NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
560024 | 2m5q | 19071 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 HIS 1 H1 HIS 1 43.055 6.162 -10.619 2 H2 HIS 1 H2 HIS 1 42.376 6.717 -9.164 3 H3 HIS 1 H3 HIS 1 44.043 6.890 -9.448 4 HA HIS 1 HA HIS 1 43.786 8.625 -10.892 5 HB2 HIS 1 HB2 HIS 1 41.203 7.241 -11.458 6 HB3 HIS 1 HB3 HIS 1 41.268 8.985 -11.746 7 HD2 HIS 1 HD2 HIS 1 43.611 5.914 -12.790 8 HE1 HIS 1 HE1 HIS 1 43.514 8.745 -15.921 9 HE2 HIS 1 HE2 HIS 1 44.436 6.490 -15.200 10 H AIB 2 H AIB 2 43.119 10.751 -10.397 11 HB11 AIB 2 HB11 AIB 2 40.097 10.893 -9.169 12 HB12 AIB 2 HB12 AIB 2 40.579 12.448 -9.846 13 HB13 AIB 2 HB13 AIB 2 40.203 12.313 -8.128 14 HB21 AIB 2 HB21 AIB 2 43.218 13.129 -7.871 15 HB22 AIB 2 HB22 AIB 2 42.343 13.509 -9.355 16 HB23 AIB 2 HB23 AIB 2 43.818 12.545 -9.423 17 H GLN 3 H GLN 3 44.121 10.397 -7.590 18 HA GLN 3 HA GLN 3 43.010 9.072 -5.413 19 HB2 GLN 3 HB2 GLN 3 45.432 9.022 -6.355 20 HB3 GLN 3 HB3 GLN 3 45.723 10.359 -5.242 21 HG2 GLN 3 HG2 GLN 3 44.419 8.653 -3.587 22 HG3 GLN 3 HG3 GLN 3 45.208 7.494 -4.664 23 HE21 GLN 3 HE21 GLN 3 45.699 9.232 -1.835 24 HE22 GLN 3 HE22 GLN 3 47.397 9.242 -1.826 25 H GLY 4 H GLY 4 43.148 12.384 -5.963 26 HA2 GLY 4 HA2 GLY 4 42.937 13.008 -3.075 27 HA3 GLY 4 HA3 GLY 4 43.443 14.154 -4.314 28 H THR 5 H THR 5 41.160 12.673 -5.935 29 HA THR 5 HA THR 5 38.880 14.086 -4.714 30 HB THR 5 HB THR 5 38.661 15.527 -6.420 31 HG1 THR 5 HG1 THR 5 38.554 14.762 -8.549 32 HG21 THR 5 HG21 THR 5 40.614 15.907 -7.841 33 HG22 THR 5 HG22 THR 5 41.234 14.303 -7.449 34 HG23 THR 5 HG23 THR 5 41.136 15.541 -6.196 35 H PHE 6 H PHE 6 39.880 11.214 -5.183 36 HA PHE 6 HA PHE 6 37.558 10.194 -6.689 37 HB2 PHE 6 HB2 PHE 6 39.520 9.255 -7.591 38 HB3 PHE 6 HB3 PHE 6 40.240 9.011 -6.000 39 HD1 PHE 6 HD1 PHE 6 37.569 7.852 -8.306 40 HD2 PHE 6 HD2 PHE 6 39.757 7.063 -4.695 41 HE1 PHE 6 HE1 PHE 6 36.594 5.574 -8.213 42 HE2 PHE 6 HE2 PHE 6 38.782 4.785 -4.601 43 HZ PHE 6 HZ PHE 6 37.202 4.039 -6.360 44 H THR 7 H THR 7 38.742 10.656 -3.551 45 HA THR 7 HA THR 7 37.081 8.487 -2.446 46 HB THR 7 HB THR 7 38.321 8.725 -0.416 47 HG1 THR 7 HG1 THR 7 39.935 10.764 -1.333 48 HG21 THR 7 HG21 THR 7 40.331 9.149 -2.636 49 HG22 THR 7 HG22 THR 7 39.458 7.633 -2.408 50 HG23 THR 7 HG23 THR 7 40.545 8.222 -1.151 51 H SER 8 H SER 8 37.938 11.763 -1.328 52 HA SER 8 HA SER 8 35.693 12.243 0.204 53 HB2 SER 8 HB2 SER 8 36.511 14.638 -1.227 54 HB3 SER 8 HB3 SER 8 36.643 14.256 0.488 55 HG SER 8 HG SER 8 38.425 13.715 -1.626 56 H ASP 9 H ASP 9 36.168 13.307 -3.175 57 HA ASP 9 HA ASP 9 33.431 14.100 -3.479 58 HB2 ASP 9 HB2 ASP 9 35.625 13.635 -5.511 59 HB3 ASP 9 HB3 ASP 9 34.044 14.327 -5.887 60 H TYR 10 H TYR 10 33.650 11.420 -2.539 61 HA TYR 10 HA TYR 10 32.087 10.088 -4.616 62 HB2 TYR 10 HB2 TYR 10 34.786 9.491 -4.371 63 HB3 TYR 10 HB3 TYR 10 33.993 8.225 -3.434 64 HD1 TYR 10 HD1 TYR 10 31.513 7.686 -4.737 65 HD2 TYR 10 HD2 TYR 10 35.288 8.707 -6.516 66 HE1 TYR 10 HE1 TYR 10 30.832 6.549 -6.834 67 HE2 TYR 10 HE2 TYR 10 34.607 7.572 -8.612 68 HH TYR 10 HH TYR 10 33.084 6.229 -9.562 69 H SER 11 H SER 11 31.695 11.251 -1.903 70 HA SER 11 HA SER 11 30.716 8.821 -0.519 71 HB2 SER 11 HB2 SER 11 32.566 10.351 0.554 72 HB3 SER 11 HB3 SER 11 31.201 11.400 0.925 73 HG SER 11 HG SER 11 30.205 9.487 1.853 74 H LYS 12 H LYS 12 29.641 11.066 -2.485 75 HA LYS 12 HA LYS 12 27.075 11.387 -1.053 76 HB2 LYS 12 HB2 LYS 12 28.549 13.431 -2.724 77 HB3 LYS 12 HB3 LYS 12 26.854 13.589 -2.263 78 HG2 LYS 12 HG2 LYS 12 28.834 12.991 -0.107 79 HG3 LYS 12 HG3 LYS 12 28.796 14.627 -0.760 80 HD2 LYS 12 HD2 LYS 12 26.626 15.021 -0.023 81 HD3 LYS 12 HD3 LYS 12 26.211 13.306 -0.012 82 HE2 LYS 12 HE2 LYS 12 27.572 12.931 1.961 83 HE3 LYS 12 HE3 LYS 12 28.180 14.589 1.904 84 HZ1 LYS 12 HZ1 LYS 12 25.403 14.720 1.872 85 HZ2 LYS 12 HZ2 LYS 12 26.454 15.198 3.119 86 HZ3 LYS 12 HZ3 LYS 12 25.819 13.621 3.095 87 H LYS 13 H LYS 13 27.968 9.365 -2.983 88 HA LYS 13 HA LYS 13 25.929 9.861 -5.058 89 HB2 LYS 13 HB2 LYS 13 28.356 10.142 -5.866 90 HB3 LYS 13 HB3 LYS 13 28.496 8.397 -5.650 91 HG2 LYS 13 HG2 LYS 13 26.147 8.534 -7.016 92 HG3 LYS 13 HG3 LYS 13 26.988 9.932 -7.686 93 HD2 LYS 13 HD2 LYS 13 29.011 8.297 -7.922 94 HD3 LYS 13 HD3 LYS 13 27.790 7.033 -7.769 95 HE2 LYS 13 HE2 LYS 13 27.725 7.318 -10.054 96 HE3 LYS 13 HE3 LYS 13 26.546 8.540 -9.588 97 HZ1 LYS 13 HZ1 LYS 13 28.117 10.211 -10.117 98 H LEU 14 H LEU 14 28.138 7.148 -4.392 99 HA LEU 14 HA LEU 14 26.412 5.095 -4.878 100 HB2 LEU 14 HB2 LEU 14 27.966 4.488 -2.504 101 HB3 LEU 14 HB3 LEU 14 28.065 3.793 -4.121 102 HG LEU 14 HG LEU 14 29.305 5.883 -4.836 103 HD11 LEU 14 HD11 LEU 14 29.578 7.585 -3.383 104 HD12 LEU 14 HD12 LEU 14 30.226 6.498 -2.155 105 HD13 LEU 14 HD13 LEU 14 28.485 6.742 -2.287 106 HD21 LEU 14 HD21 LEU 14 30.581 4.268 -2.608 107 HD22 LEU 14 HD22 LEU 14 31.424 5.107 -3.912 108 HD23 LEU 14 HD23 LEU 14 30.405 3.713 -4.272 109 H ASP 15 H ASP 15 26.745 6.920 -1.866 110 HA ASP 15 HA ASP 15 24.721 5.403 -0.490 111 HB2 ASP 15 HB2 ASP 15 26.691 6.824 0.496 112 HB3 ASP 15 HB3 ASP 15 25.561 8.170 0.322 113 H AIB 16 H AIB 16 23.741 6.138 -2.914 114 HB11 AIB 16 HB11 AIB 16 21.113 7.388 -1.075 115 HB12 AIB 16 HB12 AIB 16 20.592 6.163 -2.231 116 HB13 AIB 16 HB13 AIB 16 20.069 7.837 -2.422 117 HB21 AIB 16 HB21 AIB 16 22.200 9.433 -2.074 118 HB22 AIB 16 HB22 AIB 16 21.616 9.430 -3.737 119 HB23 AIB 16 HB23 AIB 16 23.334 9.200 -3.406 120 H ARG 17 H ARG 17 23.803 6.385 -4.471 121 HA ARG 17 HA ARG 17 21.915 6.003 -6.716 122 HB2 ARG 17 HB2 ARG 17 24.065 7.451 -6.966 123 HB3 ARG 17 HB3 ARG 17 24.908 5.900 -6.976 124 HG2 ARG 17 HG2 ARG 17 24.483 6.012 -9.225 125 HG3 ARG 17 HG3 ARG 17 22.921 5.355 -8.735 126 HD2 ARG 17 HD2 ARG 17 22.219 7.828 -8.414 127 HD3 ARG 17 HD3 ARG 17 23.639 8.210 -9.383 128 HE ARG 17 HE ARG 17 22.186 6.251 -10.760 129 HH11 ARG 17 HH11 ARG 17 21.846 9.510 -9.648 130 HH12 ARG 17 HH12 ARG 17 20.779 9.982 -10.928 131 HH21 ARG 17 HH21 ARG 17 20.789 6.863 -12.442 132 HH22 ARG 17 HH22 ARG 17 20.181 8.483 -12.511 133 H ARG 18 H ARG 18 23.800 4.542 -4.310 134 HA ARG 18 HA ARG 18 23.494 1.881 -5.575 135 HB2 ARG 18 HB2 ARG 18 25.891 2.820 -5.087 136 HB3 ARG 18 HB3 ARG 18 25.491 2.469 -3.400 137 HG2 ARG 18 HG2 ARG 18 24.980 0.135 -4.005 138 HG3 ARG 18 HG3 ARG 18 25.378 0.480 -5.688 139 HD2 ARG 18 HD2 ARG 18 27.677 1.018 -5.073 140 HD3 ARG 18 HD3 ARG 18 27.300 0.801 -3.367 141 HE ARG 18 HE ARG 18 27.436 -1.500 -3.680 142 HH11 ARG 18 HH11 ARG 18 27.225 0.173 -6.702 143 HH12 ARG 18 HH12 ARG 18 27.528 -1.238 -7.661 144 HH21 ARG 18 HH21 ARG 18 27.829 -3.354 -4.931 145 HH22 ARG 18 HH22 ARG 18 27.870 -3.234 -6.659 146 H ALA 19 H ALA 19 22.171 3.938 -3.592 147 HA ALA 19 HA ALA 19 21.411 1.950 -1.548 148 HB1 ALA 19 HB1 ALA 19 22.440 4.643 -1.343 149 HB2 ALA 19 HB2 ALA 19 22.161 3.456 -0.063 150 HB3 ALA 19 HB3 ALA 19 20.851 4.518 -0.581 151 H GLN 20 H GLN 20 20.382 4.710 -3.527 152 HA GLN 20 HA GLN 20 17.641 4.615 -2.777 153 HB2 GLN 20 HB2 GLN 20 18.705 6.578 -3.856 154 HB3 GLN 20 HB3 GLN 20 18.855 5.652 -5.350 155 HG2 GLN 20 HG2 GLN 20 16.157 5.440 -4.387 156 HG3 GLN 20 HG3 GLN 20 16.612 7.142 -4.447 157 HE21 GLN 20 HE21 GLN 20 15.532 4.523 -6.355 158 HE22 GLN 20 HE22 GLN 20 15.849 5.201 -7.879 159 H ASP 21 H ASP 21 19.037 3.756 -5.950 160 HA ASP 21 HA ASP 21 16.882 2.359 -6.962 161 HB2 ASP 21 HB2 ASP 21 19.538 2.795 -7.720 162 HB3 ASP 21 HB3 ASP 21 19.376 1.037 -7.646 163 H PHE 22 H PHE 22 19.305 1.321 -4.651 164 HA PHE 22 HA PHE 22 18.556 -1.454 -4.690 165 HB2 PHE 22 HB2 PHE 22 20.809 -0.407 -3.978 166 HB3 PHE 22 HB3 PHE 22 20.007 -0.095 -2.433 167 HD1 PHE 22 HD1 PHE 22 20.423 -2.831 -4.950 168 HD2 PHE 22 HD2 PHE 22 20.049 -1.772 -0.806 169 HE1 PHE 22 HE1 PHE 22 20.726 -5.196 -4.321 170 HE2 PHE 22 HE2 PHE 22 20.354 -4.147 -0.173 171 HZ PHE 22 HZ PHE 22 20.697 -5.866 -1.931 172 H VAL 23 H VAL 23 18.478 0.792 -1.920 173 HA VAL 23 HA VAL 23 16.611 -0.634 -0.430 174 HB VAL 23 HB VAL 23 17.121 2.346 -0.440 175 HG11 VAL 23 HG11 VAL 23 15.218 2.246 0.846 176 HG12 VAL 23 HG12 VAL 23 16.382 1.770 2.081 177 HG13 VAL 23 HG13 VAL 23 15.443 0.541 1.234 178 HG21 VAL 23 HG21 VAL 23 18.193 0.816 1.777 179 HG22 VAL 23 HG22 VAL 23 19.042 1.871 0.647 180 HG23 VAL 23 HG23 VAL 23 18.785 0.174 0.245 181 H GLN 24 H GLN 24 16.056 0.711 -3.387 182 HA GLN 24 HA GLN 24 13.395 1.730 -2.902 183 HB2 GLN 24 HB2 GLN 24 14.433 2.877 -4.642 184 HB3 GLN 24 HB3 GLN 24 15.184 1.419 -5.290 185 HG2 GLN 24 HG2 GLN 24 12.188 1.665 -5.293 186 HG3 GLN 24 HG3 GLN 24 13.127 2.499 -6.523 187 HE21 GLN 24 HE21 GLN 24 14.739 -0.340 -5.493 188 HE22 GLN 24 HE22 GLN 24 14.251 -1.352 -6.766 189 H TRP 25 H TRP 25 14.890 -1.281 -3.883 190 HA TRP 25 HA TRP 25 12.240 -2.407 -4.562 191 HB2 TRP 25 HB2 TRP 25 13.456 -3.443 -6.133 192 HB3 TRP 25 HB3 TRP 25 14.983 -2.983 -5.359 193 HD1 TRP 25 HD1 TRP 25 12.375 -5.713 -5.442 194 HE1 TRP 25 HE1 TRP 25 13.260 -7.761 -4.110 195 HE3 TRP 25 HE3 TRP 25 16.483 -3.647 -3.367 196 HZ2 TRP 25 HZ2 TRP 25 15.477 -8.380 -2.350 197 HZ3 TRP 25 HZ3 TRP 25 17.970 -4.915 -1.894 198 HH2 TRP 25 HH2 TRP 25 17.482 -7.297 -1.371 199 H LEU 26 H LEU 26 14.975 -2.669 -2.377 200 HA LEU 26 HA LEU 26 14.356 -4.987 -1.050 201 HB2 LEU 26 HB2 LEU 26 16.383 -3.556 -0.651 202 HB3 LEU 26 HB3 LEU 26 15.365 -2.474 0.289 203 HG LEU 26 HG LEU 26 14.707 -4.608 1.639 204 HD11 LEU 26 HD11 LEU 26 15.682 -6.332 0.250 205 HD12 LEU 26 HD12 LEU 26 16.630 -6.248 1.733 206 HD13 LEU 26 HD13 LEU 26 17.248 -5.517 0.257 207 HD21 LEU 26 HD21 LEU 26 16.664 -4.290 3.111 208 HD22 LEU 26 HD22 LEU 26 16.049 -2.743 2.526 209 HD23 LEU 26 HD23 LEU 26 17.502 -3.443 1.810 210 H MET 27 H MET 27 12.945 -1.773 -0.725 211 HA MET 27 HA MET 27 11.191 -2.688 1.445 212 HB2 MET 27 HB2 MET 27 10.599 -0.372 1.725 213 HB3 MET 27 HB3 MET 27 12.357 -0.463 1.564 214 HG2 MET 27 HG2 MET 27 12.076 1.134 -0.030 215 HG3 MET 27 HG3 MET 27 11.582 -0.220 -1.055 216 HE1 MET 27 HE1 MET 27 8.957 2.104 -2.309 217 HE2 MET 27 HE2 MET 27 10.447 1.199 -2.560 218 HE3 MET 27 HE3 MET 27 10.501 2.763 -1.753 219 H ASN 28 H ASN 28 11.118 -3.154 -1.699 220 HA ASN 28 HA ASN 28 8.328 -2.330 -2.134 221 HB2 ASN 28 HB2 ASN 28 10.073 -1.826 -3.870 222 HB3 ASN 28 HB3 ASN 28 10.248 -3.563 -4.115 223 HD21 ASN 28 HD21 ASN 28 9.458 -2.631 -6.399 224 HD22 ASN 28 HD22 ASN 28 7.779 -2.682 -6.643 225 H THR 29 H THR 29 9.802 -4.820 -0.717 226 HA THR 29 HA THR 29 7.709 -6.714 -1.558 227 HB THR 29 HB THR 29 9.532 -8.526 -1.257 228 HG1 THR 29 HG1 THR 29 11.109 -7.094 -0.448 229 HG21 THR 29 HG21 THR 29 9.093 -6.671 -3.554 230 HG22 THR 29 HG22 THR 29 8.762 -8.398 -3.428 231 HG23 THR 29 HG23 THR 29 10.414 -7.833 -3.677 232 HN1 NH2 30 HN1 NH2 30 8.179 -8.798 0.156 233 HN2 NH2 30 HN2 NH2 30 8.165 -8.269 1.769 234 H GGL 101 H1 GGL 101 32.228 13.315 -8.072 235 HA GGL 101 HA GGL 101 30.996 10.895 -7.660 236 HB2 GGL 101 HB2 GGL 101 31.153 11.522 -10.617 237 HB3 GGL 101 HB3 GGL 101 29.680 11.276 -9.680 238 HG2 GGL 101 HG2 GGL 101 31.695 9.284 -10.618 239 HG3 GGL 101 HG3 GGL 101 30.939 8.993 -9.052 240 H GGL 102 H GGL 102 29.592 12.969 -10.315 241 HA GGL 102 HA GGL 102 30.358 15.300 -11.962 242 HB2 GGL 102 HB2 GGL 102 32.232 14.467 -9.865 243 HB3 GGL 102 HB3 GGL 102 31.604 16.070 -10.244 244 HG2 GGL 102 HG2 GGL 102 30.747 15.550 -8.084 245 HG3 GGL 102 HG3 GGL 102 29.402 15.296 -9.193 246 H21 PLM 103 H21 PLM 103 27.281 12.181 -10.798 247 H22 PLM 103 H22 PLM 103 26.513 12.930 -12.196 248 H31 PLM 103 H31 PLM 103 28.393 12.113 -13.618 249 H32 PLM 103 H32 PLM 103 29.064 11.288 -12.212 250 H41 PLM 103 H41 PLM 103 26.289 10.802 -13.339 251 H42 PLM 103 H42 PLM 103 27.044 9.926 -12.007 252 H51 PLM 103 H51 PLM 103 27.672 9.822 -14.941 253 H52 PLM 103 H52 PLM 103 28.951 9.481 -13.776 254 H61 PLM 103 H61 PLM 103 26.246 8.110 -13.791 255 H62 PLM 103 H62 PLM 103 27.624 7.709 -12.767 256 H71 PLM 103 H71 PLM 103 27.208 7.191 -15.685 257 H72 PLM 103 H72 PLM 103 28.853 7.484 -15.121 258 H81 PLM 103 H81 PLM 103 27.924 5.031 -15.127 259 H82 PLM 103 H82 PLM 103 27.082 5.533 -13.661 260 H91 PLM 103 H91 PLM 103 29.971 5.062 -14.117 261 H92 PLM 103 H92 PLM 103 29.585 6.484 -13.148 262 HA1 PLM 103 HA1 PLM 103 28.214 5.110 -11.645 263 HA2 PLM 103 HA2 PLM 103 28.544 3.683 -12.626 264 HB1 PLM 103 HB1 PLM 103 30.689 5.343 -11.269 265 HB2 PLM 103 HB2 PLM 103 30.912 3.808 -12.108 266 HC1 PLM 103 HC1 PLM 103 29.075 2.986 -10.372 267 HC2 PLM 103 HC2 PLM 103 30.778 3.050 -9.921 268 HD1 PLM 103 HD1 PLM 103 30.494 4.910 -8.579 269 HD2 PLM 103 HD2 PLM 103 29.140 5.523 -9.528 270 HE1 PLM 103 HE1 PLM 103 28.681 4.497 -7.157 271 HE2 PLM 103 HE2 PLM 103 28.853 2.952 -7.990 272 HF1 PLM 103 HF1 PLM 103 26.709 4.995 -8.209 273 HF2 PLM 103 HF2 PLM 103 27.203 4.235 -9.720 274 HG1 PLM 103 HG1 PLM 103 25.325 3.101 -8.303 275 HG2 PLM 103 HG2 PLM 103 26.596 2.089 -8.987 276 HG3 PLM 103 HG3 PLM 103 26.655 2.551 -7.285 Start of MODEL 2 1 H1 HIS 1 H1 HIS 1 44.511 2.523 4.050 2 H2 HIS 1 H2 HIS 1 42.856 2.674 3.698 3 H3 HIS 1 H3 HIS 1 43.411 1.384 4.657 4 HA HIS 1 HA HIS 1 43.468 2.595 6.518 5 HB2 HIS 1 HB2 HIS 1 44.318 4.951 4.803 6 HB3 HIS 1 HB3 HIS 1 44.308 4.911 6.571 7 HD2 HIS 1 HD2 HIS 1 46.347 3.253 7.732 8 HE1 HIS 1 HE1 HIS 1 48.434 2.616 4.118 9 HE2 HIS 1 HE2 HIS 1 48.538 2.343 6.641 10 H AIB 2 H AIB 2 41.742 3.354 3.697 11 HB11 AIB 2 HB11 AIB 2 39.474 2.785 5.722 12 HB12 AIB 2 HB12 AIB 2 38.084 3.532 4.935 13 HB13 AIB 2 HB13 AIB 2 38.942 4.394 6.214 14 HB21 AIB 2 HB21 AIB 2 40.217 3.608 2.330 15 HB22 AIB 2 HB22 AIB 2 39.068 4.938 2.481 16 HB23 AIB 2 HB23 AIB 2 38.620 3.321 3.023 17 H GLN 3 H GLN 3 38.080 5.868 5.051 18 HA GLN 3 HA GLN 3 37.757 8.128 5.319 19 HB2 GLN 3 HB2 GLN 3 40.661 8.033 6.174 20 HB3 GLN 3 HB3 GLN 3 39.511 9.320 6.540 21 HG2 GLN 3 HG2 GLN 3 38.072 7.305 7.496 22 HG3 GLN 3 HG3 GLN 3 39.656 6.534 7.632 23 HE21 GLN 3 HE21 GLN 3 40.576 6.879 9.649 24 HE22 GLN 3 HE22 GLN 3 40.367 8.275 10.593 25 H GLY 4 H GLY 4 41.183 8.450 4.505 26 HA2 GLY 4 HA2 GLY 4 40.831 10.531 2.674 27 HA3 GLY 4 HA3 GLY 4 42.246 9.484 2.743 28 H THR 5 H THR 5 39.877 7.355 2.375 29 HA THR 5 HA THR 5 39.661 7.613 -0.550 30 HB THR 5 HB THR 5 40.912 5.795 -0.924 31 HG1 THR 5 HG1 THR 5 39.475 4.268 -0.645 32 HG21 THR 5 HG21 THR 5 42.298 4.918 0.905 33 HG22 THR 5 HG22 THR 5 41.247 5.699 2.086 34 HG23 THR 5 HG23 THR 5 42.213 6.678 0.984 35 H PHE 6 H PHE 6 38.193 7.152 2.401 36 HA PHE 6 HA PHE 6 35.742 6.188 1.091 37 HB2 PHE 6 HB2 PHE 6 36.637 4.226 2.177 38 HB3 PHE 6 HB3 PHE 6 36.916 5.123 3.668 39 HD1 PHE 6 HD1 PHE 6 34.212 4.067 1.313 40 HD2 PHE 6 HD2 PHE 6 35.228 5.283 5.305 41 HE1 PHE 6 HE1 PHE 6 31.904 3.549 2.057 42 HE2 PHE 6 HE2 PHE 6 32.921 4.764 6.050 43 HZ PHE 6 HZ PHE 6 31.258 3.897 4.426 44 H THR 7 H THR 7 33.811 6.524 2.598 45 HA THR 7 HA THR 7 32.564 7.841 4.041 46 HB THR 7 HB THR 7 34.861 9.577 4.786 47 HG1 THR 7 HG1 THR 7 35.591 7.913 6.195 48 HG21 THR 7 HG21 THR 7 33.834 9.344 6.997 49 HG22 THR 7 HG22 THR 7 32.725 8.125 6.370 50 HG23 THR 7 HG23 THR 7 32.612 9.791 5.806 51 H SER 8 H SER 8 35.183 9.819 2.624 52 HA SER 8 HA SER 8 33.708 12.131 2.170 53 HB2 SER 8 HB2 SER 8 36.108 12.138 1.907 54 HB3 SER 8 HB3 SER 8 36.014 10.963 0.598 55 HG SER 8 HG SER 8 34.469 13.233 0.284 56 H ASP 9 H ASP 9 34.635 9.898 -0.450 57 HA ASP 9 HA ASP 9 32.800 10.803 -2.330 58 HB2 ASP 9 HB2 ASP 9 33.795 7.960 -2.021 59 HB3 ASP 9 HB3 ASP 9 33.169 8.703 -3.497 60 H TYR 10 H TYR 10 32.457 8.135 0.001 61 HA TYR 10 HA TYR 10 29.818 7.425 -0.779 62 HB2 TYR 10 HB2 TYR 10 31.546 6.873 1.612 63 HB3 TYR 10 HB3 TYR 10 29.839 6.428 1.641 64 HD1 TYR 10 HD1 TYR 10 28.937 4.765 0.069 65 HD2 TYR 10 HD2 TYR 10 33.114 5.766 0.123 66 HE1 TYR 10 HE1 TYR 10 29.438 2.744 -1.277 67 HE2 TYR 10 HE2 TYR 10 33.616 3.743 -1.222 68 HH TYR 10 HH TYR 10 32.316 1.371 -1.527 69 H SER 11 H SER 11 28.195 7.388 1.319 70 HA SER 11 HA SER 11 26.672 8.640 2.497 71 HB2 SER 11 HB2 SER 11 29.090 9.230 3.574 72 HB3 SER 11 HB3 SER 11 28.580 10.831 3.050 73 HG SER 11 HG SER 11 27.487 9.121 4.960 74 H LYS 12 H LYS 12 27.885 9.516 -0.365 75 HA LYS 12 HA LYS 12 26.061 11.820 -0.587 76 HB2 LYS 12 HB2 LYS 12 28.933 11.662 -1.480 77 HB3 LYS 12 HB3 LYS 12 27.791 12.779 -2.230 78 HG2 LYS 12 HG2 LYS 12 27.757 12.785 0.723 79 HG3 LYS 12 HG3 LYS 12 29.261 13.360 0.004 80 HD2 LYS 12 HD2 LYS 12 28.006 14.957 -1.384 81 HD3 LYS 12 HD3 LYS 12 26.490 14.372 -0.699 82 HE2 LYS 12 HE2 LYS 12 27.019 16.330 0.550 83 HE3 LYS 12 HE3 LYS 12 27.472 14.979 1.593 84 HZ1 LYS 12 HZ1 LYS 12 29.367 16.365 -0.219 85 HZ2 LYS 12 HZ2 LYS 12 29.738 15.224 0.982 86 HZ3 LYS 12 HZ3 LYS 12 29.172 16.764 1.417 87 H LYS 13 H LYS 13 28.225 9.876 -2.667 88 HA LYS 13 HA LYS 13 26.214 9.864 -4.768 89 HB2 LYS 13 HB2 LYS 13 28.562 10.165 -5.379 90 HB3 LYS 13 HB3 LYS 13 28.971 8.618 -4.638 91 HG2 LYS 13 HG2 LYS 13 28.246 7.449 -6.433 92 HG3 LYS 13 HG3 LYS 13 26.763 8.399 -6.547 93 HD2 LYS 13 HD2 LYS 13 28.005 10.217 -7.659 94 HD3 LYS 13 HD3 LYS 13 29.490 9.271 -7.549 95 HE2 LYS 13 HE2 LYS 13 28.481 7.503 -8.928 96 HE3 LYS 13 HE3 LYS 13 26.980 8.419 -9.020 97 HZ1 LYS 13 HZ1 LYS 13 28.940 10.128 -9.959 98 H LEU 14 H LEU 14 28.233 7.076 -4.074 99 HA LEU 14 HA LEU 14 26.478 5.103 -4.660 100 HB2 LEU 14 HB2 LEU 14 28.294 4.929 -2.255 101 HB3 LEU 14 HB3 LEU 14 27.748 3.612 -3.293 102 HG LEU 14 HG LEU 14 28.876 5.327 -5.115 103 HD11 LEU 14 HD11 LEU 14 30.760 5.277 -2.753 104 HD12 LEU 14 HD12 LEU 14 29.688 6.642 -3.061 105 HD13 LEU 14 HD13 LEU 14 30.912 6.198 -4.250 106 HD21 LEU 14 HD21 LEU 14 30.755 3.702 -5.114 107 HD22 LEU 14 HD22 LEU 14 29.191 2.893 -4.994 108 HD23 LEU 14 HD23 LEU 14 30.199 3.081 -3.561 109 H ASP 15 H ASP 15 26.727 6.758 -1.530 110 HA ASP 15 HA ASP 15 24.574 5.258 -0.351 111 HB2 ASP 15 HB2 ASP 15 26.551 6.635 0.765 112 HB3 ASP 15 HB3 ASP 15 25.375 7.950 0.675 113 H AIB 16 H AIB 16 23.774 6.167 -2.799 114 HB11 AIB 16 HB11 AIB 16 21.030 7.661 -1.070 115 HB12 AIB 16 HB12 AIB 16 20.697 6.249 -2.073 116 HB13 AIB 16 HB13 AIB 16 20.087 7.834 -2.548 117 HB21 AIB 16 HB21 AIB 16 23.485 9.238 -3.258 118 HB22 AIB 16 HB22 AIB 16 22.389 9.465 -1.893 119 HB23 AIB 16 HB23 AIB 16 21.775 9.565 -3.543 120 H ARG 17 H ARG 17 23.907 6.483 -4.359 121 HA ARG 17 HA ARG 17 22.088 6.239 -6.679 122 HB2 ARG 17 HB2 ARG 17 24.571 7.464 -6.533 123 HB3 ARG 17 HB3 ARG 17 24.941 5.872 -7.195 124 HG2 ARG 17 HG2 ARG 17 24.453 7.237 -9.087 125 HG3 ARG 17 HG3 ARG 17 23.005 6.264 -8.830 126 HD2 ARG 17 HD2 ARG 17 22.570 8.473 -7.213 127 HD3 ARG 17 HD3 ARG 17 23.361 9.164 -8.627 128 HE ARG 17 HE ARG 17 20.698 8.156 -8.520 129 HH11 ARG 17 HH11 ARG 17 23.533 8.324 -10.497 130 HH12 ARG 17 HH12 ARG 17 22.662 8.233 -11.992 131 HH21 ARG 17 HH21 ARG 17 19.551 8.040 -10.476 132 HH22 ARG 17 HH22 ARG 17 20.409 8.073 -11.980 133 H ARG 18 H ARG 18 23.831 4.624 -4.273 134 HA ARG 18 HA ARG 18 23.524 2.033 -5.677 135 HB2 ARG 18 HB2 ARG 18 25.920 2.874 -5.093 136 HB3 ARG 18 HB3 ARG 18 25.468 2.505 -3.422 137 HG2 ARG 18 HG2 ARG 18 24.641 0.232 -4.586 138 HG3 ARG 18 HG3 ARG 18 25.917 0.664 -5.723 139 HD2 ARG 18 HD2 ARG 18 27.030 -0.627 -4.090 140 HD3 ARG 18 HD3 ARG 18 27.388 1.036 -3.639 141 HE ARG 18 HE ARG 18 25.176 0.535 -2.181 142 HH11 ARG 18 HH11 ARG 18 28.085 -1.254 -2.742 143 HH12 ARG 18 HH12 ARG 18 28.074 -2.023 -1.190 144 HH21 ARG 18 HH21 ARG 18 25.156 -0.469 -0.144 145 HH22 ARG 18 HH22 ARG 18 26.416 -1.578 0.281 146 H ALA 19 H ALA 19 22.262 4.052 -3.565 147 HA ALA 19 HA ALA 19 21.398 1.985 -1.646 148 HB1 ALA 19 HB1 ALA 19 22.337 4.725 -1.361 149 HB2 ALA 19 HB2 ALA 19 22.167 3.463 -0.134 150 HB3 ALA 19 HB3 ALA 19 20.777 4.463 -0.569 151 H GLN 20 H GLN 20 20.438 4.636 -3.759 152 HA GLN 20 HA GLN 20 17.647 4.510 -3.064 153 HB2 GLN 20 HB2 GLN 20 18.805 6.536 -4.018 154 HB3 GLN 20 HB3 GLN 20 18.878 5.688 -5.564 155 HG2 GLN 20 HG2 GLN 20 16.227 5.384 -4.729 156 HG3 GLN 20 HG3 GLN 20 16.628 7.048 -4.312 157 HE21 GLN 20 HE21 GLN 20 18.385 7.753 -6.386 158 HE22 GLN 20 HE22 GLN 20 17.567 7.674 -7.872 159 H ASP 21 H ASP 21 19.305 3.801 -6.147 160 HA ASP 21 HA ASP 21 17.223 2.412 -7.360 161 HB2 ASP 21 HB2 ASP 21 18.710 2.225 -9.028 162 HB3 ASP 21 HB3 ASP 21 19.884 3.018 -7.971 163 H PHE 22 H PHE 22 18.913 1.573 -4.597 164 HA PHE 22 HA PHE 22 18.485 -1.317 -4.959 165 HB2 PHE 22 HB2 PHE 22 20.737 -0.293 -4.229 166 HB3 PHE 22 HB3 PHE 22 19.946 -0.023 -2.672 167 HD1 PHE 22 HD1 PHE 22 20.336 -2.695 -5.261 168 HD2 PHE 22 HD2 PHE 22 20.026 -1.736 -1.088 169 HE1 PHE 22 HE1 PHE 22 20.655 -5.069 -4.694 170 HE2 PHE 22 HE2 PHE 22 20.349 -4.120 -0.517 171 HZ PHE 22 HZ PHE 22 20.670 -5.797 -2.319 172 H VAL 23 H VAL 23 18.400 0.871 -2.147 173 HA VAL 23 HA VAL 23 16.609 -0.628 -0.638 174 HB VAL 23 HB VAL 23 17.046 2.362 -0.600 175 HG11 VAL 23 HG11 VAL 23 15.480 0.475 1.097 176 HG12 VAL 23 HG12 VAL 23 15.180 2.175 0.737 177 HG13 VAL 23 HG13 VAL 23 16.403 1.728 1.926 178 HG21 VAL 23 HG21 VAL 23 19.020 1.911 0.393 179 HG22 VAL 23 HG22 VAL 23 18.778 0.209 -0.005 180 HG23 VAL 23 HG23 VAL 23 18.233 0.839 1.550 181 H GLN 24 H GLN 24 15.894 0.730 -3.561 182 HA GLN 24 HA GLN 24 13.223 1.644 -2.878 183 HB2 GLN 24 HB2 GLN 24 12.978 2.159 -5.236 184 HB3 GLN 24 HB3 GLN 24 14.545 2.754 -4.679 185 HG2 GLN 24 HG2 GLN 24 15.125 1.669 -6.661 186 HG3 GLN 24 HG3 GLN 24 15.410 0.407 -5.465 187 HE21 GLN 24 HE21 GLN 24 14.179 -1.497 -5.638 188 HE22 GLN 24 HE22 GLN 24 12.934 -1.722 -6.768 189 H TRP 25 H TRP 25 14.748 -1.307 -3.668 190 HA TRP 25 HA TRP 25 12.143 -2.524 -4.430 191 HB2 TRP 25 HB2 TRP 25 13.395 -3.535 -6.004 192 HB3 TRP 25 HB3 TRP 25 14.911 -3.036 -5.230 193 HD1 TRP 25 HD1 TRP 25 12.336 -5.813 -5.243 194 HE1 TRP 25 HE1 TRP 25 13.278 -7.824 -3.898 195 HE3 TRP 25 HE3 TRP 25 16.456 -3.648 -3.291 196 HZ2 TRP 25 HZ2 TRP 25 15.544 -8.380 -2.176 197 HZ3 TRP 25 HZ3 TRP 25 17.992 -4.873 -1.834 198 HH2 TRP 25 HH2 TRP 25 17.553 -7.252 -1.262 199 H LEU 26 H LEU 26 14.932 -2.676 -2.301 200 HA LEU 26 HA LEU 26 14.402 -4.981 -0.916 201 HB2 LEU 26 HB2 LEU 26 16.409 -3.506 -0.602 202 HB3 LEU 26 HB3 LEU 26 15.398 -2.416 0.336 203 HG LEU 26 HG LEU 26 14.823 -4.518 1.768 204 HD11 LEU 26 HD11 LEU 26 16.758 -6.135 1.846 205 HD12 LEU 26 HD12 LEU 26 17.340 -5.429 0.343 206 HD13 LEU 26 HD13 LEU 26 15.785 -6.263 0.382 207 HD21 LEU 26 HD21 LEU 26 17.607 -3.322 1.814 208 HD22 LEU 26 HD22 LEU 26 16.811 -4.125 3.168 209 HD23 LEU 26 HD23 LEU 26 16.171 -2.604 2.545 210 H MET 27 H MET 27 12.911 -1.807 -0.633 211 HA MET 27 HA MET 27 11.241 -2.719 1.605 212 HB2 MET 27 HB2 MET 27 10.625 -0.414 1.886 213 HB3 MET 27 HB3 MET 27 12.375 -0.471 1.659 214 HG2 MET 27 HG2 MET 27 11.991 1.111 0.068 215 HG3 MET 27 HG3 MET 27 11.515 -0.267 -0.930 216 HE1 MET 27 HE1 MET 27 10.036 1.133 -2.472 217 HE2 MET 27 HE2 MET 27 10.586 2.557 -1.595 218 HE3 MET 27 HE3 MET 27 8.869 2.343 -1.921 219 H ASN 28 H ASN 28 11.095 -3.215 -1.536 220 HA ASN 28 HA ASN 28 8.324 -2.373 -1.974 221 HB2 ASN 28 HB2 ASN 28 9.927 -2.063 -3.808 222 HB3 ASN 28 HB3 ASN 28 10.271 -3.792 -3.807 223 HD21 ASN 28 HD21 ASN 28 7.683 -1.409 -4.441 224 HD22 ASN 28 HD22 ASN 28 6.756 -2.443 -5.416 225 H THR 29 H THR 29 10.079 -5.072 -0.871 226 HA THR 29 HA THR 29 8.182 -7.082 -1.726 227 HB THR 29 HB THR 29 9.528 -8.571 -0.227 228 HG1 THR 29 HG1 THR 29 10.849 -6.111 0.225 229 HG21 THR 29 HG21 THR 29 11.230 -6.878 -2.073 230 HG22 THR 29 HG22 THR 29 10.100 -8.109 -2.640 231 HG23 THR 29 HG23 THR 29 11.482 -8.570 -1.644 232 HN1 NH2 30 HN1 NH2 30 6.125 -6.656 -0.791 233 HN2 NH2 30 HN2 NH2 30 5.864 -6.617 0.886 234 H GGL 101 H1 GGL 101 34.164 7.471 -11.518 235 HA GGL 101 HA GGL 101 31.887 7.140 -10.046 236 HB2 GGL 101 HB2 GGL 101 31.292 8.724 -12.555 237 HB3 GGL 101 HB3 GGL 101 30.989 9.222 -10.891 238 HG2 GGL 101 HG2 GGL 101 29.512 7.269 -12.593 239 HG3 GGL 101 HG3 GGL 101 29.645 6.897 -10.875 240 H GGL 102 H GGL 102 35.388 9.343 -9.668 241 HA GGL 102 HA GGL 102 36.517 11.782 -9.799 242 HB2 GGL 102 HB2 GGL 102 33.783 11.864 -10.876 243 HB3 GGL 102 HB3 GGL 102 35.327 12.070 -11.700 244 HG2 GGL 102 HG2 GGL 102 34.402 10.062 -12.585 245 HG3 GGL 102 HG3 GGL 102 35.639 9.543 -11.441 246 H21 PLM 103 H21 PLM 103 34.508 9.575 -6.004 247 H22 PLM 103 H22 PLM 103 33.561 9.612 -7.490 248 H31 PLM 103 H31 PLM 103 34.593 7.465 -8.182 249 H32 PLM 103 H32 PLM 103 35.493 7.423 -6.666 250 H41 PLM 103 H41 PLM 103 32.595 6.951 -7.167 251 H42 PLM 103 H42 PLM 103 33.016 7.791 -5.675 252 H51 PLM 103 H51 PLM 103 34.526 5.976 -5.041 253 H52 PLM 103 H52 PLM 103 32.930 5.311 -5.388 254 H61 PLM 103 H61 PLM 103 35.464 5.095 -6.972 255 H62 PLM 103 H62 PLM 103 33.927 5.085 -7.837 256 H71 PLM 103 H71 PLM 103 34.971 2.821 -6.950 257 H72 PLM 103 H72 PLM 103 34.243 3.327 -5.427 258 H81 PLM 103 H81 PLM 103 32.144 3.792 -7.005 259 H82 PLM 103 H82 PLM 103 32.452 2.187 -6.343 260 H91 PLM 103 H91 PLM 103 33.356 3.158 -9.075 261 H92 PLM 103 H92 PLM 103 33.644 1.556 -8.405 262 HA1 PLM 103 HA1 PLM 103 31.726 1.349 -9.828 263 HA2 PLM 103 HA2 PLM 103 31.131 1.303 -8.172 264 HB1 PLM 103 HB1 PLM 103 30.291 3.039 -10.220 265 HB2 PLM 103 HB2 PLM 103 31.243 4.044 -9.130 266 HC1 PLM 103 HC1 PLM 103 28.889 2.286 -8.393 267 HC2 PLM 103 HC2 PLM 103 29.915 3.098 -7.214 268 HD1 PLM 103 HD1 PLM 103 29.336 5.277 -8.165 269 HD2 PLM 103 HD2 PLM 103 28.380 4.498 -9.421 270 HE1 PLM 103 HE1 PLM 103 27.243 5.423 -7.184 271 HE2 PLM 103 HE2 PLM 103 27.752 3.857 -6.562 272 HF1 PLM 103 HF1 PLM 103 26.609 2.773 -8.528 273 HF2 PLM 103 HF2 PLM 103 25.509 3.605 -7.432 274 HG1 PLM 103 HG1 PLM 103 26.038 4.117 -10.247 275 HG2 PLM 103 HG2 PLM 103 24.734 4.729 -9.229 276 HG3 PLM 103 HG3 PLM 103 26.283 5.570 -9.279 Start of MODEL 3 1 H1 HIS 1 H1 HIS 1 35.548 6.903 -13.443 2 H2 HIS 1 H2 HIS 1 35.585 7.572 -11.882 3 H3 HIS 1 H3 HIS 1 34.937 6.022 -12.129 4 HA HIS 1 HA HIS 1 37.068 5.694 -11.206 5 HB2 HIS 1 HB2 HIS 1 38.275 4.998 -13.558 6 HB3 HIS 1 HB3 HIS 1 37.049 4.017 -12.749 7 HD2 HIS 1 HD2 HIS 1 34.273 5.001 -13.673 8 HE1 HIS 1 HE1 HIS 1 35.800 5.662 -17.554 9 HE2 HIS 1 HE2 HIS 1 33.677 5.404 -16.184 10 H AIB 2 H AIB 2 39.146 6.400 -10.865 11 HB11 AIB 2 HB11 AIB 2 40.049 10.232 -11.607 12 HB12 AIB 2 HB12 AIB 2 40.154 9.520 -9.997 13 HB13 AIB 2 HB13 AIB 2 38.650 9.416 -10.912 14 HB21 AIB 2 HB21 AIB 2 40.347 7.463 -13.646 15 HB22 AIB 2 HB22 AIB 2 41.637 8.544 -13.122 16 HB23 AIB 2 HB23 AIB 2 40.025 9.185 -13.438 17 H GLN 3 H GLN 3 40.306 6.171 -9.944 18 HA GLN 3 HA GLN 3 41.876 5.404 -8.424 19 HB2 GLN 3 HB2 GLN 3 43.436 5.584 -11.010 20 HB3 GLN 3 HB3 GLN 3 44.021 4.751 -9.569 21 HG2 GLN 3 HG2 GLN 3 42.315 3.129 -9.660 22 HG3 GLN 3 HG3 GLN 3 41.310 4.119 -10.723 23 HE21 GLN 3 HE21 GLN 3 41.206 2.448 -12.385 24 HE22 GLN 3 HE22 GLN 3 42.561 2.055 -13.328 25 H GLY 4 H GLY 4 42.099 7.102 -6.969 26 HA2 GLY 4 HA2 GLY 4 43.810 8.275 -5.754 27 HA3 GLY 4 HA3 GLY 4 44.572 8.678 -7.290 28 H THR 5 H THR 5 41.611 9.163 -8.192 29 HA THR 5 HA THR 5 41.232 11.792 -6.915 30 HB THR 5 HB THR 5 41.657 12.938 -8.796 31 HG1 THR 5 HG1 THR 5 39.696 12.557 -9.676 32 HG21 THR 5 HG21 THR 5 42.388 10.244 -9.978 33 HG22 THR 5 HG22 THR 5 43.451 11.229 -8.976 34 HG23 THR 5 HG23 THR 5 42.936 11.818 -10.557 35 H PHE 6 H PHE 6 39.967 8.862 -7.672 36 HA PHE 6 HA PHE 6 37.233 9.880 -8.105 37 HB2 PHE 6 HB2 PHE 6 36.909 8.083 -9.408 38 HB3 PHE 6 HB3 PHE 6 38.635 7.750 -9.259 39 HD1 PHE 6 HD1 PHE 6 35.274 6.951 -7.954 40 HD2 PHE 6 HD2 PHE 6 39.470 6.059 -7.728 41 HE1 PHE 6 HE1 PHE 6 34.768 4.898 -6.661 42 HE2 PHE 6 HE2 PHE 6 38.963 4.006 -6.433 43 HZ PHE 6 HZ PHE 6 36.613 3.425 -5.899 44 H THR 7 H THR 7 39.283 8.161 -5.868 45 HA THR 7 HA THR 7 37.277 7.030 -4.222 46 HB THR 7 HB THR 7 39.033 6.783 -2.564 47 HG1 THR 7 HG1 THR 7 41.065 7.796 -3.005 48 HG21 THR 7 HG21 THR 7 40.801 5.737 -4.015 49 HG22 THR 7 HG22 THR 7 39.989 6.435 -5.418 50 HG23 THR 7 HG23 THR 7 39.158 5.239 -4.422 51 H SER 8 H SER 8 39.057 10.106 -4.014 52 HA SER 8 HA SER 8 38.188 11.157 -1.664 53 HB2 SER 8 HB2 SER 8 38.252 12.660 -4.290 54 HB3 SER 8 HB3 SER 8 38.337 13.372 -2.681 55 HG SER 8 HG SER 8 40.331 12.545 -4.129 56 H ASP 9 H ASP 9 36.498 12.257 -4.578 57 HA ASP 9 HA ASP 9 34.190 13.158 -3.469 58 HB2 ASP 9 HB2 ASP 9 34.914 12.039 -6.095 59 HB3 ASP 9 HB3 ASP 9 33.189 11.975 -5.720 60 H TYR 10 H TYR 10 34.714 9.797 -4.554 61 HA TYR 10 HA TYR 10 32.327 8.628 -3.969 62 HB2 TYR 10 HB2 TYR 10 35.009 7.731 -4.285 63 HB3 TYR 10 HB3 TYR 10 34.348 6.926 -2.861 64 HD1 TYR 10 HD1 TYR 10 33.589 7.724 -6.435 65 HD2 TYR 10 HD2 TYR 10 32.829 5.136 -3.090 66 HE1 TYR 10 HE1 TYR 10 32.255 6.228 -7.894 67 HE2 TYR 10 HE2 TYR 10 31.490 3.643 -4.550 68 HH TYR 10 HH TYR 10 31.222 3.099 -6.865 69 H SER 11 H SER 11 31.143 9.386 -2.271 70 HA SER 11 HA SER 11 31.356 8.284 0.244 71 HB2 SER 11 HB2 SER 11 33.233 9.346 1.005 72 HB3 SER 11 HB3 SER 11 33.040 10.705 -0.100 73 HG SER 11 HG SER 11 32.609 11.013 2.266 74 H LYS 12 H LYS 12 30.606 11.283 -1.474 75 HA LYS 12 HA LYS 12 28.047 11.437 0.010 76 HB2 LYS 12 HB2 LYS 12 29.528 13.690 -1.364 77 HB3 LYS 12 HB3 LYS 12 28.069 13.829 -0.383 78 HG2 LYS 12 HG2 LYS 12 29.983 12.418 1.172 79 HG3 LYS 12 HG3 LYS 12 30.805 13.821 0.485 80 HD2 LYS 12 HD2 LYS 12 29.059 15.304 1.340 81 HD3 LYS 12 HD3 LYS 12 28.157 13.920 1.961 82 HE2 LYS 12 HE2 LYS 12 29.357 14.796 3.830 83 HE3 LYS 12 HE3 LYS 12 30.241 13.351 3.328 84 HZ1 LYS 12 HZ1 LYS 12 31.107 15.683 1.926 85 HZ2 LYS 12 HZ2 LYS 12 32.016 14.558 2.819 86 HZ3 LYS 12 HZ3 LYS 12 31.271 15.869 3.605 87 H LYS 13 H LYS 13 27.801 9.695 -1.893 88 HA LYS 13 HA LYS 13 25.966 10.843 -3.740 89 HB2 LYS 13 HB2 LYS 13 28.420 11.321 -4.641 90 HB3 LYS 13 HB3 LYS 13 28.292 9.652 -5.190 91 HG2 LYS 13 HG2 LYS 13 25.904 10.511 -6.042 92 HG3 LYS 13 HG3 LYS 13 26.753 12.056 -6.058 93 HD2 LYS 13 HD2 LYS 13 27.176 11.202 -8.206 94 HD3 LYS 13 HD3 LYS 13 28.629 10.768 -7.307 95 HE2 LYS 13 HE2 LYS 13 26.974 8.614 -6.820 96 HE3 LYS 13 HE3 LYS 13 26.566 9.035 -8.479 97 HZ1 LYS 13 HZ1 LYS 13 28.877 7.681 -7.711 98 H LEU 14 H LEU 14 28.277 8.118 -3.632 99 HA LEU 14 HA LEU 14 26.707 6.175 -4.782 100 HB2 LEU 14 HB2 LEU 14 28.053 5.013 -2.517 101 HB3 LEU 14 HB3 LEU 14 28.392 4.820 -4.232 102 HG LEU 14 HG LEU 14 30.351 5.708 -3.100 103 HD11 LEU 14 HD11 LEU 14 30.733 6.832 -4.999 104 HD12 LEU 14 HD12 LEU 14 29.914 8.225 -4.311 105 HD13 LEU 14 HD13 LEU 14 29.010 7.051 -5.266 106 HD21 LEU 14 HD21 LEU 14 30.124 7.070 -1.338 107 HD22 LEU 14 HD22 LEU 14 28.397 7.224 -1.659 108 HD23 LEU 14 HD23 LEU 14 29.537 8.343 -2.408 109 H ASP 15 H ASP 15 26.623 7.439 -1.504 110 HA ASP 15 HA ASP 15 24.666 5.546 -0.564 111 HB2 ASP 15 HB2 ASP 15 26.281 6.733 0.942 112 HB3 ASP 15 HB3 ASP 15 25.420 8.240 0.605 113 H AIB 16 H AIB 16 23.685 6.340 -2.864 114 HB11 AIB 16 HB11 AIB 16 20.554 6.152 -2.224 115 HB12 AIB 16 HB12 AIB 16 19.896 7.773 -2.456 116 HB13 AIB 16 HB13 AIB 16 20.920 7.429 -1.065 117 HB21 AIB 16 HB21 AIB 16 21.491 9.526 -3.718 118 HB22 AIB 16 HB22 AIB 16 23.155 9.381 -3.148 119 HB23 AIB 16 HB23 AIB 16 21.832 9.519 -1.989 120 H ARG 17 H ARG 17 23.707 6.429 -4.336 121 HA ARG 17 HA ARG 17 21.914 6.103 -6.669 122 HB2 ARG 17 HB2 ARG 17 24.871 6.665 -6.483 123 HB3 ARG 17 HB3 ARG 17 24.159 5.967 -7.937 124 HG2 ARG 17 HG2 ARG 17 23.195 8.541 -6.649 125 HG3 ARG 17 HG3 ARG 17 24.343 8.487 -7.983 126 HD2 ARG 17 HD2 ARG 17 22.256 6.861 -8.857 127 HD3 ARG 17 HD3 ARG 17 21.439 8.175 -8.021 128 HE ARG 17 HE ARG 17 23.509 9.054 -9.842 129 HH11 ARG 17 HH11 ARG 17 20.196 8.145 -9.424 130 HH12 ARG 17 HH12 ARG 17 19.634 9.040 -10.796 131 HH21 ARG 17 HH21 ARG 17 22.779 10.231 -11.642 132 HH22 ARG 17 HH22 ARG 17 21.095 10.222 -12.052 133 H ARG 18 H ARG 18 23.883 4.668 -4.286 134 HA ARG 18 HA ARG 18 23.665 2.024 -5.606 135 HB2 ARG 18 HB2 ARG 18 26.019 3.071 -5.037 136 HB3 ARG 18 HB3 ARG 18 25.606 2.597 -3.383 137 HG2 ARG 18 HG2 ARG 18 24.968 0.307 -4.554 138 HG3 ARG 18 HG3 ARG 18 26.093 0.877 -5.787 139 HD2 ARG 18 HD2 ARG 18 27.820 1.204 -4.043 140 HD3 ARG 18 HD3 ARG 18 26.699 0.589 -2.832 141 HE ARG 18 HE ARG 18 27.167 -1.209 -5.062 142 HH11 ARG 18 HH11 ARG 18 28.127 -0.133 -1.916 143 HH12 ARG 18 HH12 ARG 18 28.915 -1.619 -1.498 144 HH21 ARG 18 HH21 ARG 18 28.197 -3.160 -4.520 145 HH22 ARG 18 HH22 ARG 18 28.954 -3.331 -2.972 146 H ALA 19 H ALA 19 22.229 3.978 -3.617 147 HA ALA 19 HA ALA 19 21.520 1.933 -1.612 148 HB1 ALA 19 HB1 ALA 19 20.830 4.461 -0.624 149 HB2 ALA 19 HB2 ALA 19 22.428 4.665 -1.357 150 HB3 ALA 19 HB3 ALA 19 22.178 3.450 -0.096 151 H GLN 20 H GLN 20 20.419 4.637 -3.618 152 HA GLN 20 HA GLN 20 17.664 4.421 -2.921 153 HB2 GLN 20 HB2 GLN 20 18.736 6.428 -3.982 154 HB3 GLN 20 HB3 GLN 20 18.825 5.518 -5.491 155 HG2 GLN 20 HG2 GLN 20 16.384 5.224 -5.472 156 HG3 GLN 20 HG3 GLN 20 16.282 6.105 -3.947 157 HE21 GLN 20 HE21 GLN 20 16.253 8.392 -4.045 158 HE22 GLN 20 HE22 GLN 20 16.416 9.272 -5.487 159 H ASP 21 H ASP 21 19.111 3.732 -6.105 160 HA ASP 21 HA ASP 21 17.071 2.226 -7.166 161 HB2 ASP 21 HB2 ASP 21 19.711 2.824 -7.871 162 HB3 ASP 21 HB3 ASP 21 19.640 1.059 -7.847 163 H PHE 22 H PHE 22 19.430 1.312 -4.765 164 HA PHE 22 HA PHE 22 18.848 -1.515 -4.906 165 HB2 PHE 22 HB2 PHE 22 21.052 -0.383 -4.167 166 HB3 PHE 22 HB3 PHE 22 20.236 -0.144 -2.616 167 HD1 PHE 22 HD1 PHE 22 20.774 -2.799 -5.198 168 HD2 PHE 22 HD2 PHE 22 20.354 -1.857 -1.030 169 HE1 PHE 22 HE1 PHE 22 21.179 -5.162 -4.625 170 HE2 PHE 22 HE2 PHE 22 20.768 -4.229 -0.454 171 HZ PHE 22 HZ PHE 22 21.184 -5.891 -2.251 172 H VAL 23 H VAL 23 18.676 0.646 -2.072 173 HA VAL 23 HA VAL 23 16.872 -0.895 -0.631 174 HB VAL 23 HB VAL 23 17.213 2.108 -0.555 175 HG11 VAL 23 HG11 VAL 23 15.646 0.162 1.058 176 HG12 VAL 23 HG12 VAL 23 15.357 1.878 0.769 177 HG13 VAL 23 HG13 VAL 23 16.554 1.373 1.962 178 HG21 VAL 23 HG21 VAL 23 19.242 0.522 -0.201 179 HG22 VAL 23 HG22 VAL 23 18.440 0.072 1.304 180 HG23 VAL 23 HG23 VAL 23 18.927 1.745 1.030 181 H GLN 24 H GLN 24 16.257 0.523 -3.547 182 HA GLN 24 HA GLN 24 13.557 1.405 -3.044 183 HB2 GLN 24 HB2 GLN 24 14.540 2.611 -4.777 184 HB3 GLN 24 HB3 GLN 24 15.345 1.192 -5.446 185 HG2 GLN 24 HG2 GLN 24 12.340 1.317 -5.431 186 HG3 GLN 24 HG3 GLN 24 13.241 2.200 -6.657 187 HE21 GLN 24 HE21 GLN 24 14.969 -0.583 -5.662 188 HE22 GLN 24 HE22 GLN 24 14.516 -1.601 -6.944 189 H TRP 25 H TRP 25 15.167 -1.531 -4.058 190 HA TRP 25 HA TRP 25 12.563 -2.756 -4.739 191 HB2 TRP 25 HB2 TRP 25 13.819 -3.738 -6.315 192 HB3 TRP 25 HB3 TRP 25 15.327 -3.217 -5.541 193 HD1 TRP 25 HD1 TRP 25 12.828 -6.050 -5.622 194 HE1 TRP 25 HE1 TRP 25 13.801 -8.067 -4.305 195 HE3 TRP 25 HE3 TRP 25 16.869 -3.830 -3.567 196 HZ2 TRP 25 HZ2 TRP 25 16.055 -8.604 -2.564 197 HZ3 TRP 25 HZ3 TRP 25 18.414 -5.046 -2.110 198 HH2 TRP 25 HH2 TRP 25 18.023 -7.446 -1.593 199 H LEU 26 H LEU 26 15.360 -3.009 -2.611 200 HA LEU 26 HA LEU 26 14.834 -5.315 -1.272 201 HB2 LEU 26 HB2 LEU 26 16.766 -3.765 -0.841 202 HB3 LEU 26 HB3 LEU 26 15.673 -2.755 0.095 203 HG LEU 26 HG LEU 26 15.131 -4.925 1.427 204 HD11 LEU 26 HD11 LEU 26 16.200 -6.596 0.052 205 HD12 LEU 26 HD12 LEU 26 17.154 -6.452 1.528 206 HD13 LEU 26 HD13 LEU 26 17.717 -5.693 0.045 207 HD21 LEU 26 HD21 LEU 26 16.371 -2.990 2.324 208 HD22 LEU 26 HD22 LEU 26 17.863 -3.627 1.631 209 HD23 LEU 26 HD23 LEU 26 17.044 -4.507 2.921 210 H MET 27 H MET 27 13.256 -2.178 -0.927 211 HA MET 27 HA MET 27 11.511 -3.221 1.191 212 HB2 MET 27 HB2 MET 27 10.780 -0.941 1.486 213 HB3 MET 27 HB3 MET 27 12.543 -0.944 1.388 214 HG2 MET 27 HG2 MET 27 12.292 0.634 -0.216 215 HG3 MET 27 HG3 MET 27 11.784 -0.693 -1.265 216 HE1 MET 27 HE1 MET 27 10.830 2.594 0.431 217 HE2 MET 27 HE2 MET 27 10.536 1.404 1.696 218 HE3 MET 27 HE3 MET 27 9.186 2.310 1.017 219 H ASN 28 H ASN 28 9.295 -1.518 0.540 220 HA ASN 28 HA ASN 28 7.300 -1.613 -0.594 221 HB2 ASN 28 HB2 ASN 28 9.165 -1.064 -2.470 222 HB3 ASN 28 HB3 ASN 28 8.543 -2.589 -3.098 223 HD21 ASN 28 HD21 ASN 28 7.671 0.763 -2.349 224 HD22 ASN 28 HD22 ASN 28 6.181 0.736 -3.162 225 H THR 29 H THR 29 9.077 -4.224 0.160 226 HA THR 29 HA THR 29 7.533 -6.244 -1.255 227 HB THR 29 HB THR 29 8.881 -7.781 0.321 228 HG1 THR 29 HG1 THR 29 9.497 -5.374 1.274 229 HG21 THR 29 HG21 THR 29 11.060 -7.026 -1.026 230 HG22 THR 29 HG22 THR 29 9.874 -6.059 -1.904 231 HG23 THR 29 HG23 THR 29 9.703 -7.813 -1.831 232 HN1 NH2 30 HN1 NH2 30 8.221 -6.295 2.253 233 HN2 NH2 30 HN2 NH2 30 6.604 -6.507 2.722 234 H GGL 101 H1 GGL 101 32.573 13.546 -8.893 235 HA GGL 101 HA GGL 101 31.731 11.639 -7.821 236 HB2 GGL 101 HB2 GGL 101 31.364 10.488 -10.600 237 HB3 GGL 101 HB3 GGL 101 30.104 11.310 -9.681 238 HG2 GGL 101 HG2 GGL 101 31.350 8.627 -9.224 239 HG3 GGL 101 HG3 GGL 101 30.791 9.531 -7.818 240 H GGL 102 H GGL 102 30.022 14.884 -11.867 241 HA GGL 102 HA GGL 102 32.023 15.383 -9.764 242 HB2 GGL 102 HB2 GGL 102 32.175 15.176 -12.768 243 HB3 GGL 102 HB3 GGL 102 33.484 15.892 -11.829 244 HG2 GGL 102 HG2 GGL 102 33.467 13.295 -12.380 245 HG3 GGL 102 HG3 GGL 102 34.049 13.885 -10.825 246 H21 PLM 103 H21 PLM 103 27.727 14.526 -9.001 247 H22 PLM 103 H22 PLM 103 28.166 16.048 -9.775 248 H31 PLM 103 H31 PLM 103 26.426 14.862 -11.067 249 H32 PLM 103 H32 PLM 103 27.921 15.000 -11.992 250 H41 PLM 103 H41 PLM 103 27.595 12.573 -10.290 251 H42 PLM 103 H42 PLM 103 28.369 12.744 -11.866 252 H51 PLM 103 H51 PLM 103 25.457 12.401 -11.211 253 H52 PLM 103 H52 PLM 103 25.918 13.245 -12.689 254 H61 PLM 103 H61 PLM 103 27.302 10.668 -12.115 255 H62 PLM 103 H62 PLM 103 26.797 11.353 -13.660 256 H71 PLM 103 H71 PLM 103 25.037 10.024 -11.582 257 H72 PLM 103 H72 PLM 103 24.404 10.908 -12.970 258 H81 PLM 103 H81 PLM 103 26.441 9.048 -13.838 259 H82 PLM 103 H82 PLM 103 24.748 9.141 -14.317 260 H91 PLM 103 H91 PLM 103 24.131 7.913 -12.225 261 H92 PLM 103 H92 PLM 103 25.143 6.964 -13.311 262 HA1 PLM 103 HA1 PLM 103 27.046 8.207 -11.779 263 HA2 PLM 103 HA2 PLM 103 25.739 8.020 -10.612 264 HB1 PLM 103 HB1 PLM 103 26.908 5.798 -12.317 265 HB2 PLM 103 HB2 PLM 103 25.602 5.614 -11.146 266 HC1 PLM 103 HC1 PLM 103 28.117 5.104 -10.464 267 HC2 PLM 103 HC2 PLM 103 28.177 6.850 -10.240 268 HD1 PLM 103 HD1 PLM 103 26.230 6.728 -8.729 269 HD2 PLM 103 HD2 PLM 103 26.157 4.984 -8.959 270 HE1 PLM 103 HE1 PLM 103 27.593 6.293 -6.974 271 HE2 PLM 103 HE2 PLM 103 28.826 5.931 -8.180 272 HF1 PLM 103 HF1 PLM 103 28.533 4.109 -6.491 273 HF2 PLM 103 HF2 PLM 103 26.879 3.891 -7.059 274 HG1 PLM 103 HG1 PLM 103 27.612 3.181 -9.218 275 HG2 PLM 103 HG2 PLM 103 29.255 3.752 -8.927 276 HG3 PLM 103 HG3 PLM 103 28.650 2.333 -8.072 Start of MODEL 4 1 H1 HIS 1 H1 HIS 1 39.986 22.081 -12.084 2 H2 HIS 1 H2 HIS 1 41.567 22.642 -11.825 3 H3 HIS 1 H3 HIS 1 40.350 22.961 -10.681 4 HA HIS 1 HA HIS 1 41.282 20.235 -11.382 5 HB2 HIS 1 HB2 HIS 1 42.560 22.266 -9.809 6 HB3 HIS 1 HB3 HIS 1 41.996 20.985 -8.729 7 HD2 HIS 1 HD2 HIS 1 44.310 21.270 -11.951 8 HE1 HIS 1 HE1 HIS 1 45.245 17.704 -9.895 9 HE2 HIS 1 HE2 HIS 1 45.889 19.195 -11.847 10 H AIB 2 H AIB 2 40.025 18.682 -10.509 11 HB11 AIB 2 HB11 AIB 2 37.874 19.618 -7.277 12 HB12 AIB 2 HB12 AIB 2 39.602 19.348 -7.513 13 HB13 AIB 2 HB13 AIB 2 38.537 17.986 -7.163 14 HB21 AIB 2 HB21 AIB 2 37.878 17.084 -10.451 15 HB22 AIB 2 HB22 AIB 2 37.561 16.796 -8.741 16 HB23 AIB 2 HB23 AIB 2 39.217 16.763 -9.348 17 H GLN 3 H GLN 3 36.223 17.681 -10.001 18 HA GLN 3 HA GLN 3 34.987 20.052 -11.029 19 HB2 GLN 3 HB2 GLN 3 34.646 17.424 -11.553 20 HB3 GLN 3 HB3 GLN 3 33.291 17.694 -10.461 21 HG2 GLN 3 HG2 GLN 3 33.902 19.175 -13.029 22 HG3 GLN 3 HG3 GLN 3 32.505 18.150 -12.689 23 HE21 GLN 3 HE21 GLN 3 33.533 21.376 -12.742 24 HE22 GLN 3 HE22 GLN 3 32.314 22.039 -11.762 25 H GLY 4 H GLY 4 35.727 20.564 -8.458 26 HA2 GLY 4 HA2 GLY 4 34.682 21.850 -6.784 27 HA3 GLY 4 HA3 GLY 4 33.140 21.100 -7.199 28 H THR 5 H THR 5 36.330 19.753 -6.347 29 HA THR 5 HA THR 5 36.914 18.097 -4.856 30 HB THR 5 HB THR 5 36.466 18.622 -2.668 31 HG1 THR 5 HG1 THR 5 34.233 19.515 -2.210 32 HG21 THR 5 HG21 THR 5 36.784 20.764 -4.155 33 HG22 THR 5 HG22 THR 5 36.327 20.937 -2.459 34 HG23 THR 5 HG23 THR 5 35.102 21.075 -3.720 35 H PHE 6 H PHE 6 34.451 17.947 -6.701 36 HA PHE 6 HA PHE 6 32.464 16.341 -5.701 37 HB2 PHE 6 HB2 PHE 6 31.813 16.251 -7.860 38 HB3 PHE 6 HB3 PHE 6 33.213 17.274 -8.190 39 HD1 PHE 6 HD1 PHE 6 31.985 13.772 -8.115 40 HD2 PHE 6 HD2 PHE 6 35.168 16.411 -9.278 41 HE1 PHE 6 HE1 PHE 6 33.003 11.952 -9.455 42 HE2 PHE 6 HE2 PHE 6 36.186 14.591 -10.621 43 HZ PHE 6 HZ PHE 6 35.104 12.360 -10.709 44 H THR 7 H THR 7 35.749 15.620 -5.851 45 HA THR 7 HA THR 7 35.479 12.752 -6.183 46 HB THR 7 HB THR 7 37.928 12.778 -5.558 47 HG1 THR 7 HG1 THR 7 38.876 14.839 -5.472 48 HG21 THR 7 HG21 THR 7 36.605 13.907 -7.890 49 HG22 THR 7 HG22 THR 7 38.012 12.847 -7.808 50 HG23 THR 7 HG23 THR 7 38.214 14.593 -7.663 51 H SER 8 H SER 8 36.490 14.912 -3.524 52 HA SER 8 HA SER 8 36.445 12.814 -1.572 53 HB2 SER 8 HB2 SER 8 36.182 15.512 -0.504 54 HB3 SER 8 HB3 SER 8 37.471 14.336 -0.275 55 HG SER 8 HG SER 8 38.542 15.643 -1.534 56 H ASP 9 H ASP 9 34.040 14.696 -3.052 57 HA ASP 9 HA ASP 9 32.176 14.350 -0.796 58 HB2 ASP 9 HB2 ASP 9 32.563 16.557 -2.250 59 HB3 ASP 9 HB3 ASP 9 31.371 15.769 -3.288 60 H TYR 10 H TYR 10 33.154 12.223 -2.704 61 HA TYR 10 HA TYR 10 30.753 11.547 -4.214 62 HB2 TYR 10 HB2 TYR 10 33.369 11.102 -4.733 63 HB3 TYR 10 HB3 TYR 10 32.946 9.575 -3.957 64 HD1 TYR 10 HD1 TYR 10 31.993 11.908 -6.695 65 HD2 TYR 10 HD2 TYR 10 31.608 7.952 -5.072 66 HE1 TYR 10 HE1 TYR 10 30.868 11.167 -8.776 67 HE2 TYR 10 HE2 TYR 10 30.481 7.207 -7.153 68 HH TYR 10 HH TYR 10 30.013 9.446 -9.888 69 H SER 11 H SER 11 32.096 10.957 -1.127 70 HA SER 11 HA SER 11 31.219 8.388 -0.511 71 HB2 SER 11 HB2 SER 11 31.295 9.065 1.803 72 HB3 SER 11 HB3 SER 11 32.613 9.868 0.957 73 HG SER 11 HG SER 11 30.927 11.611 0.673 74 H LYS 12 H LYS 12 29.364 10.990 -1.497 75 HA LYS 12 HA LYS 12 26.967 10.116 -0.035 76 HB2 LYS 12 HB2 LYS 12 27.508 12.534 -1.771 77 HB3 LYS 12 HB3 LYS 12 25.939 12.161 -1.057 78 HG2 LYS 12 HG2 LYS 12 28.069 12.001 0.919 79 HG3 LYS 12 HG3 LYS 12 28.010 13.592 0.161 80 HD2 LYS 12 HD2 LYS 12 25.593 13.737 0.652 81 HD3 LYS 12 HD3 LYS 12 25.658 12.150 1.422 82 HE2 LYS 12 HE2 LYS 12 25.891 13.560 3.265 83 HE3 LYS 12 HE3 LYS 12 27.579 13.243 2.854 84 HZ1 LYS 12 HZ1 LYS 12 27.501 15.295 1.477 85 HZ2 LYS 12 HZ2 LYS 12 27.323 15.571 3.143 86 HZ3 LYS 12 HZ3 LYS 12 25.967 15.623 2.120 87 H LYS 13 H LYS 13 28.293 10.435 -3.293 88 HA LYS 13 HA LYS 13 26.144 9.941 -4.903 89 HB2 LYS 13 HB2 LYS 13 28.539 10.236 -5.631 90 HB3 LYS 13 HB3 LYS 13 28.806 8.543 -5.228 91 HG2 LYS 13 HG2 LYS 13 28.155 8.117 -7.355 92 HG3 LYS 13 HG3 LYS 13 26.521 8.421 -6.768 93 HD2 LYS 13 HD2 LYS 13 26.746 10.805 -7.362 94 HD3 LYS 13 HD3 LYS 13 28.380 10.502 -7.954 95 HE2 LYS 13 HE2 LYS 13 26.856 8.576 -9.249 96 HE3 LYS 13 HE3 LYS 13 25.814 9.995 -9.255 97 HZ1 LYS 13 HZ1 LYS 13 28.483 10.662 -10.040 98 H LEU 14 H LEU 14 28.266 7.186 -4.203 99 HA LEU 14 HA LEU 14 26.547 5.157 -4.750 100 HB2 LEU 14 HB2 LEU 14 28.004 4.619 -2.257 101 HB3 LEU 14 HB3 LEU 14 28.064 3.780 -3.803 102 HG LEU 14 HG LEU 14 29.459 6.417 -3.226 103 HD11 LEU 14 HD11 LEU 14 30.155 3.702 -2.565 104 HD12 LEU 14 HD12 LEU 14 31.054 5.185 -2.243 105 HD13 LEU 14 HD13 LEU 14 31.284 4.328 -3.767 106 HD21 LEU 14 HD21 LEU 14 30.688 5.702 -5.364 107 HD22 LEU 14 HD22 LEU 14 29.023 6.235 -5.586 108 HD23 LEU 14 HD23 LEU 14 29.405 4.516 -5.586 109 H ASP 15 H ASP 15 26.795 6.872 -1.648 110 HA ASP 15 HA ASP 15 24.650 5.397 -0.440 111 HB2 ASP 15 HB2 ASP 15 26.531 6.595 0.790 112 HB3 ASP 15 HB3 ASP 15 25.687 8.102 0.421 113 H AIB 16 H AIB 16 23.778 6.211 -2.878 114 HB11 AIB 16 HB11 AIB 16 21.072 7.730 -1.132 115 HB12 AIB 16 HB12 AIB 16 20.738 6.288 -2.091 116 HB13 AIB 16 HB13 AIB 16 20.091 7.851 -2.591 117 HB21 AIB 16 HB21 AIB 16 21.780 9.578 -3.706 118 HB22 AIB 16 HB22 AIB 16 23.480 9.283 -3.339 119 HB23 AIB 16 HB23 AIB 16 22.325 9.536 -2.030 120 H ARG 17 H ARG 17 23.892 6.537 -4.475 121 HA ARG 17 HA ARG 17 22.013 6.205 -6.734 122 HB2 ARG 17 HB2 ARG 17 24.329 7.592 -6.784 123 HB3 ARG 17 HB3 ARG 17 24.933 5.983 -7.184 124 HG2 ARG 17 HG2 ARG 17 24.375 6.860 -9.292 125 HG3 ARG 17 HG3 ARG 17 22.950 5.912 -8.874 126 HD2 ARG 17 HD2 ARG 17 21.826 7.832 -9.352 127 HD3 ARG 17 HD3 ARG 17 22.317 8.305 -7.728 128 HE ARG 17 HE ARG 17 23.891 9.766 -8.668 129 HH11 ARG 17 HH11 ARG 17 22.434 7.707 -11.042 130 HH12 ARG 17 HH12 ARG 17 23.046 8.604 -12.392 131 HH21 ARG 17 HH21 ARG 17 24.696 10.942 -10.436 132 HH22 ARG 17 HH22 ARG 17 24.325 10.433 -12.049 133 H ARG 18 H ARG 18 23.783 4.675 -4.325 134 HA ARG 18 HA ARG 18 23.545 2.057 -5.686 135 HB2 ARG 18 HB2 ARG 18 25.931 2.935 -5.185 136 HB3 ARG 18 HB3 ARG 18 25.525 2.665 -3.485 137 HG2 ARG 18 HG2 ARG 18 24.692 0.316 -4.620 138 HG3 ARG 18 HG3 ARG 18 26.086 0.709 -5.625 139 HD2 ARG 18 HD2 ARG 18 26.075 0.568 -2.597 140 HD3 ARG 18 HD3 ARG 18 26.765 -0.640 -3.678 141 HE ARG 18 HE ARG 18 27.908 1.951 -3.016 142 HH11 ARG 18 HH11 ARG 18 27.810 -0.759 -5.164 143 HH12 ARG 18 HH12 ARG 18 29.408 -0.507 -5.778 144 HH21 ARG 18 HH21 ARG 18 30.007 2.289 -3.818 145 HH22 ARG 18 HH22 ARG 18 30.652 1.220 -5.017 146 H ALA 19 H ALA 19 22.231 4.070 -3.619 147 HA ALA 19 HA ALA 19 21.440 2.014 -1.655 148 HB1 ALA 19 HB1 ALA 19 20.813 4.498 -0.588 149 HB2 ALA 19 HB2 ALA 19 22.371 4.756 -1.388 150 HB3 ALA 19 HB3 ALA 19 22.204 3.501 -0.154 151 H GLN 20 H GLN 20 20.429 4.638 -3.775 152 HA GLN 20 HA GLN 20 17.652 4.501 -3.027 153 HB2 GLN 20 HB2 GLN 20 18.776 6.528 -4.014 154 HB3 GLN 20 HB3 GLN 20 18.830 5.671 -5.555 155 HG2 GLN 20 HG2 GLN 20 16.352 5.385 -5.431 156 HG3 GLN 20 HG3 GLN 20 16.345 6.362 -3.963 157 HE21 GLN 20 HE21 GLN 20 14.904 7.263 -6.221 158 HE22 GLN 20 HE22 GLN 20 15.685 8.624 -6.869 159 H ASP 21 H ASP 21 19.261 3.770 -6.133 160 HA ASP 21 HA ASP 21 17.157 2.364 -7.291 161 HB2 ASP 21 HB2 ASP 21 19.704 3.053 -8.051 162 HB3 ASP 21 HB3 ASP 21 19.819 1.294 -7.927 163 H PHE 22 H PHE 22 18.895 1.557 -4.555 164 HA PHE 22 HA PHE 22 18.491 -1.338 -4.894 165 HB2 PHE 22 HB2 PHE 22 20.747 -0.293 -4.208 166 HB3 PHE 22 HB3 PHE 22 19.980 -0.020 -2.639 167 HD1 PHE 22 HD1 PHE 22 20.346 -2.704 -5.219 168 HD2 PHE 22 HD2 PHE 22 20.099 -1.723 -1.048 169 HE1 PHE 22 HE1 PHE 22 20.689 -5.073 -4.645 170 HE2 PHE 22 HE2 PHE 22 20.450 -4.102 -0.469 171 HZ PHE 22 HZ PHE 22 20.750 -5.789 -2.265 172 H VAL 23 H VAL 23 18.439 0.860 -2.088 173 HA VAL 23 HA VAL 23 16.685 -0.646 -0.542 174 HB VAL 23 HB VAL 23 17.107 2.346 -0.527 175 HG11 VAL 23 HG11 VAL 23 16.490 1.740 2.007 176 HG12 VAL 23 HG12 VAL 23 15.576 0.461 1.208 177 HG13 VAL 23 HG13 VAL 23 15.247 2.150 0.823 178 HG21 VAL 23 HG21 VAL 23 19.042 0.566 -0.175 179 HG22 VAL 23 HG22 VAL 23 18.305 0.406 1.419 180 HG23 VAL 23 HG23 VAL 23 18.916 1.970 0.884 181 H GLN 24 H GLN 24 15.909 0.698 -3.459 182 HA GLN 24 HA GLN 24 13.243 1.594 -2.732 183 HB2 GLN 24 HB2 GLN 24 12.953 2.093 -5.088 184 HB3 GLN 24 HB3 GLN 24 14.524 2.704 -4.561 185 HG2 GLN 24 HG2 GLN 24 15.082 1.612 -6.545 186 HG3 GLN 24 HG3 GLN 24 15.393 0.357 -5.348 187 HE21 GLN 24 HE21 GLN 24 14.168 -1.554 -5.494 188 HE22 GLN 24 HE22 GLN 24 12.909 -1.792 -6.605 189 H TRP 25 H TRP 25 14.776 -1.351 -3.536 190 HA TRP 25 HA TRP 25 12.170 -2.588 -4.249 191 HB2 TRP 25 HB2 TRP 25 13.403 -3.598 -5.835 192 HB3 TRP 25 HB3 TRP 25 14.927 -3.085 -5.088 193 HD1 TRP 25 HD1 TRP 25 12.370 -5.878 -5.045 194 HE1 TRP 25 HE1 TRP 25 13.348 -7.877 -3.704 195 HE3 TRP 25 HE3 TRP 25 16.509 -3.676 -3.175 196 HZ2 TRP 25 HZ2 TRP 25 15.648 -8.407 -2.018 197 HZ3 TRP 25 HZ3 TRP 25 18.078 -4.884 -1.736 198 HH2 TRP 25 HH2 TRP 25 17.664 -7.263 -1.143 199 H LEU 26 H LEU 26 15.005 -2.732 -2.177 200 HA LEU 26 HA LEU 26 14.513 -5.021 -0.762 201 HB2 LEU 26 HB2 LEU 26 16.507 -3.521 -0.488 202 HB3 LEU 26 HB3 LEU 26 15.496 -2.437 0.457 203 HG LEU 26 HG LEU 26 14.965 -4.536 1.912 204 HD11 LEU 26 HD11 LEU 26 17.470 -5.427 0.456 205 HD12 LEU 26 HD12 LEU 26 15.926 -6.280 0.527 206 HD13 LEU 26 HD13 LEU 26 16.922 -6.127 1.973 207 HD21 LEU 26 HD21 LEU 26 16.302 -2.600 2.656 208 HD22 LEU 26 HD22 LEU 26 17.736 -3.307 1.912 209 HD23 LEU 26 HD23 LEU 26 16.967 -4.109 3.281 210 H MET 27 H MET 27 13.014 -1.849 -0.456 211 HA MET 27 HA MET 27 11.384 -2.757 1.810 212 HB2 MET 27 HB2 MET 27 10.725 -0.452 2.045 213 HB3 MET 27 HB3 MET 27 12.476 -0.494 1.819 214 HG2 MET 27 HG2 MET 27 12.043 1.076 0.220 215 HG3 MET 27 HG3 MET 27 11.659 -0.338 -0.769 216 HE1 MET 27 HE1 MET 27 8.949 2.908 0.822 217 HE2 MET 27 HE2 MET 27 10.613 2.980 0.251 218 HE3 MET 27 HE3 MET 27 10.254 2.222 1.801 219 H ASN 28 H ASN 28 11.224 -3.100 -1.420 220 HA ASN 28 HA ASN 28 8.338 -2.555 -1.626 221 HB2 ASN 28 HB2 ASN 28 10.123 -1.828 -3.390 222 HB3 ASN 28 HB3 ASN 28 10.042 -3.514 -3.903 223 HD21 ASN 28 HD21 ASN 28 7.043 -3.243 -2.803 224 HD22 ASN 28 HD22 ASN 28 6.244 -2.602 -4.155 225 H THR 29 H THR 29 9.032 -4.674 0.036 226 HA THR 29 HA THR 29 8.557 -7.095 -1.569 227 HB THR 29 HB THR 29 9.180 -8.329 0.455 228 HG1 THR 29 HG1 THR 29 9.217 -5.720 1.532 229 HG21 THR 29 HG21 THR 29 11.429 -6.595 0.651 230 HG22 THR 29 HG22 THR 29 10.863 -6.542 -1.019 231 HG23 THR 29 HG23 THR 29 11.287 -8.086 -0.279 232 HN1 NH2 30 HN1 NH2 30 7.497 -8.058 1.309 233 HN2 NH2 30 HN2 NH2 30 5.848 -7.669 1.200 234 H GGL 101 H1 GGL 101 31.103 7.378 -12.756 235 HA GGL 101 HA GGL 101 28.897 6.675 -11.437 236 HB2 GGL 101 HB2 GGL 101 29.016 8.865 -13.523 237 HB3 GGL 101 HB3 GGL 101 29.437 9.013 -11.817 238 HG2 GGL 101 HG2 GGL 101 26.752 8.820 -13.107 239 HG3 GGL 101 HG3 GGL 101 26.950 8.046 -11.536 240 H GGL 102 H GGL 102 32.657 6.247 -13.455 241 HA GGL 102 HA GGL 102 33.038 7.923 -15.538 242 HB2 GGL 102 HB2 GGL 102 30.176 7.375 -15.169 243 HB3 GGL 102 HB3 GGL 102 31.255 6.903 -16.480 244 HG2 GGL 102 HG2 GGL 102 30.617 4.866 -15.426 245 HG3 GGL 102 HG3 GGL 102 32.251 5.197 -14.855 246 H21 PLM 103 H21 PLM 103 33.677 8.491 -10.682 247 H22 PLM 103 H22 PLM 103 32.017 8.313 -11.246 248 H31 PLM 103 H31 PLM 103 32.247 5.891 -11.305 249 H32 PLM 103 H32 PLM 103 33.959 6.009 -10.900 250 H41 PLM 103 H41 PLM 103 31.755 5.864 -9.109 251 H42 PLM 103 H42 PLM 103 32.435 7.484 -8.960 252 H51 PLM 103 H51 PLM 103 34.710 6.434 -8.724 253 H52 PLM 103 H52 PLM 103 33.604 6.031 -7.410 254 H61 PLM 103 H61 PLM 103 35.002 4.218 -9.038 255 H62 PLM 103 H62 PLM 103 33.334 4.149 -9.607 256 H71 PLM 103 H71 PLM 103 34.219 3.867 -6.719 257 H72 PLM 103 H72 PLM 103 32.555 3.784 -7.297 258 H81 PLM 103 H81 PLM 103 34.609 1.720 -7.301 259 H82 PLM 103 H82 PLM 103 33.948 1.974 -8.915 260 H91 PLM 103 H91 PLM 103 32.697 0.280 -7.492 261 H92 PLM 103 H92 PLM 103 32.217 1.622 -6.455 262 HA1 PLM 103 HA1 PLM 103 31.671 2.507 -9.059 263 HA2 PLM 103 HA2 PLM 103 31.150 0.823 -9.044 264 HB1 PLM 103 HB1 PLM 103 30.268 3.046 -7.189 265 HB2 PLM 103 HB2 PLM 103 29.933 1.347 -6.866 266 HC1 PLM 103 HC1 PLM 103 29.144 2.778 -9.420 267 HC2 PLM 103 HC2 PLM 103 28.699 1.141 -8.947 268 HD1 PLM 103 HD1 PLM 103 26.794 2.325 -8.310 269 HD2 PLM 103 HD2 PLM 103 27.717 2.308 -6.812 270 HE1 PLM 103 HE1 PLM 103 28.705 4.569 -8.039 271 HE2 PLM 103 HE2 PLM 103 27.427 4.559 -6.828 272 HF1 PLM 103 HF1 PLM 103 25.739 4.351 -8.664 273 HF2 PLM 103 HF2 PLM 103 26.675 5.839 -8.755 274 HG1 PLM 103 HG1 PLM 103 26.562 4.904 -10.980 275 HG2 PLM 103 HG2 PLM 103 28.209 4.690 -10.390 276 HG3 PLM 103 HG3 PLM 103 27.089 3.326 -10.398 Start of MODEL 5 1 H1 HIS 1 H1 HIS 1 43.042 13.066 -3.769 2 H2 HIS 1 H2 HIS 1 41.777 13.924 -4.510 3 H3 HIS 1 H3 HIS 1 42.735 14.673 -3.324 4 HA HIS 1 HA HIS 1 43.778 15.542 -5.104 5 HB2 HIS 1 HB2 HIS 1 44.908 12.759 -4.762 6 HB3 HIS 1 HB3 HIS 1 45.638 13.938 -5.858 7 HD2 HIS 1 HD2 HIS 1 45.128 13.426 -1.982 8 HE1 HIS 1 HE1 HIS 1 47.751 16.684 -2.560 9 HE2 HIS 1 HE2 HIS 1 46.716 15.147 -0.824 10 H AIB 2 H AIB 2 42.211 12.487 -5.778 11 HB11 AIB 2 HB11 AIB 2 40.126 11.873 -6.679 12 HB12 AIB 2 HB12 AIB 2 41.051 10.576 -7.434 13 HB13 AIB 2 HB13 AIB 2 39.962 11.567 -8.408 14 HB21 AIB 2 HB21 AIB 2 42.381 11.348 -9.530 15 HB22 AIB 2 HB22 AIB 2 43.357 11.102 -8.081 16 HB23 AIB 2 HB23 AIB 2 43.569 12.560 -9.050 17 H GLN 3 H GLN 3 40.067 14.250 -7.099 18 HA GLN 3 HA GLN 3 39.061 16.118 -7.978 19 HB2 GLN 3 HB2 GLN 3 41.563 16.685 -8.335 20 HB3 GLN 3 HB3 GLN 3 41.265 16.271 -10.024 21 HG2 GLN 3 HG2 GLN 3 39.443 17.922 -10.121 22 HG3 GLN 3 HG3 GLN 3 39.714 18.329 -8.424 23 HE21 GLN 3 HE21 GLN 3 41.830 19.367 -7.883 24 HE22 GLN 3 HE22 GLN 3 42.675 20.218 -9.085 25 H GLY 4 H GLY 4 40.611 14.745 -10.889 26 HA2 GLY 4 HA2 GLY 4 38.424 15.066 -12.594 27 HA3 GLY 4 HA3 GLY 4 39.692 13.860 -12.814 28 H THR 5 H THR 5 39.045 12.782 -10.090 29 HA THR 5 HA THR 5 36.498 11.422 -10.680 30 HB THR 5 HB THR 5 37.444 9.381 -10.692 31 HG1 THR 5 HG1 THR 5 38.617 10.385 -8.382 32 HG21 THR 5 HG21 THR 5 40.060 10.911 -10.652 33 HG22 THR 5 HG22 THR 5 39.061 10.660 -12.082 34 HG23 THR 5 HG23 THR 5 39.812 9.282 -11.279 35 H PHE 6 H PHE 6 38.553 13.037 -8.519 36 HA PHE 6 HA PHE 6 38.369 13.668 -6.329 37 HB2 PHE 6 HB2 PHE 6 35.689 13.540 -7.390 38 HB3 PHE 6 HB3 PHE 6 35.688 13.117 -5.679 39 HD1 PHE 6 HD1 PHE 6 37.547 14.676 -4.318 40 HD2 PHE 6 HD2 PHE 6 35.303 15.801 -7.807 41 HE1 PHE 6 HE1 PHE 6 37.821 17.069 -3.725 42 HE2 PHE 6 HE2 PHE 6 35.579 18.191 -7.212 43 HZ PHE 6 HZ PHE 6 36.837 18.825 -5.172 44 H THR 7 H THR 7 38.990 12.688 -4.522 45 HA THR 7 HA THR 7 38.504 9.815 -4.256 46 HB THR 7 HB THR 7 40.702 9.987 -3.770 47 HG1 THR 7 HG1 THR 7 40.216 11.248 -1.359 48 HG21 THR 7 HG21 THR 7 40.096 12.869 -3.096 49 HG22 THR 7 HG22 THR 7 40.934 12.249 -4.517 50 HG23 THR 7 HG23 THR 7 41.703 12.164 -2.933 51 H SER 8 H SER 8 38.952 12.167 -1.658 52 HA SER 8 HA SER 8 37.354 11.004 0.230 53 HB2 SER 8 HB2 SER 8 38.718 13.402 0.018 54 HB3 SER 8 HB3 SER 8 37.047 13.907 0.249 55 HG SER 8 HG SER 8 38.191 13.530 2.228 56 H ASP 9 H ASP 9 36.271 13.701 -1.847 57 HA ASP 9 HA ASP 9 33.644 13.872 -1.201 58 HB2 ASP 9 HB2 ASP 9 35.165 14.259 -3.707 59 HB3 ASP 9 HB3 ASP 9 33.418 14.078 -3.894 60 H TYR 10 H TYR 10 35.110 11.396 -3.265 61 HA TYR 10 HA TYR 10 32.724 10.143 -4.094 62 HB2 TYR 10 HB2 TYR 10 35.413 9.784 -4.591 63 HB3 TYR 10 HB3 TYR 10 34.991 8.331 -3.684 64 HD1 TYR 10 HD1 TYR 10 32.251 7.779 -4.424 65 HD2 TYR 10 HD2 TYR 10 35.472 9.224 -6.867 66 HE1 TYR 10 HE1 TYR 10 31.145 6.837 -6.437 67 HE2 TYR 10 HE2 TYR 10 34.371 8.283 -8.877 68 HH TYR 10 HH TYR 10 31.581 7.680 -9.332 69 H SER 11 H SER 11 31.226 9.617 -2.587 70 HA SER 11 HA SER 11 31.287 7.324 -1.115 71 HB2 SER 11 HB2 SER 11 31.578 8.577 1.247 72 HB3 SER 11 HB3 SER 11 32.912 7.785 0.414 73 HG SER 11 HG SER 11 32.196 10.530 0.397 74 H LYS 12 H LYS 12 30.382 10.743 -0.830 75 HA LYS 12 HA LYS 12 27.893 10.135 0.509 76 HB2 LYS 12 HB2 LYS 12 29.005 12.685 -0.682 77 HB3 LYS 12 HB3 LYS 12 27.457 12.586 0.157 78 HG2 LYS 12 HG2 LYS 12 28.657 11.655 2.151 79 HG3 LYS 12 HG3 LYS 12 30.183 11.939 1.314 80 HD2 LYS 12 HD2 LYS 12 29.523 14.362 1.092 81 HD3 LYS 12 HD3 LYS 12 28.136 14.019 2.126 82 HE2 LYS 12 HE2 LYS 12 29.540 14.529 3.836 83 HE3 LYS 12 HE3 LYS 12 30.190 12.910 3.571 84 HZ1 LYS 12 HZ1 LYS 12 31.570 14.188 1.759 85 HZ2 LYS 12 HZ2 LYS 12 32.080 14.130 3.380 86 HZ3 LYS 12 HZ3 LYS 12 31.283 15.508 2.785 87 H LYS 13 H LYS 13 28.753 9.368 -2.441 88 HA LYS 13 HA LYS 13 26.265 10.275 -3.753 89 HB2 LYS 13 HB2 LYS 13 28.827 10.450 -4.677 90 HB3 LYS 13 HB3 LYS 13 28.332 8.909 -5.369 91 HG2 LYS 13 HG2 LYS 13 26.751 11.492 -5.635 92 HG3 LYS 13 HG3 LYS 13 27.850 10.868 -6.859 93 HD2 LYS 13 HD2 LYS 13 26.246 8.676 -6.325 94 HD3 LYS 13 HD3 LYS 13 25.118 10.027 -6.213 95 HE2 LYS 13 HE2 LYS 13 25.214 9.250 -8.525 96 HE3 LYS 13 HE3 LYS 13 25.936 10.851 -8.414 97 HZ1 LYS 13 HZ1 LYS 13 27.494 8.336 -8.599 98 H LEU 14 H LEU 14 28.328 7.417 -3.255 99 HA LEU 14 HA LEU 14 26.651 5.538 -4.489 100 HB2 LEU 14 HB2 LEU 14 27.830 4.297 -2.217 101 HB3 LEU 14 HB3 LEU 14 28.337 4.190 -3.902 102 HG LEU 14 HG LEU 14 29.145 6.429 -2.025 103 HD11 LEU 14 HD11 LEU 14 30.667 5.001 -1.188 104 HD12 LEU 14 HD12 LEU 14 31.356 4.843 -2.803 105 HD13 LEU 14 HD13 LEU 14 30.106 3.721 -2.263 106 HD21 LEU 14 HD21 LEU 14 30.014 7.402 -3.871 107 HD22 LEU 14 HD22 LEU 14 29.180 6.187 -4.839 108 HD23 LEU 14 HD23 LEU 14 30.841 5.910 -4.314 109 H ASP 15 H ASP 15 26.688 6.858 -1.217 110 HA ASP 15 HA ASP 15 24.548 5.193 -0.270 111 HB2 ASP 15 HB2 ASP 15 24.642 6.513 1.730 112 HB3 ASP 15 HB3 ASP 15 26.309 6.298 1.185 113 H AIB 16 H AIB 16 23.699 6.107 -2.609 114 HB11 AIB 16 HB11 AIB 16 20.331 6.337 -2.286 115 HB12 AIB 16 HB12 AIB 16 20.159 8.062 -1.970 116 HB13 AIB 16 HB13 AIB 16 21.063 7.048 -0.847 117 HB21 AIB 16 HB21 AIB 16 22.201 9.400 -1.708 118 HB22 AIB 16 HB22 AIB 16 21.710 9.473 -3.400 119 HB23 AIB 16 HB23 AIB 16 23.398 9.174 -2.983 120 H ARG 17 H ARG 17 23.901 7.009 -4.383 121 HA ARG 17 HA ARG 17 22.057 6.583 -6.618 122 HB2 ARG 17 HB2 ARG 17 24.072 8.024 -6.898 123 HB3 ARG 17 HB3 ARG 17 25.083 6.623 -6.560 124 HG2 ARG 17 HG2 ARG 17 24.881 6.973 -8.990 125 HG3 ARG 17 HG3 ARG 17 24.133 5.452 -8.516 126 HD2 ARG 17 HD2 ARG 17 22.878 7.149 -10.129 127 HD3 ARG 17 HD3 ARG 17 21.992 6.216 -8.928 128 HE ARG 17 HE ARG 17 22.935 8.829 -8.044 129 HH11 ARG 17 HH11 ARG 17 20.397 6.912 -9.417 130 HH12 ARG 17 HH12 ARG 17 19.138 8.011 -8.962 131 HH21 ARG 17 HH21 ARG 17 21.286 10.269 -7.447 132 HH22 ARG 17 HH22 ARG 17 19.640 9.910 -7.849 133 H ARG 18 H ARG 18 23.901 4.881 -4.304 134 HA ARG 18 HA ARG 18 23.535 2.340 -5.785 135 HB2 ARG 18 HB2 ARG 18 25.937 3.136 -5.203 136 HB3 ARG 18 HB3 ARG 18 25.501 2.754 -3.533 137 HG2 ARG 18 HG2 ARG 18 24.630 0.509 -4.804 138 HG3 ARG 18 HG3 ARG 18 26.008 0.939 -5.816 139 HD2 ARG 18 HD2 ARG 18 26.060 0.596 -2.805 140 HD3 ARG 18 HD3 ARG 18 26.710 -0.542 -3.981 141 HE ARG 18 HE ARG 18 27.901 1.987 -3.173 142 HH11 ARG 18 HH11 ARG 18 27.733 -0.590 -5.476 143 HH12 ARG 18 HH12 ARG 18 29.320 -0.311 -6.111 144 HH21 ARG 18 HH21 ARG 18 29.983 2.361 -4.001 145 HH22 ARG 18 HH22 ARG 18 30.594 1.359 -5.277 146 H ALA 19 H ALA 19 22.023 4.164 -3.816 147 HA ALA 19 HA ALA 19 21.250 2.038 -1.923 148 HB1 ALA 19 HB1 ALA 19 20.676 4.561 -0.795 149 HB2 ALA 19 HB2 ALA 19 22.323 4.655 -1.435 150 HB3 ALA 19 HB3 ALA 19 21.896 3.399 -0.266 151 H GLN 20 H GLN 20 20.304 4.811 -3.893 152 HA GLN 20 HA GLN 20 17.497 4.549 -3.204 153 HB2 GLN 20 HB2 GLN 20 18.569 6.738 -3.826 154 HB3 GLN 20 HB3 GLN 20 18.727 6.132 -5.474 155 HG2 GLN 20 HG2 GLN 20 16.057 5.620 -4.708 156 HG3 GLN 20 HG3 GLN 20 16.410 7.263 -4.176 157 HE21 GLN 20 HE21 GLN 20 15.988 5.208 -6.996 158 HE22 GLN 20 HE22 GLN 20 16.108 6.449 -8.148 159 H ASP 21 H ASP 21 19.684 3.345 -5.614 160 HA ASP 21 HA ASP 21 17.511 2.368 -7.313 161 HB2 ASP 21 HB2 ASP 21 19.061 2.337 -8.945 162 HB3 ASP 21 HB3 ASP 21 20.147 3.147 -7.809 163 H PHE 22 H PHE 22 19.079 1.472 -4.544 164 HA PHE 22 HA PHE 22 18.814 -1.420 -5.046 165 HB2 PHE 22 HB2 PHE 22 21.016 -0.364 -4.240 166 HB3 PHE 22 HB3 PHE 22 20.184 -0.134 -2.696 167 HD1 PHE 22 HD1 PHE 22 20.692 -2.764 -5.307 168 HD2 PHE 22 HD2 PHE 22 20.280 -1.859 -1.131 169 HE1 PHE 22 HE1 PHE 22 21.056 -5.136 -4.760 170 HE2 PHE 22 HE2 PHE 22 20.649 -4.241 -0.581 171 HZ PHE 22 HZ PHE 22 21.043 -5.892 -2.393 172 H VAL 23 H VAL 23 18.535 0.759 -2.228 173 HA VAL 23 HA VAL 23 16.786 -0.866 -0.769 174 HB VAL 23 HB VAL 23 17.071 2.143 -0.692 175 HG11 VAL 23 HG11 VAL 23 16.412 1.419 1.821 176 HG12 VAL 23 HG12 VAL 23 15.550 0.164 0.930 177 HG13 VAL 23 HG13 VAL 23 15.205 1.865 0.615 178 HG21 VAL 23 HG21 VAL 23 19.208 1.255 -0.235 179 HG22 VAL 23 HG22 VAL 23 18.545 -0.147 0.605 180 HG23 VAL 23 HG23 VAL 23 18.493 1.443 1.367 181 H GLN 24 H GLN 24 16.125 0.425 -3.699 182 HA GLN 24 HA GLN 24 13.403 1.280 -3.153 183 HB2 GLN 24 HB2 GLN 24 15.286 1.443 -5.400 184 HB3 GLN 24 HB3 GLN 24 13.623 1.102 -5.889 185 HG2 GLN 24 HG2 GLN 24 14.168 3.559 -5.736 186 HG3 GLN 24 HG3 GLN 24 12.807 3.058 -4.737 187 HE21 GLN 24 HE21 GLN 24 15.982 2.113 -3.621 188 HE22 GLN 24 HE22 GLN 24 16.094 3.257 -2.374 189 H TRP 25 H TRP 25 15.080 -1.607 -4.044 190 HA TRP 25 HA TRP 25 12.527 -2.897 -4.835 191 HB2 TRP 25 HB2 TRP 25 13.852 -3.873 -6.366 192 HB3 TRP 25 HB3 TRP 25 15.327 -3.317 -5.552 193 HD1 TRP 25 HD1 TRP 25 12.858 -6.184 -5.641 194 HE1 TRP 25 HE1 TRP 25 13.816 -8.158 -4.252 195 HE3 TRP 25 HE3 TRP 25 16.834 -3.881 -3.548 196 HZ2 TRP 25 HZ2 TRP 25 16.030 -8.633 -2.443 197 HZ3 TRP 25 HZ3 TRP 25 18.350 -5.049 -2.027 198 HH2 TRP 25 HH2 TRP 25 17.966 -7.439 -1.458 199 H LEU 26 H LEU 26 15.276 -3.019 -2.642 200 HA LEU 26 HA LEU 26 14.793 -5.316 -1.260 201 HB2 LEU 26 HB2 LEU 26 16.693 -3.729 -0.840 202 HB3 LEU 26 HB3 LEU 26 15.574 -2.699 0.040 203 HG LEU 26 HG LEU 26 15.042 -4.818 1.453 204 HD11 LEU 26 HD11 LEU 26 16.132 -6.532 0.136 205 HD12 LEU 26 HD12 LEU 26 17.057 -6.340 1.623 206 HD13 LEU 26 HD13 LEU 26 17.647 -5.625 0.129 207 HD21 LEU 26 HD21 LEU 26 16.273 -2.843 2.277 208 HD22 LEU 26 HD22 LEU 26 17.770 -3.507 1.621 209 HD23 LEU 26 HD23 LEU 26 16.941 -4.335 2.941 210 H MET 27 H MET 27 13.193 -2.181 -0.925 211 HA MET 27 HA MET 27 11.445 -3.205 1.185 212 HB2 MET 27 HB2 MET 27 10.640 -0.931 1.371 213 HB3 MET 27 HB3 MET 27 12.406 -0.900 1.307 214 HG2 MET 27 HG2 MET 27 12.171 0.593 -0.374 215 HG3 MET 27 HG3 MET 27 11.671 -0.779 -1.369 216 HE1 MET 27 HE1 MET 27 10.615 1.549 -2.621 217 HE2 MET 27 HE2 MET 27 11.000 2.501 -1.190 218 HE3 MET 27 HE3 MET 27 9.366 2.530 -1.845 219 H ASN 28 H ASN 28 9.208 -1.522 0.405 220 HA ASN 28 HA ASN 28 7.208 -1.749 -0.703 221 HB2 ASN 28 HB2 ASN 28 8.580 -0.889 -2.579 222 HB3 ASN 28 HB3 ASN 28 8.994 -2.544 -3.014 223 HD21 ASN 28 HD21 ASN 28 5.802 -2.260 -1.769 224 HD22 ASN 28 HD22 ASN 28 4.983 -2.277 -3.257 225 H THR 29 H THR 29 8.245 -4.027 0.768 226 HA THR 29 HA THR 29 6.678 -6.124 -0.571 227 HB THR 29 HB THR 29 8.487 -7.756 0.324 228 HG1 THR 29 HG1 THR 29 10.418 -5.952 -0.192 229 HG21 THR 29 HG21 THR 29 8.179 -7.617 -2.016 230 HG22 THR 29 HG22 THR 29 9.892 -7.265 -1.787 231 HG23 THR 29 HG23 THR 29 8.753 -5.951 -2.078 232 HN1 NH2 30 HN1 NH2 30 5.015 -6.363 0.933 233 HN2 NH2 30 HN2 NH2 30 5.252 -6.558 2.602 234 H GGL 101 H1 GGL 101 33.485 11.594 -8.996 235 HA GGL 101 HA GGL 101 32.098 9.751 -8.960 236 HB2 GGL 101 HB2 GGL 101 30.181 10.876 -10.931 237 HB3 GGL 101 HB3 GGL 101 30.331 11.725 -9.393 238 HG2 GGL 101 HG2 GGL 101 29.779 8.756 -9.710 239 HG3 GGL 101 HG3 GGL 101 29.891 9.628 -8.181 240 H GGL 102 H GGL 102 30.908 13.608 -11.204 241 HA GGL 102 HA GGL 102 31.680 16.461 -11.089 242 HB2 GGL 102 HB2 GGL 102 33.774 14.540 -11.817 243 HB3 GGL 102 HB3 GGL 102 33.801 15.843 -10.628 244 HG2 GGL 102 HG2 GGL 102 34.004 13.834 -9.366 245 HG3 GGL 102 HG3 GGL 102 32.329 14.345 -9.166 246 H21 PLM 103 H21 PLM 103 28.872 13.085 -10.630 247 H22 PLM 103 H22 PLM 103 28.196 14.032 -9.306 248 H31 PLM 103 H31 PLM 103 26.992 15.450 -10.827 249 H32 PLM 103 H32 PLM 103 27.843 14.780 -12.218 250 H41 PLM 103 H41 PLM 103 25.407 13.923 -11.528 251 H42 PLM 103 H42 PLM 103 26.348 12.881 -10.461 252 H51 PLM 103 H51 PLM 103 26.718 13.141 -13.464 253 H52 PLM 103 H52 PLM 103 27.680 12.113 -12.403 254 H61 PLM 103 H61 PLM 103 24.799 11.832 -13.214 255 H62 PLM 103 H62 PLM 103 25.343 11.150 -11.681 256 H71 PLM 103 H71 PLM 103 25.458 9.738 -13.944 257 H72 PLM 103 H72 PLM 103 26.984 10.602 -14.122 258 H81 PLM 103 H81 PLM 103 26.158 8.954 -11.712 259 H82 PLM 103 H82 PLM 103 27.679 9.826 -11.880 260 H91 PLM 103 H91 PLM 103 27.037 8.017 -14.129 261 H92 PLM 103 H92 PLM 103 28.567 8.276 -13.296 262 HA1 PLM 103 HA1 PLM 103 26.239 6.688 -12.160 263 HA2 PLM 103 HA2 PLM 103 27.650 5.980 -12.943 264 HB1 PLM 103 HB1 PLM 103 27.790 7.781 -10.507 265 HB2 PLM 103 HB2 PLM 103 29.126 6.901 -11.248 266 HC1 PLM 103 HC1 PLM 103 26.736 5.772 -9.781 267 HC2 PLM 103 HC2 PLM 103 27.758 4.776 -10.813 268 HD1 PLM 103 HD1 PLM 103 29.434 4.719 -9.288 269 HD2 PLM 103 HD2 PLM 103 29.299 6.443 -8.955 270 HE1 PLM 103 HE1 PLM 103 27.286 5.961 -7.539 271 HE2 PLM 103 HE2 PLM 103 28.753 5.201 -6.929 272 HF1 PLM 103 HF1 PLM 103 26.361 3.897 -7.412 273 HF2 PLM 103 HF2 PLM 103 27.312 3.509 -8.843 274 HG1 PLM 103 HG1 PLM 103 29.192 2.810 -7.360 275 HG2 PLM 103 HG2 PLM 103 28.157 3.098 -5.963 276 HG3 PLM 103 HG3 PLM 103 27.740 1.836 -7.122 Start of MODEL 6 1 H1 HIS 1 H1 HIS 1 36.534 3.268 -6.766 2 H2 HIS 1 H2 HIS 1 37.534 4.121 -5.690 3 H3 HIS 1 H3 HIS 1 36.000 3.590 -5.187 4 HA HIS 1 HA HIS 1 36.892 1.726 -4.439 5 HB2 HIS 1 HB2 HIS 1 37.784 1.417 -7.323 6 HB3 HIS 1 HB3 HIS 1 37.811 0.124 -6.117 7 HD2 HIS 1 HD2 HIS 1 35.519 -1.379 -6.346 8 HE1 HIS 1 HE1 HIS 1 32.887 1.682 -7.580 9 HE2 HIS 1 HE2 HIS 1 33.069 -0.790 -7.031 10 H AIB 2 H AIB 2 38.831 4.149 -5.715 11 HB11 AIB 2 HB11 AIB 2 41.985 5.436 -5.715 12 HB12 AIB 2 HB12 AIB 2 41.030 5.833 -4.285 13 HB13 AIB 2 HB13 AIB 2 40.248 5.694 -5.860 14 HB21 AIB 2 HB21 AIB 2 41.476 3.213 -6.918 15 HB22 AIB 2 HB22 AIB 2 41.583 1.952 -5.692 16 HB23 AIB 2 HB23 AIB 2 42.741 3.282 -5.692 17 H GLN 3 H GLN 3 39.194 3.747 -3.006 18 HA GLN 3 HA GLN 3 39.312 3.158 -0.784 19 HB2 GLN 3 HB2 GLN 3 41.000 1.366 -1.984 20 HB3 GLN 3 HB3 GLN 3 42.082 2.162 -0.840 21 HG2 GLN 3 HG2 GLN 3 40.421 1.750 0.970 22 HG3 GLN 3 HG3 GLN 3 39.417 0.868 -0.186 23 HE21 GLN 3 HE21 GLN 3 39.760 -1.350 -0.148 24 HE22 GLN 3 HE22 GLN 3 41.209 -2.105 0.311 25 H GLY 4 H GLY 4 42.644 4.033 -1.745 26 HA2 GLY 4 HA2 GLY 4 43.131 5.591 0.586 27 HA3 GLY 4 HA3 GLY 4 44.105 5.595 -0.883 28 H THR 5 H THR 5 42.062 6.346 -2.697 29 HA THR 5 HA THR 5 41.249 9.011 -1.757 30 HB THR 5 HB THR 5 42.944 9.849 -3.001 31 HG1 THR 5 HG1 THR 5 42.179 9.494 -5.427 32 HG21 THR 5 HG21 THR 5 44.052 7.724 -3.282 33 HG22 THR 5 HG22 THR 5 44.029 8.540 -4.845 34 HG23 THR 5 HG23 THR 5 42.892 7.234 -4.514 35 H PHE 6 H PHE 6 39.164 8.023 -1.557 36 HA PHE 6 HA PHE 6 37.552 8.326 -3.901 37 HB2 PHE 6 HB2 PHE 6 38.454 6.112 -4.411 38 HB3 PHE 6 HB3 PHE 6 37.962 5.527 -2.822 39 HD1 PHE 6 HD1 PHE 6 36.461 7.357 -5.741 40 HD2 PHE 6 HD2 PHE 6 35.946 4.362 -2.701 41 HE1 PHE 6 HE1 PHE 6 34.210 6.833 -6.638 42 HE2 PHE 6 HE2 PHE 6 33.695 3.841 -3.600 43 HZ PHE 6 HZ PHE 6 32.828 5.075 -5.568 44 H THR 7 H THR 7 38.063 7.944 -0.590 45 HA THR 7 HA THR 7 35.402 7.365 0.268 46 HB THR 7 HB THR 7 36.210 8.136 2.481 47 HG1 THR 7 HG1 THR 7 38.483 8.722 2.512 48 HG21 THR 7 HG21 THR 7 36.672 5.848 1.863 49 HG22 THR 7 HG22 THR 7 38.113 6.497 2.647 50 HG23 THR 7 HG23 THR 7 38.059 6.342 0.892 51 H SER 8 H SER 8 37.188 10.312 -0.446 52 HA SER 8 HA SER 8 35.603 12.253 0.705 53 HB2 SER 8 HB2 SER 8 36.525 12.677 -2.104 54 HB3 SER 8 HB3 SER 8 36.621 13.759 -0.718 55 HG SER 8 HG SER 8 38.168 11.446 -1.264 56 H ASP 9 H ASP 9 34.679 9.957 -1.597 57 HA ASP 9 HA ASP 9 32.153 11.408 -2.071 58 HB2 ASP 9 HB2 ASP 9 33.655 11.537 -4.083 59 HB3 ASP 9 HB3 ASP 9 33.590 9.772 -4.174 60 H TYR 10 H TYR 10 31.858 9.863 -0.115 61 HA TYR 10 HA TYR 10 30.576 7.443 -1.158 62 HB2 TYR 10 HB2 TYR 10 33.068 7.285 0.035 63 HB3 TYR 10 HB3 TYR 10 31.973 6.955 1.374 64 HD1 TYR 10 HD1 TYR 10 29.721 5.590 0.049 65 HD2 TYR 10 HD2 TYR 10 33.951 5.209 -0.607 66 HE1 TYR 10 HE1 TYR 10 29.382 3.286 -0.799 67 HE2 TYR 10 HE2 TYR 10 33.611 2.904 -1.451 68 HH TYR 10 HH TYR 10 31.820 1.069 -1.113 69 H SER 11 H SER 11 29.834 10.113 0.053 70 HA SER 11 HA SER 11 27.938 9.032 2.015 71 HB2 SER 11 HB2 SER 11 29.493 9.829 3.562 72 HB3 SER 11 HB3 SER 11 29.978 11.175 2.534 73 HG SER 11 HG SER 11 28.249 12.284 3.150 74 H LYS 12 H LYS 12 28.327 10.519 -0.781 75 HA LYS 12 HA LYS 12 25.806 11.973 -0.537 76 HB2 LYS 12 HB2 LYS 12 28.332 13.271 -1.588 77 HB3 LYS 12 HB3 LYS 12 26.717 13.977 -1.645 78 HG2 LYS 12 HG2 LYS 12 26.639 13.700 0.887 79 HG3 LYS 12 HG3 LYS 12 28.362 13.327 0.810 80 HD2 LYS 12 HD2 LYS 12 27.066 15.873 -0.213 81 HD3 LYS 12 HD3 LYS 12 27.994 15.724 1.280 82 HE2 LYS 12 HE2 LYS 12 29.859 14.756 -0.295 83 HE3 LYS 12 HE3 LYS 12 28.954 15.584 -1.565 84 HZ1 LYS 12 HZ1 LYS 12 30.687 16.986 -0.601 85 HZ2 LYS 12 HZ2 LYS 12 29.956 16.854 0.926 86 HZ3 LYS 12 HZ3 LYS 12 29.143 17.639 -0.343 87 H LYS 13 H LYS 13 27.441 9.670 -2.030 88 HA LYS 13 HA LYS 13 26.043 10.137 -4.570 89 HB2 LYS 13 HB2 LYS 13 28.754 10.490 -4.391 90 HB3 LYS 13 HB3 LYS 13 28.664 8.801 -4.870 91 HG2 LYS 13 HG2 LYS 13 27.224 11.067 -6.289 92 HG3 LYS 13 HG3 LYS 13 28.745 10.367 -6.823 93 HD2 LYS 13 HD2 LYS 13 26.144 8.845 -6.497 94 HD3 LYS 13 HD3 LYS 13 26.808 9.397 -8.029 95 HE2 LYS 13 HE2 LYS 13 27.712 7.168 -6.261 96 HE3 LYS 13 HE3 LYS 13 27.616 7.240 -8.015 97 HZ1 LYS 13 HZ1 LYS 13 29.687 8.783 -6.583 98 H LEU 14 H LEU 14 28.294 7.548 -3.612 99 HA LEU 14 HA LEU 14 26.725 5.462 -4.555 100 HB2 LEU 14 HB2 LEU 14 28.612 5.403 -2.187 101 HB3 LEU 14 HB3 LEU 14 28.012 3.996 -3.064 102 HG LEU 14 HG LEU 14 28.995 5.586 -5.096 103 HD11 LEU 14 HD11 LEU 14 30.000 7.104 -3.399 104 HD12 LEU 14 HD12 LEU 14 31.220 6.312 -4.392 105 HD13 LEU 14 HD13 LEU 14 30.912 5.742 -2.753 106 HD21 LEU 14 HD21 LEU 14 30.506 3.469 -3.534 107 HD22 LEU 14 HD22 LEU 14 30.806 3.936 -5.205 108 HD23 LEU 14 HD23 LEU 14 29.300 3.130 -4.773 109 H ASP 15 H ASP 15 26.722 7.066 -1.413 110 HA ASP 15 HA ASP 15 24.694 5.334 -0.317 111 HB2 ASP 15 HB2 ASP 15 26.453 6.674 1.003 112 HB3 ASP 15 HB3 ASP 15 25.423 8.080 0.711 113 H AIB 16 H AIB 16 23.764 6.009 -2.657 114 HB11 AIB 16 HB11 AIB 16 21.108 7.113 -0.939 115 HB12 AIB 16 HB12 AIB 16 20.441 6.113 -2.226 116 HB13 AIB 16 HB13 AIB 16 20.130 7.848 -2.207 117 HB21 AIB 16 HB21 AIB 16 21.596 9.219 -3.680 118 HB22 AIB 16 HB22 AIB 16 23.324 9.006 -3.389 119 HB23 AIB 16 HB23 AIB 16 22.230 9.311 -2.039 120 H ARG 17 H ARG 17 23.853 7.053 -4.649 121 HA ARG 17 HA ARG 17 22.014 6.235 -6.743 122 HB2 ARG 17 HB2 ARG 17 24.933 6.852 -6.556 123 HB3 ARG 17 HB3 ARG 17 24.330 5.929 -7.937 124 HG2 ARG 17 HG2 ARG 17 22.881 8.427 -7.142 125 HG3 ARG 17 HG3 ARG 17 24.396 8.577 -8.031 126 HD2 ARG 17 HD2 ARG 17 22.365 6.626 -9.030 127 HD3 ARG 17 HD3 ARG 17 22.075 8.341 -9.307 128 HE ARG 17 HE ARG 17 24.072 6.708 -10.593 129 HH11 ARG 17 HH11 ARG 17 23.208 9.885 -9.529 130 HH12 ARG 17 HH12 ARG 17 24.207 10.695 -10.688 131 HH21 ARG 17 HH21 ARG 17 25.386 7.763 -12.118 132 HH22 ARG 17 HH22 ARG 17 25.440 9.495 -12.153 133 H ARG 18 H ARG 18 24.009 4.780 -4.349 134 HA ARG 18 HA ARG 18 23.707 2.130 -5.644 135 HB2 ARG 18 HB2 ARG 18 26.083 3.128 -5.102 136 HB3 ARG 18 HB3 ARG 18 25.674 2.683 -3.439 137 HG2 ARG 18 HG2 ARG 18 25.130 0.369 -4.281 138 HG3 ARG 18 HG3 ARG 18 25.777 0.848 -5.850 139 HD2 ARG 18 HD2 ARG 18 27.706 1.629 -3.939 140 HD3 ARG 18 HD3 ARG 18 27.203 0.002 -3.486 141 HE ARG 18 HE ARG 18 28.730 0.736 -5.812 142 HH11 ARG 18 HH11 ARG 18 26.426 -1.483 -4.490 143 HH12 ARG 18 HH12 ARG 18 26.859 -2.780 -5.552 144 HH21 ARG 18 HH21 ARG 18 29.305 -0.962 -7.208 145 HH22 ARG 18 HH22 ARG 18 28.489 -2.486 -7.089 146 H ALA 19 H ALA 19 22.049 3.931 -3.855 147 HA ALA 19 HA ALA 19 21.424 1.901 -1.818 148 HB1 ALA 19 HB1 ALA 19 22.422 4.591 -1.457 149 HB2 ALA 19 HB2 ALA 19 22.166 3.321 -0.251 150 HB3 ALA 19 HB3 ALA 19 20.838 4.395 -0.694 151 H GLN 20 H GLN 20 20.376 4.641 -3.800 152 HA GLN 20 HA GLN 20 17.612 4.420 -3.010 153 HB2 GLN 20 HB2 GLN 20 18.654 6.534 -3.868 154 HB3 GLN 20 HB3 GLN 20 18.740 5.785 -5.464 155 HG2 GLN 20 HG2 GLN 20 16.108 5.346 -4.562 156 HG3 GLN 20 HG3 GLN 20 16.476 7.018 -4.148 157 HE21 GLN 20 HE21 GLN 20 15.649 4.905 -6.750 158 HE22 GLN 20 HE22 GLN 20 15.849 6.027 -8.008 159 H ASP 21 H ASP 21 19.191 3.889 -6.174 160 HA ASP 21 HA ASP 21 17.087 2.545 -7.400 161 HB2 ASP 21 HB2 ASP 21 19.433 3.347 -8.302 162 HB3 ASP 21 HB3 ASP 21 19.900 1.681 -7.942 163 H PHE 22 H PHE 22 18.849 1.596 -4.718 164 HA PHE 22 HA PHE 22 18.402 -1.277 -5.184 165 HB2 PHE 22 HB2 PHE 22 20.683 -0.293 -4.487 166 HB3 PHE 22 HB3 PHE 22 19.943 -0.079 -2.896 167 HD1 PHE 22 HD1 PHE 22 20.233 -2.653 -5.593 168 HD2 PHE 22 HD2 PHE 22 20.064 -1.848 -1.381 169 HE1 PHE 22 HE1 PHE 22 20.550 -5.049 -5.124 170 HE2 PHE 22 HE2 PHE 22 20.390 -4.254 -0.908 171 HZ PHE 22 HZ PHE 22 20.639 -5.866 -2.781 172 H VAL 23 H VAL 23 18.416 0.799 -2.285 173 HA VAL 23 HA VAL 23 16.670 -0.755 -0.779 174 HB VAL 23 HB VAL 23 17.117 2.230 -0.635 175 HG11 VAL 23 HG11 VAL 23 16.563 1.489 1.886 176 HG12 VAL 23 HG12 VAL 23 15.604 0.277 1.034 177 HG13 VAL 23 HG13 VAL 23 15.302 1.993 0.761 178 HG21 VAL 23 HG21 VAL 23 18.358 0.135 1.134 179 HG22 VAL 23 HG22 VAL 23 18.925 1.770 0.786 180 HG23 VAL 23 HG23 VAL 23 19.079 0.506 -0.432 181 H GLN 24 H GLN 24 15.865 0.720 -3.621 182 HA GLN 24 HA GLN 24 13.220 1.612 -2.813 183 HB2 GLN 24 HB2 GLN 24 12.900 2.213 -5.145 184 HB3 GLN 24 HB3 GLN 24 14.479 2.796 -4.605 185 HG2 GLN 24 HG2 GLN 24 15.016 1.793 -6.641 186 HG3 GLN 24 HG3 GLN 24 15.330 0.482 -5.505 187 HE21 GLN 24 HE21 GLN 24 14.084 -1.413 -5.718 188 HE22 GLN 24 HE22 GLN 24 12.817 -1.593 -6.832 189 H TRP 25 H TRP 25 14.708 -1.310 -3.758 190 HA TRP 25 HA TRP 25 12.080 -2.488 -4.496 191 HB2 TRP 25 HB2 TRP 25 13.282 -3.433 -6.145 192 HB3 TRP 25 HB3 TRP 25 14.821 -2.973 -5.396 193 HD1 TRP 25 HD1 TRP 25 12.232 -5.737 -5.447 194 HE1 TRP 25 HE1 TRP 25 13.203 -7.805 -4.214 195 HE3 TRP 25 HE3 TRP 25 16.420 -3.670 -3.534 196 HZ2 TRP 25 HZ2 TRP 25 15.517 -8.439 -2.586 197 HZ3 TRP 25 HZ3 TRP 25 17.993 -4.960 -2.175 198 HH2 TRP 25 HH2 TRP 25 17.559 -7.359 -1.686 199 H LEU 26 H LEU 26 14.931 -2.734 -2.459 200 HA LEU 26 HA LEU 26 14.432 -5.092 -1.153 201 HB2 LEU 26 HB2 LEU 26 16.453 -3.639 -0.844 202 HB3 LEU 26 HB3 LEU 26 15.478 -2.584 0.168 203 HG LEU 26 HG LEU 26 14.935 -4.741 1.531 204 HD11 LEU 26 HD11 LEU 26 15.850 -6.430 0.048 205 HD12 LEU 26 HD12 LEU 26 16.866 -6.364 1.485 206 HD13 LEU 26 HD13 LEU 26 17.406 -5.598 -0.002 207 HD21 LEU 26 HD21 LEU 26 16.965 -4.409 2.887 208 HD22 LEU 26 HD22 LEU 26 16.313 -2.862 2.346 209 HD23 LEU 26 HD23 LEU 26 17.725 -3.554 1.546 210 H MET 27 H MET 27 12.991 -1.912 -0.669 211 HA MET 27 HA MET 27 11.382 -2.903 1.577 212 HB2 MET 27 HB2 MET 27 10.771 -0.606 1.943 213 HB3 MET 27 HB3 MET 27 12.514 -0.657 1.666 214 HG2 MET 27 HG2 MET 27 12.089 0.971 0.133 215 HG3 MET 27 HG3 MET 27 11.585 -0.377 -0.891 216 HE1 MET 27 HE1 MET 27 10.378 1.931 -2.005 217 HE2 MET 27 HE2 MET 27 8.655 1.560 -2.020 218 HE3 MET 27 HE3 MET 27 9.827 0.282 -2.332 219 H ASN 28 H ASN 28 11.136 -3.305 -1.569 220 HA ASN 28 HA ASN 28 8.337 -2.480 -1.872 221 HB2 ASN 28 HB2 ASN 28 9.909 -2.036 -3.728 222 HB3 ASN 28 HB3 ASN 28 10.217 -3.766 -3.865 223 HD21 ASN 28 HD21 ASN 28 6.967 -3.016 -2.981 224 HD22 ASN 28 HD22 ASN 28 6.272 -3.229 -4.516 225 H THR 29 H THR 29 9.106 -4.604 -0.010 226 HA THR 29 HA THR 29 7.428 -6.741 -1.144 227 HB THR 29 HB THR 29 9.132 -8.191 -1.194 228 HG1 THR 29 HG1 THR 29 8.513 -8.567 0.990 229 HG21 THR 29 HG21 THR 29 10.589 -6.271 -1.637 230 HG22 THR 29 HG22 THR 29 11.433 -7.451 -0.636 231 HG23 THR 29 HG23 THR 29 10.771 -5.990 0.094 232 HN1 NH2 30 HN1 NH2 30 6.265 -7.973 0.526 233 HN2 NH2 30 HN2 NH2 30 6.098 -7.349 2.094 234 H GGL 101 H1 GGL 101 33.583 10.622 -10.333 235 HA GGL 101 HA GGL 101 32.526 10.538 -7.574 236 HB2 GGL 101 HB2 GGL 101 32.134 8.696 -9.935 237 HB3 GGL 101 HB3 GGL 101 30.912 9.645 -9.087 238 HG2 GGL 101 HG2 GGL 101 32.217 7.082 -8.300 239 HG3 GGL 101 HG3 GGL 101 31.854 8.224 -7.008 240 H GGL 102 H GGL 102 29.223 12.688 -12.769 241 HA GGL 102 HA GGL 102 30.182 14.101 -10.494 242 HB2 GGL 102 HB2 GGL 102 31.685 11.789 -11.217 243 HB3 GGL 102 HB3 GGL 102 32.633 13.211 -11.649 244 HG2 GGL 102 HG2 GGL 102 31.333 12.759 -8.949 245 HG3 GGL 102 HG3 GGL 102 32.369 14.115 -9.393 246 H21 PLM 103 H21 PLM 103 27.146 10.746 -10.611 247 H22 PLM 103 H22 PLM 103 27.084 11.841 -11.991 248 H31 PLM 103 H31 PLM 103 27.107 9.660 -12.939 249 H32 PLM 103 H32 PLM 103 28.760 10.249 -13.118 250 H41 PLM 103 H41 PLM 103 27.753 8.447 -10.894 251 H42 PLM 103 H42 PLM 103 29.403 9.047 -11.053 252 H51 PLM 103 H51 PLM 103 28.148 6.791 -12.370 253 H52 PLM 103 H52 PLM 103 28.772 7.933 -13.558 254 H61 PLM 103 H61 PLM 103 30.346 6.787 -11.231 255 H62 PLM 103 H62 PLM 103 30.967 7.910 -12.441 256 H71 PLM 103 H71 PLM 103 30.063 6.054 -14.120 257 H72 PLM 103 H72 PLM 103 31.655 5.906 -13.375 258 H81 PLM 103 H81 PLM 103 29.907 3.900 -13.284 259 H82 PLM 103 H82 PLM 103 29.298 4.802 -11.897 260 H91 PLM 103 H91 PLM 103 32.158 3.869 -12.299 261 H92 PLM 103 H92 PLM 103 31.584 4.815 -10.926 262 HA1 PLM 103 HA1 PLM 103 29.801 2.651 -11.115 263 HA2 PLM 103 HA2 PLM 103 31.399 1.953 -11.384 264 HB1 PLM 103 HB1 PLM 103 32.188 3.192 -9.327 265 HB2 PLM 103 HB2 PLM 103 30.992 1.936 -9.003 266 HC1 PLM 103 HC1 PLM 103 30.827 4.658 -8.288 267 HC2 PLM 103 HC2 PLM 103 29.679 4.447 -9.609 268 HD1 PLM 103 HD1 PLM 103 28.771 2.434 -8.393 269 HD2 PLM 103 HD2 PLM 103 29.808 2.857 -7.033 270 HE1 PLM 103 HE1 PLM 103 28.652 5.241 -7.378 271 HE2 PLM 103 HE2 PLM 103 27.884 3.987 -6.403 272 HF1 PLM 103 HF1 PLM 103 26.515 5.192 -8.307 273 HF2 PLM 103 HF2 PLM 103 27.374 4.073 -9.364 274 HG1 PLM 103 HG1 PLM 103 26.608 2.331 -7.470 275 HG2 PLM 103 HG2 PLM 103 25.314 3.514 -7.285 276 HG3 PLM 103 HG3 PLM 103 25.578 2.733 -8.844 Start of MODEL 7 1 H1 HIS 1 H1 HIS 1 39.829 1.604 -8.916 2 H2 HIS 1 H2 HIS 1 38.939 1.165 -7.537 3 H3 HIS 1 H3 HIS 1 40.638 1.157 -7.493 4 HA HIS 1 HA HIS 1 40.597 3.212 -6.716 5 HB2 HIS 1 HB2 HIS 1 39.476 3.575 -9.486 6 HB3 HIS 1 HB3 HIS 1 39.635 4.964 -8.405 7 HD2 HIS 1 HD2 HIS 1 42.380 5.521 -7.614 8 HE1 HIS 1 HE1 HIS 1 44.081 3.135 -10.651 9 HE2 HIS 1 HE2 HIS 1 44.571 4.894 -8.887 10 H AIB 2 H AIB 2 39.399 4.001 -5.104 11 HB11 AIB 2 HB11 AIB 2 36.925 2.092 -4.825 12 HB12 AIB 2 HB12 AIB 2 35.721 3.065 -5.670 13 HB13 AIB 2 HB13 AIB 2 35.747 3.028 -3.906 14 HB21 AIB 2 HB21 AIB 2 35.578 5.412 -5.163 15 HB22 AIB 2 HB22 AIB 2 36.687 5.292 -6.529 16 HB23 AIB 2 HB23 AIB 2 37.095 6.311 -5.149 17 H GLN 3 H GLN 3 38.046 2.641 -2.927 18 HA GLN 3 HA GLN 3 37.475 4.051 -0.619 19 HB2 GLN 3 HB2 GLN 3 39.299 2.690 0.439 20 HB3 GLN 3 HB3 GLN 3 38.148 1.741 -0.501 21 HG2 GLN 3 HG2 GLN 3 39.795 0.999 -1.835 22 HG3 GLN 3 HG3 GLN 3 40.247 2.658 -2.238 23 HE21 GLN 3 HE21 GLN 3 42.406 3.034 -1.753 24 HE22 GLN 3 HE22 GLN 3 43.238 2.377 -0.427 25 H GLY 4 H GLY 4 39.656 4.933 -3.018 26 HA2 GLY 4 HA2 GLY 4 41.130 6.707 -1.155 27 HA3 GLY 4 HA3 GLY 4 41.845 6.022 -2.610 28 H THR 5 H THR 5 38.833 6.608 -3.597 29 HA THR 5 HA THR 5 39.278 9.463 -4.191 30 HB THR 5 HB THR 5 39.504 9.111 -6.388 31 HG1 THR 5 HG1 THR 5 37.217 8.829 -6.449 32 HG21 THR 5 HG21 THR 5 40.803 7.163 -5.529 33 HG22 THR 5 HG22 THR 5 40.122 6.876 -7.131 34 HG23 THR 5 HG23 THR 5 39.362 6.161 -5.709 35 H PHE 6 H PHE 6 37.346 7.527 -2.599 36 HA PHE 6 HA PHE 6 34.814 8.540 -3.694 37 HB2 PHE 6 HB2 PHE 6 33.725 6.807 -2.638 38 HB3 PHE 6 HB3 PHE 6 35.289 6.058 -2.928 39 HD1 PHE 6 HD1 PHE 6 37.096 6.884 -0.962 40 HD2 PHE 6 HD2 PHE 6 32.855 6.356 -0.528 41 HE1 PHE 6 HE1 PHE 6 37.387 6.539 1.475 42 HE2 PHE 6 HE2 PHE 6 33.147 6.019 1.908 43 HZ PHE 6 HZ PHE 6 35.413 6.109 2.911 44 H THR 7 H THR 7 36.934 8.788 -0.929 45 HA THR 7 HA THR 7 35.429 9.848 1.063 46 HB THR 7 HB THR 7 37.365 11.192 1.715 47 HG1 THR 7 HG1 THR 7 39.157 11.159 0.178 48 HG21 THR 7 HG21 THR 7 39.094 9.394 1.607 49 HG22 THR 7 HG22 THR 7 38.079 8.532 0.452 50 HG23 THR 7 HG23 THR 7 37.511 8.794 2.102 51 H SER 8 H SER 8 37.062 12.047 -1.223 52 HA SER 8 HA SER 8 35.262 14.194 -0.620 53 HB2 SER 8 HB2 SER 8 37.784 14.018 -1.708 54 HB3 SER 8 HB3 SER 8 36.795 14.437 -3.104 55 HG SER 8 HG SER 8 37.577 16.245 -1.813 56 H ASP 9 H ASP 9 34.078 11.698 -1.732 57 HA ASP 9 HA ASP 9 32.327 12.981 -3.646 58 HB2 ASP 9 HB2 ASP 9 33.926 10.555 -4.497 59 HB3 ASP 9 HB3 ASP 9 32.672 11.366 -5.440 60 H TYR 10 H TYR 10 32.503 11.410 -0.990 61 HA TYR 10 HA TYR 10 30.535 9.305 -1.613 62 HB2 TYR 10 HB2 TYR 10 32.581 8.674 -0.315 63 HB3 TYR 10 HB3 TYR 10 32.052 9.762 0.967 64 HD1 TYR 10 HD1 TYR 10 30.653 7.016 -1.181 65 HD2 TYR 10 HD2 TYR 10 30.789 8.843 2.704 66 HE1 TYR 10 HE1 TYR 10 29.167 5.245 -0.298 67 HE2 TYR 10 HE2 TYR 10 29.300 7.069 3.588 68 HH TYR 10 HH TYR 10 28.136 5.245 3.120 69 H SER 11 H SER 11 29.005 8.994 0.428 70 HA SER 11 HA SER 11 27.143 9.801 1.504 71 HB2 SER 11 HB2 SER 11 28.406 12.436 2.020 72 HB3 SER 11 HB3 SER 11 27.577 11.347 3.129 73 HG SER 11 HG SER 11 30.227 11.262 2.165 74 H LYS 12 H LYS 12 27.717 10.462 -1.395 75 HA LYS 12 HA LYS 12 25.561 12.427 -1.673 76 HB2 LYS 12 HB2 LYS 12 27.311 13.946 -1.915 77 HB3 LYS 12 HB3 LYS 12 28.365 12.761 -2.687 78 HG2 LYS 12 HG2 LYS 12 27.243 12.918 -4.747 79 HG3 LYS 12 HG3 LYS 12 25.801 13.621 -4.013 80 HD2 LYS 12 HD2 LYS 12 27.052 15.681 -3.505 81 HD3 LYS 12 HD3 LYS 12 28.503 14.982 -4.224 82 HE2 LYS 12 HE2 LYS 12 25.911 15.283 -5.754 83 HE3 LYS 12 HE3 LYS 12 27.161 16.528 -5.743 84 HZ1 LYS 12 HZ1 LYS 12 27.717 13.710 -6.464 85 HZ2 LYS 12 HZ2 LYS 12 28.702 15.070 -6.724 86 HZ3 LYS 12 HZ3 LYS 12 27.268 14.874 -7.614 87 H LYS 13 H LYS 13 27.811 10.220 -3.337 88 HA LYS 13 HA LYS 13 25.775 9.789 -5.416 89 HB2 LYS 13 HB2 LYS 13 28.712 9.661 -5.334 90 HB3 LYS 13 HB3 LYS 13 27.962 8.319 -6.198 91 HG2 LYS 13 HG2 LYS 13 27.069 11.146 -6.721 92 HG3 LYS 13 HG3 LYS 13 28.497 10.495 -7.519 93 HD2 LYS 13 HD2 LYS 13 26.010 8.839 -7.543 94 HD3 LYS 13 HD3 LYS 13 26.079 10.242 -8.609 95 HE2 LYS 13 HE2 LYS 13 28.110 7.991 -8.509 96 HE3 LYS 13 HE3 LYS 13 26.898 8.229 -9.763 97 HZ1 LYS 13 HZ1 LYS 13 28.148 10.526 -9.989 98 H LEU 14 H LEU 14 28.182 7.388 -4.528 99 HA LEU 14 HA LEU 14 26.599 5.197 -4.713 100 HB2 LEU 14 HB2 LEU 14 28.236 4.803 -2.390 101 HB3 LEU 14 HB3 LEU 14 28.423 4.132 -4.007 102 HG LEU 14 HG LEU 14 29.371 6.893 -3.173 103 HD11 LEU 14 HD11 LEU 14 31.576 5.985 -3.070 104 HD12 LEU 14 HD12 LEU 14 31.057 4.457 -3.777 105 HD13 LEU 14 HD13 LEU 14 30.567 4.881 -2.138 106 HD21 LEU 14 HD21 LEU 14 30.564 5.631 -5.528 107 HD22 LEU 14 HD22 LEU 14 29.872 7.244 -5.356 108 HD23 LEU 14 HD23 LEU 14 28.828 5.872 -5.714 109 H ASP 15 H ASP 15 26.799 7.384 -1.955 110 HA ASP 15 HA ASP 15 24.977 5.799 -0.374 111 HB2 ASP 15 HB2 ASP 15 26.763 7.427 0.521 112 HB3 ASP 15 HB3 ASP 15 25.635 8.713 0.076 113 H AIB 16 H AIB 16 23.932 6.146 -2.830 114 HB11 AIB 16 HB11 AIB 16 20.611 6.025 -2.292 115 HB12 AIB 16 HB12 AIB 16 20.182 7.733 -2.364 116 HB13 AIB 16 HB13 AIB 16 21.261 7.147 -1.100 117 HB21 AIB 16 HB21 AIB 16 22.143 9.352 -2.425 118 HB22 AIB 16 HB22 AIB 16 21.452 9.065 -4.022 119 HB23 AIB 16 HB23 AIB 16 23.201 9.025 -3.797 120 H ARG 17 H ARG 17 23.870 6.995 -4.896 121 HA ARG 17 HA ARG 17 22.067 5.944 -6.891 122 HB2 ARG 17 HB2 ARG 17 24.730 7.031 -6.774 123 HB3 ARG 17 HB3 ARG 17 24.738 5.513 -7.672 124 HG2 ARG 17 HG2 ARG 17 22.823 7.814 -8.189 125 HG3 ARG 17 HG3 ARG 17 24.281 7.499 -9.129 126 HD2 ARG 17 HD2 ARG 17 23.055 5.042 -9.184 127 HD3 ARG 17 HD3 ARG 17 21.670 6.128 -9.188 128 HE ARG 17 HE ARG 17 22.207 6.637 -11.374 129 HH11 ARG 17 HH11 ARG 17 25.016 5.551 -9.671 130 HH12 ARG 17 HH12 ARG 17 26.053 5.621 -11.057 131 HH21 ARG 17 HH21 ARG 17 23.559 6.730 -13.196 132 HH22 ARG 17 HH22 ARG 17 25.228 6.290 -13.053 133 H ARG 18 H ARG 18 23.931 4.673 -4.326 134 HA ARG 18 HA ARG 18 23.690 1.937 -5.442 135 HB2 ARG 18 HB2 ARG 18 26.065 2.948 -4.985 136 HB3 ARG 18 HB3 ARG 18 25.658 2.672 -3.286 137 HG2 ARG 18 HG2 ARG 18 24.972 0.285 -4.112 138 HG3 ARG 18 HG3 ARG 18 25.988 0.667 -5.503 139 HD2 ARG 18 HD2 ARG 18 27.708 1.412 -3.636 140 HD3 ARG 18 HD3 ARG 18 26.761 0.321 -2.630 141 HE ARG 18 HE ARG 18 27.255 -1.222 -4.778 142 HH11 ARG 18 HH11 ARG 18 29.259 0.860 -2.875 143 HH12 ARG 18 HH12 ARG 18 30.700 -0.068 -3.126 144 HH21 ARG 18 HH21 ARG 18 29.140 -2.445 -5.111 145 HH22 ARG 18 HH22 ARG 18 30.632 -1.940 -4.391 146 H ALA 19 H ALA 19 21.991 3.829 -3.819 147 HA ALA 19 HA ALA 19 21.337 1.934 -1.669 148 HB1 ALA 19 HB1 ALA 19 22.367 4.649 -1.425 149 HB2 ALA 19 HB2 ALA 19 22.188 3.397 -0.187 150 HB3 ALA 19 HB3 ALA 19 20.820 4.437 -0.593 151 H GLN 20 H GLN 20 20.403 4.580 -3.806 152 HA GLN 20 HA GLN 20 17.626 4.525 -3.011 153 HB2 GLN 20 HB2 GLN 20 18.782 6.544 -3.976 154 HB3 GLN 20 HB3 GLN 20 18.804 5.711 -5.532 155 HG2 GLN 20 HG2 GLN 20 16.329 5.480 -5.406 156 HG3 GLN 20 HG3 GLN 20 16.344 6.406 -3.905 157 HE21 GLN 20 HE21 GLN 20 16.523 6.644 -7.390 158 HE22 GLN 20 HE22 GLN 20 16.642 8.335 -7.461 159 H ASP 21 H ASP 21 19.222 3.757 -6.115 160 HA ASP 21 HA ASP 21 17.050 2.427 -7.272 161 HB2 ASP 21 HB2 ASP 21 19.024 3.137 -8.550 162 HB3 ASP 21 HB3 ASP 21 20.009 1.939 -7.702 163 H PHE 22 H PHE 22 18.753 1.572 -4.551 164 HA PHE 22 HA PHE 22 18.316 -1.317 -4.924 165 HB2 PHE 22 HB2 PHE 22 20.601 -0.317 -4.261 166 HB3 PHE 22 HB3 PHE 22 19.863 -0.055 -2.676 167 HD1 PHE 22 HD1 PHE 22 20.144 -2.705 -5.302 168 HD2 PHE 22 HD2 PHE 22 19.979 -1.783 -1.113 169 HE1 PHE 22 HE1 PHE 22 20.458 -5.087 -4.767 170 HE2 PHE 22 HE2 PHE 22 20.298 -4.178 -0.575 171 HZ PHE 22 HZ PHE 22 20.543 -5.840 -2.403 172 H VAL 23 H VAL 23 18.355 0.829 -2.078 173 HA VAL 23 HA VAL 23 16.588 -0.661 -0.538 174 HB VAL 23 HB VAL 23 17.069 2.322 -0.473 175 HG11 VAL 23 HG11 VAL 23 15.528 0.433 1.249 176 HG12 VAL 23 HG12 VAL 23 15.227 2.135 0.901 177 HG13 VAL 23 HG13 VAL 23 16.479 1.679 2.058 178 HG21 VAL 23 HG21 VAL 23 18.263 0.573 1.567 179 HG22 VAL 23 HG22 VAL 23 19.002 1.874 0.634 180 HG23 VAL 23 HG23 VAL 23 18.861 0.260 -0.062 181 H GLN 24 H GLN 24 15.799 0.760 -3.417 182 HA GLN 24 HA GLN 24 13.156 1.681 -2.631 183 HB2 GLN 24 HB2 GLN 24 12.842 2.237 -4.975 184 HB3 GLN 24 HB3 GLN 24 14.418 2.829 -4.443 185 HG2 GLN 24 HG2 GLN 24 14.963 1.786 -6.455 186 HG3 GLN 24 HG3 GLN 24 15.273 0.498 -5.294 187 HE21 GLN 24 HE21 GLN 24 14.028 -1.402 -5.472 188 HE22 GLN 24 HE22 GLN 24 12.764 -1.603 -6.587 189 H TRP 25 H TRP 25 14.631 -1.265 -3.512 190 HA TRP 25 HA TRP 25 11.999 -2.445 -4.237 191 HB2 TRP 25 HB2 TRP 25 13.203 -3.429 -5.862 192 HB3 TRP 25 HB3 TRP 25 14.742 -2.960 -5.115 193 HD1 TRP 25 HD1 TRP 25 12.141 -5.714 -5.122 194 HE1 TRP 25 HE1 TRP 25 13.101 -7.761 -3.846 195 HE3 TRP 25 HE3 TRP 25 16.333 -3.629 -3.235 196 HZ2 TRP 25 HZ2 TRP 25 15.407 -8.375 -2.200 197 HZ3 TRP 25 HZ3 TRP 25 17.896 -4.899 -1.849 198 HH2 TRP 25 HH2 TRP 25 17.451 -7.287 -1.316 199 H LEU 26 H LEU 26 14.853 -2.681 -2.197 200 HA LEU 26 HA LEU 26 14.333 -5.000 -0.836 201 HB2 LEU 26 HB2 LEU 26 16.360 -3.546 -0.548 202 HB3 LEU 26 HB3 LEU 26 15.383 -2.468 0.438 203 HG LEU 26 HG LEU 26 14.828 -4.596 1.840 204 HD11 LEU 26 HD11 LEU 26 15.741 -6.318 0.397 205 HD12 LEU 26 HD12 LEU 26 16.755 -6.225 1.837 206 HD13 LEU 26 HD13 LEU 26 17.301 -5.492 0.335 207 HD21 LEU 26 HD21 LEU 26 16.852 -4.244 3.199 208 HD22 LEU 26 HD22 LEU 26 16.208 -2.707 2.624 209 HD23 LEU 26 HD23 LEU 26 17.621 -3.419 1.843 210 H MET 27 H MET 27 12.910 -1.804 -0.422 211 HA MET 27 HA MET 27 11.287 -2.737 1.837 212 HB2 MET 27 HB2 MET 27 10.683 -0.430 2.149 213 HB3 MET 27 HB3 MET 27 12.428 -0.494 1.878 214 HG2 MET 27 HG2 MET 27 12.017 1.097 0.305 215 HG3 MET 27 HG3 MET 27 11.495 -0.268 -0.688 216 HE1 MET 27 HE1 MET 27 10.576 1.536 -1.937 217 HE2 MET 27 HE2 MET 27 10.116 2.967 -1.021 218 HE3 MET 27 HE3 MET 27 8.877 2.013 -1.831 219 H ASN 28 H ASN 28 11.075 -3.036 -1.381 220 HA ASN 28 HA ASN 28 8.206 -2.401 -1.556 221 HB2 ASN 28 HB2 ASN 28 9.966 -1.699 -3.333 222 HB3 ASN 28 HB3 ASN 28 9.888 -3.385 -3.843 223 HD21 ASN 28 HD21 ASN 28 9.002 -1.832 -5.805 224 HD22 ASN 28 HD22 ASN 28 7.308 -1.736 -5.865 225 H THR 29 H THR 29 10.402 -5.012 -1.201 226 HA THR 29 HA THR 29 8.915 -7.104 -2.386 227 HB THR 29 HB THR 29 10.240 -8.565 -0.811 228 HG1 THR 29 HG1 THR 29 11.324 -6.054 -0.063 229 HG21 THR 29 HG21 THR 29 11.274 -6.656 -2.806 230 HG22 THR 29 HG22 THR 29 11.478 -8.405 -2.709 231 HG23 THR 29 HG23 THR 29 12.503 -7.342 -1.744 232 HN1 NH2 30 HN1 NH2 30 9.301 -8.063 0.829 233 HN2 NH2 30 HN2 NH2 30 7.685 -7.918 1.326 234 H GGL 101 H1 GGL 101 34.048 12.035 -8.534 235 HA GGL 101 HA GGL 101 33.337 9.859 -8.811 236 HB2 GGL 101 HB2 GGL 101 30.733 11.321 -9.313 237 HB3 GGL 101 HB3 GGL 101 31.365 10.844 -7.737 238 HG2 GGL 101 HG2 GGL 101 31.470 8.487 -9.190 239 HG3 GGL 101 HG3 GGL 101 30.211 8.919 -8.035 240 H GGL 102 H GGL 102 31.817 13.360 -11.637 241 HA GGL 102 HA GGL 102 30.924 16.134 -11.172 242 HB2 GGL 102 HB2 GGL 102 33.600 15.449 -10.216 243 HB3 GGL 102 HB3 GGL 102 32.256 16.202 -9.358 244 HG2 GGL 102 HG2 GGL 102 32.614 14.124 -8.260 245 HG3 GGL 102 HG3 GGL 102 31.199 13.867 -9.278 246 H21 PLM 103 H21 PLM 103 30.139 11.860 -11.954 247 H22 PLM 103 H22 PLM 103 28.869 12.546 -10.942 248 H31 PLM 103 H31 PLM 103 27.544 13.078 -12.950 249 H32 PLM 103 H32 PLM 103 28.818 12.418 -13.972 250 H41 PLM 103 H41 PLM 103 26.733 10.930 -13.224 251 H42 PLM 103 H42 PLM 103 27.733 10.679 -11.795 252 H51 PLM 103 H51 PLM 103 28.551 10.160 -14.671 253 H52 PLM 103 H52 PLM 103 29.619 9.993 -13.278 254 H61 PLM 103 H61 PLM 103 27.162 8.372 -13.958 255 H62 PLM 103 H62 PLM 103 27.830 8.396 -12.326 256 H71 PLM 103 H71 PLM 103 29.308 7.590 -14.851 257 H72 PLM 103 H72 PLM 103 30.028 7.676 -13.244 258 H81 PLM 103 H81 PLM 103 29.045 5.387 -14.190 259 H82 PLM 103 H82 PLM 103 27.531 6.062 -13.590 260 H91 PLM 103 H91 PLM 103 29.013 6.574 -11.440 261 H92 PLM 103 H92 PLM 103 28.273 4.989 -11.676 262 HA1 PLM 103 HA1 PLM 103 30.319 4.055 -12.499 263 HA2 PLM 103 HA2 PLM 103 31.052 5.647 -12.671 264 HB1 PLM 103 HB1 PLM 103 30.890 5.938 -10.186 265 HB2 PLM 103 HB2 PLM 103 31.946 4.613 -10.665 266 HC1 PLM 103 HC1 PLM 103 29.462 3.386 -10.464 267 HC2 PLM 103 HC2 PLM 103 30.731 3.337 -9.244 268 HD1 PLM 103 HD1 PLM 103 29.804 5.296 -8.134 269 HD2 PLM 103 HD2 PLM 103 28.597 5.485 -9.406 270 HE1 PLM 103 HE1 PLM 103 28.028 4.204 -7.132 271 HE2 PLM 103 HE2 PLM 103 28.740 2.848 -8.007 272 HF1 PLM 103 HF1 PLM 103 26.456 4.593 -8.976 273 HF2 PLM 103 HF2 PLM 103 27.189 3.281 -9.898 274 HG1 PLM 103 HG1 PLM 103 26.622 1.754 -7.938 275 HG2 PLM 103 HG2 PLM 103 25.654 3.081 -7.296 276 HG3 PLM 103 HG3 PLM 103 25.238 2.357 -8.851 Start of MODEL 8 1 H1 HIS 1 H1 HIS 1 39.291 15.483 -17.464 2 H2 HIS 1 H2 HIS 1 39.500 13.805 -17.293 3 H3 HIS 1 H3 HIS 1 40.312 14.643 -18.528 4 HA HIS 1 HA HIS 1 42.042 14.859 -17.186 5 HB2 HIS 1 HB2 HIS 1 40.045 16.438 -15.533 6 HB3 HIS 1 HB3 HIS 1 41.797 16.481 -15.303 7 HD2 HIS 1 HD2 HIS 1 43.124 18.228 -17.012 8 HE1 HIS 1 HE1 HIS 1 39.901 19.019 -19.621 9 HE2 HIS 1 HE2 HIS 1 42.292 19.645 -19.043 10 H AIB 2 H AIB 2 39.705 14.908 -14.524 11 HB11 AIB 2 HB11 AIB 2 40.872 11.290 -14.155 12 HB12 AIB 2 HB12 AIB 2 39.327 11.809 -14.831 13 HB13 AIB 2 HB13 AIB 2 39.402 11.178 -13.185 14 HB21 AIB 2 HB21 AIB 2 38.222 12.810 -12.564 15 HB22 AIB 2 HB22 AIB 2 38.588 14.514 -12.836 16 HB23 AIB 2 HB23 AIB 2 39.329 13.658 -11.483 17 H GLN 3 H GLN 3 41.278 11.224 -12.230 18 HA GLN 3 HA GLN 3 42.908 11.052 -10.572 19 HB2 GLN 3 HB2 GLN 3 45.147 11.572 -11.552 20 HB3 GLN 3 HB3 GLN 3 44.119 10.605 -12.608 21 HG2 GLN 3 HG2 GLN 3 43.561 12.519 -13.954 22 HG3 GLN 3 HG3 GLN 3 44.318 13.622 -12.799 23 HE21 GLN 3 HE21 GLN 3 44.912 11.552 -15.534 24 HE22 GLN 3 HE22 GLN 3 46.590 11.792 -15.606 25 H GLY 4 H GLY 4 41.425 13.144 -9.774 26 HA2 GLY 4 HA2 GLY 4 42.911 14.560 -7.996 27 HA3 GLY 4 HA3 GLY 4 42.999 15.546 -9.454 28 H THR 5 H THR 5 40.214 14.261 -10.035 29 HA THR 5 HA THR 5 38.608 15.914 -8.200 30 HB THR 5 HB THR 5 37.868 17.293 -9.817 31 HG1 THR 5 HG1 THR 5 36.552 16.330 -11.108 32 HG21 THR 5 HG21 THR 5 39.948 15.924 -11.546 33 HG22 THR 5 HG22 THR 5 40.296 17.189 -10.366 34 HG23 THR 5 HG23 THR 5 39.299 17.548 -11.776 35 H PHE 6 H PHE 6 39.190 12.965 -9.532 36 HA PHE 6 HA PHE 6 36.386 12.128 -9.700 37 HB2 PHE 6 HB2 PHE 6 37.194 10.725 -11.245 38 HB3 PHE 6 HB3 PHE 6 38.837 11.270 -10.904 39 HD1 PHE 6 HD1 PHE 6 40.209 10.136 -9.171 40 HD2 PHE 6 HD2 PHE 6 36.334 8.675 -10.314 41 HE1 PHE 6 HE1 PHE 6 40.710 7.959 -8.091 42 HE2 PHE 6 HE2 PHE 6 36.836 6.499 -9.235 43 HZ PHE 6 HZ PHE 6 39.023 6.141 -8.125 44 H THR 7 H THR 7 38.730 12.461 -7.360 45 HA THR 7 HA THR 7 37.939 10.090 -5.829 46 HB THR 7 HB THR 7 39.760 10.575 -4.390 47 HG1 THR 7 HG1 THR 7 40.772 12.817 -5.241 48 HG21 THR 7 HG21 THR 7 40.405 9.792 -6.658 49 HG22 THR 7 HG22 THR 7 41.648 10.809 -5.929 50 HG23 THR 7 HG23 THR 7 40.581 11.471 -7.168 51 H SER 8 H SER 8 38.394 13.529 -4.975 52 HA SER 8 HA SER 8 36.654 13.439 -2.749 53 HB2 SER 8 HB2 SER 8 38.397 15.172 -3.071 54 HB3 SER 8 HB3 SER 8 37.465 15.839 -4.409 55 HG SER 8 HG SER 8 35.698 15.877 -2.726 56 H ASP 9 H ASP 9 34.900 12.227 -3.922 57 HA ASP 9 HA ASP 9 32.588 13.664 -4.165 58 HB2 ASP 9 HB2 ASP 9 33.036 14.925 -6.017 59 HB3 ASP 9 HB3 ASP 9 34.215 13.771 -6.647 60 H TYR 10 H TYR 10 34.482 10.929 -4.777 61 HA TYR 10 HA TYR 10 32.271 9.318 -5.806 62 HB2 TYR 10 HB2 TYR 10 34.973 9.212 -6.238 63 HB3 TYR 10 HB3 TYR 10 34.763 7.959 -5.015 64 HD1 TYR 10 HD1 TYR 10 32.070 6.942 -5.609 65 HD2 TYR 10 HD2 TYR 10 35.236 8.064 -8.278 66 HE1 TYR 10 HE1 TYR 10 31.152 5.408 -7.331 67 HE2 TYR 10 HE2 TYR 10 34.327 6.530 -10.002 68 HH TYR 10 HH TYR 10 31.668 4.335 -9.288 69 H SER 11 H SER 11 34.506 9.241 -3.023 70 HA SER 11 HA SER 11 33.395 7.161 -1.590 71 HB2 SER 11 HB2 SER 11 34.412 8.122 0.370 72 HB3 SER 11 HB3 SER 11 35.473 8.435 -1.000 73 HG SER 11 HG SER 11 34.067 10.476 -1.095 74 H LYS 12 H LYS 12 31.863 10.034 -2.457 75 HA LYS 12 HA LYS 12 29.713 9.514 -0.498 76 HB2 LYS 12 HB2 LYS 12 30.909 11.451 0.337 77 HB3 LYS 12 HB3 LYS 12 30.843 12.221 -1.249 78 HG2 LYS 12 HG2 LYS 12 28.606 12.743 -1.059 79 HG3 LYS 12 HG3 LYS 12 28.260 11.352 -0.032 80 HD2 LYS 12 HD2 LYS 12 28.119 13.487 1.230 81 HD3 LYS 12 HD3 LYS 12 29.388 12.435 1.857 82 HE2 LYS 12 HE2 LYS 12 31.068 13.827 1.174 83 HE3 LYS 12 HE3 LYS 12 30.214 14.297 -0.297 84 HZ1 LYS 12 HZ1 LYS 12 28.668 15.559 1.220 85 HZ2 LYS 12 HZ2 LYS 12 30.238 16.189 1.065 86 HZ3 LYS 12 HZ3 LYS 12 29.805 15.312 2.454 87 H LYS 13 H LYS 13 28.702 8.382 -2.246 88 HA LYS 13 HA LYS 13 26.888 9.986 -3.721 89 HB2 LYS 13 HB2 LYS 13 29.015 10.277 -5.075 90 HB3 LYS 13 HB3 LYS 13 28.942 8.550 -5.412 91 HG2 LYS 13 HG2 LYS 13 26.385 9.886 -5.933 92 HG3 LYS 13 HG3 LYS 13 27.701 10.546 -6.900 93 HD2 LYS 13 HD2 LYS 13 27.148 7.581 -6.652 94 HD3 LYS 13 HD3 LYS 13 26.498 8.584 -7.949 95 HE2 LYS 13 HE2 LYS 13 29.342 9.047 -7.633 96 HE3 LYS 13 HE3 LYS 13 29.013 7.335 -7.877 97 HZ1 LYS 13 HZ1 LYS 13 28.512 9.497 -9.780 98 H LEU 14 H LEU 14 28.601 6.877 -3.636 99 HA LEU 14 HA LEU 14 26.692 5.233 -4.791 100 HB2 LEU 14 HB2 LEU 14 27.833 3.974 -2.435 101 HB3 LEU 14 HB3 LEU 14 28.067 3.583 -4.139 102 HG LEU 14 HG LEU 14 29.511 5.782 -2.627 103 HD11 LEU 14 HD11 LEU 14 29.983 2.951 -2.885 104 HD12 LEU 14 HD12 LEU 14 30.920 4.149 -1.994 105 HD13 LEU 14 HD13 LEU 14 31.271 3.842 -3.694 106 HD21 LEU 14 HD21 LEU 14 30.777 5.069 -5.061 107 HD22 LEU 14 HD22 LEU 14 29.985 6.595 -4.680 108 HD23 LEU 14 HD23 LEU 14 29.070 5.293 -5.438 109 H ASP 15 H ASP 15 26.753 6.790 -1.693 110 HA ASP 15 HA ASP 15 24.650 5.242 -0.498 111 HB2 ASP 15 HB2 ASP 15 26.379 6.467 0.807 112 HB3 ASP 15 HB3 ASP 15 25.678 7.991 0.251 113 H AIB 16 H AIB 16 24.291 6.604 -3.165 114 HB11 AIB 16 HB11 AIB 16 21.225 6.525 -2.014 115 HB12 AIB 16 HB12 AIB 16 20.359 7.508 -3.191 116 HB13 AIB 16 HB13 AIB 16 21.079 8.267 -1.775 117 HB21 AIB 16 HB21 AIB 16 23.833 9.364 -3.478 118 HB22 AIB 16 HB22 AIB 16 22.391 9.698 -2.517 119 HB23 AIB 16 HB23 AIB 16 22.274 9.595 -4.273 120 H ARG 17 H ARG 17 23.905 5.922 -4.354 121 HA ARG 17 HA ARG 17 22.289 5.762 -6.823 122 HB2 ARG 17 HB2 ARG 17 25.029 6.586 -6.540 123 HB3 ARG 17 HB3 ARG 17 24.964 5.062 -7.427 124 HG2 ARG 17 HG2 ARG 17 24.778 6.962 -8.981 125 HG3 ARG 17 HG3 ARG 17 23.275 6.036 -8.959 126 HD2 ARG 17 HD2 ARG 17 23.334 8.146 -6.929 127 HD3 ARG 17 HD3 ARG 17 23.489 8.773 -8.567 128 HE ARG 17 HE ARG 17 21.125 7.687 -7.402 129 HH11 ARG 17 HH11 ARG 17 22.977 7.837 -10.320 130 HH12 ARG 17 HH12 ARG 17 21.611 7.627 -11.363 131 HH21 ARG 17 HH21 ARG 17 19.327 7.410 -8.761 132 HH22 ARG 17 HH22 ARG 17 19.543 7.384 -10.480 133 H ARG 18 H ARG 18 23.827 4.278 -4.193 134 HA ARG 18 HA ARG 18 23.363 1.590 -5.349 135 HB2 ARG 18 HB2 ARG 18 25.802 2.494 -4.584 136 HB3 ARG 18 HB3 ARG 18 25.203 1.886 -3.035 137 HG2 ARG 18 HG2 ARG 18 24.660 -0.281 -4.128 138 HG3 ARG 18 HG3 ARG 18 25.346 0.329 -5.633 139 HD2 ARG 18 HD2 ARG 18 27.412 -0.227 -4.948 140 HD3 ARG 18 HD3 ARG 18 27.227 0.786 -3.518 141 HE ARG 18 HE ARG 18 26.871 -2.097 -3.661 142 HH11 ARG 18 HH11 ARG 18 26.276 0.860 -1.963 143 HH12 ARG 18 HH12 ARG 18 26.026 0.090 -0.432 144 HH21 ARG 18 HH21 ARG 18 26.547 -3.112 -1.656 145 HH22 ARG 18 HH22 ARG 18 26.179 -2.158 -0.257 146 H ALA 19 H ALA 19 22.182 3.884 -3.503 147 HA ALA 19 HA ALA 19 21.095 2.069 -1.451 148 HB1 ALA 19 HB1 ALA 19 22.373 4.644 -1.275 149 HB2 ALA 19 HB2 ALA 19 21.877 3.554 0.027 150 HB3 ALA 19 HB3 ALA 19 20.728 4.722 -0.628 151 H GLN 20 H GLN 20 20.457 4.692 -3.729 152 HA GLN 20 HA GLN 20 17.664 4.904 -3.127 153 HB2 GLN 20 HB2 GLN 20 19.551 6.156 -4.917 154 HB3 GLN 20 HB3 GLN 20 18.090 5.716 -5.798 155 HG2 GLN 20 HG2 GLN 20 16.697 6.931 -4.257 156 HG3 GLN 20 HG3 GLN 20 18.047 7.199 -3.156 157 HE21 GLN 20 HE21 GLN 20 17.244 9.569 -3.597 158 HE22 GLN 20 HE22 GLN 20 17.966 10.366 -4.911 159 H ASP 21 H ASP 21 19.038 3.908 -6.251 160 HA ASP 21 HA ASP 21 16.846 2.489 -7.164 161 HB2 ASP 21 HB2 ASP 21 19.544 2.878 -7.967 162 HB3 ASP 21 HB3 ASP 21 19.224 1.141 -8.023 163 H PHE 22 H PHE 22 18.905 1.743 -4.582 164 HA PHE 22 HA PHE 22 18.424 -1.134 -4.676 165 HB2 PHE 22 HB2 PHE 22 20.628 0.019 -3.976 166 HB3 PHE 22 HB3 PHE 22 19.799 0.347 -2.449 167 HD1 PHE 22 HD1 PHE 22 20.339 -2.448 -4.875 168 HD2 PHE 22 HD2 PHE 22 19.903 -1.273 -0.770 169 HE1 PHE 22 HE1 PHE 22 20.735 -4.774 -4.170 170 HE2 PHE 22 HE2 PHE 22 20.302 -3.609 -0.059 171 HZ PHE 22 HZ PHE 22 20.724 -5.371 -1.759 172 H VAL 23 H VAL 23 18.241 1.173 -1.967 173 HA VAL 23 HA VAL 23 16.432 -0.270 -0.439 174 HB VAL 23 HB VAL 23 16.823 2.726 -0.561 175 HG11 VAL 23 HG11 VAL 23 15.206 0.927 1.195 176 HG12 VAL 23 HG12 VAL 23 14.871 2.576 0.666 177 HG13 VAL 23 HG13 VAL 23 16.043 2.283 1.950 178 HG21 VAL 23 HG21 VAL 23 18.862 1.407 -0.051 179 HG22 VAL 23 HG22 VAL 23 17.996 0.593 1.252 180 HG23 VAL 23 HG23 VAL 23 18.316 2.324 1.354 181 H GLN 24 H GLN 24 15.790 0.961 -3.447 182 HA GLN 24 HA GLN 24 13.071 1.821 -2.930 183 HB2 GLN 24 HB2 GLN 24 14.924 1.822 -5.224 184 HB3 GLN 24 HB3 GLN 24 13.239 1.509 -5.650 185 HG2 GLN 24 HG2 GLN 24 13.610 3.899 -5.736 186 HG3 GLN 24 HG3 GLN 24 12.593 3.561 -4.340 187 HE21 GLN 24 HE21 GLN 24 14.493 2.741 -2.420 188 HE22 GLN 24 HE22 GLN 24 15.578 4.009 -2.125 189 H TRP 25 H TRP 25 14.717 -1.118 -3.612 190 HA TRP 25 HA TRP 25 12.164 -2.436 -4.352 191 HB2 TRP 25 HB2 TRP 25 13.474 -3.462 -5.858 192 HB3 TRP 25 HB3 TRP 25 14.955 -2.878 -5.079 193 HD1 TRP 25 HD1 TRP 25 12.501 -5.753 -5.067 194 HE1 TRP 25 HE1 TRP 25 13.475 -7.683 -3.627 195 HE3 TRP 25 HE3 TRP 25 16.468 -3.369 -3.047 196 HZ2 TRP 25 HZ2 TRP 25 15.699 -8.095 -1.815 197 HZ3 TRP 25 HZ3 TRP 25 17.999 -4.488 -1.501 198 HH2 TRP 25 HH2 TRP 25 17.630 -6.862 -0.867 199 H LEU 26 H LEU 26 14.892 -2.419 -2.135 200 HA LEU 26 HA LEU 26 14.388 -4.696 -0.688 201 HB2 LEU 26 HB2 LEU 26 16.339 -3.147 -0.354 202 HB3 LEU 26 HB3 LEU 26 15.260 -2.065 0.517 203 HG LEU 26 HG LEU 26 14.699 -4.156 1.979 204 HD11 LEU 26 HD11 LEU 26 15.781 -5.895 0.687 205 HD12 LEU 26 HD12 LEU 26 16.697 -5.685 2.178 206 HD13 LEU 26 HD13 LEU 26 17.302 -4.999 0.675 207 HD21 LEU 26 HD21 LEU 26 17.421 -2.832 2.108 208 HD22 LEU 26 HD22 LEU 26 16.612 -3.647 3.447 209 HD23 LEU 26 HD23 LEU 26 15.924 -2.173 2.768 210 H MET 27 H MET 27 12.773 -1.579 -0.598 211 HA MET 27 HA MET 27 11.099 -2.424 1.657 212 HB2 MET 27 HB2 MET 27 10.354 -0.131 1.745 213 HB3 MET 27 HB3 MET 27 12.116 -0.140 1.606 214 HG2 MET 27 HG2 MET 27 11.806 1.280 -0.134 215 HG3 MET 27 HG3 MET 27 11.318 -0.160 -1.036 216 HE1 MET 27 HE1 MET 27 8.981 3.251 -1.381 217 HE2 MET 27 HE2 MET 27 10.406 2.477 -2.071 218 HE3 MET 27 HE3 MET 27 10.514 3.263 -0.499 219 H ASN 28 H ASN 28 11.000 -3.166 -1.438 220 HA ASN 28 HA ASN 28 8.175 -2.500 -1.899 221 HB2 ASN 28 HB2 ASN 28 10.301 -3.695 -3.686 222 HB3 ASN 28 HB3 ASN 28 8.611 -3.536 -4.159 223 HD21 ASN 28 HD21 ASN 28 9.779 -2.071 -5.875 224 HD22 ASN 28 HD22 ASN 28 9.967 -0.438 -5.453 225 H THR 29 H THR 29 10.198 -5.407 -2.377 226 HA THR 29 HA THR 29 7.865 -7.056 -1.655 227 HB THR 29 HB THR 29 8.580 -8.563 -3.178 228 HG1 THR 29 HG1 THR 29 11.277 -8.258 -3.058 229 HG21 THR 29 HG21 THR 29 8.835 -6.368 -4.356 230 HG22 THR 29 HG22 THR 29 9.887 -7.630 -4.997 231 HG23 THR 29 HG23 THR 29 10.548 -6.387 -3.934 232 HN1 NH2 30 HN1 NH2 30 11.128 -6.249 -0.593 233 HN2 NH2 30 HN2 NH2 30 11.134 -7.278 0.756 234 H GGL 101 H1 GGL 101 29.057 9.342 -11.026 235 HA GGL 101 HA GGL 101 31.634 9.011 -9.942 236 HB2 GGL 101 HB2 GGL 101 30.517 7.069 -9.609 237 HB3 GGL 101 HB3 GGL 101 31.240 6.635 -11.154 238 HG2 GGL 101 HG2 GGL 101 29.127 7.830 -12.142 239 HG3 GGL 101 HG3 GGL 101 29.014 6.170 -11.576 240 H GGL 102 H GGL 102 26.071 14.300 -11.564 241 HA GGL 102 HA GGL 102 27.844 13.636 -9.330 242 HB2 GGL 102 HB2 GGL 102 28.134 12.550 -11.992 243 HB3 GGL 102 HB3 GGL 102 29.514 13.572 -11.587 244 HG2 GGL 102 HG2 GGL 102 28.435 11.306 -9.887 245 HG3 GGL 102 HG3 GGL 102 29.794 12.343 -9.459 246 H21 PLM 103 H21 PLM 103 23.592 12.102 -10.312 247 H22 PLM 103 H22 PLM 103 23.880 13.460 -11.400 248 H31 PLM 103 H31 PLM 103 23.807 11.604 -12.850 249 H32 PLM 103 H32 PLM 103 25.535 11.861 -12.604 250 H41 PLM 103 H41 PLM 103 23.815 9.881 -11.076 251 H42 PLM 103 H42 PLM 103 25.546 10.133 -10.844 252 H51 PLM 103 H51 PLM 103 24.523 9.500 -13.594 253 H52 PLM 103 H52 PLM 103 26.099 9.154 -12.884 254 H61 PLM 103 H61 PLM 103 23.474 7.750 -12.350 255 H62 PLM 103 H62 PLM 103 24.877 7.561 -11.299 256 H71 PLM 103 H71 PLM 103 24.820 6.980 -14.279 257 H72 PLM 103 H72 PLM 103 26.212 6.773 -13.216 258 H81 PLM 103 H81 PLM 103 23.729 5.134 -13.437 259 H82 PLM 103 H82 PLM 103 24.423 5.327 -11.829 260 H91 PLM 103 H91 PLM 103 25.227 3.354 -13.409 261 H92 PLM 103 H92 PLM 103 26.235 4.615 -14.112 262 HA1 PLM 103 HA1 PLM 103 27.597 3.722 -12.408 263 HA2 PLM 103 HA2 PLM 103 26.904 5.160 -11.668 264 HB1 PLM 103 HB1 PLM 103 26.550 2.343 -10.947 265 HB2 PLM 103 HB2 PLM 103 25.018 3.194 -11.113 266 HC1 PLM 103 HC1 PLM 103 25.849 4.970 -9.597 267 HC2 PLM 103 HC2 PLM 103 25.844 3.394 -8.813 268 HD1 PLM 103 HD1 PLM 103 28.339 3.335 -9.822 269 HD2 PLM 103 HD2 PLM 103 28.149 5.077 -9.686 270 HE1 PLM 103 HE1 PLM 103 27.409 4.727 -7.289 271 HE2 PLM 103 HE2 PLM 103 29.094 4.322 -7.606 272 HF1 PLM 103 HF1 PLM 103 27.011 2.630 -6.591 273 HF2 PLM 103 HF2 PLM 103 27.560 1.982 -8.133 274 HG1 PLM 103 HG1 PLM 103 28.880 1.129 -6.179 275 HG2 PLM 103 HG2 PLM 103 29.866 1.970 -7.374 276 HG3 PLM 103 HG3 PLM 103 29.417 2.780 -5.874 Start of MODEL 9 1 H1 HIS 1 H1 HIS 1 42.639 17.704 -13.000 2 H2 HIS 1 H2 HIS 1 40.972 17.526 -13.283 3 H3 HIS 1 H3 HIS 1 41.973 18.198 -14.480 4 HA HIS 1 HA HIS 1 41.733 16.077 -15.272 5 HB2 HIS 1 HB2 HIS 1 44.088 15.928 -13.363 6 HB3 HIS 1 HB3 HIS 1 43.841 14.895 -14.777 7 HD2 HIS 1 HD2 HIS 1 45.337 15.894 -16.857 8 HE1 HIS 1 HE1 HIS 1 44.972 20.005 -15.970 9 HE2 HIS 1 HE2 HIS 1 45.962 18.321 -17.592 10 H AIB 2 H AIB 2 40.318 14.500 -14.893 11 HB11 AIB 2 HB11 AIB 2 39.110 11.370 -13.711 12 HB12 AIB 2 HB12 AIB 2 39.743 12.289 -15.076 13 HB13 AIB 2 HB13 AIB 2 38.170 12.698 -14.393 14 HB21 AIB 2 HB21 AIB 2 38.547 14.966 -12.699 15 HB22 AIB 2 HB22 AIB 2 39.102 14.037 -11.307 16 HB23 AIB 2 HB23 AIB 2 37.858 13.377 -12.368 17 H GLN 3 H GLN 3 42.236 12.642 -13.712 18 HA GLN 3 HA GLN 3 42.564 10.693 -11.652 19 HB2 GLN 3 HB2 GLN 3 45.035 10.925 -12.322 20 HB3 GLN 3 HB3 GLN 3 43.912 10.386 -13.572 21 HG2 GLN 3 HG2 GLN 3 43.875 12.507 -14.620 22 HG3 GLN 3 HG3 GLN 3 44.568 13.308 -13.207 23 HE21 GLN 3 HE21 GLN 3 46.800 13.641 -13.273 24 HE22 GLN 3 HE22 GLN 3 47.867 12.831 -14.314 25 H GLY 4 H GLY 4 41.655 13.105 -10.523 26 HA2 GLY 4 HA2 GLY 4 43.499 13.424 -8.383 27 HA3 GLY 4 HA3 GLY 4 43.530 14.829 -9.446 28 H THR 5 H THR 5 40.509 13.714 -9.832 29 HA THR 5 HA THR 5 39.412 14.998 -7.423 30 HB THR 5 HB THR 5 38.340 16.666 -8.515 31 HG1 THR 5 HG1 THR 5 37.112 15.042 -9.689 32 HG21 THR 5 HG21 THR 5 40.300 15.945 -10.709 33 HG22 THR 5 HG22 THR 5 40.721 16.830 -9.246 34 HG23 THR 5 HG23 THR 5 39.597 17.532 -10.409 35 H PHE 6 H PHE 6 39.087 12.731 -10.050 36 HA PHE 6 HA PHE 6 36.368 12.050 -9.690 37 HB2 PHE 6 HB2 PHE 6 36.764 10.590 -11.354 38 HB3 PHE 6 HB3 PHE 6 38.410 11.212 -11.384 39 HD1 PHE 6 HD1 PHE 6 40.238 10.018 -10.264 40 HD2 PHE 6 HD2 PHE 6 36.225 8.487 -10.242 41 HE1 PHE 6 HE1 PHE 6 41.083 7.818 -9.493 42 HE2 PHE 6 HE2 PHE 6 37.069 6.287 -9.471 43 HZ PHE 6 HZ PHE 6 39.497 5.952 -9.096 44 H THR 7 H THR 7 39.042 11.614 -7.673 45 HA THR 7 HA THR 7 37.870 9.288 -6.309 46 HB THR 7 HB THR 7 40.039 8.740 -6.110 47 HG1 THR 7 HG1 THR 7 40.941 9.520 -4.332 48 HG21 THR 7 HG21 THR 7 40.609 10.245 -7.943 49 HG22 THR 7 HG22 THR 7 41.858 10.340 -6.701 50 HG23 THR 7 HG23 THR 7 40.650 11.617 -6.837 51 H SER 8 H SER 8 38.955 12.611 -5.658 52 HA SER 8 HA SER 8 38.043 12.634 -2.951 53 HB2 SER 8 HB2 SER 8 39.416 14.422 -4.738 54 HB3 SER 8 HB3 SER 8 38.108 15.282 -3.929 55 HG SER 8 HG SER 8 39.270 15.226 -2.188 56 H ASP 9 H ASP 9 36.208 12.094 -5.451 57 HA ASP 9 HA ASP 9 33.937 13.611 -4.354 58 HB2 ASP 9 HB2 ASP 9 34.880 13.570 -7.206 59 HB3 ASP 9 HB3 ASP 9 33.168 13.793 -6.833 60 H TYR 10 H TYR 10 35.139 10.717 -4.653 61 HA TYR 10 HA TYR 10 32.739 9.411 -5.750 62 HB2 TYR 10 HB2 TYR 10 35.392 8.857 -6.152 63 HB3 TYR 10 HB3 TYR 10 34.977 7.707 -4.883 64 HD1 TYR 10 HD1 TYR 10 32.192 7.050 -5.415 65 HD2 TYR 10 HD2 TYR 10 35.416 7.683 -8.182 66 HE1 TYR 10 HE1 TYR 10 31.036 5.627 -7.082 67 HE2 TYR 10 HE2 TYR 10 34.259 6.259 -9.851 68 HH TYR 10 HH TYR 10 32.142 4.144 -9.311 69 H SER 11 H SER 11 32.569 10.739 -3.244 70 HA SER 11 HA SER 11 32.232 8.444 -1.400 71 HB2 SER 11 HB2 SER 11 33.520 9.604 0.029 72 HB3 SER 11 HB3 SER 11 33.539 11.006 -1.036 73 HG SER 11 HG SER 11 32.429 11.023 1.195 74 H LYS 12 H LYS 12 30.826 11.262 -2.880 75 HA LYS 12 HA LYS 12 28.296 10.785 -1.425 76 HB2 LYS 12 HB2 LYS 12 29.263 13.259 -2.878 77 HB3 LYS 12 HB3 LYS 12 27.697 13.091 -2.086 78 HG2 LYS 12 HG2 LYS 12 29.809 12.288 -0.282 79 HG3 LYS 12 HG3 LYS 12 30.122 13.911 -0.898 80 HD2 LYS 12 HD2 LYS 12 27.941 14.675 -0.189 81 HD3 LYS 12 HD3 LYS 12 27.460 13.036 0.249 82 HE2 LYS 12 HE2 LYS 12 28.501 14.849 2.014 83 HE3 LYS 12 HE3 LYS 12 28.583 13.097 2.227 84 HZ1 LYS 12 HZ1 LYS 12 30.636 14.591 0.708 85 HZ2 LYS 12 HZ2 LYS 12 30.735 13.024 1.357 86 HZ3 LYS 12 HZ3 LYS 12 30.746 14.375 2.387 87 H LYS 13 H LYS 13 28.049 8.947 -2.982 88 HA LYS 13 HA LYS 13 26.335 9.756 -5.134 89 HB2 LYS 13 HB2 LYS 13 28.900 9.785 -5.908 90 HB3 LYS 13 HB3 LYS 13 28.616 8.060 -6.083 91 HG2 LYS 13 HG2 LYS 13 26.670 10.025 -7.304 92 HG3 LYS 13 HG3 LYS 13 28.181 9.661 -8.119 93 HD2 LYS 13 HD2 LYS 13 26.750 7.264 -7.180 94 HD3 LYS 13 HD3 LYS 13 25.875 8.199 -8.390 95 HE2 LYS 13 HE2 LYS 13 27.330 6.516 -9.452 96 HE3 LYS 13 HE3 LYS 13 27.837 8.151 -9.869 97 HZ1 LYS 13 HZ1 LYS 13 29.167 6.667 -7.680 98 H LEU 14 H LEU 14 28.329 7.036 -3.964 99 HA LEU 14 HA LEU 14 26.599 4.980 -4.765 100 HB2 LEU 14 HB2 LEU 14 27.794 4.240 -2.281 101 HB3 LEU 14 HB3 LEU 14 28.248 3.734 -3.905 102 HG LEU 14 HG LEU 14 29.174 6.306 -2.591 103 HD11 LEU 14 HD11 LEU 14 31.320 4.535 -3.086 104 HD12 LEU 14 HD12 LEU 14 30.068 3.579 -2.292 105 HD13 LEU 14 HD13 LEU 14 30.688 5.037 -1.517 106 HD21 LEU 14 HD21 LEU 14 29.995 6.850 -4.623 107 HD22 LEU 14 HD22 LEU 14 29.100 5.486 -5.294 108 HD23 LEU 14 HD23 LEU 14 30.773 5.273 -4.776 109 H ASP 15 H ASP 15 26.741 6.867 -1.769 110 HA ASP 15 HA ASP 15 24.524 5.496 -0.557 111 HB2 ASP 15 HB2 ASP 15 26.399 6.765 0.650 112 HB3 ASP 15 HB3 ASP 15 25.539 8.240 0.193 113 H AIB 16 H AIB 16 23.678 6.073 -3.006 114 HB11 AIB 16 HB11 AIB 16 21.061 7.835 -1.454 115 HB12 AIB 16 HB12 AIB 16 20.597 6.383 -2.341 116 HB13 AIB 16 HB13 AIB 16 20.091 7.971 -2.920 117 HB21 AIB 16 HB21 AIB 16 22.369 9.541 -2.582 118 HB22 AIB 16 HB22 AIB 16 21.846 9.402 -4.260 119 HB23 AIB 16 HB23 AIB 16 23.528 9.082 -3.830 120 H ARG 17 H ARG 17 23.864 6.371 -4.726 121 HA ARG 17 HA ARG 17 21.952 5.773 -6.897 122 HB2 ARG 17 HB2 ARG 17 24.438 6.999 -6.983 123 HB3 ARG 17 HB3 ARG 17 24.781 5.342 -7.477 124 HG2 ARG 17 HG2 ARG 17 22.630 7.114 -8.684 125 HG3 ARG 17 HG3 ARG 17 24.199 6.785 -9.415 126 HD2 ARG 17 HD2 ARG 17 23.452 4.258 -9.055 127 HD3 ARG 17 HD3 ARG 17 21.842 4.970 -9.088 128 HE ARG 17 HE ARG 17 23.611 5.745 -11.273 129 HH11 ARG 17 HH11 ARG 17 21.137 3.641 -10.070 130 HH12 ARG 17 HH12 ARG 17 20.569 3.188 -11.643 131 HH21 ARG 17 HH21 ARG 17 22.872 5.152 -13.335 132 HH22 ARG 17 HH22 ARG 17 21.550 4.042 -13.490 133 H ARG 18 H ARG 18 23.829 4.494 -4.379 134 HA ARG 18 HA ARG 18 23.484 1.740 -5.415 135 HB2 ARG 18 HB2 ARG 18 25.889 2.749 -4.929 136 HB3 ARG 18 HB3 ARG 18 25.452 2.404 -3.252 137 HG2 ARG 18 HG2 ARG 18 24.780 0.065 -4.107 138 HG3 ARG 18 HG3 ARG 18 25.691 0.475 -5.561 139 HD2 ARG 18 HD2 ARG 18 27.235 -0.651 -4.132 140 HD3 ARG 18 HD3 ARG 18 27.635 1.062 -4.020 141 HE ARG 18 HE ARG 18 27.071 0.962 -1.780 142 HH11 ARG 18 HH11 ARG 18 25.575 -1.626 -3.524 143 HH12 ARG 18 HH12 ARG 18 24.903 -2.372 -2.113 144 HH21 ARG 18 HH21 ARG 18 26.195 -0.012 0.075 145 HH22 ARG 18 HH22 ARG 18 25.255 -1.459 -0.075 146 H ALA 19 H ALA 19 22.177 3.974 -3.617 147 HA ALA 19 HA ALA 19 21.388 2.180 -1.412 148 HB1 ALA 19 HB1 ALA 19 22.357 4.918 -1.477 149 HB2 ALA 19 HB2 ALA 19 22.174 3.824 -0.099 150 HB3 ALA 19 HB3 ALA 19 20.799 4.785 -0.651 151 H GLN 20 H GLN 20 20.369 4.739 -3.651 152 HA GLN 20 HA GLN 20 17.621 4.686 -2.917 153 HB2 GLN 20 HB2 GLN 20 18.667 6.567 -4.146 154 HB3 GLN 20 HB3 GLN 20 18.866 5.519 -5.550 155 HG2 GLN 20 HG2 GLN 20 16.152 5.853 -4.295 156 HG3 GLN 20 HG3 GLN 20 16.765 7.069 -5.413 157 HE21 GLN 20 HE21 GLN 20 14.673 4.656 -5.537 158 HE22 GLN 20 HE22 GLN 20 15.028 3.972 -7.048 159 H ASP 21 H ASP 21 18.909 3.706 -6.087 160 HA ASP 21 HA ASP 21 16.828 2.166 -6.956 161 HB2 ASP 21 HB2 ASP 21 18.282 1.943 -8.644 162 HB3 ASP 21 HB3 ASP 21 19.621 2.430 -7.598 163 H PHE 22 H PHE 22 19.263 1.333 -4.576 164 HA PHE 22 HA PHE 22 18.565 -1.450 -4.417 165 HB2 PHE 22 HB2 PHE 22 20.793 -0.310 -3.773 166 HB3 PHE 22 HB3 PHE 22 19.978 0.096 -2.259 167 HD1 PHE 22 HD1 PHE 22 20.459 -2.807 -4.570 168 HD2 PHE 22 HD2 PHE 22 20.043 -1.458 -0.516 169 HE1 PHE 22 HE1 PHE 22 20.802 -5.113 -3.771 170 HE2 PHE 22 HE2 PHE 22 20.394 -3.773 0.288 171 HZ PHE 22 HZ PHE 22 20.777 -5.609 -1.337 172 H VAL 23 H VAL 23 18.436 0.969 -1.802 173 HA VAL 23 HA VAL 23 16.556 -0.397 -0.256 174 HB VAL 23 HB VAL 23 17.096 2.575 -0.382 175 HG11 VAL 23 HG11 VAL 23 15.169 2.530 0.881 176 HG12 VAL 23 HG12 VAL 23 16.330 2.131 2.147 177 HG13 VAL 23 HG13 VAL 23 15.403 0.850 1.366 178 HG21 VAL 23 HG21 VAL 23 19.009 2.123 0.722 179 HG22 VAL 23 HG22 VAL 23 18.724 0.409 0.415 180 HG23 VAL 23 HG23 VAL 23 18.139 1.147 1.905 181 H GLN 24 H GLN 24 16.026 0.777 -3.275 182 HA GLN 24 HA GLN 24 13.362 1.835 -2.833 183 HB2 GLN 24 HB2 GLN 24 14.437 2.956 -4.576 184 HB3 GLN 24 HB3 GLN 24 15.159 1.479 -5.215 185 HG2 GLN 24 HG2 GLN 24 12.169 1.758 -5.196 186 HG3 GLN 24 HG3 GLN 24 13.102 2.588 -6.435 187 HE21 GLN 24 HE21 GLN 24 14.693 -0.273 -5.412 188 HE22 GLN 24 HE22 GLN 24 14.190 -1.275 -6.686 189 H TRP 25 H TRP 25 14.880 -1.179 -3.794 190 HA TRP 25 HA TRP 25 12.227 -2.323 -4.440 191 HB2 TRP 25 HB2 TRP 25 13.424 -3.345 -6.037 192 HB3 TRP 25 HB3 TRP 25 14.961 -2.875 -5.289 193 HD1 TRP 25 HD1 TRP 25 12.369 -5.624 -5.329 194 HE1 TRP 25 HE1 TRP 25 13.292 -7.668 -4.020 195 HE3 TRP 25 HE3 TRP 25 16.507 -3.537 -3.334 196 HZ2 TRP 25 HZ2 TRP 25 15.551 -8.278 -2.307 197 HZ3 TRP 25 HZ3 TRP 25 18.031 -4.798 -1.896 198 HH2 TRP 25 HH2 TRP 25 17.568 -7.184 -1.367 199 H LEU 26 H LEU 26 15.008 -2.565 -2.312 200 HA LEU 26 HA LEU 26 14.433 -4.890 -0.976 201 HB2 LEU 26 HB2 LEU 26 16.460 -3.449 -0.619 202 HB3 LEU 26 HB3 LEU 26 15.456 -2.373 0.344 203 HG LEU 26 HG LEU 26 14.841 -4.513 1.706 204 HD11 LEU 26 HD11 LEU 26 15.796 -6.228 0.292 205 HD12 LEU 26 HD12 LEU 26 16.772 -6.142 1.757 206 HD13 LEU 26 HD13 LEU 26 17.357 -5.404 0.270 207 HD21 LEU 26 HD21 LEU 26 17.631 -3.334 1.821 208 HD22 LEU 26 HD22 LEU 26 16.822 -4.183 3.137 209 HD23 LEU 26 HD23 LEU 26 16.190 -2.639 2.563 210 H MET 27 H MET 27 12.946 -1.720 -0.698 211 HA MET 27 HA MET 27 11.255 -2.653 1.525 212 HB2 MET 27 HB2 MET 27 10.687 -0.353 1.880 213 HB3 MET 27 HB3 MET 27 12.436 -0.425 1.642 214 HG2 MET 27 HG2 MET 27 12.045 1.225 0.114 215 HG3 MET 27 HG3 MET 27 11.591 -0.125 -0.932 216 HE1 MET 27 HE1 MET 27 10.884 1.950 -1.959 217 HE2 MET 27 HE2 MET 27 9.852 3.162 -1.206 218 HE3 MET 27 HE3 MET 27 9.142 1.947 -2.264 219 H ASN 28 H ASN 28 11.131 -3.043 -1.639 220 HA ASN 28 HA ASN 28 8.403 -2.106 -2.107 221 HB2 ASN 28 HB2 ASN 28 9.975 -1.886 -3.944 222 HB3 ASN 28 HB3 ASN 28 10.349 -3.607 -3.873 223 HD21 ASN 28 HD21 ASN 28 9.332 -4.658 -5.578 224 HD22 ASN 28 HD22 ASN 28 7.762 -4.325 -6.129 225 H THR 29 H THR 29 10.107 -5.237 -2.388 226 HA THR 29 HA THR 29 7.536 -6.601 -1.934 227 HB THR 29 HB THR 29 8.278 -7.896 -3.612 228 HG1 THR 29 HG1 THR 29 10.102 -9.295 -3.017 229 HG21 THR 29 HG21 THR 29 10.587 -7.664 -4.519 230 HG22 THR 29 HG22 THR 29 10.990 -6.622 -3.154 231 HG23 THR 29 HG23 THR 29 9.777 -6.108 -4.327 232 HN1 NH2 30 HN1 NH2 30 10.676 -6.070 -0.439 233 HN2 NH2 30 HN2 NH2 30 10.398 -7.057 0.915 234 H GGL 101 H1 GGL 101 31.486 12.888 -10.106 235 HA GGL 101 HA GGL 101 31.642 11.032 -7.918 236 HB2 GGL 101 HB2 GGL 101 31.371 9.585 -10.495 237 HB3 GGL 101 HB3 GGL 101 29.881 10.202 -9.780 238 HG2 GGL 101 HG2 GGL 101 31.924 8.476 -8.348 239 HG3 GGL 101 HG3 GGL 101 30.405 9.057 -7.670 240 H GGL 102 H GGL 102 26.928 12.821 -12.579 241 HA GGL 102 HA GGL 102 29.459 12.087 -11.255 242 HB2 GGL 102 HB2 GGL 102 28.860 14.539 -11.444 243 HB3 GGL 102 HB3 GGL 102 27.470 14.218 -10.418 244 HG2 GGL 102 HG2 GGL 102 30.195 14.735 -9.649 245 HG3 GGL 102 HG3 GGL 102 28.780 14.554 -8.624 246 H21 PLM 103 H21 PLM 103 26.822 10.307 -13.397 247 H22 PLM 103 H22 PLM 103 27.165 10.910 -15.017 248 H31 PLM 103 H31 PLM 103 28.008 8.629 -14.814 249 H32 PLM 103 H32 PLM 103 29.371 9.742 -14.942 250 H41 PLM 103 H41 PLM 103 28.278 8.858 -12.265 251 H42 PLM 103 H42 PLM 103 29.839 9.604 -12.614 252 H51 PLM 103 H51 PLM 103 30.101 7.448 -14.170 253 H52 PLM 103 H52 PLM 103 30.503 7.394 -12.453 254 H61 PLM 103 H61 PLM 103 27.689 6.816 -13.334 255 H62 PLM 103 H62 PLM 103 28.540 6.255 -11.895 256 H71 PLM 103 H71 PLM 103 28.287 4.421 -13.521 257 H72 PLM 103 H72 PLM 103 29.115 5.386 -14.746 258 H81 PLM 103 H81 PLM 103 30.531 5.040 -12.151 259 H82 PLM 103 H82 PLM 103 31.177 5.072 -13.791 260 H91 PLM 103 H91 PLM 103 29.911 2.802 -14.068 261 H92 PLM 103 H92 PLM 103 31.440 2.819 -13.189 262 HA1 PLM 103 HA1 PLM 103 29.017 3.357 -11.563 263 HA2 PLM 103 HA2 PLM 103 29.164 1.719 -12.198 264 HB1 PLM 103 HB1 PLM 103 31.419 3.125 -10.749 265 HB2 PLM 103 HB2 PLM 103 31.302 1.413 -11.155 266 HC1 PLM 103 HC1 PLM 103 29.061 1.595 -9.723 267 HC2 PLM 103 HC2 PLM 103 30.621 1.329 -8.947 268 HD1 PLM 103 HD1 PLM 103 30.762 3.507 -8.165 269 HD2 PLM 103 HD2 PLM 103 29.754 4.152 -9.457 270 HE1 PLM 103 HE1 PLM 103 28.729 4.006 -7.076 271 HE2 PLM 103 HE2 PLM 103 28.624 2.272 -7.379 272 HF1 PLM 103 HF1 PLM 103 26.966 4.444 -8.424 273 HF2 PLM 103 HF2 PLM 103 27.584 3.402 -9.704 274 HG1 PLM 103 HG1 PLM 103 25.378 2.667 -8.670 275 HG2 PLM 103 HG2 PLM 103 26.649 1.444 -8.689 276 HG3 PLM 103 HG3 PLM 103 26.284 2.316 -7.199 Start of MODEL 10 1 H1 HIS 1 H1 HIS 1 37.550 0.352 1.640 2 H2 HIS 1 H2 HIS 1 36.984 1.887 2.098 3 H3 HIS 1 H3 HIS 1 36.686 0.539 3.088 4 HA HIS 1 HA HIS 1 38.632 0.710 4.114 5 HB2 HIS 1 HB2 HIS 1 39.442 0.236 1.447 6 HB3 HIS 1 HB3 HIS 1 40.429 1.583 2.028 7 HD2 HIS 1 HD2 HIS 1 42.043 0.954 4.344 8 HE1 HIS 1 HE1 HIS 1 41.471 -3.219 4.046 9 HE2 HIS 1 HE2 HIS 1 42.823 -1.394 5.181 10 H AIB 2 H AIB 2 40.470 2.422 4.473 11 HB11 AIB 2 HB11 AIB 2 40.230 6.341 3.353 12 HB12 AIB 2 HB12 AIB 2 39.729 4.948 2.397 13 HB13 AIB 2 HB13 AIB 2 41.413 5.119 2.889 14 HB21 AIB 2 HB21 AIB 2 42.162 4.953 4.824 15 HB22 AIB 2 HB22 AIB 2 41.524 3.644 5.817 16 HB23 AIB 2 HB23 AIB 2 41.100 5.317 6.183 17 H GLN 3 H GLN 3 38.515 3.401 6.135 18 HA GLN 3 HA GLN 3 36.213 4.877 6.051 19 HB2 GLN 3 HB2 GLN 3 35.859 4.265 8.424 20 HB3 GLN 3 HB3 GLN 3 36.438 2.899 7.468 21 HG2 GLN 3 HG2 GLN 3 38.082 2.669 8.995 22 HG3 GLN 3 HG3 GLN 3 38.772 4.159 8.344 23 HE21 GLN 3 HE21 GLN 3 38.272 2.919 11.244 24 HE22 GLN 3 HE22 GLN 3 37.717 4.271 12.106 25 H GLY 4 H GLY 4 39.306 5.871 7.180 26 HA2 GLY 4 HA2 GLY 4 38.284 8.168 8.663 27 HA3 GLY 4 HA3 GLY 4 39.977 7.719 8.459 28 H THR 5 H THR 5 39.812 7.409 5.586 29 HA THR 5 HA THR 5 39.657 10.257 4.826 30 HB THR 5 HB THR 5 41.649 10.040 3.821 31 HG1 THR 5 HG1 THR 5 41.601 8.941 2.053 32 HG21 THR 5 HG21 THR 5 41.981 8.691 5.912 33 HG22 THR 5 HG22 THR 5 43.066 8.237 4.598 34 HG23 THR 5 HG23 THR 5 41.661 7.239 4.968 35 H PHE 6 H PHE 6 37.534 8.095 4.789 36 HA PHE 6 HA PHE 6 37.030 7.705 1.953 37 HB2 PHE 6 HB2 PHE 6 36.347 6.257 4.163 38 HB3 PHE 6 HB3 PHE 6 34.860 7.162 3.891 39 HD1 PHE 6 HD1 PHE 6 34.977 7.424 0.885 40 HD2 PHE 6 HD2 PHE 6 35.733 4.077 3.471 41 HE1 PHE 6 HE1 PHE 6 34.380 5.870 -0.951 42 HE2 PHE 6 HE2 PHE 6 35.135 2.525 1.634 43 HZ PHE 6 HZ PHE 6 34.457 3.420 -0.577 44 H THR 7 H THR 7 35.357 9.292 4.671 45 HA THR 7 HA THR 7 33.274 10.516 3.408 46 HB THR 7 HB THR 7 33.077 11.775 5.295 47 HG1 THR 7 HG1 THR 7 35.701 12.424 4.670 48 HG21 THR 7 HG21 THR 7 34.030 10.683 7.160 49 HG22 THR 7 HG22 THR 7 35.501 10.273 6.278 50 HG23 THR 7 HG23 THR 7 33.992 9.436 5.913 51 H SER 8 H SER 8 33.062 12.915 2.889 52 HA SER 8 HA SER 8 33.706 14.804 1.712 53 HB2 SER 8 HB2 SER 8 36.022 14.198 2.923 54 HB3 SER 8 HB3 SER 8 36.483 13.834 1.262 55 HG SER 8 HG SER 8 35.353 16.253 2.240 56 H ASP 9 H ASP 9 34.331 11.572 0.758 57 HA ASP 9 HA ASP 9 33.864 12.309 -2.060 58 HB2 ASP 9 HB2 ASP 9 35.934 10.358 -1.016 59 HB3 ASP 9 HB3 ASP 9 35.457 10.487 -2.713 60 H TYR 10 H TYR 10 32.750 10.776 0.573 61 HA TYR 10 HA TYR 10 31.189 8.868 -1.033 62 HB2 TYR 10 HB2 TYR 10 32.858 7.441 -0.113 63 HB3 TYR 10 HB3 TYR 10 32.777 8.235 1.458 64 HD1 TYR 10 HD1 TYR 10 30.530 6.476 -0.972 65 HD2 TYR 10 HD2 TYR 10 31.517 7.212 3.140 66 HE1 TYR 10 HE1 TYR 10 28.768 4.878 -0.270 67 HE2 TYR 10 HE2 TYR 10 29.762 5.612 3.847 68 HH TYR 10 HH TYR 10 27.938 4.452 3.139 69 H SER 11 H SER 11 29.288 8.042 0.261 70 HA SER 11 HA SER 11 27.510 8.342 1.716 71 HB2 SER 11 HB2 SER 11 27.772 9.527 3.663 72 HB3 SER 11 HB3 SER 11 29.469 9.348 3.227 73 HG SER 11 HG SER 11 27.764 11.550 2.657 74 H LYS 12 H LYS 12 28.458 10.068 -0.796 75 HA LYS 12 HA LYS 12 26.089 11.840 -0.732 76 HB2 LYS 12 HB2 LYS 12 28.795 12.404 -1.969 77 HB3 LYS 12 HB3 LYS 12 27.368 13.424 -2.151 78 HG2 LYS 12 HG2 LYS 12 28.218 12.687 0.619 79 HG3 LYS 12 HG3 LYS 12 29.163 13.900 -0.242 80 HD2 LYS 12 HD2 LYS 12 26.176 14.138 -0.258 81 HD3 LYS 12 HD3 LYS 12 27.054 14.613 1.197 82 HE2 LYS 12 HE2 LYS 12 28.218 16.321 0.097 83 HE3 LYS 12 HE3 LYS 12 27.965 15.600 -1.495 84 HZ1 LYS 12 HZ1 LYS 12 25.837 16.787 0.204 85 HZ2 LYS 12 HZ2 LYS 12 25.633 16.143 -1.355 86 HZ3 LYS 12 HZ3 LYS 12 26.560 17.548 -1.129 87 H LYS 13 H LYS 13 28.180 9.709 -2.573 88 HA LYS 13 HA LYS 13 26.372 9.910 -4.890 89 HB2 LYS 13 HB2 LYS 13 28.818 10.238 -5.267 90 HB3 LYS 13 HB3 LYS 13 29.093 8.595 -4.707 91 HG2 LYS 13 HG2 LYS 13 29.006 8.584 -7.139 92 HG3 LYS 13 HG3 LYS 13 27.578 7.763 -6.518 93 HD2 LYS 13 HD2 LYS 13 26.157 9.364 -7.304 94 HD3 LYS 13 HD3 LYS 13 27.259 10.682 -6.910 95 HE2 LYS 13 HE2 LYS 13 26.990 10.474 -9.344 96 HE3 LYS 13 HE3 LYS 13 28.646 10.117 -8.866 97 HZ1 LYS 13 HZ1 LYS 13 27.514 7.661 -8.889 98 H LEU 14 H LEU 14 28.358 7.095 -4.210 99 HA LEU 14 HA LEU 14 26.574 5.165 -4.856 100 HB2 LEU 14 HB2 LEU 14 27.939 4.300 -2.461 101 HB3 LEU 14 HB3 LEU 14 28.166 3.774 -4.126 102 HG LEU 14 HG LEU 14 29.373 6.307 -2.971 103 HD11 LEU 14 HD11 LEU 14 31.446 5.103 -2.798 104 HD12 LEU 14 HD12 LEU 14 30.748 3.680 -3.572 105 HD13 LEU 14 HD13 LEU 14 30.223 4.151 -1.957 106 HD21 LEU 14 HD21 LEU 14 30.450 4.914 -5.371 107 HD22 LEU 14 HD22 LEU 14 30.333 6.640 -5.037 108 HD23 LEU 14 HD23 LEU 14 28.913 5.750 -5.584 109 H ASP 15 H ASP 15 26.791 6.810 -1.730 110 HA ASP 15 HA ASP 15 24.634 5.276 -0.582 111 HB2 ASP 15 HB2 ASP 15 26.566 6.484 0.656 112 HB3 ASP 15 HB3 ASP 15 25.588 7.941 0.446 113 H AIB 16 H AIB 16 23.799 6.176 -2.981 114 HB11 AIB 16 HB11 AIB 16 20.139 7.872 -2.702 115 HB12 AIB 16 HB12 AIB 16 21.116 7.865 -1.237 116 HB13 AIB 16 HB13 AIB 16 20.787 6.353 -2.084 117 HB21 AIB 16 HB21 AIB 16 22.573 9.519 -2.138 118 HB22 AIB 16 HB22 AIB 16 21.825 9.597 -3.733 119 HB23 AIB 16 HB23 AIB 16 23.544 9.230 -3.582 120 H ARG 17 H ARG 17 23.798 6.222 -4.453 121 HA ARG 17 HA ARG 17 21.910 5.967 -6.718 122 HB2 ARG 17 HB2 ARG 17 24.845 6.526 -6.630 123 HB3 ARG 17 HB3 ARG 17 24.214 5.550 -7.958 124 HG2 ARG 17 HG2 ARG 17 22.779 8.080 -7.255 125 HG3 ARG 17 HG3 ARG 17 24.301 8.201 -8.140 126 HD2 ARG 17 HD2 ARG 17 23.473 6.943 -9.964 127 HD3 ARG 17 HD3 ARG 17 22.119 6.316 -9.028 128 HE ARG 17 HE ARG 17 21.607 8.959 -9.020 129 HH11 ARG 17 HH11 ARG 17 22.554 6.759 -11.518 130 HH12 ARG 17 HH12 ARG 17 21.736 7.621 -12.778 131 HH21 ARG 17 HH21 ARG 17 20.533 10.096 -10.668 132 HH22 ARG 17 HH22 ARG 17 20.592 9.511 -12.297 133 H ARG 18 H ARG 18 23.777 4.486 -4.315 134 HA ARG 18 HA ARG 18 23.398 1.816 -5.553 135 HB2 ARG 18 HB2 ARG 18 25.743 3.031 -4.389 136 HB3 ARG 18 HB3 ARG 18 25.242 1.654 -3.403 137 HG2 ARG 18 HG2 ARG 18 25.569 1.547 -6.416 138 HG3 ARG 18 HG3 ARG 18 26.809 1.036 -5.270 139 HD2 ARG 18 HD2 ARG 18 24.260 -0.143 -4.581 140 HD3 ARG 18 HD3 ARG 18 24.668 -0.508 -6.255 141 HE ARG 18 HE ARG 18 26.983 -1.064 -4.980 142 HH11 ARG 18 HH11 ARG 18 23.676 -1.867 -4.350 143 HH12 ARG 18 HH12 ARG 18 24.044 -3.378 -3.590 144 HH21 ARG 18 HH21 ARG 18 27.473 -3.045 -3.984 145 HH22 ARG 18 HH22 ARG 18 26.193 -4.046 -3.383 146 H ALA 19 H ALA 19 22.201 3.971 -3.544 147 HA ALA 19 HA ALA 19 21.332 2.033 -1.498 148 HB1 ALA 19 HB1 ALA 19 22.347 4.755 -1.373 149 HB2 ALA 19 HB2 ALA 19 22.148 3.570 -0.075 150 HB3 ALA 19 HB3 ALA 19 20.787 4.586 -0.555 151 H GLN 20 H GLN 20 20.381 4.673 -3.654 152 HA GLN 20 HA GLN 20 17.616 4.655 -2.933 153 HB2 GLN 20 HB2 GLN 20 18.870 6.522 -4.128 154 HB3 GLN 20 HB3 GLN 20 18.755 5.539 -5.587 155 HG2 GLN 20 HG2 GLN 20 16.188 5.422 -4.826 156 HG3 GLN 20 HG3 GLN 20 16.610 6.964 -4.084 157 HE21 GLN 20 HE21 GLN 20 18.702 7.370 -6.316 158 HE22 GLN 20 HE22 GLN 20 17.778 7.881 -7.646 159 H ASP 21 H ASP 21 19.098 3.671 -6.024 160 HA ASP 21 HA ASP 21 16.957 2.244 -7.038 161 HB2 ASP 21 HB2 ASP 21 19.620 2.685 -7.768 162 HB3 ASP 21 HB3 ASP 21 19.473 0.928 -7.650 163 H PHE 22 H PHE 22 19.236 1.355 -4.561 164 HA PHE 22 HA PHE 22 18.548 -1.452 -4.576 165 HB2 PHE 22 HB2 PHE 22 20.784 -0.372 -3.858 166 HB3 PHE 22 HB3 PHE 22 19.957 -0.027 -2.334 167 HD1 PHE 22 HD1 PHE 22 20.432 -2.821 -4.775 168 HD2 PHE 22 HD2 PHE 22 19.973 -1.664 -0.667 169 HE1 PHE 22 HE1 PHE 22 20.732 -5.167 -4.085 170 HE2 PHE 22 HE2 PHE 22 20.281 -4.019 0.029 171 HZ PHE 22 HZ PHE 22 20.664 -5.780 -1.679 172 H VAL 23 H VAL 23 18.414 0.875 -1.874 173 HA VAL 23 HA VAL 23 16.535 -0.525 -0.374 174 HB VAL 23 HB VAL 23 17.028 2.458 -0.449 175 HG11 VAL 23 HG11 VAL 23 16.255 1.949 2.070 176 HG12 VAL 23 HG12 VAL 23 15.343 0.681 1.251 177 HG13 VAL 23 HG13 VAL 23 15.100 2.370 0.805 178 HG21 VAL 23 HG21 VAL 23 18.838 2.090 0.891 179 HG22 VAL 23 HG22 VAL 23 18.809 0.479 0.171 180 HG23 VAL 23 HG23 VAL 23 18.057 0.757 1.742 181 H GLN 24 H GLN 24 16.010 0.725 -3.372 182 HA GLN 24 HA GLN 24 13.340 1.747 -2.952 183 HB2 GLN 24 HB2 GLN 24 14.395 2.841 -4.716 184 HB3 GLN 24 HB3 GLN 24 15.158 1.366 -5.311 185 HG2 GLN 24 HG2 GLN 24 12.160 1.601 -5.353 186 HG3 GLN 24 HG3 GLN 24 13.110 2.400 -6.598 187 HE21 GLN 24 HE21 GLN 24 14.722 -0.398 -5.463 188 HE22 GLN 24 HE22 GLN 24 14.251 -1.452 -6.709 189 H TRP 25 H TRP 25 14.862 -1.285 -3.821 190 HA TRP 25 HA TRP 25 12.226 -2.447 -4.496 191 HB2 TRP 25 HB2 TRP 25 13.469 -3.526 -6.019 192 HB3 TRP 25 HB3 TRP 25 14.983 -3.032 -5.239 193 HD1 TRP 25 HD1 TRP 25 12.392 -5.778 -5.271 194 HE1 TRP 25 HE1 TRP 25 13.268 -7.778 -3.864 195 HE3 TRP 25 HE3 TRP 25 16.461 -3.624 -3.206 196 HZ2 TRP 25 HZ2 TRP 25 15.467 -8.328 -2.056 197 HZ3 TRP 25 HZ3 TRP 25 17.934 -4.837 -1.676 198 HH2 TRP 25 HH2 TRP 25 17.452 -7.204 -1.084 199 H LEU 26 H LEU 26 14.935 -2.624 -2.269 200 HA LEU 26 HA LEU 26 14.311 -4.902 -0.878 201 HB2 LEU 26 HB2 LEU 26 16.323 -3.448 -0.498 202 HB3 LEU 26 HB3 LEU 26 15.286 -2.344 0.395 203 HG LEU 26 HG LEU 26 14.625 -4.438 1.803 204 HD11 LEU 26 HD11 LEU 26 17.188 -5.375 0.484 205 HD12 LEU 26 HD12 LEU 26 15.627 -6.199 0.481 206 HD13 LEU 26 HD13 LEU 26 16.553 -6.062 1.974 207 HD21 LEU 26 HD21 LEU 26 17.411 -3.259 1.977 208 HD22 LEU 26 HD22 LEU 26 16.551 -4.059 3.292 209 HD23 LEU 26 HD23 LEU 26 15.947 -2.534 2.642 210 H MET 27 H MET 27 12.881 -1.687 -0.664 211 HA MET 27 HA MET 27 11.104 -2.547 1.510 212 HB2 MET 27 HB2 MET 27 10.491 -0.228 1.709 213 HB3 MET 27 HB3 MET 27 12.250 -0.311 1.571 214 HG2 MET 27 HG2 MET 27 11.978 1.231 -0.078 215 HG3 MET 27 HG3 MET 27 11.507 -0.158 -1.064 216 HE1 MET 27 HE1 MET 27 9.175 3.166 -1.527 217 HE2 MET 27 HE2 MET 27 10.526 2.285 -2.237 218 HE3 MET 27 HE3 MET 27 10.758 3.179 -0.737 219 H ASN 28 H ASN 28 11.072 -3.115 -1.618 220 HA ASN 28 HA ASN 28 8.313 -2.278 -2.162 221 HB2 ASN 28 HB2 ASN 28 10.003 -1.956 -3.930 222 HB3 ASN 28 HB3 ASN 28 10.317 -3.691 -3.938 223 HD21 ASN 28 HD21 ASN 28 8.129 -1.198 -5.044 224 HD22 ASN 28 HD22 ASN 28 7.073 -2.226 -5.884 225 H THR 29 H THR 29 10.277 -5.173 -1.700 226 HA THR 29 HA THR 29 7.953 -6.908 -2.074 227 HB THR 29 HB THR 29 9.632 -8.733 -1.646 228 HG1 THR 29 HG1 THR 29 11.848 -7.935 -1.792 229 HG21 THR 29 HG21 THR 29 9.543 -8.571 -3.903 230 HG22 THR 29 HG22 THR 29 11.086 -7.729 -3.761 231 HG23 THR 29 HG23 THR 29 9.585 -6.808 -3.864 232 HN1 NH2 30 HN1 NH2 30 6.639 -7.333 -0.316 233 HN2 NH2 30 HN2 NH2 30 7.151 -7.363 1.302 234 H GGL 101 H1 GGL 101 32.744 8.734 -12.934 235 HA GGL 101 HA GGL 101 31.324 8.039 -10.757 236 HB2 GGL 101 HB2 GGL 101 29.435 9.143 -12.840 237 HB3 GGL 101 HB3 GGL 101 29.566 9.601 -11.141 238 HG2 GGL 101 HG2 GGL 101 28.271 7.213 -12.372 239 HG3 GGL 101 HG3 GGL 101 29.070 6.982 -10.818 240 H GGL 102 H GGL 102 32.656 13.407 -8.783 241 HA GGL 102 HA GGL 102 31.244 11.984 -10.424 242 HB2 GGL 102 HB2 GGL 102 33.549 12.907 -10.912 243 HB3 GGL 102 HB3 GGL 102 34.217 11.411 -10.281 244 HG2 GGL 102 HG2 GGL 102 33.218 11.961 -12.922 245 HG3 GGL 102 HG3 GGL 102 34.014 10.512 -12.331 246 H21 PLM 103 H21 PLM 103 33.252 13.204 -6.340 247 H22 PLM 103 H22 PLM 103 32.352 11.991 -5.433 248 H31 PLM 103 H31 PLM 103 34.084 10.989 -7.635 249 H32 PLM 103 H32 PLM 103 34.906 11.619 -6.207 250 H41 PLM 103 H41 PLM 103 32.610 9.701 -5.892 251 H42 PLM 103 H42 PLM 103 33.952 10.014 -4.792 252 H51 PLM 103 H51 PLM 103 34.144 8.621 -7.480 253 H52 PLM 103 H52 PLM 103 35.507 8.970 -6.419 254 H61 PLM 103 H61 PLM 103 33.149 7.467 -5.328 255 H62 PLM 103 H62 PLM 103 34.836 7.409 -4.822 256 H71 PLM 103 H71 PLM 103 35.144 6.501 -7.325 257 H72 PLM 103 H72 PLM 103 34.750 5.421 -5.988 258 H81 PLM 103 H81 PLM 103 32.652 6.761 -7.715 259 H82 PLM 103 H82 PLM 103 32.407 5.464 -6.545 260 H91 PLM 103 H91 PLM 103 33.629 5.349 -9.282 261 H92 PLM 103 H92 PLM 103 34.190 4.211 -8.058 262 HA1 PLM 103 HA1 PLM 103 32.339 3.235 -9.342 263 HA2 PLM 103 HA2 PLM 103 31.848 3.493 -7.669 264 HB1 PLM 103 HB1 PLM 103 31.271 5.404 -9.957 265 HB2 PLM 103 HB2 PLM 103 30.711 5.577 -8.295 266 HC1 PLM 103 HC1 PLM 103 29.121 4.520 -10.108 267 HC2 PLM 103 HC2 PLM 103 30.070 3.064 -9.821 268 HD1 PLM 103 HD1 PLM 103 28.552 2.719 -8.147 269 HD2 PLM 103 HD2 PLM 103 29.577 3.840 -7.257 270 HE1 PLM 103 HE1 PLM 103 28.130 5.712 -8.270 271 HE2 PLM 103 HE2 PLM 103 27.386 4.720 -7.018 272 HF1 PLM 103 HF1 PLM 103 27.034 3.561 -9.680 273 HF2 PLM 103 HF2 PLM 103 25.827 3.921 -8.448 274 HG1 PLM 103 HG1 PLM 103 26.971 5.789 -10.532 275 HG2 PLM 103 HG2 PLM 103 25.288 5.314 -10.311 276 HG3 PLM 103 HG3 PLM 103 26.066 6.374 -9.136
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