 HA2 GLY 10 HA1 GLY 10 43.385 59.550 13.317 69 HA3 GLY 10 HA2 GLY 10 44.055 59.681 11.625 70 H CYS 11 HN CYS 11 41.011 58.450 13.130 71 HA CYS 11 HA CYS 11 39.773 58.694 10.801 72 HB2 CYS 11 HB1 CYS 11 39.218 57.413 13.326 73 HB3 CYS 11 HB2 CYS 11 37.790 58.470 12.993 74 H VAL 12 HN VAL 12 37.824 61.921 12.103 75 HA VAL 12 HA VAL 12 40.426 61.524 13.007 76 HB VAL 12 HB VAL 12 40.260 63.466 14.169 77 HG11 VAL 12 1HG1 VAL 12 39.931 64.995 12.358 78 HG12 VAL 12 2HG1 VAL 12 40.767 63.532 11.753 79 HG13 VAL 12 3HG1 VAL 12 39.029 63.792 11.372 80 HG21 VAL 12 1HG2 VAL 12 37.335 63.583 13.205 81 HG22 VAL 12 2HG2 VAL 12 37.764 63.144 14.896 82 HG23 VAL 12 3HG2 VAL 12 38.157 64.790 14.262 83 H THR 13 HN THR 13 41.252 60.808 14.600 84 HA THR 13 HA THR 13 39.756 60.335 17.132 85 HB THR 13 HB THR 13 41.599 59.499 18.180 86 HG21 THR 13 1HG2 THR 13 41.541 57.262 16.936 87 HG22 THR 13 2HG2 THR 13 39.930 58.051 17.171 88 HG23 THR 13 3HG2 THR 13 40.734 58.095 15.553 89 H GLY 14 HN GLY 14 41.106 62.801 15.447 90 HA2 GLY 14 HA1 GLY 14 41.058 64.865 15.944 91 HA3 GLY 14 HA2 GLY 14 40.111 64.389 17.430 92 H VAL 15 HN VAL 15 43.199 63.244 16.938 93 HA VAL 15 HA VAL 15 44.380 64.692 19.021 94 HB VAL 15 HB VAL 15 44.301 62.380 18.998 95 HG11 VAL 15 1HG1 VAL 15 44.873 62.197 16.511 96 HG12 VAL 15 2HG1 VAL 15 46.625 62.438 16.882 97 HG13 VAL 15 3HG1 VAL 15 45.738 61.048 17.606 98 HG21 VAL 15 1HG2 VAL 15 47.094 63.650 19.071 99 HG22 VAL 15 2HG2 VAL 15 45.923 63.578 20.449 100 HG23 VAL 15 3HG2 VAL 15 46.861 62.112 19.973 101 H LEU 16 HN LEU 16 46.070 65.925 15.661 102 HA LEU 16 HA LEU 16 43.333 65.206 15.432 103 HB2 LEU 16 HB1 LEU 16 44.725 67.135 14.331 104 HB3 LEU 16 HB2 LEU 16 45.032 65.883 13.070 105 HG LEU 16 HG LEU 16 42.543 65.569 12.832 106 HD11 LEU 16 1HD1 LEU 16 42.061 68.259 14.283 107 HD12 LEU 16 2HD1 LEU 16 40.978 66.982 13.618 108 HD13 LEU 16 3HD1 LEU 16 41.890 66.682 15.136 109 HD21 LEU 16 1HD2 LEU 16 44.064 66.737 11.498 110 HD22 LEU 16 2HD2 LEU 16 42.565 67.752 11.432 111 HD23 LEU 16 3HD2 LEU 16 43.979 68.288 12.409 112 H GLN 17 HN GLN 17 46.312 63.779 14.373 113 HA GLN 17 HA GLN 17 44.882 61.330 13.640 114 HB2 GLN 17 HB1 GLN 17 45.824 61.052 11.523 115 HB3 GLN 17 HB2 GLN 17 45.328 62.795 11.515 116 HG2 GLN 17 HG1 GLN 17 47.723 63.539 11.940 117 HG3 GLN 17 HG2 GLN 17 48.201 61.806 12.139 118 HE21 GLN 17 1HE2 GLN 17 47.039 60.479 10.085 119 HE22 GLN 17 2HE2 GLN 17 47.305 61.254 8.552 120 H MDH 18 HN MDH 18 46.624 59.303 13.260 121 HB MDH 18 HB1 MDH 18 48.587 57.174 14.690 122 HG1 MDH 18 HG1 MDH 18 49.349 59.200 12.522 123 HG2 MDH 18 HG2 MDH 18 50.515 58.846 13.848 124 HG3 MDH 18 HG3 MDH 18 50.075 57.559 12.667 125 H CYS 19 HN CYS 19 45.641 58.000 15.446 126 HA CYS 19 HA CYS 19 45.602 58.830 18.280 127 HB2 CYS 19 HB1 CYS 19 43.687 57.401 16.473 128 HB3 CYS 19 HB2 CYS 19 43.429 57.888 18.196 129 H PHE 20 HN PHE 20 47.674 56.476 17.036 130 HA PHE 20 HA PHE 20 47.266 54.992 19.403 131 HB2 PHE 20 HB1 PHE 20 45.664 54.067 17.478 132 HB3 PHE 20 HB2 PHE 20 47.157 53.531 16.613 133 HD1 PHE 20 HD1 PHE 20 44.857 53.038 19.376 134 HD2 PHE 20 HD2 PHE 20 48.559 51.732 17.728 135 HE1 PHE 20 HE1 PHE 20 44.898 51.123 20.944 136 HE2 PHE 20 HE2 PHE 20 48.716 50.000 19.349 137 HZ PHE 20 HZ PHE 20 46.871 49.678 21.014 138 H ILE 21 HN ILE 21 49.311 53.849 19.818 139 HA ILE 21 HA ILE 21 51.201 54.375 17.654 140 HB ILE 21 HB ILE 21 51.806 54.488 20.611 141 HG12 ILE 21 1HG1 ILE 21 51.931 56.814 18.634 142 HG13 ILE 21 2HG1 ILE 21 50.581 56.423 19.771 143 HG21 ILE 21 1HG2 ILE 21 53.685 53.641 18.989 144 HG22 ILE 21 2HG2 ILE 21 53.425 55.052 17.908 145 HG23 ILE 21 3HG2 ILE 21 54.156 55.289 19.538 146 HD11 ILE 21 HD1 ILE 21 53.450 56.948 20.615 147 HD12 ILE 21 HD2 ILE 21 52.052 58.079 20.738 148 HD13 ILE 21 HD3 ILE 21 52.056 56.541 21.674 149 H GLN 22 HN GLN 22 52.221 50.914 18.290 150 HA GLN 22 HA GLN 22 52.282 53.270 16.493 151 HB2 GLN 22 HB1 GLN 22 54.390 52.299 17.284 152 HB3 GLN 22 HB2 GLN 22 54.120 50.906 16.168 153 HG2 GLN 22 HG1 GLN 22 54.228 52.634 14.261 154 HG3 GLN 22 HG2 GLN 22 54.240 53.887 15.564 155 HE21 GLN 22 1HE2 GLN 22 56.083 54.877 15.311 156 HE22 GLN 22 2HE2 GLN 22 57.619 54.147 15.675 157 H THR 23 HN THR 23 50.695 50.345 16.756 158 HA THR 23 HA THR 23 50.652 49.689 14.160 159 HB THR 23 HB THR 23 50.131 48.260 16.023 160 HG21 THR 23 1HG2 THR 23 48.580 49.154 17.403 161 HG22 THR 23 2HG2 THR 23 47.617 49.937 16.098 162 HG23 THR 23 3HG2 THR 23 47.529 48.153 16.324 163 H ALA 24 HN ALA 24 49.541 52.385 15.043 164 HA ALA 24 HA ALA 24 47.404 52.815 13.042 165 HB1 ALA 24 HB1 ALA 24 48.012 55.316 13.338 166 HB2 ALA 24 HB2 ALA 24 47.471 54.598 14.894 167 HB3 ALA 24 HB3 ALA 24 49.226 54.777 14.557 168 H THR 25 HN THR 25 50.931 52.615 12.874 169 HA THR 25 HA THR 25 49.782 51.392 10.742 170 HB THR 25 HB THR 25 52.676 51.962 10.257 171 HG21 THR 25 1HG2 THR 25 51.554 54.319 10.284 172 HG22 THR 25 2HG2 THR 25 51.704 53.766 8.579 173 HG23 THR 25 3HG2 THR 25 50.129 53.601 9.452 174 H CYS 26 HN CYS 26 49.274 49.644 11.567 175 HA CYS 26 HA CYS 26 51.445 47.732 11.529 176 HB2 CYS 26 HB1 CYS 26 50.558 46.240 13.105 177 HB3 CYS 26 HB2 CYS 26 51.116 47.775 13.892 178 H ASN 27 HN ASN 27 50.630 45.808 10.670 179 HA ASN 27 HA ASN 27 49.912 45.060 8.649 180 HB2 ASN 27 HB1 ASN 27 47.519 46.947 8.744 181 HB3 ASN 27 HB2 ASN 27 48.096 46.018 7.300 182 HD21 ASN 27 1HD2 ASN 27 45.679 45.325 8.376 183 HD22 ASN 27 2HD2 ASN 27 45.822 43.855 9.284 184 H CYS 28 HN CYS 28 50.478 48.651 9.280 185 HA CYS 28 HA CYS 28 52.067 48.857 7.009 186 HB2 CYS 28 HB1 CYS 28 52.877 50.069 9.642 187 HB3 CYS 28 HB2 CYS 28 53.285 50.444 7.926 188 H HIS 29 HN HIS 29 52.673 47.476 10.216 189 HA HIS 29 HA HIS 29 54.352 45.504 9.111 190 HB2 HIS 29 HB1 HIS 29 55.984 47.594 9.567 191 HB3 HIS 29 HB2 HIS 29 55.360 47.484 11.266 192 HD2 HIS 29 HD2 HIS 29 57.655 46.072 12.711 193 HE1 HIS 29 HE1 HIS 29 58.802 43.845 9.341 194 HE2 HIS 29 HE2 HIS 29 59.273 44.364 11.626 195 H ILE 30 HN ILE 30 55.377 44.960 11.800 196 HA ILE 30 HA ILE 30 53.704 43.449 13.055 197 HB ILE 30 HB ILE 30 55.924 44.698 14.438 198 HG12 ILE 30 1HG1 ILE 30 56.717 43.429 12.494 199 HG13 ILE 30 2HG1 ILE 30 56.845 42.370 13.951 200 HG21 ILE 30 1HG2 ILE 30 54.170 42.281 15.115 201 HG22 ILE 30 2HG2 ILE 30 55.706 42.685 15.959 202 HG23 ILE 30 3HG2 ILE 30 54.309 43.822 16.031 203 HD11 ILE 30 HD1 ILE 30 54.725 41.225 13.210 204 HD12 ILE 30 HD2 ILE 30 54.892 42.146 11.677 205 HD13 ILE 30 HD3 ILE 30 56.141 40.936 12.146 206 H DHA 31 HN DHA 31 52.040 43.602 14.136 207 HB1 DHA 31 HB1 DHA 31 49.472 43.859 14.215 208 HB2 DHA 31 HB2 DHA 31 48.978 44.612 15.882 209 H LYS 32 HN LYS 32 52.583 46.933 16.123 210 HA LYS 32 HA LYS 32 51.784 46.577 18.920 211 HB2 LYS 32 HB1 LYS 32 54.242 47.194 19.595 212 HB3 LYS 32 HB2 LYS 32 53.945 45.545 18.902 213 HG2 LYS 32 HG1 LYS 32 55.935 46.300 17.751 214 HG3 LYS 32 HG2 LYS 32 54.503 46.303 16.650 215 HD2 LYS 32 HD1 LYS 32 55.977 47.962 16.111 216 HD3 LYS 32 HD2 LYS 32 54.491 48.795 16.721 217 HE2 LYS 32 HE1 LYS 32 57.190 48.318 18.271 218 HE3 LYS 32 HE2 LYS 32 56.699 49.832 17.408 219 HZ1 LYS 32 HZ1 LYS 32 55.861 50.521 19.068 220 HZ2 LYS 32 HZ2 LYS 32 54.584 49.412 18.997 221 HZ3 LYS 32 HZ3 LYS 32 55.914 49.105 20.004 Start of MODEL 13 1 H1 TRP 1 H1 TRP 1 35.467 59.082 13.846 2 H2 TRP 1 H2 TRP 1 35.559 60.475 14.822 3 H3 TRP 1 H3 TRP 1 36.965 59.602 14.459 4 HA TRP 1 HA TRP 1 35.578 59.249 16.725 5 HB2 TRP 1 HB1 TRP 1 34.144 57.293 14.942 6 HB3 TRP 1 HB2 TRP 1 34.223 57.272 16.749 7 HD1 TRP 1 HD1 TRP 1 32.714 59.090 13.739 8 HE1 TRP 1 HE1 TRP 1 30.895 60.654 14.629 9 HE3 TRP 1 HE3 TRP 1 33.685 58.538 18.690 10 HZ2 TRP 1 HZ2 TRP 1 30.248 61.773 17.370 11 HZ3 TRP 1 HZ3 TRP 1 32.386 59.804 20.358 12 HH2 TRP 1 HH2 TRP 1 30.684 61.408 19.576 13 H LYS 2 HN LYS 2 36.698 57.698 17.911 14 HA LYS 2 HA LYS 2 39.206 56.697 17.011 15 HB2 LYS 2 HB1 LYS 2 37.537 56.523 19.644 16 HB3 LYS 2 HB2 LYS 2 39.143 55.728 19.425 17 HG2 LYS 2 HG1 LYS 2 40.214 57.853 19.070 18 HG3 LYS 2 HG2 LYS 2 38.643 58.715 19.303 19 HD2 LYS 2 HD1 LYS 2 38.298 57.494 21.343 20 HD3 LYS 2 HD2 LYS 2 39.914 56.681 21.317 21 HE2 LYS 2 HE1 LYS 2 40.825 59.359 21.347 22 HE3 LYS 2 HE2 LYS 2 39.087 59.613 21.800 23 HZ1 LYS 2 HZ1 LYS 2 40.580 59.164 23.600 24 HZ2 LYS 2 HZ2 LYS 2 39.054 58.427 23.526 25 HZ3 LYS 2 HZ3 LYS 2 40.460 57.507 23.280 26 H SER 3 HN SER 3 36.252 54.897 17.745 27 HA SER 3 HA SER 3 35.713 53.142 17.387 28 HB2 SER 3 HB1 SER 3 35.008 53.631 15.431 29 HB3 SER 3 HB2 SER 3 35.745 52.018 15.109 30 H GLN 4 HN GLN 4 37.141 52.515 19.040 31 HA GLN 4 HA GLN 4 38.020 50.936 20.257 32 HB2 GLN 4 HB1 GLN 4 38.573 49.262 17.896 33 HB3 GLN 4 HB2 GLN 4 38.527 48.734 19.626 34 HG2 GLN 4 HG1 GLN 4 35.985 49.738 18.265 35 HG3 GLN 4 HG2 GLN 4 36.522 48.011 18.264 36 HE21 GLN 4 1HE2 GLN 4 36.811 46.924 20.351 37 HE22 GLN 4 2HE2 GLN 4 36.103 47.597 21.778 38 H DHA 5 HN DHA 5 39.177 53.096 19.756 39 HB1 DHA 5 HB1 DHA 5 41.528 53.437 21.367 40 HB2 DHA 5 HB2 DHA 5 42.656 54.408 20.204 41 H PHE 6 HN PHE 6 41.189 51.803 16.809 42 HA PHE 6 HA PHE 6 41.539 54.156 15.277 43 HB2 PHE 6 HB1 PHE 6 43.683 52.637 14.271 44 HB3 PHE 6 HB2 PHE 6 43.814 53.878 15.579 45 HD1 PHE 6 HD1 PHE 6 43.456 50.184 15.033 46 HD2 PHE 6 HD2 PHE 6 44.402 53.429 17.736 47 HE1 PHE 6 HE1 PHE 6 43.676 48.627 16.965 48 HE2 PHE 6 HE2 PHE 6 44.539 51.904 19.486 49 HZ PHE 6 HZ PHE 6 44.168 49.474 19.166 50 H CYS 7 HN CYS 7 39.419 53.541 14.768 51 HA CYS 7 HA CYS 7 39.489 51.483 12.699 52 HB2 CYS 7 HB1 CYS 7 36.967 52.210 12.417 53 HB3 CYS 7 HB2 CYS 7 37.462 51.343 13.923 54 H THR 8 HN THR 8 39.726 54.822 13.026 55 HA THR 8 HA THR 8 41.359 54.306 10.776 56 HB THR 8 HB THR 8 41.065 57.115 10.458 57 HG21 THR 8 1HG2 THR 8 39.493 54.789 8.982 58 HG22 THR 8 2HG2 THR 8 39.859 56.422 8.297 59 HG23 THR 8 3HG2 THR 8 41.203 55.292 8.696 60 HA PRO 9 HA PRO 9 43.682 55.390 14.135 61 HB2 PRO 9 HB1 PRO 9 46.219 55.269 13.223 62 HB3 PRO 9 HB2 PRO 9 45.173 53.797 13.108 63 HG2 PRO 9 HG1 PRO 9 45.392 55.839 10.759 64 HG3 PRO 9 HG2 PRO 9 45.809 54.074 10.733 65 HD2 PRO 9 HD1 PRO 9 43.336 55.158 10.119 66 HD3 PRO 9 HD2 PRO 9 43.427 53.628 11.074 67 H GLY 10 HN GLY 10 43.240 57.769 11.726 68 HA2 GLY 10 HA1 GLY 10 43.425 59.636 13.871 69 HA3 GLY 10 HA2 GLY 10 44.415 59.986 12.379 70 H CYS 11 HN CYS 11 41.263 58.595 13.463 71 HA CYS 11 HA CYS 11 40.445 58.894 10.841 72 HB2 CYS 11 HB1 CYS 11 39.528 57.249 12.928 73 HB3 CYS 11 HB2 CYS 11 38.083 58.254 12.527 74 H VAL 12 HN VAL 12 38.187 61.944 12.164 75 HA VAL 12 HA VAL 12 40.711 61.695 13.143 76 HB VAL 12 HB VAL 12 39.953 63.470 14.678 77 HG11 VAL 12 1HG1 VAL 12 39.538 63.591 11.555 78 HG12 VAL 12 2HG1 VAL 12 39.929 65.054 12.535 79 HG13 VAL 12 3HG1 VAL 12 41.102 63.693 12.438 80 HG21 VAL 12 1HG2 VAL 12 38.004 64.697 14.379 81 HG22 VAL 12 2HG2 VAL 12 37.377 63.664 13.050 82 HG23 VAL 12 3HG2 VAL 12 37.461 63.013 14.723 83 H THR 13 HN THR 13 41.544 61.287 15.038 84 HA THR 13 HA THR 13 39.827 59.684 16.995 85 HB THR 13 HB THR 13 41.582 58.629 17.816 86 HG21 THR 13 1HG2 THR 13 40.206 57.883 15.682 87 HG22 THR 13 2HG2 THR 13 41.630 58.494 14.773 88 HG23 THR 13 3HG2 THR 13 41.834 57.192 15.991 89 H GLY 14 HN GLY 14 41.038 62.738 16.314 90 HA2 GLY 14 HA1 GLY 14 40.427 64.525 17.271 91 HA3 GLY 14 HA2 GLY 14 39.658 63.582 18.628 92 H VAL 15 HN VAL 15 42.666 62.739 18.083 93 HA VAL 15 HA VAL 15 43.787 64.039 20.219 94 HB VAL 15 HB VAL 15 44.147 61.805 19.602 95 HG11 VAL 15 1HG1 VAL 15 45.932 61.048 18.110 96 HG12 VAL 15 2HG1 VAL 15 44.588 61.924 17.288 97 HG13 VAL 15 3HG1 VAL 15 46.165 62.743 17.544 98 HG21 VAL 15 1HG2 VAL 15 46.901 63.296 19.847 99 HG22 VAL 15 2HG2 VAL 15 45.732 63.249 21.219 100 HG23 VAL 15 3HG2 VAL 15 46.413 61.718 20.562 101 H LEU 16 HN LEU 16 45.266 66.124 17.054 102 HA LEU 16 HA LEU 16 42.809 65.073 16.710 103 HB2 LEU 16 HB1 LEU 16 43.574 67.214 16.032 104 HB3 LEU 16 HB2 LEU 16 44.427 66.488 14.621 105 HG LEU 16 HG LEU 16 42.351 65.658 13.611 106 HD11 LEU 16 1HD1 LEU 16 40.124 66.547 14.459 107 HD12 LEU 16 2HD1 LEU 16 40.887 65.183 15.359 108 HD13 LEU 16 3HD1 LEU 16 41.014 66.866 15.990 109 HD21 LEU 16 1HD2 LEU 16 42.623 68.564 14.264 110 HD22 LEU 16 2HD2 LEU 16 43.550 67.604 13.037 111 HD23 LEU 16 3HD2 LEU 16 41.786 67.908 12.799 112 H GLN 17 HN GLN 17 45.941 64.045 15.486 113 HA GLN 17 HA GLN 17 44.774 61.749 14.109 114 HB2 GLN 17 HB1 GLN 17 46.708 63.781 12.795 115 HB3 GLN 17 HB2 GLN 17 46.134 62.209 12.098 116 HG2 GLN 17 HG1 GLN 17 43.889 62.933 12.411 117 HG3 GLN 17 HG2 GLN 17 44.357 64.664 12.612 118 HE21 GLN 17 1HE2 GLN 17 43.606 61.913 10.474 119 HE22 GLN 17 2HE2 GLN 17 44.157 62.548 8.961 120 H MDH 18 HN MDH 18 46.453 59.992 13.641 121 HB MDH 18 HB1 MDH 18 49.059 57.786 14.884 122 HG1 MDH 18 HG1 MDH 18 48.997 59.393 12.463 123 HG2 MDH 18 HG2 MDH 18 49.928 60.239 13.753 124 HG3 MDH 18 HG3 MDH 18 50.487 58.640 13.130 125 H CYS 19 HN CYS 19 45.642 58.429 15.746 126 HA CYS 19 HA CYS 19 45.588 59.117 18.535 127 HB2 CYS 19 HB1 CYS 19 43.747 57.240 17.025 128 HB3 CYS 19 HB2 CYS 19 43.479 58.141 18.562 129 H PHE 20 HN PHE 20 47.083 56.557 16.900 130 HA PHE 20 HA PHE 20 48.104 55.986 19.355 131 HB2 PHE 20 HB1 PHE 20 46.123 54.328 19.414 132 HB3 PHE 20 HB2 PHE 20 47.086 53.428 18.181 133 HD1 PHE 20 HD1 PHE 20 47.180 54.978 21.525 134 HD2 PHE 20 HD2 PHE 20 49.116 52.226 18.904 135 HE1 PHE 20 HE1 PHE 20 48.462 54.135 23.414 136 HE2 PHE 20 HE2 PHE 20 50.574 51.598 20.624 137 HZ PHE 20 HZ PHE 20 50.288 52.513 22.926 138 H ILE 21 HN ILE 21 50.340 55.041 19.032 139 HA ILE 21 HA ILE 21 51.278 54.589 16.302 140 HB ILE 21 HB ILE 21 52.367 56.467 18.448 141 HG12 ILE 21 1HG1 ILE 21 51.457 57.123 15.635 142 HG13 ILE 21 2HG1 ILE 21 50.519 57.571 17.118 143 HG21 ILE 21 1HG2 ILE 21 53.506 55.675 15.736 144 HG22 ILE 21 2HG2 ILE 21 54.077 56.976 16.846 145 HG23 ILE 21 3HG2 ILE 21 54.249 55.245 17.328 146 HD11 ILE 21 HD1 ILE 21 52.383 58.963 17.904 147 HD12 ILE 21 HD2 ILE 21 53.179 58.877 16.293 148 HD13 ILE 21 HD3 ILE 21 51.526 59.584 16.441 149 H GLN 22 HN GLN 22 52.348 51.862 18.162 150 HA GLN 22 HA GLN 22 52.882 53.336 15.746 151 HB2 GLN 22 HB1 GLN 22 54.660 51.687 16.952 152 HB3 GLN 22 HB2 GLN 22 53.577 50.368 16.351 153 HG2 GLN 22 HG1 GLN 22 53.993 50.569 14.187 154 HG3 GLN 22 HG2 GLN 22 54.882 52.130 14.320 155 HE21 GLN 22 1HE2 GLN 22 56.930 51.824 13.725 156 HE22 GLN 22 2HE2 GLN 22 57.932 50.860 14.756 157 H THR 23 HN THR 23 50.369 51.273 16.770 158 HA THR 23 HA THR 23 50.115 50.230 14.274 159 HB THR 23 HB THR 23 49.244 49.192 16.204 160 HG21 THR 23 1HG2 THR 23 48.270 50.977 17.349 161 HG22 THR 23 2HG2 THR 23 46.865 51.159 16.242 162 HG23 THR 23 3HG2 THR 23 47.073 49.636 17.166 163 H ALA 24 HN ALA 24 50.006 53.274 14.773 164 HA ALA 24 HA ALA 24 48.033 53.934 12.782 165 HB1 ALA 24 HB1 ALA 24 49.497 56.136 12.488 166 HB2 ALA 24 HB2 ALA 24 48.700 55.802 14.064 167 HB3 ALA 24 HB3 ALA 24 50.455 55.470 13.858 168 H THR 25 HN THR 25 51.346 52.693 12.753 169 HA THR 25 HA THR 25 49.874 51.568 10.625 170 HB THR 25 HB THR 25 52.790 51.278 10.149 171 HG21 THR 25 1HG2 THR 25 52.387 53.855 9.947 172 HG22 THR 25 2HG2 THR 25 52.652 52.998 8.385 173 HG23 THR 25 3HG2 THR 25 50.982 53.432 8.893 174 H CYS 26 HN CYS 26 48.901 50.189 11.453 175 HA CYS 26 HA CYS 26 50.255 47.738 11.883 176 HB2 CYS 26 HB1 CYS 26 48.455 46.993 13.409 177 HB3 CYS 26 HB2 CYS 26 49.721 47.911 14.323 178 H ASN 27 HN ASN 27 48.822 46.128 11.004 179 HA ASN 27 HA ASN 27 47.846 45.558 9.079 180 HB2 ASN 27 HB1 ASN 27 45.960 46.950 9.221 181 HB3 ASN 27 HB2 ASN 27 46.894 48.277 8.421 182 HD21 ASN 27 1HD2 ASN 27 45.248 45.119 7.988 183 HD22 ASN 27 2HD2 ASN 27 45.401 45.124 6.256 184 H CYS 28 HN CYS 28 49.723 48.456 9.025 185 HA CYS 28 HA CYS 28 51.735 47.791 7.141 186 HB2 CYS 28 HB1 CYS 28 52.231 49.171 9.853 187 HB3 CYS 28 HB2 CYS 28 53.100 49.566 8.317 188 H HIS 29 HN HIS 29 51.104 47.102 10.483 189 HA HIS 29 HA HIS 29 53.235 45.287 10.702 190 HB2 HIS 29 HB1 HIS 29 54.212 47.621 10.982 191 HB3 HIS 29 HB2 HIS 29 53.221 47.754 12.497 192 HD2 HIS 29 HD2 HIS 29 54.952 47.203 14.474 193 HE1 HIS 29 HE1 HIS 29 57.143 44.149 12.364 194 HE2 HIS 29 HE2 HIS 29 57.181 45.694 14.351 195 H ILE 30 HN ILE 30 53.332 44.790 12.929 196 HA ILE 30 HA ILE 30 51.255 43.649 14.307 197 HB ILE 30 HB ILE 30 53.717 44.577 15.575 198 HG12 ILE 30 1HG1 ILE 30 54.526 43.524 13.644 199 HG13 ILE 30 2HG1 ILE 30 54.758 42.460 15.092 200 HG21 ILE 30 1HG2 ILE 30 53.499 42.654 16.950 201 HG22 ILE 30 2HG2 ILE 30 51.930 43.527 17.104 202 HG23 ILE 30 3HG2 ILE 30 52.041 42.046 16.078 203 HD11 ILE 30 HD1 ILE 30 54.085 41.134 13.002 204 HD12 ILE 30 HD2 ILE 30 53.004 40.931 14.438 205 HD13 ILE 30 HD3 ILE 30 52.475 41.944 13.049 206 H DHA 31 HN DHA 31 50.106 44.253 16.003 207 HB1 DHA 31 HB1 DHA 31 47.675 45.542 16.126 208 HB2 DHA 31 HB2 DHA 31 47.619 46.847 17.505 209 H LYS 32 HN LYS 32 51.433 48.172 16.854 210 HA LYS 32 HA LYS 32 52.298 47.831 19.611 211 HB2 LYS 32 HB1 LYS 32 53.788 48.541 17.133 212 HB3 LYS 32 HB2 LYS 32 54.380 48.530 18.838 213 HG2 LYS 32 HG1 LYS 32 54.082 45.977 18.851 214 HG3 LYS 32 HG2 LYS 32 53.406 46.130 17.182 215 HD2 LYS 32 HD1 LYS 32 55.704 45.638 16.990 216 HD3 LYS 32 HD2 LYS 32 55.379 47.350 16.501 217 HE2 LYS 32 HE1 LYS 32 56.240 47.917 18.928 218 HE3 LYS 32 HE2 LYS 32 57.088 46.325 18.831 219 HZ1 LYS 32 HZ1 LYS 32 58.247 46.948 16.901 220 HZ2 LYS 32 HZ2 LYS 32 57.330 48.359 16.668 221 HZ3 LYS 32 HZ3 LYS 32 58.395 48.241 17.985 Start of MODEL 14 1 H1 TRP 1 H1 TRP 1 35.348 59.925 14.648 2 H2 TRP 1 H2 TRP 1 37.024 59.639 14.587 3 H3 TRP 1 H3 TRP 1 35.946 58.553 13.844 4 HA TRP 1 HA TRP 1 35.943 59.217 16.708 5 HB2 TRP 1 HB1 TRP 1 34.473 57.060 15.000 6 HB3 TRP 1 HB2 TRP 1 34.537 57.044 16.807 7 HD1 TRP 1 HD1 TRP 1 32.269 58.214 14.087 8 HE1 TRP 1 HE1 TRP 1 30.528 59.758 15.033 9 HE3 TRP 1 HE3 TRP 1 34.618 59.234 18.328 10 HZ2 TRP 1 HZ2 TRP 1 30.128 61.246 17.525 11 HZ3 TRP 1 HZ3 TRP 1 33.454 60.748 20.044 12 HH2 TRP 1 HH2 TRP 1 31.426 61.877 19.401 13 H LYS 2 HN LYS 2 36.675 57.317 18.093 14 HA LYS 2 HA LYS 2 39.241 56.738 17.121 15 HB2 LYS 2 HB1 LYS 2 37.971 55.707 19.623 16 HB3 LYS 2 HB2 LYS 2 39.708 55.529 19.137 17 HG2 LYS 2 HG1 LYS 2 39.900 58.100 19.321 18 HG3 LYS 2 HG2 LYS 2 38.102 58.080 19.534 19 HD2 LYS 2 HD1 LYS 2 38.365 56.819 21.772 20 HD3 LYS 2 HD2 LYS 2 40.138 56.770 21.424 21 HE2 LYS 2 HE1 LYS 2 40.320 59.160 21.592 22 HE3 LYS 2 HE2 LYS 2 38.537 59.360 21.830 23 HZ1 LYS 2 HZ1 LYS 2 38.812 58.066 23.886 24 HZ2 LYS 2 HZ2 LYS 2 40.447 57.735 23.544 25 HZ3 LYS 2 HZ3 LYS 2 39.948 59.331 23.849 26 H SER 3 HN SER 3 36.307 54.718 17.733 27 HA SER 3 HA SER 3 35.790 52.701 17.227 28 HB2 SER 3 HB1 SER 3 35.364 53.668 15.384 29 HB3 SER 3 HB2 SER 3 35.801 51.940 15.059 30 H GLN 4 HN GLN 4 37.177 52.370 19.088 31 HA GLN 4 HA GLN 4 38.284 51.096 20.446 32 HB2 GLN 4 HB1 GLN 4 38.984 49.273 18.144 33 HB3 GLN 4 HB2 GLN 4 39.239 49.081 19.924 34 HG2 GLN 4 HG1 GLN 4 36.382 49.551 18.777 35 HG3 GLN 4 HG2 GLN 4 37.093 47.894 18.881 36 HE21 GLN 4 1HE2 GLN 4 37.642 47.254 21.216 37 HE22 GLN 4 2HE2 GLN 4 36.668 47.979 22.461 38 H DHA 5 HN DHA 5 39.459 53.132 18.499 39 HB1 DHA 5 HB1 DHA 5 41.390 54.444 21.033 40 HB2 DHA 5 HB2 DHA 5 42.902 54.729 19.928 41 H PHE 6 HN PHE 6 40.894 51.861 16.951 42 HA PHE 6 HA PHE 6 42.241 53.445 15.109 43 HB2 PHE 6 HB1 PHE 6 43.976 51.224 14.503 44 HB3 PHE 6 HB2 PHE 6 44.440 52.526 15.678 45 HD1 PHE 6 HD1 PHE 6 42.907 49.206 15.347 46 HD2 PHE 6 HD2 PHE 6 44.635 51.971 18.086 47 HE1 PHE 6 HE1 PHE 6 42.349 47.787 17.200 48 HE2 PHE 6 HE2 PHE 6 44.168 50.654 19.846 49 HZ PHE 6 HZ PHE 6 42.878 48.385 19.473 50 H CYS 7 HN CYS 7 39.994 53.285 14.625 51 HA CYS 7 HA CYS 7 39.676 50.998 12.816 52 HB2 CYS 7 HB1 CYS 7 37.321 51.662 12.599 53 HB3 CYS 7 HB2 CYS 7 37.777 51.293 14.302 54 H THR 8 HN THR 8 40.093 54.274 13.308 55 HA THR 8 HA THR 8 41.929 53.947 11.412 56 HB THR 8 HB THR 8 41.870 56.720 10.868 57 HG21 THR 8 1HG2 THR 8 42.503 54.850 9.317 58 HG22 THR 8 2HG2 THR 8 40.790 54.284 9.279 59 HG23 THR 8 3HG2 THR 8 41.201 55.933 8.692 60 HA PRO 9 HA PRO 9 43.650 55.235 15.231 61 HB2 PRO 9 HB1 PRO 9 46.297 55.654 14.239 62 HB3 PRO 9 HB2 PRO 9 45.715 54.116 14.993 63 HG2 PRO 9 HG1 PRO 9 46.440 54.105 12.447 64 HG3 PRO 9 HG2 PRO 9 45.193 52.987 13.135 65 HD2 PRO 9 HD1 PRO 9 44.578 55.435 11.454 66 HD3 PRO 9 HD2 PRO 9 43.889 53.758 11.473 67 H GLY 10 HN GLY 10 43.344 57.235 12.641 68 HA2 GLY 10 HA1 GLY 10 43.652 59.498 14.380 69 HA3 GLY 10 HA2 GLY 10 44.597 59.530 12.831 70 H CYS 11 HN CYS 11 41.368 58.218 13.651 71 HA CYS 11 HA CYS 11 40.904 58.617 11.145 72 HB2 CYS 11 HB1 CYS 11 39.982 56.833 12.962 73 HB3 CYS 11 HB2 CYS 11 38.416 57.647 12.596 74 H VAL 12 HN VAL 12 38.093 61.140 12.323 75 HA VAL 12 HA VAL 12 40.900 61.349 13.199 76 HB VAL 12 HB VAL 12 40.256 63.337 14.423 77 HG11 VAL 12 1HG1 VAL 12 39.206 63.581 11.550 78 HG12 VAL 12 2HG1 VAL 12 40.130 64.726 12.580 79 HG13 VAL 12 3HG1 VAL 12 40.946 63.274 11.900 80 HG21 VAL 12 1HG2 VAL 12 37.991 64.399 13.949 81 HG22 VAL 12 2HG2 VAL 12 37.462 62.916 13.059 82 HG23 VAL 12 3HG2 VAL 12 37.783 62.849 14.837 83 H THR 13 HN THR 13 41.587 60.984 15.327 84 HA THR 13 HA THR 13 39.663 60.282 17.297 85 HB THR 13 HB THR 13 41.373 59.346 18.474 86 HG21 THR 13 1HG2 THR 13 41.504 57.323 17.092 87 HG22 THR 13 2HG2 THR 13 40.335 58.323 16.159 88 HG23 THR 13 3HG2 THR 13 42.079 58.332 15.710 89 H GLY 14 HN GLY 14 40.981 62.850 15.836 90 HA2 GLY 14 HA1 GLY 14 40.306 64.978 16.461 91 HA3 GLY 14 HA2 GLY 14 39.767 64.297 18.061 92 H VAL 15 HN VAL 15 42.622 63.389 17.581 93 HA VAL 15 HA VAL 15 43.944 65.381 19.011 94 HB VAL 15 HB VAL 15 44.137 62.807 18.965 95 HG11 VAL 15 1HG1 VAL 15 45.320 62.326 16.969 96 HG12 VAL 15 2HG1 VAL 15 46.669 63.409 17.465 97 HG13 VAL 15 3HG1 VAL 15 46.326 61.919 18.405 98 HG21 VAL 15 1HG2 VAL 15 46.320 63.111 20.404 99 HG22 VAL 15 2HG2 VAL 15 46.295 64.855 19.945 100 HG23 VAL 15 3HG2 VAL 15 44.904 64.137 20.830 101 H LEU 16 HN LEU 16 45.532 66.110 15.586 102 HA LEU 16 HA LEU 16 42.773 65.397 15.581 103 HB2 LEU 16 HB1 LEU 16 43.767 67.210 14.133 104 HB3 LEU 16 HB2 LEU 16 44.696 65.901 13.299 105 HG LEU 16 HG LEU 16 42.554 65.096 12.624 106 HD11 LEU 16 1HD1 LEU 16 40.710 67.139 12.853 107 HD12 LEU 16 2HD1 LEU 16 40.902 66.105 14.320 108 HD13 LEU 16 3HD1 LEU 16 41.757 67.684 14.219 109 HD21 LEU 16 1HD2 LEU 16 43.347 68.001 11.965 110 HD22 LEU 16 2HD2 LEU 16 44.037 66.458 11.351 111 HD23 LEU 16 3HD2 LEU 16 42.397 66.977 10.826 112 H GLN 17 HN GLN 17 45.824 64.119 14.828 113 HA GLN 17 HA GLN 17 44.936 61.416 14.474 114 HB2 GLN 17 HB1 GLN 17 45.896 61.179 12.279 115 HB3 GLN 17 HB2 GLN 17 44.635 62.477 12.230 116 HG2 GLN 17 HG1 GLN 17 46.051 64.257 12.121 117 HG3 GLN 17 HG2 GLN 17 47.559 63.316 12.448 118 HE21 GLN 17 1HE2 GLN 17 47.600 61.312 10.533 119 HE22 GLN 17 2HE2 GLN 17 47.215 61.758 8.905 120 H MDH 18 HN MDH 18 46.934 59.841 14.185 121 HB MDH 18 HB1 MDH 18 48.959 57.966 16.111 122 HG1 MDH 18 HG1 MDH 18 47.770 58.657 13.362 123 HG2 MDH 18 HG2 MDH 18 48.570 57.136 13.902 124 HG3 MDH 18 HG3 MDH 18 47.018 57.661 14.659 125 H CYS 19 HN CYS 19 45.676 59.248 16.397 126 HA CYS 19 HA CYS 19 45.686 59.775 19.081 127 HB2 CYS 19 HB1 CYS 19 43.848 57.708 17.664 128 HB3 CYS 19 HB2 CYS 19 43.366 58.679 19.113 129 H PHE 20 HN PHE 20 46.604 57.052 17.187 130 HA PHE 20 HA PHE 20 47.714 55.838 19.595 131 HB2 PHE 20 HB1 PHE 20 45.459 54.952 18.121 132 HB3 PHE 20 HB2 PHE 20 46.743 53.861 17.471 133 HD1 PHE 20 HD1 PHE 20 44.778 54.691 20.605 134 HD2 PHE 20 HD2 PHE 20 47.993 52.567 18.872 135 HE1 PHE 20 HE1 PHE 20 45.089 53.553 22.680 136 HE2 PHE 20 HE2 PHE 20 48.367 51.387 20.912 137 HZ PHE 20 HZ PHE 20 47.063 52.111 23.008 138 H ILE 21 HN ILE 21 49.569 54.933 19.503 139 HA ILE 21 HA ILE 21 50.813 54.562 16.893 140 HB ILE 21 HB ILE 21 52.876 55.552 17.804 141 HG12 ILE 21 1HG1 ILE 21 51.230 56.601 20.232 142 HG13 ILE 21 2HG1 ILE 21 52.266 55.124 20.296 143 HG21 ILE 21 1HG2 ILE 21 52.377 57.799 17.437 144 HG22 ILE 21 2HG2 ILE 21 51.256 56.728 16.518 145 HG23 ILE 21 3HG2 ILE 21 50.663 57.636 17.948 146 HD11 ILE 21 HD1 ILE 21 53.230 58.012 19.697 147 HD12 ILE 21 HD2 ILE 21 53.398 57.090 21.231 148 HD13 ILE 21 HD3 ILE 21 54.225 56.515 19.736 149 H GLN 22 HN GLN 22 52.470 51.831 18.216 150 HA GLN 22 HA GLN 22 52.459 53.723 16.142 151 HB2 GLN 22 HB1 GLN 22 54.686 52.730 17.428 152 HB3 GLN 22 HB2 GLN 22 54.366 51.522 16.108 153 HG2 GLN 22 HG1 GLN 22 56.003 53.069 15.203 154 HG3 GLN 22 HG2 GLN 22 54.421 53.242 14.343 155 HE21 GLN 22 1HE2 GLN 22 56.530 54.733 16.935 156 HE22 GLN 22 2HE2 GLN 22 55.621 56.204 16.955 157 H THR 23 HN THR 23 50.736 51.230 16.844 158 HA THR 23 HA THR 23 50.250 50.534 14.290 159 HB THR 23 HB THR 23 49.262 49.380 16.295 160 HG21 THR 23 1HG2 THR 23 47.124 51.529 16.197 161 HG22 THR 23 2HG2 THR 23 47.305 50.228 17.432 162 HG23 THR 23 3HG2 THR 23 48.571 51.493 17.270 163 H ALA 24 HN ALA 24 50.374 53.380 15.129 164 HA ALA 24 HA ALA 24 48.762 54.750 13.210 165 HB1 ALA 24 HB1 ALA 24 51.073 56.282 13.312 166 HB2 ALA 24 HB2 ALA 24 50.254 55.957 14.889 167 HB3 ALA 24 HB3 ALA 24 51.639 54.928 14.360 168 H THR 25 HN THR 25 51.694 52.643 12.993 169 HA THR 25 HA THR 25 50.066 52.012 10.866 170 HB THR 25 HB THR 25 52.893 51.252 10.166 171 HG21 THR 25 1HG2 THR 25 52.842 53.730 9.998 172 HG22 THR 25 2HG2 THR 25 52.670 52.963 8.381 173 HG23 THR 25 3HG2 THR 25 51.206 53.567 9.238 174 H CYS 26 HN CYS 26 49.033 50.437 11.792 175 HA CYS 26 HA CYS 26 50.269 47.946 11.911 176 HB2 CYS 26 HB1 CYS 26 48.592 47.188 13.650 177 HB3 CYS 26 HB2 CYS 26 49.860 48.280 14.337 178 H ASN 27 HN ASN 27 48.523 46.397 11.393 179 HA ASN 27 HA ASN 27 47.627 45.713 9.588 180 HB2 ASN 27 HB1 ASN 27 45.728 47.295 10.239 181 HB3 ASN 27 HB2 ASN 27 46.419 48.523 9.096 182 HD21 ASN 27 1HD2 ASN 27 45.836 48.242 6.922 183 HD22 ASN 27 2HD2 ASN 27 45.302 46.727 6.267 184 H CYS 28 HN CYS 28 49.450 48.594 9.436 185 HA CYS 28 HA CYS 28 51.003 48.191 7.097 186 HB2 CYS 28 HB1 CYS 28 52.024 49.049 9.923 187 HB3 CYS 28 HB2 CYS 28 52.769 49.182 8.280 188 H HIS 29 HN HIS 29 51.179 47.153 10.321 189 HA HIS 29 HA HIS 29 52.498 44.649 9.850 190 HB2 HIS 29 HB1 HIS 29 54.300 46.652 9.934 191 HB3 HIS 29 HB2 HIS 29 53.853 46.835 11.682 192 HD2 HIS 29 HD2 HIS 29 55.794 45.489 13.017 193 HE1 HIS 29 HE1 HIS 29 56.547 42.439 10.252 194 HE2 HIS 29 HE2 HIS 29 57.068 43.310 12.513 195 H ILE 30 HN ILE 30 53.136 44.003 12.248 196 HA ILE 30 HA ILE 30 51.201 43.426 13.946 197 HB ILE 30 HB ILE 30 54.018 44.279 14.623 198 HG12 ILE 30 1HG1 ILE 30 53.931 42.591 12.903 199 HG13 ILE 30 2HG1 ILE 30 54.747 42.029 14.408 200 HG21 ILE 30 1HG2 ILE 30 52.193 42.598 16.326 201 HG22 ILE 30 2HG2 ILE 30 53.966 42.849 16.529 202 HG23 ILE 30 3HG2 ILE 30 52.825 44.239 16.684 203 HD11 ILE 30 HD1 ILE 30 53.267 40.205 13.474 204 HD12 ILE 30 HD2 ILE 30 53.115 40.749 15.187 205 HD13 ILE 30 HD3 ILE 30 51.830 41.163 13.987 206 H DHA 31 HN DHA 31 49.963 44.196 15.249 207 HB1 DHA 31 HB1 DHA 31 47.536 45.259 16.056 208 HB2 DHA 31 HB2 DHA 31 48.014 46.220 17.630 209 H LYS 32 HN LYS 32 51.674 47.689 16.256 210 HA LYS 32 HA LYS 32 52.373 47.473 19.088 211 HB2 LYS 32 HB1 LYS 32 54.582 48.456 18.167 212 HB3 LYS 32 HB2 LYS 32 54.393 46.666 18.322 213 HG2 LYS 32 HG1 LYS 32 55.401 47.087 16.297 214 HG3 LYS 32 HG2 LYS 32 53.696 46.671 15.870 215 HD2 LYS 32 HD1 LYS 32 53.184 49.072 15.602 216 HD3 LYS 32 HD2 LYS 32 54.920 49.372 15.973 217 HE2 LYS 32 HE1 LYS 32 55.656 48.050 13.997 218 HE3 LYS 32 HE2 LYS 32 53.964 47.740 13.415 219 HZ1 LYS 32 HZ1 LYS 32 55.123 49.529 12.383 220 HZ2 LYS 32 HZ2 LYS 32 53.648 50.005 13.077 221 HZ3 LYS 32 HZ3 LYS 32 55.105 50.353 13.868 Start of MODEL 15 1 H1 TRP 1 H1 TRP 1 35.868 59.564 13.872 2 H2 TRP 1 H2 TRP 1 34.937 60.743 14.678 3 H3 TRP 1 H3 TRP 1 36.542 60.476 15.143 4 HA TRP 1 HA TRP 1 35.127 59.727 16.769 5 HB2 TRP 1 HB1 TRP 1 34.266 57.864 14.430 6 HB3 TRP 1 HB2 TRP 1 33.687 57.717 16.146 7 HD1 TRP 1 HD1 TRP 1 32.477 59.105 13.097 8 HE1 TRP 1 HE1 TRP 1 30.956 61.181 13.324 9 HE3 TRP 1 HE3 TRP 1 33.059 59.863 18.052 10 HZ2 TRP 1 HZ2 TRP 1 29.737 62.464 15.512 11 HZ3 TRP 1 HZ3 TRP 1 31.597 61.399 19.176 12 HH2 TRP 1 HH2 TRP 1 29.858 62.714 17.862 13 H LYS 2 HN LYS 2 36.026 58.597 18.187 14 HA LYS 2 HA LYS 2 38.658 57.778 17.493 15 HB2 LYS 2 HB1 LYS 2 37.327 57.234 20.236 16 HB3 LYS 2 HB2 LYS 2 39.068 57.185 19.765 17 HG2 LYS 2 HG1 LYS 2 38.908 59.596 19.206 18 HG3 LYS 2 HG2 LYS 2 37.233 59.630 19.882 19 HD2 LYS 2 HD1 LYS 2 38.745 60.466 21.374 20 HD3 LYS 2 HD2 LYS 2 38.206 58.928 22.145 21 HE2 LYS 2 HE1 LYS 2 40.404 57.831 21.192 22 HE3 LYS 2 HE2 LYS 2 40.952 59.515 20.838 23 HZ1 LYS 2 HZ1 LYS 2 40.513 58.614 23.586 24 HZ2 LYS 2 HZ2 LYS 2 41.889 59.071 22.704 25 HZ3 LYS 2 HZ3 LYS 2 40.622 60.183 22.951 26 H SER 3 HN SER 3 35.948 55.661 18.100 27 HA SER 3 HA SER 3 35.901 53.693 19.015 28 HB2 SER 3 HB1 SER 3 35.518 52.182 17.867 29 HB3 SER 3 HB2 SER 3 36.925 52.273 16.716 30 H GLN 4 HN GLN 4 37.246 54.430 20.677 31 HA GLN 4 HA GLN 4 38.578 53.870 22.355 32 HB2 GLN 4 HB1 GLN 4 39.001 51.186 20.944 33 HB3 GLN 4 HB2 GLN 4 39.444 51.554 22.662 34 HG2 GLN 4 HG1 GLN 4 36.644 51.462 21.383 35 HG3 GLN 4 HG2 GLN 4 37.432 50.178 22.381 36 HE21 GLN 4 1HE2 GLN 4 34.927 51.621 22.971 37 HE22 GLN 4 2HE2 GLN 4 35.163 51.973 24.644 38 H DHA 5 HN DHA 5 39.652 54.781 19.698 39 HB1 DHA 5 HB1 DHA 5 42.634 55.340 21.504 40 HB2 DHA 5 HB2 DHA 5 43.684 55.623 19.947 41 H PHE 6 HN PHE 6 40.175 53.305 18.250 42 HA PHE 6 HA PHE 6 41.158 53.787 15.763 43 HB2 PHE 6 HB1 PHE 6 41.336 50.996 15.310 44 HB3 PHE 6 HB2 PHE 6 42.751 52.029 15.754 45 HD1 PHE 6 HD1 PHE 6 39.988 49.943 17.381 46 HD2 PHE 6 HD2 PHE 6 43.873 51.743 17.712 47 HE1 PHE 6 HE1 PHE 6 39.926 49.624 19.581 48 HE2 PHE 6 HE2 PHE 6 43.937 51.022 20.106 49 HZ PHE 6 HZ PHE 6 41.754 50.285 21.091 50 H CYS 7 HN CYS 7 39.073 54.590 15.529 51 HA CYS 7 HA CYS 7 37.251 52.362 14.827 52 HB2 CYS 7 HB1 CYS 7 36.884 55.221 15.357 53 HB3 CYS 7 HB2 CYS 7 35.950 54.654 13.921 54 H THR 8 HN THR 8 39.095 55.056 13.880 55 HA THR 8 HA THR 8 40.224 53.523 11.900 56 HB THR 8 HB THR 8 40.529 55.984 10.453 57 HG21 THR 8 1HG2 THR 8 39.900 53.542 9.677 58 HG22 THR 8 2HG2 THR 8 38.215 54.146 9.896 59 HG23 THR 8 3HG2 THR 8 39.346 55.028 8.809 60 HA PRO 9 HA PRO 9 42.979 54.883 14.832 61 HB2 PRO 9 HB1 PRO 9 45.448 54.449 13.645 62 HB3 PRO 9 HB2 PRO 9 44.255 53.145 14.016 63 HG2 PRO 9 HG1 PRO 9 44.548 54.585 11.262 64 HG3 PRO 9 HG2 PRO 9 44.724 52.832 11.676 65 HD2 PRO 9 HD1 PRO 9 42.464 53.815 10.812 66 HD3 PRO 9 HD2 PRO 9 42.320 52.725 12.253 67 H GLY 10 HN GLY 10 43.154 56.715 11.863 68 HA2 GLY 10 HA1 GLY 10 43.917 59.106 13.459 69 HA3 GLY 10 HA2 GLY 10 44.311 58.771 11.707 70 H CYS 11 HN CYS 11 41.256 58.149 13.217 71 HA CYS 11 HA CYS 11 40.374 58.176 10.708 72 HB2 CYS 11 HB1 CYS 11 39.110 57.395 13.094 73 HB3 CYS 11 HB2 CYS 11 37.918 58.503 12.311 74 H VAL 12 HN VAL 12 38.594 61.751 11.430 75 HA VAL 12 HA VAL 12 41.048 61.310 12.613 76 HB VAL 12 HB VAL 12 40.804 63.241 13.707 77 HG11 VAL 12 1HG1 VAL 12 40.208 63.214 10.701 78 HG12 VAL 12 2HG1 VAL 12 40.620 64.731 11.586 79 HG13 VAL 12 3HG1 VAL 12 41.749 63.321 11.628 80 HG21 VAL 12 1HG2 VAL 12 38.120 63.178 13.896 81 HG22 VAL 12 2HG2 VAL 12 38.850 64.756 13.443 82 HG23 VAL 12 3HG2 VAL 12 38.121 63.698 12.171 83 H THR 13 HN THR 13 41.518 60.789 14.663 84 HA THR 13 HA THR 13 39.324 60.082 16.573 85 HB THR 13 HB THR 13 40.907 59.181 18.047 86 HG21 THR 13 1HG2 THR 13 41.789 57.953 15.265 87 HG22 THR 13 2HG2 THR 13 41.503 57.136 16.840 88 HG23 THR 13 3HG2 THR 13 40.115 57.827 15.914 89 H GLY 14 HN GLY 14 40.287 62.562 15.487 90 HA2 GLY 14 HA1 GLY 14 40.015 64.641 16.178 91 HA3 GLY 14 HA2 GLY 14 39.515 64.045 17.819 92 H VAL 15 HN VAL 15 42.498 62.715 17.136 93 HA VAL 15 HA VAL 15 43.941 64.471 18.722 94 HB VAL 15 HB VAL 15 44.602 61.957 17.179 95 HG11 VAL 15 1HG1 VAL 15 46.957 63.824 17.945 96 HG12 VAL 15 2HG1 VAL 15 46.935 62.069 17.552 97 HG13 VAL 15 3HG1 VAL 15 46.324 63.271 16.355 98 HG21 VAL 15 1HG2 VAL 15 43.803 61.657 19.348 99 HG22 VAL 15 2HG2 VAL 15 45.579 61.372 19.216 100 HG23 VAL 15 3HG2 VAL 15 44.956 62.806 20.128 101 H LEU 16 HN LEU 16 44.921 65.688 15.041 102 HA LEU 16 HA LEU 16 42.340 64.394 14.970 103 HB2 LEU 16 HB1 LEU 16 44.302 65.982 13.305 104 HB3 LEU 16 HB2 LEU 16 43.041 65.029 12.431 105 HG LEU 16 HG LEU 16 41.278 66.241 13.374 106 HD11 LEU 16 1HD1 LEU 16 43.160 67.899 15.263 107 HD12 LEU 16 2HD1 LEU 16 41.403 68.057 14.916 108 HD13 LEU 16 3HD1 LEU 16 42.040 66.565 15.707 109 HD21 LEU 16 1HD2 LEU 16 41.886 68.643 12.724 110 HD22 LEU 16 2HD2 LEU 16 43.581 68.012 12.664 111 HD23 LEU 16 3HD2 LEU 16 42.353 67.428 11.482 112 H GLN 17 HN GLN 17 45.697 63.530 14.207 113 HA GLN 17 HA GLN 17 44.747 61.047 13.264 114 HB2 GLN 17 HB1 GLN 17 45.924 61.132 11.187 115 HB3 GLN 17 HB2 GLN 17 44.806 62.532 11.404 116 HG2 GLN 17 HG1 GLN 17 46.733 64.018 11.987 117 HG3 GLN 17 HG2 GLN 17 47.836 62.597 11.850 118 HE21 GLN 17 1HE2 GLN 17 48.493 61.693 9.722 119 HE22 GLN 17 2HE2 GLN 17 48.173 62.709 8.365 120 H MDH 18 HN MDH 18 46.285 59.182 13.576 121 HB MDH 18 HB1 MDH 18 49.181 57.616 15.411 122 HG1 MDH 18 HG1 MDH 18 48.911 56.498 13.317 123 HG2 MDH 18 HG2 MDH 18 47.231 57.135 13.426 124 HG3 MDH 18 HG3 MDH 18 48.501 58.095 12.583 125 H CYS 19 HN CYS 19 45.263 58.618 15.933 126 HA CYS 19 HA CYS 19 45.489 59.388 18.658 127 HB2 CYS 19 HB1 CYS 19 43.439 57.543 17.176 128 HB3 CYS 19 HB2 CYS 19 43.336 58.365 18.785 129 H PHE 20 HN PHE 20 46.500 56.455 17.120 130 HA PHE 20 HA PHE 20 47.226 55.425 19.730 131 HB2 PHE 20 HB1 PHE 20 45.076 54.276 19.078 132 HB3 PHE 20 HB2 PHE 20 45.949 53.638 17.637 133 HD1 PHE 20 HD1 PHE 20 46.448 53.983 21.377 134 HD2 PHE 20 HD2 PHE 20 46.458 51.418 18.026 135 HE1 PHE 20 HE1 PHE 20 46.909 52.073 22.867 136 HE2 PHE 20 HE2 PHE 20 46.925 49.505 19.586 137 HZ PHE 20 HZ PHE 20 47.330 49.818 21.876 138 H ILE 21 HN ILE 21 48.728 53.559 19.603 139 HA ILE 21 HA ILE 21 50.377 53.707 17.180 140 HB ILE 21 HB ILE 21 52.451 53.852 18.890 141 HG12 ILE 21 1HG1 ILE 21 50.474 55.460 20.409 142 HG13 ILE 21 2HG1 ILE 21 50.924 53.749 20.783 143 HG21 ILE 21 1HG2 ILE 21 50.902 56.328 18.052 144 HG22 ILE 21 2HG2 ILE 21 52.622 56.180 18.542 145 HG23 ILE 21 3HG2 ILE 21 52.078 55.506 16.961 146 HD11 ILE 21 HD1 ILE 21 52.385 55.321 22.089 147 HD12 ILE 21 HD2 ILE 21 53.410 54.551 20.821 148 HD13 ILE 21 HD3 ILE 21 52.898 56.271 20.653 149 H GLN 22 HN GLN 22 51.873 50.700 18.402 150 HA GLN 22 HA GLN 22 52.220 52.833 16.406 151 HB2 GLN 22 HB1 GLN 22 54.243 51.359 17.339 152 HB3 GLN 22 HB2 GLN 22 53.509 50.053 16.318 153 HG2 GLN 22 HG1 GLN 22 54.156 51.171 14.225 154 HG3 GLN 22 HG2 GLN 22 54.213 52.713 15.169 155 HE21 GLN 22 1HE2 GLN 22 56.331 52.198 13.625 156 HE22 GLN 22 2HE2 GLN 22 57.705 51.551 14.453 157 H THR 23 HN THR 23 50.476 50.018 16.767 158 HA THR 23 HA THR 23 50.239 49.673 13.990 159 HB THR 23 HB THR 23 50.177 47.757 15.501 160 HG21 THR 23 1HG2 THR 23 47.300 48.484 16.150 161 HG22 THR 23 2HG2 THR 23 48.233 47.028 16.688 162 HG23 THR 23 3HG2 THR 23 48.694 48.670 17.273 163 H ALA 24 HN ALA 24 49.077 52.146 15.621 164 HA ALA 24 HA ALA 24 46.774 52.620 13.905 165 HB1 ALA 24 HB1 ALA 24 49.051 54.469 14.847 166 HB2 ALA 24 HB2 ALA 24 47.482 55.109 14.235 167 HB3 ALA 24 HB3 ALA 24 47.524 54.109 15.736 168 H THR 25 HN THR 25 50.349 52.333 13.219 169 HA THR 25 HA THR 25 49.169 51.405 10.734 170 HB THR 25 HB THR 25 51.900 52.489 10.573 171 HG21 THR 25 1HG2 THR 25 50.410 54.483 11.036 172 HG22 THR 25 2HG2 THR 25 50.825 54.447 9.285 173 HG23 THR 25 3HG2 THR 25 49.233 53.813 9.846 174 H CYS 26 HN CYS 26 49.010 49.442 11.266 175 HA CYS 26 HA CYS 26 51.323 47.976 11.062 176 HB2 CYS 26 HB1 CYS 26 50.382 46.160 12.677 177 HB3 CYS 26 HB2 CYS 26 50.997 47.658 13.484 178 H ASN 27 HN ASN 27 50.711 46.191 9.811 179 HA ASN 27 HA ASN 27 49.867 45.653 7.847 180 HB2 ASN 27 HB1 ASN 27 47.481 46.193 8.570 181 HB3 ASN 27 HB2 ASN 27 47.833 47.885 8.031 182 HD21 ASN 27 1HD2 ASN 27 46.851 48.172 6.173 183 HD22 ASN 27 2HD2 ASN 27 46.496 46.993 4.946 184 H CYS 28 HN CYS 28 50.408 49.019 8.959 185 HA CYS 28 HA CYS 28 52.141 49.593 6.768 186 HB2 CYS 28 HB1 CYS 28 52.519 50.665 9.605 187 HB3 CYS 28 HB2 CYS 28 53.013 51.291 7.986 188 H HIS 29 HN HIS 29 52.178 47.511 9.309 189 HA HIS 29 HA HIS 29 54.900 47.055 9.496 190 HB2 HIS 29 HB1 HIS 29 55.170 49.331 10.394 191 HB3 HIS 29 HB2 HIS 29 54.069 48.888 11.767 192 HD2 HIS 29 HD2 HIS 29 56.018 48.612 13.831 193 HE1 HIS 29 HE1 HIS 29 58.902 46.531 11.558 194 HE2 HIS 29 HE2 HIS 29 58.177 47.443 13.953 195 H ILE 30 HN ILE 30 55.539 46.147 11.747 196 HA ILE 30 HA ILE 30 53.787 43.965 12.436 197 HB ILE 30 HB ILE 30 56.236 44.942 13.981 198 HG12 ILE 30 1HG1 ILE 30 56.764 44.484 11.561 199 HG13 ILE 30 2HG1 ILE 30 57.527 43.269 12.664 200 HG21 ILE 30 1HG2 ILE 30 56.372 42.639 14.717 201 HG22 ILE 30 2HG2 ILE 30 54.841 43.355 15.310 202 HG23 ILE 30 3HG2 ILE 30 54.820 42.247 13.889 203 HD11 ILE 30 HD1 ILE 30 55.120 43.091 10.879 204 HD12 ILE 30 HD2 ILE 30 56.695 42.234 10.749 205 HD13 ILE 30 HD3 ILE 30 55.466 41.681 11.937 206 H DHA 31 HN DHA 31 52.446 43.687 13.886 207 HB1 DHA 31 HB1 DHA 31 49.983 43.652 14.029 208 HB2 DHA 31 HB2 DHA 31 49.451 44.112 15.787 209 H LYS 32 HN LYS 32 52.670 46.805 16.218 210 HA LYS 32 HA LYS 32 52.285 46.268 19.037 211 HB2 LYS 32 HB1 LYS 32 54.894 46.415 19.299 212 HB3 LYS 32 HB2 LYS 32 54.159 44.827 18.859 213 HG2 LYS 32 HG1 LYS 32 56.178 45.254 17.743 214 HG3 LYS 32 HG2 LYS 32 54.794 45.098 16.581 215 HD2 LYS 32 HD1 LYS 32 56.092 46.771 15.675 216 HD3 LYS 32 HD2 LYS 32 54.912 47.729 16.672 217 HE2 LYS 32 HE1 LYS 32 57.705 47.092 17.810 218 HE3 LYS 32 HE2 LYS 32 57.394 48.587 16.823 219 HZ1 LYS 32 HZ1 LYS 32 56.553 47.734 19.414 220 HZ2 LYS 32 HZ2 LYS 32 57.089 49.255 18.873 221 HZ3 LYS 32 HZ3 LYS 32 55.469 48.790 18.650
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