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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
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652074 |
6vh8 ![]() ![]() |
30711 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 LEU 1 1HT LEU 1 16.652 7.438 -0.895 2 H2 LEU 1 2HT LEU 1 15.967 6.645 0.442 3 H3 LEU 1 3HT LEU 1 16.116 8.314 0.448 4 HA LEU 1 HA LEU 1 14.532 8.538 -1.283 5 HB2 LEU 1 2HB LEU 1 14.377 5.524 -1.077 6 HB3 LEU 1 1HB LEU 1 13.213 6.519 -1.919 7 HG LEU 1 HG LEU 1 16.124 6.337 -2.648 8 HD11 LEU 1 1HD1 LEU 1 15.351 4.973 -4.537 9 HD12 LEU 1 2HD1 LEU 1 13.708 5.025 -3.902 10 HD13 LEU 1 3HD1 LEU 1 14.978 4.199 -2.998 11 HD21 LEU 1 1HD2 LEU 1 15.085 8.439 -3.321 12 HD22 LEU 1 2HD2 LEU 1 13.763 7.555 -4.085 13 HD23 LEU 1 3HD2 LEU 1 15.400 7.421 -4.725 14 HA PRO 2 HA PRO 2 11.760 8.857 2.162 15 HB2 PRO 2 2HB PRO 2 9.444 9.328 0.783 16 HB3 PRO 2 1HB PRO 2 10.666 10.572 1.057 17 HG2 PRO 2 2HG PRO 2 10.193 8.881 -1.360 18 HG3 PRO 2 1HG PRO 2 10.566 10.613 -1.260 19 HD2 PRO 2 2HD PRO 2 12.455 8.790 -1.878 20 HD3 PRO 2 1HD PRO 2 12.825 10.228 -0.906 21 H ARG 3 H ARG 3 10.014 7.707 3.142 22 HA ARG 3 HA ARG 3 9.647 5.075 1.880 23 HB2 ARG 3 2HB ARG 3 9.712 5.573 4.856 24 HB3 ARG 3 1HB ARG 3 9.742 4.039 4.007 25 HG2 ARG 3 2HG ARG 3 11.950 6.070 4.184 26 HG3 ARG 3 1HG ARG 3 11.906 4.469 4.911 27 HD2 ARG 3 2HD ARG 3 11.995 5.113 1.966 28 HD3 ARG 3 1HD ARG 3 13.334 4.521 2.934 29 HE ARG 3 HE ARG 3 11.806 2.515 3.279 30 HH11 ARG 3 1HH1 ARG 3 11.631 4.488 0.315 31 HH12 ARG 3 2HH1 ARG 3 11.544 3.142 -0.735 32 HH21 ARG 3 1HH2 ARG 3 11.631 0.671 1.775 33 HH22 ARG 3 2HH2 ARG 3 11.558 1.000 0.092 34 H CYS 4 H CYS 4 7.607 4.227 1.987 35 HA CYS 4 HA CYS 4 5.509 6.009 2.949 36 HB2 CYS 4 2HB CYS 4 5.116 3.270 1.734 37 HB3 CYS 4 1HB CYS 4 3.969 4.602 1.796 38 H ASP 5 H ASP 5 6.243 2.508 3.158 39 HA ASP 5 HA ASP 5 5.846 0.939 4.682 40 HB2 ASP 5 2HB ASP 5 6.953 3.155 6.397 41 HB3 ASP 5 1HB ASP 5 6.494 1.611 7.109 42 H SER 6 H SER 6 3.597 2.518 3.927 43 HA SER 6 HA SER 6 1.848 3.215 5.883 44 HB2 SER 6 2HB SER 6 1.214 1.772 3.312 45 HB3 SER 6 1HB SER 6 0.231 2.989 4.140 46 HG SER 6 HG SER 6 1.237 4.147 2.640 47 HA PRO 7 HA PRO 7 1.582 -0.665 8.014 48 HB2 PRO 7 2HB PRO 7 -0.568 -0.082 9.596 49 HB3 PRO 7 1HB PRO 7 1.071 0.497 9.907 50 HG2 PRO 7 2HG PRO 7 -1.231 1.912 8.629 51 HG3 PRO 7 1HG PRO 7 -0.037 2.527 9.782 52 HD2 PRO 7 2HD PRO 7 0.091 3.034 7.128 53 HD3 PRO 7 1HD PRO 7 1.545 2.878 8.142 54 H PHE 8 H PHE 8 -1.125 0.609 6.249 55 HA PHE 8 HA PHE 8 -2.002 -2.046 5.637 56 HB2 PHE 8 2HB PHE 8 -4.369 -1.587 6.271 57 HB3 PHE 8 1HB PHE 8 -3.306 -1.627 7.670 58 HD1 PHE 8 1HD PHE 8 -5.448 0.460 5.573 59 HD2 PHE 8 2HD PHE 8 -2.823 0.412 8.918 60 HE1 PHE 8 1HE PHE 8 -6.259 2.666 6.236 61 HE2 PHE 8 2HE PHE 8 -3.630 2.634 9.589 62 HZ PHE 8 HZ PHE 8 -5.350 3.768 8.251 63 H CYS 9 H CYS 9 -3.784 -1.895 3.997 64 HA CYS 9 HA CYS 9 -4.343 0.525 2.664 65 HB2 CYS 9 2HB CYS 9 -1.979 0.005 1.879 66 HB3 CYS 9 1HB CYS 9 -2.603 -1.498 1.211 67 H SER 10 H SER 10 -5.744 -0.157 0.681 68 HA SER 10 HA SER 10 -6.758 -2.869 0.851 69 HB2 SER 10 2HB SER 10 -8.552 -0.505 1.490 70 HB3 SER 10 1HB SER 10 -9.073 -2.181 1.330 71 HG SER 10 HG SER 10 -7.064 -2.072 3.053 72 H LEU 11 H LEU 11 -8.457 -3.207 -0.852 73 HA LEU 11 HA LEU 11 -7.653 -1.905 -3.218 74 HB2 LEU 11 2HB LEU 11 -9.418 -3.263 -4.350 75 HB3 LEU 11 1HB LEU 11 -8.243 -4.127 -3.375 76 HG LEU 11 HG LEU 11 -10.013 -4.308 -1.586 77 HD11 LEU 11 1HD1 LEU 11 -11.842 -3.446 -3.811 78 HD12 LEU 11 2HD1 LEU 11 -11.517 -2.556 -2.324 79 HD13 LEU 11 3HD1 LEU 11 -12.341 -4.113 -2.257 80 HD21 LEU 11 1HD2 LEU 11 -11.138 -6.170 -2.693 81 HD22 LEU 11 2HD2 LEU 11 -9.399 -6.170 -2.982 82 HD23 LEU 11 3HD2 LEU 11 -10.504 -5.622 -4.244 83 H PHE 12 H PHE 12 -10.017 -1.195 -1.007 84 HA PHE 12 HA PHE 12 -11.535 0.600 -2.722 85 HB2 PHE 12 2HB PHE 12 -11.513 0.436 0.305 86 HB3 PHE 12 1HB PHE 12 -12.617 1.415 -0.643 87 HD1 PHE 12 1HD PHE 12 -13.988 0.026 -2.452 88 HD2 PHE 12 2HD PHE 12 -12.244 -1.593 1.074 89 HE1 PHE 12 1HE PHE 12 -15.602 -1.821 -2.505 90 HE2 PHE 12 2HE PHE 12 -13.857 -3.450 1.012 91 HZ PHE 12 HZ PHE 12 -15.533 -3.565 -0.772 92 H ARG 13 H ARG 13 -8.888 0.839 -0.511 93 HA ARG 13 HA ARG 13 -8.446 3.588 -1.345 94 HB2 ARG 13 2HB ARG 13 -8.440 2.553 1.476 95 HB3 ARG 13 1HB ARG 13 -7.517 3.968 1.008 96 HG2 ARG 13 2HG ARG 13 -10.503 3.643 0.812 97 HG3 ARG 13 1HG ARG 13 -9.622 4.615 1.998 98 HD2 ARG 13 2HD ARG 13 -8.619 5.838 -0.004 99 HD3 ARG 13 1HD ARG 13 -9.869 5.055 -0.963 100 HE ARG 13 HE ARG 13 -11.098 6.230 1.198 101 HH11 ARG 13 1HH1 ARG 13 -9.407 7.198 -1.755 102 HH12 ARG 13 2HH1 ARG 13 -10.028 8.785 -1.773 103 HH21 ARG 13 1HH2 ARG 13 -11.929 8.420 1.207 104 HH22 ARG 13 2HH2 ARG 13 -11.504 9.502 -0.035 105 H ILE 14 H ILE 14 -7.002 2.959 -2.756 106 HA ILE 14 HA ILE 14 -4.672 1.485 -1.815 107 HB ILE 14 HB ILE 14 -3.884 1.605 -4.171 108 HG12 ILE 14 2HG1 ILE 14 -6.544 2.969 -4.697 109 HG13 ILE 14 1HG1 ILE 14 -4.966 3.739 -4.791 110 HG21 ILE 14 1HG2 ILE 14 -6.681 0.533 -3.828 111 HG22 ILE 14 2HG2 ILE 14 -5.182 -0.313 -3.453 112 HG23 ILE 14 3HG2 ILE 14 -5.574 0.090 -5.125 113 HD11 ILE 14 1HD1 ILE 14 -5.844 3.180 -6.990 114 HD12 ILE 14 2HD1 ILE 14 -5.929 1.480 -6.518 115 HD13 ILE 14 3HD1 ILE 14 -4.363 2.282 -6.645 116 H GLY 15 H GLY 15 -5.762 4.554 -1.828 117 HA2 GLY 15 2HA GLY 15 -3.479 6.050 -2.591 118 HA3 GLY 15 1HA GLY 15 -4.857 6.652 -1.694 119 H LEU 16 H LEU 16 -3.846 4.075 0.014 120 HA LEU 16 HA LEU 16 -2.446 5.576 1.987 121 HB2 LEU 16 2HB LEU 16 -2.871 2.609 1.625 122 HB3 LEU 16 1HB LEU 16 -1.842 3.228 2.892 123 HG LEU 16 HG LEU 16 -3.993 2.624 3.787 124 HD11 LEU 16 1HD1 LEU 16 -4.638 4.701 4.873 125 HD12 LEU 16 2HD1 LEU 16 -3.639 5.601 3.736 126 HD13 LEU 16 3HD1 LEU 16 -2.897 4.449 4.846 127 HD21 LEU 16 1HD2 LEU 16 -6.057 3.780 3.155 128 HD22 LEU 16 2HD2 LEU 16 -5.378 2.872 1.804 129 HD23 LEU 16 3HD2 LEU 16 -5.187 4.623 1.874 130 H CYS 17 H CYS 17 -1.550 3.870 -0.852 131 HA CYS 17 HA CYS 17 1.254 4.505 -0.312 132 HB2 CYS 17 2HB CYS 17 0.350 2.108 -1.906 133 HB3 CYS 17 1HB CYS 17 1.964 2.487 -1.348 134 H GLY 18 H GLY 18 0.888 6.425 -1.480 135 HA2 GLY 18 2HA GLY 18 0.092 6.025 -4.271 136 HA3 GLY 18 1HA GLY 18 -0.123 7.513 -3.362 137 H ASP 19 H ASP 19 1.453 6.378 -5.804 138 HA ASP 19 HA ASP 19 2.940 7.296 -7.145 139 HB2 ASP 19 2HB ASP 19 2.326 9.363 -6.320 140 HB3 ASP 19 1HB ASP 19 3.327 9.217 -4.886 141 H LYS 20 H LYS 20 3.865 6.326 -4.094 142 HA LYS 20 HA LYS 20 6.618 5.999 -5.077 143 HB2 LYS 20 2HB LYS 20 5.858 6.442 -2.208 144 HB3 LYS 20 1HB LYS 20 7.488 6.363 -2.879 145 HG2 LYS 20 2HG LYS 20 6.896 8.294 -4.338 146 HG3 LYS 20 1HG LYS 20 5.390 8.429 -3.453 147 HD2 LYS 20 2HD LYS 20 6.716 8.701 -1.386 148 HD3 LYS 20 1HD LYS 20 8.174 8.762 -2.380 149 HE2 LYS 20 2HE LYS 20 5.840 10.680 -2.449 150 HE3 LYS 20 1HE LYS 20 7.495 11.018 -1.962 151 HZ1 LYS 20 1HZ LYS 20 8.188 10.573 -4.268 152 HZ2 LYS 20 2HZ LYS 20 7.101 11.849 -4.170 153 HZ3 LYS 20 3HZ LYS 20 6.572 10.360 -4.725 154 H CYS 21 H CYS 21 4.138 4.402 -3.122 155 HA CYS 21 HA CYS 21 5.701 1.955 -3.476 156 HB2 CYS 21 2HB CYS 21 4.039 2.581 -1.012 157 HB3 CYS 21 1HB CYS 21 5.091 1.211 -1.279 158 H THR 22 H THR 22 4.023 0.003 -2.976 159 HA THR 22 HA THR 22 1.435 0.750 -4.077 160 HB THR 22 HB THR 22 3.192 -1.469 -5.196 161 HG1 THR 22 1HG THR 22 3.118 1.160 -5.667 162 HG21 THR 22 1HG2 THR 22 0.764 -1.919 -5.376 163 HG22 THR 22 2HG2 THR 22 1.474 -1.615 -6.960 164 HG23 THR 22 3HG2 THR 22 0.535 -0.355 -6.155 165 H CYS 23 H CYS 23 -0.212 -0.608 -3.274 166 HA CYS 23 HA CYS 23 0.754 -2.578 -1.364 167 HB2 CYS 23 2HB CYS 23 -1.328 -2.325 -0.173 168 HB3 CYS 23 1HB CYS 23 -0.546 -0.760 -0.341 169 H VAL 24 H VAL 24 -0.195 -4.542 -1.251 170 HA VAL 24 HA VAL 24 -1.664 -5.316 -3.643 171 HB VAL 24 HB VAL 24 0.493 -6.422 -3.580 172 HG11 VAL 24 1HG1 VAL 24 1.209 -7.880 -1.749 173 HG12 VAL 24 2HG1 VAL 24 -0.173 -7.339 -0.794 174 HG13 VAL 24 3HG1 VAL 24 1.079 -6.189 -1.264 175 HG21 VAL 24 1HG2 VAL 24 -1.674 -8.342 -2.732 176 HG22 VAL 24 2HG2 VAL 24 -0.141 -8.809 -3.466 177 HG23 VAL 24 3HG2 VAL 24 -1.291 -7.835 -4.379 178 HA PRO 25 HA PRO 25 -4.774 -5.976 -0.423 179 HB2 PRO 25 2HB PRO 25 -6.745 -6.070 -2.531 180 HB3 PRO 25 1HB PRO 25 -6.508 -4.819 -1.314 181 HG2 PRO 25 2HG PRO 25 -6.022 -4.439 -3.988 182 HG3 PRO 25 1HG PRO 25 -5.223 -3.528 -2.696 183 HD2 PRO 25 2HD PRO 25 -4.214 -5.853 -4.284 184 HD3 PRO 25 1HD PRO 25 -3.369 -4.383 -3.741 185 H LEU 26 H LEU 26 -5.098 -7.939 0.376 186 HA LEU 26 HA LEU 26 -6.200 -9.978 -1.229 187 HB2 LEU 26 2HB LEU 26 -4.512 -11.695 -0.923 188 HB3 LEU 26 1HB LEU 26 -3.808 -10.329 -1.738 189 HG LEU 26 HG LEU 26 -3.391 -10.994 1.182 190 HD11 LEU 26 1HD1 LEU 26 -1.597 -11.469 -1.197 191 HD12 LEU 26 2HD1 LEU 26 -2.429 -12.706 -0.258 192 HD13 LEU 26 3HD1 LEU 26 -1.154 -11.742 0.487 193 HD21 LEU 26 1HD2 LEU 26 -1.516 -9.424 1.066 194 HD22 LEU 26 2HD2 LEU 26 -3.045 -8.622 0.696 195 HD23 LEU 26 3HD2 LEU 26 -1.933 -9.047 -0.604 196 HA PRO 27 HA PRO 27 -7.977 -10.601 -1.067 197 HB2 PRO 27 2HB PRO 27 -10.413 -10.306 0.449 198 HB3 PRO 27 1HB PRO 27 -9.857 -11.707 -0.470 199 HG2 PRO 27 2HG PRO 27 -10.059 -11.690 2.243 200 HG3 PRO 27 1HG PRO 27 -8.883 -12.681 1.366 201 HD2 PRO 27 2HD PRO 27 -8.470 -10.048 2.750 202 HD3 PRO 27 1HD PRO 27 -7.447 -11.498 2.750 203 H ILE 28 H ILE 28 -9.499 -8.579 1.498 204 HA ILE 28 HA ILE 28 -9.992 -6.506 -0.493 205 HB ILE 28 HB ILE 28 -10.862 -6.661 2.412 206 HG12 ILE 28 2HG1 ILE 28 -11.927 -8.417 1.083 207 HG13 ILE 28 1HG1 ILE 28 -13.101 -7.189 1.532 208 HG21 ILE 28 1HG2 ILE 28 -10.729 -4.368 1.680 209 HG22 ILE 28 2HG2 ILE 28 -12.407 -4.859 1.901 210 HG23 ILE 28 3HG2 ILE 28 -11.732 -4.737 0.276 211 HD11 ILE 28 1HD1 ILE 28 -11.783 -7.507 -1.151 212 HD12 ILE 28 2HD1 ILE 28 -12.930 -6.238 -0.724 213 HD13 ILE 28 3HD1 ILE 28 -13.447 -7.925 -0.743 214 H PHE 29 H PHE 29 -8.398 -6.918 2.621 215 HA PHE 29 HA PHE 29 -7.095 -4.340 2.261 216 HB2 PHE 29 2HB PHE 29 -6.348 -4.550 4.596 217 HB3 PHE 29 1HB PHE 29 -8.087 -4.745 4.497 218 HD1 PHE 29 1HD PHE 29 -4.897 -6.380 5.262 219 HD2 PHE 29 2HD PHE 29 -9.116 -6.914 4.980 220 HE1 PHE 29 1HE PHE 29 -4.718 -8.475 6.543 221 HE2 PHE 29 2HE PHE 29 -8.937 -9.000 6.251 222 HZ PHE 29 HZ PHE 29 -6.742 -9.788 7.038 223 H GLY 30 H GLY 30 -4.719 -4.293 2.680 224 HA2 GLY 30 2HA GLY 30 -3.348 -6.798 2.354 225 HA3 GLY 30 1HA GLY 30 -3.306 -5.750 0.948 226 H LEU 31 H LEU 31 -0.995 -6.174 1.725 227 HA LEU 31 HA LEU 31 -0.264 -4.143 3.674 228 HB2 LEU 31 2HB LEU 31 1.936 -5.268 3.780 229 HB3 LEU 31 1HB LEU 31 0.616 -6.303 4.248 230 HG LEU 31 HG LEU 31 0.794 -7.240 1.829 231 HD11 LEU 31 1HD1 LEU 31 3.036 -7.164 0.856 232 HD12 LEU 31 2HD1 LEU 31 3.526 -6.003 2.087 233 HD13 LEU 31 3HD1 LEU 31 2.287 -5.569 0.912 234 HD21 LEU 31 1HD2 LEU 31 2.491 -8.845 2.552 235 HD22 LEU 31 2HD2 LEU 31 1.316 -8.512 3.823 236 HD23 LEU 31 3HD2 LEU 31 2.919 -7.781 3.892 237 H CYS 32 H CYS 32 1.706 -2.922 3.180 238 HA CYS 32 HA CYS 32 1.548 -2.006 0.402 239 HB2 CYS 32 2HB CYS 32 0.964 -0.425 2.258 240 HB3 CYS 32 1HB CYS 32 2.635 -0.553 2.803 241 H VAL 33 H VAL 33 3.350 -2.176 -0.849 242 HA VAL 33 HA VAL 33 5.786 -2.855 0.560 243 HB VAL 33 HB VAL 33 4.865 -4.889 -0.514 244 HG11 VAL 33 1HG1 VAL 33 5.192 -3.426 -3.117 245 HG12 VAL 33 2HG1 VAL 33 3.662 -3.909 -2.376 246 HG13 VAL 33 3HG1 VAL 33 4.803 -5.136 -2.940 247 HG21 VAL 33 1HG2 VAL 33 6.874 -5.576 -1.742 248 HG22 VAL 33 2HG2 VAL 33 7.277 -4.691 -0.270 249 HG23 VAL 33 3HG2 VAL 33 7.384 -3.891 -1.837 250 HA PRO 34 HA PRO 34 7.314 0.398 -2.046 251 HB2 PRO 34 2HB PRO 34 9.647 0.744 -0.715 252 HB3 PRO 34 1HB PRO 34 8.120 1.385 -0.107 253 HG2 PRO 34 2HG PRO 34 9.697 -0.935 0.814 254 HG3 PRO 34 1HG PRO 34 8.591 0.101 1.728 255 HD2 PRO 34 2HD PRO 34 8.056 -2.476 0.673 256 HD3 PRO 34 1HD PRO 34 6.892 -1.348 1.393 257 H ASP 35 H ASP 35 8.296 -0.050 -3.945 258 HA ASP 35 HA ASP 35 9.803 -2.509 -4.205 259 HB2 ASP 35 2HB ASP 35 8.264 -1.728 -6.042 260 HB3 ASP 35 1HB ASP 35 9.379 -0.379 -6.292 261 H VAL 36 H VAL 36 10.301 0.894 -4.106 262 HA VAL 36 HA VAL 36 13.131 0.431 -4.146 263 HB VAL 36 HB VAL 36 13.466 2.813 -4.879 264 HG11 VAL 36 1HG1 VAL 36 12.855 2.464 -7.225 265 HG12 VAL 36 2HG1 VAL 36 11.811 1.127 -6.743 266 HG13 VAL 36 3HG1 VAL 36 13.555 1.016 -6.499 267 HG21 VAL 36 1HG2 VAL 36 11.594 4.057 -5.873 268 HG22 VAL 36 2HG2 VAL 36 11.315 3.760 -4.156 269 HG23 VAL 36 3HG2 VAL 36 10.482 2.784 -5.368 Start of MODEL 2 1 H1 LEU 1 1HT LEU 1 16.684 4.400 -0.233 2 H2 LEU 1 2HT LEU 1 15.692 4.995 1.028 3 H3 LEU 1 3HT LEU 1 15.546 5.614 -0.509 4 HA LEU 1 HA LEU 1 14.670 3.607 -1.346 5 HB2 LEU 1 2HB LEU 1 16.091 2.249 0.324 6 HB3 LEU 1 1HB LEU 1 14.851 2.609 1.506 7 HG LEU 1 HG LEU 1 14.290 1.034 -1.018 8 HD11 LEU 1 1HD1 LEU 1 16.030 -0.096 0.280 9 HD12 LEU 1 2HD1 LEU 1 14.499 -0.967 0.365 10 HD13 LEU 1 3HD1 LEU 1 15.025 0.022 1.725 11 HD21 LEU 1 1HD2 LEU 1 12.340 1.978 0.166 12 HD22 LEU 1 2HD2 LEU 1 12.880 1.172 1.640 13 HD23 LEU 1 3HD2 LEU 1 12.381 0.218 0.245 14 HA PRO 2 HA PRO 2 11.147 6.034 -0.203 15 HB2 PRO 2 2HB PRO 2 9.218 4.558 -1.439 16 HB3 PRO 2 1HB PRO 2 10.313 5.637 -2.310 17 HG2 PRO 2 2HG PRO 2 10.468 2.669 -1.962 18 HG3 PRO 2 1HG PRO 2 10.765 3.643 -3.415 19 HD2 PRO 2 2HD PRO 2 12.798 2.685 -1.885 20 HD3 PRO 2 1HD PRO 2 12.901 4.250 -2.718 21 H ARG 3 H ARG 3 9.706 6.159 1.341 22 HA ARG 3 HA ARG 3 9.300 3.727 2.908 23 HB2 ARG 3 2HB ARG 3 8.821 6.566 3.781 24 HB3 ARG 3 1HB ARG 3 8.817 5.120 4.769 25 HG2 ARG 3 2HG ARG 3 11.227 4.851 4.295 26 HG3 ARG 3 1HG ARG 3 11.188 6.410 3.468 27 HD2 ARG 3 2HD ARG 3 10.756 5.794 6.364 28 HD3 ARG 3 1HD ARG 3 11.887 6.931 5.634 29 HE ARG 3 HE ARG 3 8.977 7.370 5.536 30 HH11 ARG 3 1HH1 ARG 3 12.199 8.684 6.226 31 HH12 ARG 3 2HH1 ARG 3 11.581 10.163 6.803 32 HH21 ARG 3 1HH2 ARG 3 8.186 9.261 6.373 33 HH22 ARG 3 2HH2 ARG 3 9.231 10.534 6.880 34 H CYS 4 H CYS 4 7.204 3.316 3.674 35 HA CYS 4 HA CYS 4 5.215 4.120 1.768 36 HB2 CYS 4 2HB CYS 4 5.033 2.243 4.117 37 HB3 CYS 4 1HB CYS 4 3.830 2.418 2.836 38 H ASP 5 H ASP 5 5.814 4.485 5.216 39 HA ASP 5 HA ASP 5 5.114 5.919 6.794 40 HB2 ASP 5 2HB ASP 5 4.558 7.643 4.386 41 HB3 ASP 5 1HB ASP 5 4.389 8.229 6.038 42 H SER 6 H SER 6 3.113 4.128 5.442 43 HA SER 6 HA SER 6 0.762 5.237 6.734 44 HB2 SER 6 2HB SER 6 0.785 5.814 4.246 45 HB3 SER 6 1HB SER 6 0.719 4.087 3.928 46 HG SER 6 HG SER 6 -1.254 5.054 3.834 47 HA PRO 7 HA PRO 7 1.056 1.152 8.362 48 HB2 PRO 7 2HB PRO 7 -1.570 0.837 9.189 49 HB3 PRO 7 1HB PRO 7 -0.301 1.645 10.109 50 HG2 PRO 7 2HG PRO 7 -2.471 2.804 8.448 51 HG3 PRO 7 1HG PRO 7 -1.736 3.423 9.933 52 HD2 PRO 7 2HD PRO 7 -1.161 4.438 7.480 53 HD3 PRO 7 1HD PRO 7 0.003 4.418 8.806 54 H PHE 8 H PHE 8 -2.013 1.536 6.571 55 HA PHE 8 HA PHE 8 -1.448 -1.030 5.259 56 HB2 PHE 8 2HB PHE 8 -4.023 -0.428 6.707 57 HB3 PHE 8 1HB PHE 8 -3.809 -1.777 5.604 58 HD1 PHE 8 1HD PHE 8 -2.026 -3.509 6.206 59 HD2 PHE 8 2HD PHE 8 -3.508 -0.613 8.946 60 HE1 PHE 8 1HE PHE 8 -1.249 -4.889 8.091 61 HE2 PHE 8 2HE PHE 8 -2.727 -1.981 10.823 62 HZ PHE 8 HZ PHE 8 -1.604 -4.111 10.405 63 H CYS 9 H CYS 9 -3.415 -1.516 3.723 64 HA CYS 9 HA CYS 9 -4.605 0.709 2.418 65 HB2 CYS 9 2HB CYS 9 -2.320 0.762 1.464 66 HB3 CYS 9 1HB CYS 9 -2.431 -0.961 1.131 67 H SER 10 H SER 10 -5.915 -0.350 0.512 68 HA SER 10 HA SER 10 -6.329 -3.196 0.655 69 HB2 SER 10 2HB SER 10 -8.714 -3.006 1.356 70 HB3 SER 10 1HB SER 10 -7.594 -2.519 2.631 71 HG SER 10 HG SER 10 -8.212 -0.553 2.487 72 H LEU 11 H LEU 11 -8.322 -3.731 -0.779 73 HA LEU 11 HA LEU 11 -8.216 -2.538 -3.306 74 HB2 LEU 11 2HB LEU 11 -10.471 -4.013 -1.967 75 HB3 LEU 11 1HB LEU 11 -10.517 -3.517 -3.641 76 HG LEU 11 HG LEU 11 -8.501 -5.430 -2.481 77 HD11 LEU 11 1HD1 LEU 11 -10.799 -6.319 -2.424 78 HD12 LEU 11 2HD1 LEU 11 -9.815 -7.147 -3.629 79 HD13 LEU 11 3HD1 LEU 11 -10.986 -5.930 -4.135 80 HD21 LEU 11 1HD2 LEU 11 -7.755 -4.183 -4.486 81 HD22 LEU 11 2HD2 LEU 11 -9.196 -4.730 -5.339 82 HD23 LEU 11 3HD2 LEU 11 -7.985 -5.898 -4.813 83 H PHE 12 H PHE 12 -10.191 -1.882 -0.536 84 HA PHE 12 HA PHE 12 -11.956 -0.008 -1.722 85 HB2 PHE 12 2HB PHE 12 -11.170 -0.471 1.163 86 HB3 PHE 12 1HB PHE 12 -12.470 0.583 0.648 87 HD1 PHE 12 1HD PHE 12 -11.390 -2.894 1.090 88 HD2 PHE 12 2HD PHE 12 -14.566 -0.327 -0.125 89 HE1 PHE 12 1HE PHE 12 -12.970 -4.777 1.228 90 HE2 PHE 12 2HE PHE 12 -16.138 -2.209 0.007 91 HZ PHE 12 HZ PHE 12 -15.343 -4.434 0.682 92 H ARG 13 H ARG 13 -9.191 0.254 0.446 93 HA ARG 13 HA ARG 13 -9.007 3.084 -0.238 94 HB2 ARG 13 2HB ARG 13 -8.200 1.614 2.257 95 HB3 ARG 13 1HB ARG 13 -7.909 3.326 1.947 96 HG2 ARG 13 2HG ARG 13 -10.607 2.030 2.094 97 HG3 ARG 13 1HG ARG 13 -9.845 2.981 3.376 98 HD2 ARG 13 2HD ARG 13 -9.791 4.920 1.946 99 HD3 ARG 13 1HD ARG 13 -10.482 3.999 0.610 100 HE ARG 13 HE ARG 13 -12.230 3.705 2.641 101 HH11 ARG 13 1HH1 ARG 13 -10.834 6.456 0.915 102 HH12 ARG 13 2HH1 ARG 13 -12.213 7.444 1.108 103 HH21 ARG 13 1HH2 ARG 13 -14.128 5.050 2.857 104 HH22 ARG 13 2HH2 ARG 13 -14.101 6.632 2.242 105 H ILE 14 H ILE 14 -7.817 2.894 -1.965 106 HA ILE 14 HA ILE 14 -5.207 1.578 -1.828 107 HB ILE 14 HB ILE 14 -5.175 2.132 -4.329 108 HG12 ILE 14 2HG1 ILE 14 -8.094 2.683 -3.742 109 HG13 ILE 14 1HG1 ILE 14 -6.910 3.817 -4.381 110 HG21 ILE 14 1HG2 ILE 14 -6.567 0.213 -4.906 111 HG22 ILE 14 2HG2 ILE 14 -7.230 0.215 -3.272 112 HG23 ILE 14 3HG2 ILE 14 -5.514 -0.110 -3.529 113 HD11 ILE 14 1HD1 ILE 14 -6.788 2.508 -6.437 114 HD12 ILE 14 2HD1 ILE 14 -8.440 3.024 -6.095 115 HD13 ILE 14 3HD1 ILE 14 -7.950 1.364 -5.772 116 H GLY 15 H GLY 15 -6.561 4.597 -1.461 117 HA2 GLY 15 2HA GLY 15 -4.384 6.123 -2.600 118 HA3 GLY 15 1HA GLY 15 -5.763 6.758 -1.715 119 H LEU 16 H LEU 16 -4.380 4.279 -0.026 120 HA LEU 16 HA LEU 16 -3.310 6.137 1.877 121 HB2 LEU 16 2HB LEU 16 -3.724 3.184 1.948 122 HB3 LEU 16 1HB LEU 16 -2.707 3.955 3.142 123 HG LEU 16 HG LEU 16 -4.947 3.576 4.007 124 HD11 LEU 16 1HD1 LEU 16 -4.454 6.516 3.524 125 HD12 LEU 16 2HD1 LEU 16 -3.693 5.541 4.776 126 HD13 LEU 16 3HD1 LEU 16 -5.436 5.810 4.809 127 HD21 LEU 16 1HD2 LEU 16 -5.905 5.455 1.869 128 HD22 LEU 16 2HD2 LEU 16 -6.890 4.663 3.110 129 HD23 LEU 16 3HD2 LEU 16 -6.079 3.708 1.846 130 H CYS 17 H CYS 17 -2.013 3.878 -0.427 131 HA CYS 17 HA CYS 17 0.542 5.125 0.129 132 HB2 CYS 17 2HB CYS 17 0.293 2.167 -0.464 133 HB3 CYS 17 1HB CYS 17 1.749 3.066 -0.261 134 H GLY 18 H GLY 18 0.853 6.291 -1.497 135 HA2 GLY 18 2HA GLY 18 1.002 5.021 -4.093 136 HA3 GLY 18 1HA GLY 18 0.041 6.502 -3.928 137 H ASP 19 H ASP 19 2.411 6.257 -5.489 138 HA ASP 19 HA ASP 19 4.002 7.643 -6.141 139 HB2 ASP 19 2HB ASP 19 2.835 9.395 -5.195 140 HB3 ASP 19 1HB ASP 19 3.384 9.061 -3.566 141 H LYS 20 H LYS 20 4.124 6.410 -3.056 142 HA LYS 20 HA LYS 20 7.059 6.209 -3.105 143 HB2 LYS 20 2HB LYS 20 5.223 6.256 -0.732 144 HB3 LYS 20 1HB LYS 20 6.987 6.198 -0.679 145 HG2 LYS 20 2HG LYS 20 7.083 8.307 -1.890 146 HG3 LYS 20 1HG LYS 20 5.344 8.354 -1.930 147 HD2 LYS 20 2HD LYS 20 5.213 8.436 0.461 148 HD3 LYS 20 1HD LYS 20 6.973 8.369 0.593 149 HE2 LYS 20 2HE LYS 20 6.080 10.694 0.794 150 HE3 LYS 20 1HE LYS 20 7.205 10.475 -0.546 151 HZ1 LYS 20 1HZ LYS 20 5.236 11.789 -1.145 152 HZ2 LYS 20 2HZ LYS 20 4.238 10.504 -0.834 153 HZ3 LYS 20 3HZ LYS 20 5.364 10.417 -2.091 154 H CYS 21 H CYS 21 4.148 4.357 -1.935 155 HA CYS 21 HA CYS 21 5.661 1.958 -2.595 156 HB2 CYS 21 2HB CYS 21 3.892 2.368 -0.199 157 HB3 CYS 21 1HB CYS 21 4.587 0.846 -0.712 158 H THR 22 H THR 22 4.406 0.412 -3.495 159 HA THR 22 HA THR 22 1.705 1.235 -4.058 160 HB THR 22 HB THR 22 3.372 -1.001 -5.287 161 HG1 THR 22 1HG THR 22 4.292 0.792 -6.008 162 HG21 THR 22 1HG2 THR 22 0.929 -1.370 -5.500 163 HG22 THR 22 2HG2 THR 22 1.679 -1.046 -7.064 164 HG23 THR 22 3HG2 THR 22 0.765 0.221 -6.248 165 H CYS 23 H CYS 23 -0.017 -0.089 -3.353 166 HA CYS 23 HA CYS 23 0.804 -2.121 -1.447 167 HB2 CYS 23 2HB CYS 23 -1.586 -1.701 -0.557 168 HB3 CYS 23 1HB CYS 23 -0.302 -0.562 -0.164 169 H VAL 24 H VAL 24 0.247 -4.127 -1.659 170 HA VAL 24 HA VAL 24 -1.437 -4.831 -3.959 171 HB VAL 24 HB VAL 24 0.591 -6.547 -2.492 172 HG11 VAL 24 1HG1 VAL 24 -0.873 -7.043 -5.077 173 HG12 VAL 24 2HG1 VAL 24 -1.153 -7.868 -3.545 174 HG13 VAL 24 3HG1 VAL 24 0.381 -8.077 -4.392 175 HG21 VAL 24 1HG2 VAL 24 1.715 -4.726 -3.647 176 HG22 VAL 24 2HG2 VAL 24 0.852 -5.113 -5.134 177 HG23 VAL 24 3HG2 VAL 24 2.026 -6.254 -4.473 178 HA PRO 25 HA PRO 25 -4.239 -6.039 -0.554 179 HB2 PRO 25 2HB PRO 25 -6.084 -6.473 -2.814 180 HB3 PRO 25 1HB PRO 25 -6.275 -5.436 -1.397 181 HG2 PRO 25 2HG PRO 25 -5.847 -4.381 -3.813 182 HG3 PRO 25 1HG PRO 25 -5.106 -3.677 -2.362 183 HD2 PRO 25 2HD PRO 25 -3.900 -5.504 -4.408 184 HD3 PRO 25 1HD PRO 25 -3.243 -4.013 -3.686 185 H LEU 26 H LEU 26 -4.290 -8.047 0.263 186 HA LEU 26 HA LEU 26 -4.557 -10.242 -1.602 187 HB2 LEU 26 2HB LEU 26 -2.927 -11.620 -0.442 188 HB3 LEU 26 1HB LEU 26 -2.191 -10.173 -1.076 189 HG LEU 26 HG LEU 26 -2.897 -10.590 1.836 190 HD11 LEU 26 1HD1 LEU 26 -0.268 -10.961 0.412 191 HD12 LEU 26 2HD1 LEU 26 -1.253 -12.226 1.145 192 HD13 LEU 26 3HD1 LEU 26 -0.496 -10.995 2.158 193 HD21 LEU 26 1HD2 LEU 26 -2.685 -8.249 1.213 194 HD22 LEU 26 2HD2 LEU 26 -1.112 -8.566 0.483 195 HD23 LEU 26 3HD2 LEU 26 -1.327 -8.738 2.228 196 HA PRO 27 HA PRO 27 -6.297 -10.315 -2.174 197 HB2 PRO 27 2HB PRO 27 -9.048 -10.995 -1.963 198 HB3 PRO 27 1HB PRO 27 -7.766 -11.994 -2.645 199 HG2 PRO 27 2HG PRO 27 -9.195 -12.617 -0.355 200 HG3 PRO 27 1HG PRO 27 -7.597 -13.267 -0.757 201 HD2 PRO 27 2HD PRO 27 -8.322 -10.999 1.054 202 HD3 PRO 27 1HD PRO 27 -7.106 -12.273 1.289 203 H ILE 28 H ILE 28 -7.753 -9.129 0.671 204 HA ILE 28 HA ILE 28 -9.236 -7.029 -0.773 205 HB ILE 28 HB ILE 28 -9.509 -7.850 2.128 206 HG12 ILE 28 2HG1 ILE 28 -10.265 -9.664 0.684 207 HG13 ILE 28 1HG1 ILE 28 -11.635 -8.892 1.472 208 HG21 ILE 28 1HG2 ILE 28 -11.568 -6.519 2.093 209 HG22 ILE 28 2HG2 ILE 28 -11.217 -6.033 0.434 210 HG23 ILE 28 3HG2 ILE 28 -10.142 -5.538 1.745 211 HD11 ILE 28 1HD1 ILE 28 -12.139 -9.433 -0.826 212 HD12 ILE 28 2HD1 ILE 28 -10.756 -8.494 -1.381 213 HD13 ILE 28 3HD1 ILE 28 -12.121 -7.682 -0.608 214 H PHE 29 H PHE 29 -7.368 -7.460 2.214 215 HA PHE 29 HA PHE 29 -6.564 -4.664 2.084 216 HB2 PHE 29 2HB PHE 29 -6.376 -6.726 4.285 217 HB3 PHE 29 1HB PHE 29 -5.614 -5.144 4.382 218 HD1 PHE 29 1HD PHE 29 -8.791 -6.963 4.398 219 HD2 PHE 29 2HD PHE 29 -6.914 -3.154 4.667 220 HE1 PHE 29 1HE PHE 29 -10.884 -5.985 5.231 221 HE2 PHE 29 2HE PHE 29 -9.000 -2.179 5.497 222 HZ PHE 29 HZ PHE 29 -10.987 -3.589 5.781 223 H GLY 30 H GLY 30 -4.370 -4.090 2.124 224 HA2 GLY 30 2HA GLY 30 -2.529 -6.276 1.626 225 HA3 GLY 30 1HA GLY 30 -2.714 -5.041 0.389 226 H LEU 31 H LEU 31 -0.336 -5.597 1.566 227 HA LEU 31 HA LEU 31 0.124 -3.472 3.477 228 HB2 LEU 31 2HB LEU 31 1.973 -5.579 2.355 229 HB3 LEU 31 1HB LEU 31 2.373 -4.435 3.614 230 HG LEU 31 HG LEU 31 0.322 -6.638 3.846 231 HD11 LEU 31 1HD1 LEU 31 1.933 -7.668 5.360 232 HD12 LEU 31 2HD1 LEU 31 3.088 -6.382 5.011 233 HD13 LEU 31 3HD1 LEU 31 2.594 -7.494 3.735 234 HD21 LEU 31 1HD2 LEU 31 0.304 -6.050 6.232 235 HD22 LEU 31 2HD2 LEU 31 -0.248 -4.711 5.230 236 HD23 LEU 31 3HD2 LEU 31 1.383 -4.694 5.901 237 H CYS 32 H CYS 32 1.790 -2.000 3.019 238 HA CYS 32 HA CYS 32 1.900 -1.256 0.227 239 HB2 CYS 32 2HB CYS 32 2.807 0.169 2.728 240 HB3 CYS 32 1HB CYS 32 2.766 0.851 1.104 241 H VAL 33 H VAL 33 3.646 -1.808 -0.935 242 HA VAL 33 HA VAL 33 6.065 -2.344 0.578 243 HB VAL 33 HB VAL 33 5.202 -4.463 -0.232 244 HG11 VAL 33 1HG1 VAL 33 3.794 -3.728 -2.046 245 HG12 VAL 33 2HG1 VAL 33 4.915 -4.964 -2.620 246 HG13 VAL 33 3HG1 VAL 33 5.210 -3.262 -2.986 247 HG21 VAL 33 1HG2 VAL 33 7.091 -5.245 -1.616 248 HG22 VAL 33 2HG2 VAL 33 7.609 -4.259 -0.250 249 HG23 VAL 33 3HG2 VAL 33 7.570 -3.565 -1.871 250 HA PRO 34 HA PRO 34 7.741 0.900 -1.952 251 HB2 PRO 34 2HB PRO 34 10.377 0.435 -1.287 252 HB3 PRO 34 1HB PRO 34 9.268 1.403 -0.310 253 HG2 PRO 34 2HG PRO 34 10.120 -1.425 0.015 254 HG3 PRO 34 1HG PRO 34 9.837 -0.197 1.265 255 HD2 PRO 34 2HD PRO 34 8.087 -2.169 0.714 256 HD3 PRO 34 1HD PRO 34 7.559 -0.562 1.252 257 H ASP 35 H ASP 35 7.791 0.584 -3.990 258 HA ASP 35 HA ASP 35 8.254 -1.760 -5.375 259 HB2 ASP 35 2HB ASP 35 8.374 1.073 -6.400 260 HB3 ASP 35 1HB ASP 35 8.333 -0.353 -7.424 261 H VAL 36 H VAL 36 10.547 0.788 -4.628 262 HA VAL 36 HA VAL 36 12.544 -0.914 -5.846 263 HB VAL 36 HB VAL 36 14.036 1.191 -5.946 264 HG11 VAL 36 1HG1 VAL 36 11.558 1.054 -7.661 265 HG12 VAL 36 2HG1 VAL 36 13.065 0.175 -7.930 266 HG13 VAL 36 3HG1 VAL 36 13.033 1.932 -8.062 267 HG21 VAL 36 1HG2 VAL 36 11.349 2.554 -5.644 268 HG22 VAL 36 2HG2 VAL 36 12.858 3.346 -6.098 269 HG23 VAL 36 3HG2 VAL 36 12.682 2.639 -4.492 Start of MODEL 3 1 H1 LEU 1 1HT LEU 1 16.020 6.130 0.516 2 H2 LEU 1 2HT LEU 1 14.989 6.261 1.872 3 H3 LEU 1 3HT LEU 1 14.873 7.360 0.632 4 HA LEU 1 HA LEU 1 14.146 5.694 -0.878 5 HB2 LEU 1 2HB LEU 1 14.153 3.896 1.572 6 HB3 LEU 1 1HB LEU 1 13.389 3.504 0.055 7 HG LEU 1 HG LEU 1 15.743 3.595 -0.971 8 HD11 LEU 1 1HD1 LEU 1 17.601 3.142 0.534 9 HD12 LEU 1 2HD1 LEU 1 16.550 3.393 1.922 10 HD13 LEU 1 3HD1 LEU 1 16.918 4.735 0.843 11 HD21 LEU 1 1HD2 LEU 1 15.064 1.474 1.051 12 HD22 LEU 1 2HD2 LEU 1 16.231 1.310 -0.259 13 HD23 LEU 1 3HD2 LEU 1 14.520 1.539 -0.623 14 HA PRO 2 HA PRO 2 10.260 7.379 0.646 15 HB2 PRO 2 2HB PRO 2 9.036 5.667 -1.424 16 HB3 PRO 2 1HB PRO 2 8.951 7.423 -1.243 17 HG2 PRO 2 2HG PRO 2 10.374 6.324 -3.214 18 HG3 PRO 2 1HG PRO 2 10.934 7.772 -2.350 19 HD2 PRO 2 2HD PRO 2 11.822 4.930 -2.034 20 HD3 PRO 2 1HD PRO 2 12.776 6.432 -2.076 21 H ARG 3 H ARG 3 8.932 6.731 2.112 22 HA ARG 3 HA ARG 3 8.763 3.841 2.564 23 HB2 ARG 3 2HB ARG 3 8.212 6.007 4.576 24 HB3 ARG 3 1HB ARG 3 8.342 4.281 4.852 25 HG2 ARG 3 2HG ARG 3 10.740 4.450 4.165 26 HG3 ARG 3 1HG ARG 3 10.536 6.203 4.187 27 HD2 ARG 3 2HD ARG 3 10.249 4.282 6.482 28 HD3 ARG 3 1HD ARG 3 11.426 5.576 6.287 29 HE ARG 3 HE ARG 3 8.562 6.198 6.504 30 HH11 ARG 3 1HH1 ARG 3 11.876 6.613 7.705 31 HH12 ARG 3 2HH1 ARG 3 11.428 7.611 9.000 32 HH21 ARG 3 1HH2 ARG 3 7.944 7.479 8.290 33 HH22 ARG 3 2HH2 ARG 3 9.107 8.164 9.340 34 H CYS 4 H CYS 4 6.710 3.222 3.609 35 HA CYS 4 HA CYS 4 4.550 4.373 2.088 36 HB2 CYS 4 2HB CYS 4 4.594 1.991 3.942 37 HB3 CYS 4 1HB CYS 4 3.310 2.419 2.813 38 H ASP 5 H ASP 5 5.246 3.609 5.522 39 HA ASP 5 HA ASP 5 4.491 4.419 7.468 40 HB2 ASP 5 2HB ASP 5 4.247 6.926 5.791 41 HB3 ASP 5 1HB ASP 5 3.884 6.918 7.514 42 H SER 6 H SER 6 2.702 3.079 5.719 43 HA SER 6 HA SER 6 0.132 4.259 6.292 44 HB2 SER 6 2HB SER 6 -0.535 2.388 4.677 45 HB3 SER 6 1HB SER 6 0.382 3.743 4.009 46 HG SER 6 HG SER 6 1.175 1.694 3.371 47 HA PRO 7 HA PRO 7 -0.190 1.156 9.518 48 HB2 PRO 7 2HB PRO 7 -2.846 1.550 10.069 49 HB3 PRO 7 1HB PRO 7 -1.562 2.588 10.693 50 HG2 PRO 7 2HG PRO 7 -3.405 3.039 8.393 51 HG3 PRO 7 1HG PRO 7 -2.799 4.192 9.591 52 HD2 PRO 7 2HD PRO 7 -1.817 3.994 7.064 53 HD3 PRO 7 1HD PRO 7 -0.841 4.535 8.446 54 H PHE 8 H PHE 8 -2.145 1.411 6.654 55 HA PHE 8 HA PHE 8 -2.228 -1.382 6.236 56 HB2 PHE 8 2HB PHE 8 -4.652 -1.697 6.276 57 HB3 PHE 8 1HB PHE 8 -4.146 -1.135 7.860 58 HD1 PHE 8 1HD PHE 8 -4.644 1.239 8.535 59 HD2 PHE 8 2HD PHE 8 -6.173 -0.445 4.934 60 HE1 PHE 8 1HE PHE 8 -6.309 3.043 8.387 61 HE2 PHE 8 2HE PHE 8 -7.840 1.361 4.800 62 HZ PHE 8 HZ PHE 8 -7.901 3.100 6.525 63 H CYS 9 H CYS 9 -3.527 -1.731 4.144 64 HA CYS 9 HA CYS 9 -4.232 0.607 2.663 65 HB2 CYS 9 2HB CYS 9 -1.758 0.187 2.164 66 HB3 CYS 9 1HB CYS 9 -2.242 -1.370 1.488 67 H SER 10 H SER 10 -5.445 -0.150 0.748 68 HA SER 10 HA SER 10 -6.340 -2.902 0.839 69 HB2 SER 10 2HB SER 10 -8.751 -2.183 1.152 70 HB3 SER 10 1HB SER 10 -7.746 -1.996 2.590 71 HG SER 10 HG SER 10 -7.419 0.203 1.798 72 H LEU 11 H LEU 11 -8.059 -3.221 -0.982 73 HA LEU 11 HA LEU 11 -7.057 -1.903 -3.261 74 HB2 LEU 11 2HB LEU 11 -8.656 -3.137 -4.590 75 HB3 LEU 11 1HB LEU 11 -7.934 -4.199 -3.408 76 HG LEU 11 HG LEU 11 -10.625 -2.961 -2.950 77 HD11 LEU 11 1HD1 LEU 11 -11.613 -5.037 -3.883 78 HD12 LEU 11 2HD1 LEU 11 -10.003 -5.575 -4.360 79 HD13 LEU 11 3HD1 LEU 11 -10.714 -4.147 -5.113 80 HD21 LEU 11 1HD2 LEU 11 -9.280 -5.450 -1.932 81 HD22 LEU 11 2HD2 LEU 11 -10.964 -5.039 -1.638 82 HD23 LEU 11 3HD2 LEU 11 -9.697 -4.005 -0.996 83 H PHE 12 H PHE 12 -9.580 -1.264 -1.102 84 HA PHE 12 HA PHE 12 -10.972 0.569 -2.834 85 HB2 PHE 12 2HB PHE 12 -11.261 0.212 0.159 86 HB3 PHE 12 1HB PHE 12 -12.393 1.030 -0.910 87 HD1 PHE 12 1HD PHE 12 -11.942 -1.862 0.878 88 HD2 PHE 12 2HD PHE 12 -13.054 -0.593 -3.033 89 HE1 PHE 12 1HE PHE 12 -13.115 -3.990 0.523 90 HE2 PHE 12 2HE PHE 12 -14.229 -2.719 -3.389 91 HZ PHE 12 HZ PHE 12 -14.267 -4.420 -1.615 92 H ARG 13 H ARG 13 -8.869 0.819 0.035 93 HA ARG 13 HA ARG 13 -8.375 3.608 -0.717 94 HB2 ARG 13 2HB ARG 13 -8.167 2.237 1.959 95 HB3 ARG 13 1HB ARG 13 -7.288 3.716 1.632 96 HG2 ARG 13 2HG ARG 13 -9.285 4.264 2.811 97 HG3 ARG 13 1HG ARG 13 -9.457 4.829 1.155 98 HD2 ARG 13 2HD ARG 13 -10.762 2.800 0.645 99 HD3 ARG 13 1HD ARG 13 -10.617 2.335 2.342 100 HE ARG 13 HE ARG 13 -11.718 4.940 1.848 101 HH11 ARG 13 1HH1 ARG 13 -12.396 1.534 2.506 102 HH12 ARG 13 2HH1 ARG 13 -14.003 1.843 2.979 103 HH21 ARG 13 1HH2 ARG 13 -13.901 5.318 2.526 104 HH22 ARG 13 2HH2 ARG 13 -14.869 3.986 2.993 105 H ILE 14 H ILE 14 -6.883 3.290 -2.259 106 HA ILE 14 HA ILE 14 -4.449 1.845 -1.500 107 HB ILE 14 HB ILE 14 -3.776 2.057 -3.875 108 HG12 ILE 14 2HG1 ILE 14 -6.515 3.266 -4.292 109 HG13 ILE 14 1HG1 ILE 14 -4.991 4.138 -4.387 110 HG21 ILE 14 1HG2 ILE 14 -4.947 0.053 -3.187 111 HG22 ILE 14 2HG2 ILE 14 -5.399 0.488 -4.835 112 HG23 ILE 14 3HG2 ILE 14 -6.500 0.827 -3.499 113 HD11 ILE 14 1HD1 ILE 14 -5.878 3.593 -6.580 114 HD12 ILE 14 2HD1 ILE 14 -5.835 1.877 -6.175 115 HD13 ILE 14 3HD1 ILE 14 -4.331 2.792 -6.296 116 H GLY 15 H GLY 15 -5.743 4.844 -1.410 117 HA2 GLY 15 2HA GLY 15 -3.698 6.548 -2.325 118 HA3 GLY 15 1HA GLY 15 -4.952 6.977 -1.173 119 H LEU 16 H LEU 16 -3.811 4.545 0.382 120 HA LEU 16 HA LEU 16 -2.136 6.049 2.112 121 HB2 LEU 16 2HB LEU 16 -2.759 3.099 2.011 122 HB3 LEU 16 1HB LEU 16 -1.683 3.791 3.193 123 HG LEU 16 HG LEU 16 -3.766 3.410 4.241 124 HD11 LEU 16 1HD1 LEU 16 -4.439 5.608 5.004 125 HD12 LEU 16 2HD1 LEU 16 -3.542 6.345 3.681 126 HD13 LEU 16 3HD1 LEU 16 -2.686 5.433 4.927 127 HD21 LEU 16 1HD2 LEU 16 -5.885 4.385 3.485 128 HD22 LEU 16 2HD2 LEU 16 -5.213 3.257 2.306 129 HD23 LEU 16 3HD2 LEU 16 -5.078 4.997 2.040 130 H CYS 17 H CYS 17 -1.569 4.031 -0.662 131 HA CYS 17 HA CYS 17 1.246 4.612 -0.403 132 HB2 CYS 17 2HB CYS 17 0.332 1.786 -1.040 133 HB3 CYS 17 1HB CYS 17 1.958 2.375 -0.891 134 H GLY 18 H GLY 18 0.954 6.063 -2.044 135 HA2 GLY 18 2HA GLY 18 0.760 4.821 -4.689 136 HA3 GLY 18 1HA GLY 18 -0.056 6.345 -4.330 137 H ASP 19 H ASP 19 2.553 5.249 -5.858 138 HA ASP 19 HA ASP 19 4.417 6.125 -6.658 139 HB2 ASP 19 2HB ASP 19 3.323 8.127 -6.908 140 HB3 ASP 19 1HB ASP 19 3.415 8.553 -5.210 141 H LYS 20 H LYS 20 3.879 6.120 -3.392 142 HA LYS 20 HA LYS 20 6.692 6.349 -2.628 143 HB2 LYS 20 2HB LYS 20 4.319 5.701 -0.873 144 HB3 LYS 20 1HB LYS 20 5.891 6.303 -0.358 145 HG2 LYS 20 2HG LYS 20 3.906 7.824 -2.042 146 HG3 LYS 20 1HG LYS 20 4.163 8.054 -0.316 147 HD2 LYS 20 2HD LYS 20 6.423 8.821 -0.714 148 HD3 LYS 20 1HD LYS 20 6.297 8.405 -2.421 149 HE2 LYS 20 2HE LYS 20 4.574 10.466 -1.053 150 HE3 LYS 20 1HE LYS 20 6.045 10.854 -1.940 151 HZ1 LYS 20 1HZ LYS 20 3.606 9.583 -3.089 152 HZ2 LYS 20 2HZ LYS 20 5.014 9.958 -3.956 153 HZ3 LYS 20 3HZ LYS 20 4.085 11.174 -3.291 154 H CYS 21 H CYS 21 4.078 3.951 -2.745 155 HA CYS 21 HA CYS 21 5.775 1.859 -3.412 156 HB2 CYS 21 2HB CYS 21 5.005 0.468 -1.414 157 HB3 CYS 21 1HB CYS 21 6.335 1.552 -1.098 158 H THR 22 H THR 22 4.288 -0.137 -3.454 159 HA THR 22 HA THR 22 1.548 0.779 -4.016 160 HB THR 22 HB THR 22 3.111 -1.405 -5.448 161 HG1 THR 22 1HG THR 22 3.980 0.449 -6.198 162 HG21 THR 22 1HG2 THR 22 0.439 -0.123 -6.097 163 HG22 THR 22 2HG2 THR 22 0.654 -1.748 -5.451 164 HG23 THR 22 3HG2 THR 22 1.250 -1.355 -7.064 165 H CYS 23 H CYS 23 -0.130 -0.581 -3.158 166 HA CYS 23 HA CYS 23 0.948 -2.647 -1.417 167 HB2 CYS 23 2HB CYS 23 -1.127 -2.529 -0.128 168 HB3 CYS 23 1HB CYS 23 -0.348 -0.959 -0.205 169 H VAL 24 H VAL 24 0.186 -4.654 -1.373 170 HA VAL 24 HA VAL 24 -1.356 -5.424 -3.748 171 HB VAL 24 HB VAL 24 0.352 -7.201 -1.972 172 HG11 VAL 24 1HG1 VAL 24 0.181 -8.821 -3.806 173 HG12 VAL 24 2HG1 VAL 24 -0.868 -7.707 -4.683 174 HG13 VAL 24 3HG1 VAL 24 -1.403 -8.400 -3.153 175 HG21 VAL 24 1HG2 VAL 24 2.019 -7.177 -3.772 176 HG22 VAL 24 2HG2 VAL 24 1.766 -5.563 -3.106 177 HG23 VAL 24 3HG2 VAL 24 1.047 -6.000 -4.656 178 HA PRO 25 HA PRO 25 -4.333 -5.999 -0.332 179 HB2 PRO 25 2HB PRO 25 -6.367 -5.638 -2.368 180 HB3 PRO 25 1HB PRO 25 -6.006 -4.604 -0.986 181 HG2 PRO 25 2HG PRO 25 -5.546 -3.828 -3.539 182 HG3 PRO 25 1HG PRO 25 -4.542 -3.291 -2.182 183 HD2 PRO 25 2HD PRO 25 -4.022 -5.479 -4.165 184 HD3 PRO 25 1HD PRO 25 -2.927 -4.210 -3.561 185 H LEU 26 H LEU 26 -4.672 -7.986 0.242 186 HA LEU 26 HA LEU 26 -5.961 -9.715 -1.578 187 HB2 LEU 26 2HB LEU 26 -4.201 -11.581 -1.060 188 HB3 LEU 26 1HB LEU 26 -3.956 -10.386 -2.316 189 HG LEU 26 HG LEU 26 -2.423 -9.150 -0.776 190 HD11 LEU 26 1HD1 LEU 26 -3.185 -9.960 1.372 191 HD12 LEU 26 2HD1 LEU 26 -1.465 -10.282 1.141 192 HD13 LEU 26 3HD1 LEU 26 -2.639 -11.587 0.965 193 HD21 LEU 26 1HD2 LEU 26 -1.559 -10.608 -2.489 194 HD22 LEU 26 2HD2 LEU 26 -1.689 -11.995 -1.408 195 HD23 LEU 26 3HD2 LEU 26 -0.552 -10.696 -1.044 196 HA PRO 27 HA PRO 27 -7.750 -10.199 -1.661 197 HB2 PRO 27 2HB PRO 27 -10.246 -10.127 -0.188 198 HB3 PRO 27 1HB PRO 27 -9.725 -11.301 -1.394 199 HG2 PRO 27 2HG PRO 27 -10.018 -11.961 1.202 200 HG3 PRO 27 1HG PRO 27 -8.748 -12.680 0.194 201 HD2 PRO 27 2HD PRO 27 -8.566 -10.396 2.117 202 HD3 PRO 27 1HD PRO 27 -7.503 -11.816 1.981 203 H ILE 28 H ILE 28 -8.416 -8.569 1.402 204 HA ILE 28 HA ILE 28 -9.532 -6.288 -0.054 205 HB ILE 28 HB ILE 28 -9.707 -6.893 2.913 206 HG12 ILE 28 2HG1 ILE 28 -11.823 -7.163 0.757 207 HG13 ILE 28 1HG1 ILE 28 -10.964 -8.509 1.494 208 HG21 ILE 28 1HG2 ILE 28 -11.377 -5.107 2.947 209 HG22 ILE 28 2HG2 ILE 28 -11.093 -4.798 1.232 210 HG23 ILE 28 3HG2 ILE 28 -9.810 -4.504 2.403 211 HD11 ILE 28 1HD1 ILE 28 -13.186 -8.246 2.441 212 HD12 ILE 28 2HD1 ILE 28 -12.804 -6.591 2.913 213 HD13 ILE 28 3HD1 ILE 28 -11.948 -7.941 3.659 214 H PHE 29 H PHE 29 -7.449 -6.975 2.722 215 HA PHE 29 HA PHE 29 -6.153 -4.401 2.319 216 HB2 PHE 29 2HB PHE 29 -6.122 -6.276 4.692 217 HB3 PHE 29 1HB PHE 29 -5.215 -4.774 4.594 218 HD1 PHE 29 1HD PHE 29 -8.455 -6.288 5.179 219 HD2 PHE 29 2HD PHE 29 -6.397 -2.626 4.570 220 HE1 PHE 29 1HE PHE 29 -10.392 -5.062 6.054 221 HE2 PHE 29 2HE PHE 29 -8.342 -1.382 5.454 222 HZ PHE 29 HZ PHE 29 -10.340 -2.608 6.192 223 H GLY 30 H GLY 30 -3.801 -4.388 2.640 224 HA2 GLY 30 2HA GLY 30 -2.399 -6.839 2.324 225 HA3 GLY 30 1HA GLY 30 -2.479 -5.904 0.836 226 H LEU 31 H LEU 31 -0.102 -6.254 1.568 227 HA LEU 31 HA LEU 31 0.739 -4.125 3.350 228 HB2 LEU 31 2HB LEU 31 2.995 -5.223 3.178 229 HB3 LEU 31 1HB LEU 31 1.746 -6.178 3.928 230 HG LEU 31 HG LEU 31 1.523 -7.426 1.722 231 HD11 LEU 31 1HD1 LEU 31 2.612 -5.848 0.235 232 HD12 LEU 31 2HD1 LEU 31 3.413 -7.419 0.193 233 HD13 LEU 31 3HD1 LEU 31 4.142 -6.082 1.083 234 HD21 LEU 31 1HD2 LEU 31 4.135 -7.580 3.209 235 HD22 LEU 31 2HD2 LEU 31 3.479 -8.836 2.157 236 HD23 LEU 31 3HD2 LEU 31 2.629 -8.394 3.638 237 H CYS 32 H CYS 32 2.479 -2.691 2.703 238 HA CYS 32 HA CYS 32 2.250 -2.055 -0.129 239 HB2 CYS 32 2HB CYS 32 3.096 -0.375 2.224 240 HB3 CYS 32 1HB CYS 32 3.118 0.169 0.554 241 H VAL 33 H VAL 33 3.868 -2.394 -1.433 242 HA VAL 33 HA VAL 33 6.461 -2.996 -0.257 243 HB VAL 33 HB VAL 33 5.452 -4.984 -1.288 244 HG11 VAL 33 1HG1 VAL 33 5.299 -3.398 -3.840 245 HG12 VAL 33 2HG1 VAL 33 3.938 -3.956 -2.869 246 HG13 VAL 33 3HG1 VAL 33 4.976 -5.124 -3.689 247 HG21 VAL 33 1HG2 VAL 33 7.709 -3.879 -2.946 248 HG22 VAL 33 2HG2 VAL 33 7.205 -5.567 -2.923 249 HG23 VAL 33 3HG2 VAL 33 7.858 -4.822 -1.463 250 HA PRO 34 HA PRO 34 7.844 0.658 -2.423 251 HB2 PRO 34 2HB PRO 34 10.529 -0.031 -2.479 252 HB3 PRO 34 1HB PRO 34 9.732 0.773 -1.125 253 HG2 PRO 34 2HG PRO 34 10.382 -2.118 -1.496 254 HG3 PRO 34 1HG PRO 34 10.477 -1.126 -0.029 255 HD2 PRO 34 2HD PRO 34 8.474 -2.847 -0.449 256 HD3 PRO 34 1HD PRO 34 8.204 -1.295 0.374 257 H ASP 35 H ASP 35 8.483 1.190 -4.461 258 HA ASP 35 HA ASP 35 8.537 -1.024 -6.354 259 HB2 ASP 35 2HB ASP 35 7.792 1.871 -6.669 260 HB3 ASP 35 1HB ASP 35 8.093 0.838 -8.061 261 H VAL 36 H VAL 36 10.638 0.840 -4.793 262 HA VAL 36 HA VAL 36 12.481 0.951 -7.018 263 HB VAL 36 HB VAL 36 14.043 2.143 -5.391 264 HG11 VAL 36 1HG1 VAL 36 12.819 4.271 -5.448 265 HG12 VAL 36 2HG1 VAL 36 11.340 3.396 -5.853 266 HG13 VAL 36 3HG1 VAL 36 12.702 3.396 -6.974 267 HG21 VAL 36 1HG2 VAL 36 11.584 2.177 -3.613 268 HG22 VAL 36 2HG2 VAL 36 13.055 3.107 -3.333 269 HG23 VAL 36 3HG2 VAL 36 13.101 1.346 -3.265 Start of MODEL 4 1 H1 LEU 1 1HT LEU 1 15.953 7.994 1.778 2 H2 LEU 1 2HT LEU 1 17.211 6.961 1.327 3 H3 LEU 1 3HT LEU 1 16.257 6.618 2.690 4 HA LEU 1 HA LEU 1 15.245 6.685 -0.056 5 HB2 LEU 1 2HB LEU 1 15.917 4.380 1.777 6 HB3 LEU 1 1HB LEU 1 14.956 4.216 0.324 7 HG LEU 1 HG LEU 1 17.789 5.215 0.334 8 HD11 LEU 1 1HD1 LEU 1 17.709 2.911 1.144 9 HD12 LEU 1 2HD1 LEU 1 18.386 2.976 -0.485 10 HD13 LEU 1 3HD1 LEU 1 16.716 2.460 -0.241 11 HD21 LEU 1 1HD2 LEU 1 17.694 4.718 -2.054 12 HD22 LEU 1 2HD2 LEU 1 16.471 5.902 -1.602 13 HD23 LEU 1 3HD2 LEU 1 16.012 4.223 -1.886 14 HA PRO 2 HA PRO 2 11.412 7.250 2.079 15 HB2 PRO 2 2HB PRO 2 9.724 6.630 0.077 16 HB3 PRO 2 1HB PRO 2 10.662 8.129 0.075 17 HG2 PRO 2 2HG PRO 2 11.181 5.567 -1.378 18 HG3 PRO 2 1HG PRO 2 11.334 7.232 -1.965 19 HD2 PRO 2 2HD PRO 2 13.476 5.740 -1.135 20 HD3 PRO 2 1HD PRO 2 13.414 7.504 -1.003 21 H ARG 3 H ARG 3 9.697 6.158 2.905 22 HA ARG 3 HA ARG 3 9.844 3.237 2.740 23 HB2 ARG 3 2HB ARG 3 8.983 4.973 5.068 24 HB3 ARG 3 1HB ARG 3 9.022 3.219 5.043 25 HG2 ARG 3 2HG ARG 3 11.451 3.267 4.808 26 HG3 ARG 3 1HG ARG 3 11.416 5.029 4.829 27 HD2 ARG 3 2HD ARG 3 11.989 4.247 7.025 28 HD3 ARG 3 1HD ARG 3 10.362 4.921 7.078 29 HE ARG 3 HE ARG 3 10.898 2.038 6.885 30 HH11 ARG 3 1HH1 ARG 3 9.045 4.711 8.301 31 HH12 ARG 3 2HH1 ARG 3 8.192 3.716 9.365 32 HH21 ARG 3 1HH2 ARG 3 9.758 0.712 8.334 33 HH22 ARG 3 2HH2 ARG 3 8.584 1.342 9.403 34 H CYS 4 H CYS 4 7.540 2.437 3.642 35 HA CYS 4 HA CYS 4 5.628 3.775 1.893 36 HB2 CYS 4 2HB CYS 4 5.503 1.048 3.177 37 HB3 CYS 4 1HB CYS 4 4.345 1.708 2.023 38 H ASP 5 H ASP 5 5.905 2.462 5.168 39 HA ASP 5 HA ASP 5 4.854 2.868 7.101 40 HB2 ASP 5 2HB ASP 5 4.629 5.545 5.787 41 HB3 ASP 5 1HB ASP 5 3.795 5.261 7.306 42 H SER 6 H SER 6 3.333 1.502 5.165 43 HA SER 6 HA SER 6 0.700 2.636 5.331 44 HB2 SER 6 2HB SER 6 0.028 0.563 4.066 45 HB3 SER 6 1HB SER 6 1.206 1.585 3.252 46 HG SER 6 HG SER 6 2.414 -0.275 4.817 47 HA PRO 7 HA PRO 7 -0.123 0.305 9.086 48 HB2 PRO 7 2HB PRO 7 -2.666 1.310 9.433 49 HB3 PRO 7 1HB PRO 7 -1.223 2.125 10.018 50 HG2 PRO 7 2HG PRO 7 -2.899 2.721 7.646 51 HG3 PRO 7 1HG PRO 7 -1.959 3.821 8.664 52 HD2 PRO 7 2HD PRO 7 -1.207 2.942 6.157 53 HD3 PRO 7 1HD PRO 7 -0.092 3.576 7.381 54 H PHE 8 H PHE 8 -2.025 0.751 6.234 55 HA PHE 8 HA PHE 8 -2.594 -1.955 5.803 56 HB2 PHE 8 2HB PHE 8 -5.030 -1.851 5.952 57 HB3 PHE 8 1HB PHE 8 -4.382 -1.404 7.522 58 HD1 PHE 8 1HD PHE 8 -4.430 0.984 8.240 59 HD2 PHE 8 2HD PHE 8 -6.343 -0.299 4.656 60 HE1 PHE 8 1HE PHE 8 -5.724 3.067 8.175 61 HE2 PHE 8 2HE PHE 8 -7.633 1.786 4.593 62 HZ PHE 8 HZ PHE 8 -7.320 3.477 6.352 63 H CYS 9 H CYS 9 -3.974 -1.959 3.759 64 HA CYS 9 HA CYS 9 -4.579 0.446 2.429 65 HB2 CYS 9 2HB CYS 9 -2.083 0.165 1.957 66 HB3 CYS 9 1HB CYS 9 -2.477 -1.355 1.154 67 H SER 10 H SER 10 -5.656 -0.269 0.306 68 HA SER 10 HA SER 10 -6.495 -3.055 0.386 69 HB2 SER 10 2HB SER 10 -8.447 -0.773 0.742 70 HB3 SER 10 1HB SER 10 -8.872 -2.471 0.515 71 HG SER 10 HG SER 10 -7.239 -2.555 2.438 72 H LEU 11 H LEU 11 -7.951 -3.529 -1.497 73 HA LEU 11 HA LEU 11 -7.038 -2.281 -3.846 74 HB2 LEU 11 2HB LEU 11 -8.669 -3.636 -5.063 75 HB3 LEU 11 1HB LEU 11 -7.797 -4.610 -3.913 76 HG LEU 11 HG LEU 11 -10.572 -3.572 -3.356 77 HD11 LEU 11 1HD1 LEU 11 -9.761 -6.198 -4.619 78 HD12 LEU 11 2HD1 LEU 11 -10.633 -4.891 -5.418 79 HD13 LEU 11 3HD1 LEU 11 -11.392 -5.779 -4.097 80 HD21 LEU 11 1HD2 LEU 11 -8.926 -5.826 -2.183 81 HD22 LEU 11 2HD2 LEU 11 -10.646 -5.623 -1.913 82 HD23 LEU 11 3HD2 LEU 11 -9.541 -4.391 -1.340 83 H PHE 12 H PHE 12 -9.667 -1.716 -1.731 84 HA PHE 12 HA PHE 12 -11.130 0.021 -3.517 85 HB2 PHE 12 2HB PHE 12 -11.430 -0.232 -0.516 86 HB3 PHE 12 1HB PHE 12 -12.607 0.401 -1.654 87 HD1 PHE 12 1HD PHE 12 -11.933 -2.262 0.382 88 HD2 PHE 12 2HD PHE 12 -13.131 -1.448 -3.624 89 HE1 PHE 12 1HE PHE 12 -12.935 -4.499 0.227 90 HE2 PHE 12 2HE PHE 12 -14.132 -3.679 -3.777 91 HZ PHE 12 HZ PHE 12 -14.037 -5.212 -1.853 92 H ARG 13 H ARG 13 -8.762 0.273 -0.976 93 HA ARG 13 HA ARG 13 -8.742 3.204 -1.258 94 HB2 ARG 13 2HB ARG 13 -8.077 1.699 1.278 95 HB3 ARG 13 1HB ARG 13 -8.252 3.429 1.088 96 HG2 ARG 13 2HG ARG 13 -10.429 1.355 1.018 97 HG3 ARG 13 1HG ARG 13 -10.153 2.554 2.275 98 HD2 ARG 13 2HD ARG 13 -10.982 3.083 -0.575 99 HD3 ARG 13 1HD ARG 13 -12.018 3.194 0.844 100 HE ARG 13 HE ARG 13 -9.976 4.898 1.357 101 HH11 ARG 13 1HH1 ARG 13 -12.275 4.585 -1.333 102 HH12 ARG 13 2HH1 ARG 13 -12.315 6.264 -1.640 103 HH21 ARG 13 1HH2 ARG 13 -10.033 7.174 0.874 104 HH22 ARG 13 2HH2 ARG 13 -11.045 7.732 -0.392 105 H ILE 14 H ILE 14 -7.116 3.045 -2.789 106 HA ILE 14 HA ILE 14 -4.592 1.872 -1.863 107 HB ILE 14 HB ILE 14 -3.775 2.207 -4.194 108 HG12 ILE 14 2HG1 ILE 14 -6.655 2.905 -4.800 109 HG13 ILE 14 1HG1 ILE 14 -5.314 4.044 -4.812 110 HG21 ILE 14 1HG2 ILE 14 -5.042 0.373 -5.196 111 HG22 ILE 14 2HG2 ILE 14 -6.253 0.526 -3.923 112 HG23 ILE 14 3HG2 ILE 14 -4.604 0.047 -3.521 113 HD11 ILE 14 1HD1 ILE 14 -4.294 2.797 -6.639 114 HD12 ILE 14 2HD1 ILE 14 -5.923 3.349 -7.047 115 HD13 ILE 14 3HD1 ILE 14 -5.644 1.661 -6.606 116 H GLY 15 H GLY 15 -6.179 4.658 -1.768 117 HA2 GLY 15 2HA GLY 15 -4.306 6.618 -2.505 118 HA3 GLY 15 1HA GLY 15 -5.621 6.845 -1.373 119 H LEU 16 H LEU 16 -4.286 4.450 0.040 120 HA LEU 16 HA LEU 16 -2.960 5.764 2.112 121 HB2 LEU 16 2HB LEU 16 -2.934 2.907 1.192 122 HB3 LEU 16 1HB LEU 16 -1.878 3.416 2.483 123 HG LEU 16 HG LEU 16 -3.878 2.321 3.328 124 HD11 LEU 16 1HD1 LEU 16 -3.738 5.234 3.996 125 HD12 LEU 16 2HD1 LEU 16 -2.829 3.919 4.738 126 HD13 LEU 16 3HD1 LEU 16 -4.579 4.009 4.944 127 HD21 LEU 16 1HD2 LEU 16 -6.086 3.382 3.170 128 HD22 LEU 16 2HD2 LEU 16 -5.481 2.916 1.581 129 HD23 LEU 16 3HD2 LEU 16 -5.419 4.603 2.089 130 H CYS 17 H CYS 17 -1.653 4.351 -0.851 131 HA CYS 17 HA CYS 17 0.915 5.599 -0.209 132 HB2 CYS 17 2HB CYS 17 0.561 2.821 -1.330 133 HB3 CYS 17 1HB CYS 17 2.091 3.641 -1.052 134 H GLY 18 H GLY 18 1.887 6.556 -1.933 135 HA2 GLY 18 2HA GLY 18 1.020 5.910 -4.600 136 HA3 GLY 18 1HA GLY 18 0.651 7.533 -4.034 137 H ASP 19 H ASP 19 2.512 6.463 -6.114 138 HA ASP 19 HA ASP 19 4.257 7.269 -7.190 139 HB2 ASP 19 2HB ASP 19 3.785 9.356 -6.370 140 HB3 ASP 19 1HB ASP 19 4.487 9.053 -4.789 141 H LYS 20 H LYS 20 4.660 6.242 -4.061 142 HA LYS 20 HA LYS 20 7.462 5.497 -4.629 143 HB2 LYS 20 2HB LYS 20 6.307 5.919 -1.881 144 HB3 LYS 20 1HB LYS 20 8.006 5.798 -2.334 145 HG2 LYS 20 2HG LYS 20 7.785 7.849 -3.668 146 HG3 LYS 20 1HG LYS 20 6.112 7.983 -3.156 147 HD2 LYS 20 2HD LYS 20 6.961 8.030 -0.819 148 HD3 LYS 20 1HD LYS 20 8.589 8.221 -1.481 149 HE2 LYS 20 2HE LYS 20 6.235 10.088 -1.874 150 HE3 LYS 20 1HE LYS 20 7.724 10.434 -1.005 151 HZ1 LYS 20 1HZ LYS 20 7.746 11.450 -3.190 152 HZ2 LYS 20 2HZ LYS 20 7.467 9.997 -3.951 153 HZ3 LYS 20 3HZ LYS 20 8.925 10.256 -3.134 154 H CYS 21 H CYS 21 4.543 4.397 -2.910 155 HA CYS 21 HA CYS 21 5.490 1.655 -3.337 156 HB2 CYS 21 2HB CYS 21 3.936 2.624 -0.927 157 HB3 CYS 21 1HB CYS 21 4.557 1.011 -1.232 158 H THR 22 H THR 22 3.844 0.137 -3.679 159 HA THR 22 HA THR 22 1.134 1.173 -4.121 160 HB THR 22 HB THR 22 2.600 -0.964 -5.721 161 HG1 THR 22 1HG THR 22 3.433 0.913 -6.402 162 HG21 THR 22 1HG2 THR 22 0.646 -0.849 -7.227 163 HG22 THR 22 2HG2 THR 22 -0.110 0.323 -6.142 164 HG23 THR 22 3HG2 THR 22 0.176 -1.330 -5.593 165 H CYS 23 H CYS 23 -0.529 -0.421 -3.426 166 HA CYS 23 HA CYS 23 0.699 -2.380 -1.650 167 HB2 CYS 23 2HB CYS 23 -1.389 -2.349 -0.388 168 HB3 CYS 23 1HB CYS 23 -0.607 -0.775 -0.443 169 H VAL 24 H VAL 24 -0.067 -4.364 -1.387 170 HA VAL 24 HA VAL 24 -1.793 -5.328 -3.503 171 HB VAL 24 HB VAL 24 0.428 -6.295 -3.799 172 HG11 VAL 24 1HG1 VAL 24 1.350 -6.006 -1.582 173 HG12 VAL 24 2HG1 VAL 24 1.527 -7.683 -2.103 174 HG13 VAL 24 3HG1 VAL 24 0.270 -7.247 -0.945 175 HG21 VAL 24 1HG2 VAL 24 -1.453 -8.326 -2.594 176 HG22 VAL 24 2HG2 VAL 24 -0.084 -8.695 -3.643 177 HG23 VAL 24 3HG2 VAL 24 -1.448 -7.768 -4.268 178 HA PRO 25 HA PRO 25 -4.269 -6.063 0.137 179 HB2 PRO 25 2HB PRO 25 -6.619 -6.253 -1.147 180 HB3 PRO 25 1HB PRO 25 -5.811 -4.706 -0.892 181 HG2 PRO 25 2HG PRO 25 -6.053 -6.322 -3.369 182 HG3 PRO 25 1HG PRO 25 -5.929 -4.568 -3.165 183 HD2 PRO 25 2HD PRO 25 -3.849 -6.320 -3.881 184 HD3 PRO 25 1HD PRO 25 -3.701 -4.618 -3.401 185 H LEU 26 H LEU 26 -4.637 -7.985 1.157 186 HA LEU 26 HA LEU 26 -5.753 -10.129 -0.345 187 HB2 LEU 26 2HB LEU 26 -4.090 -11.832 0.241 188 HB3 LEU 26 1HB LEU 26 -3.418 -10.586 -0.778 189 HG LEU 26 HG LEU 26 -2.957 -10.697 2.208 190 HD11 LEU 26 1HD1 LEU 26 -2.124 -12.739 1.178 191 HD12 LEU 26 2HD1 LEU 26 -0.798 -11.693 1.684 192 HD13 LEU 26 3HD1 LEU 26 -1.245 -11.785 -0.019 193 HD21 LEU 26 1HD2 LEU 26 -1.457 -9.292 -0.007 194 HD22 LEU 26 2HD2 LEU 26 -1.025 -9.284 1.703 195 HD23 LEU 26 3HD2 LEU 26 -2.520 -8.518 1.169 196 HA PRO 27 HA PRO 27 -7.559 -10.680 -0.249 197 HB2 PRO 27 2HB PRO 27 -10.014 -10.221 1.231 198 HB3 PRO 27 1HB PRO 27 -9.539 -11.640 0.296 199 HG2 PRO 27 2HG PRO 27 -9.767 -11.692 2.991 200 HG3 PRO 27 1HG PRO 27 -8.595 -12.679 2.101 201 HD2 PRO 27 2HD PRO 27 -8.169 -10.112 3.567 202 HD3 PRO 27 1HD PRO 27 -7.174 -11.580 3.566 203 H ILE 28 H ILE 28 -8.727 -8.490 2.321 204 HA ILE 28 HA ILE 28 -9.192 -6.466 0.263 205 HB ILE 28 HB ILE 28 -10.139 -6.535 3.148 206 HG12 ILE 28 2HG1 ILE 28 -11.659 -6.911 0.556 207 HG13 ILE 28 1HG1 ILE 28 -11.224 -8.194 1.674 208 HG21 ILE 28 1HG2 ILE 28 -11.527 -4.592 2.533 209 HG22 ILE 28 2HG2 ILE 28 -10.733 -4.543 0.956 210 HG23 ILE 28 3HG2 ILE 28 -9.801 -4.244 2.418 211 HD11 ILE 28 1HD1 ILE 28 -13.532 -7.568 1.922 212 HD12 ILE 28 2HD1 ILE 28 -13.078 -5.893 2.241 213 HD13 ILE 28 3HD1 ILE 28 -12.639 -7.164 3.386 214 H PHE 29 H PHE 29 -7.752 -6.810 3.469 215 HA PHE 29 HA PHE 29 -6.317 -4.343 3.029 216 HB2 PHE 29 2HB PHE 29 -6.511 -6.112 5.477 217 HB3 PHE 29 1HB PHE 29 -5.573 -4.627 5.395 218 HD1 PHE 29 1HD PHE 29 -8.826 -6.066 5.945 219 HD2 PHE 29 2HD PHE 29 -6.790 -2.456 4.996 220 HE1 PHE 29 1HE PHE 29 -10.811 -4.780 6.589 221 HE2 PHE 29 2HE PHE 29 -8.781 -1.163 5.650 222 HZ PHE 29 HZ PHE 29 -10.795 -2.330 6.447 223 H GLY 30 H GLY 30 -4.216 -4.201 2.781 224 HA2 GLY 30 2HA GLY 30 -2.473 -6.481 3.112 225 HA3 GLY 30 1HA GLY 30 -2.627 -5.841 1.476 226 H LEU 31 H LEU 31 -0.191 -5.521 2.168 227 HA LEU 31 HA LEU 31 -0.018 -2.854 3.375 228 HB2 LEU 31 2HB LEU 31 2.050 -5.048 3.301 229 HB3 LEU 31 1HB LEU 31 2.369 -3.417 3.851 230 HG LEU 31 HG LEU 31 0.457 -5.365 5.144 231 HD11 LEU 31 1HD1 LEU 31 2.782 -6.001 5.457 232 HD12 LEU 31 2HD1 LEU 31 2.088 -5.406 6.965 233 HD13 LEU 31 3HD1 LEU 31 3.164 -4.375 6.023 234 HD21 LEU 31 1HD2 LEU 31 -0.299 -3.070 5.438 235 HD22 LEU 31 2HD2 LEU 31 1.310 -2.591 5.975 236 HD23 LEU 31 3HD2 LEU 31 0.347 -3.698 6.951 237 H CYS 32 H CYS 32 1.830 -1.552 2.571 238 HA CYS 32 HA CYS 32 1.774 -1.642 -0.306 239 HB2 CYS 32 2HB CYS 32 2.848 0.382 1.624 240 HB3 CYS 32 1HB CYS 32 2.912 0.550 -0.129 241 H VAL 33 H VAL 33 3.404 -2.082 -1.572 242 HA VAL 33 HA VAL 33 5.942 -2.760 -0.334 243 HB VAL 33 HB VAL 33 4.902 -4.696 -1.430 244 HG11 VAL 33 1HG1 VAL 33 4.822 -3.051 -3.946 245 HG12 VAL 33 2HG1 VAL 33 3.439 -3.599 -3.000 246 HG13 VAL 33 3HG1 VAL 33 4.457 -4.774 -3.837 247 HG21 VAL 33 1HG2 VAL 33 7.222 -3.625 -3.026 248 HG22 VAL 33 2HG2 VAL 33 6.664 -5.295 -3.045 249 HG23 VAL 33 3HG2 VAL 33 7.307 -4.604 -1.557 250 HA PRO 34 HA PRO 34 7.352 0.896 -2.326 251 HB2 PRO 34 2HB PRO 34 10.025 0.489 -2.044 252 HB3 PRO 34 1HB PRO 34 8.990 1.047 -0.726 253 HG2 PRO 34 2HG PRO 34 10.030 -1.699 -1.286 254 HG3 PRO 34 1HG PRO 34 9.852 -0.862 0.268 255 HD2 PRO 34 2HD PRO 34 8.103 -2.736 -0.616 256 HD3 PRO 34 1HD PRO 34 7.619 -1.384 0.431 257 H ASP 35 H ASP 35 7.385 1.190 -4.410 258 HA ASP 35 HA ASP 35 8.355 -0.862 -6.224 259 HB2 ASP 35 2HB ASP 35 7.275 1.914 -6.777 260 HB3 ASP 35 1HB ASP 35 7.644 0.706 -7.999 261 H VAL 36 H VAL 36 9.118 2.216 -4.985 262 HA VAL 36 HA VAL 36 11.301 2.723 -6.683 263 HB VAL 36 HB VAL 36 11.788 4.623 -5.138 264 HG11 VAL 36 1HG1 VAL 36 10.288 4.922 -7.009 265 HG12 VAL 36 2HG1 VAL 36 9.732 5.867 -5.623 266 HG13 VAL 36 3HG1 VAL 36 8.930 4.354 -6.037 267 HG21 VAL 36 1HG2 VAL 36 11.003 3.623 -3.025 268 HG22 VAL 36 2HG2 VAL 36 9.348 3.644 -3.634 269 HG23 VAL 36 3HG2 VAL 36 10.199 5.160 -3.346 Start of MODEL 5 1 H1 LEU 1 1HT LEU 1 14.972 8.897 2.780 2 H2 LEU 1 2HT LEU 1 16.406 8.312 2.144 3 H3 LEU 1 3HT LEU 1 15.204 7.254 2.709 4 HA LEU 1 HA LEU 1 14.793 9.074 0.438 5 HB2 LEU 1 2HB LEU 1 15.340 6.085 0.523 6 HB3 LEU 1 1HB LEU 1 14.509 6.832 -0.811 7 HG LEU 1 HG LEU 1 16.818 6.382 -1.368 8 HD11 LEU 1 1HD1 LEU 1 15.802 8.260 -2.435 9 HD12 LEU 1 2HD1 LEU 1 17.507 8.586 -2.133 10 HD13 LEU 1 3HD1 LEU 1 16.274 9.321 -1.112 11 HD21 LEU 1 1HD2 LEU 1 18.667 7.510 -0.308 12 HD22 LEU 1 2HD2 LEU 1 17.791 6.535 0.881 13 HD23 LEU 1 3HD2 LEU 1 17.575 8.284 0.835 14 HA PRO 2 HA PRO 2 10.436 8.653 1.144 15 HB2 PRO 2 2HB PRO 2 10.266 7.681 -1.673 16 HB3 PRO 2 1HB PRO 2 9.347 8.964 -0.873 17 HG2 PRO 2 2HG PRO 2 11.297 9.573 -2.558 18 HG3 PRO 2 1HG PRO 2 11.071 10.500 -1.064 19 HD2 PRO 2 2HD PRO 2 13.127 8.441 -1.721 20 HD3 PRO 2 1HD PRO 2 13.270 9.917 -0.744 21 H ARG 3 H ARG 3 9.195 7.142 1.943 22 HA ARG 3 HA ARG 3 9.733 4.326 1.305 23 HB2 ARG 3 2HB ARG 3 8.993 5.545 3.973 24 HB3 ARG 3 1HB ARG 3 9.306 3.852 3.644 25 HG2 ARG 3 2HG ARG 3 11.620 4.242 3.311 26 HG3 ARG 3 1HG ARG 3 11.384 5.991 3.302 27 HD2 ARG 3 2HD ARG 3 10.981 4.129 5.643 28 HD3 ARG 3 1HD ARG 3 12.286 5.303 5.440 29 HE ARG 3 HE ARG 3 9.450 6.118 5.615 30 HH11 ARG 3 1HH1 ARG 3 12.780 6.482 6.819 31 HH12 ARG 3 2HH1 ARG 3 12.410 7.863 7.736 32 HH21 ARG 3 1HH2 ARG 3 8.997 7.924 6.810 33 HH22 ARG 3 2HH2 ARG 3 10.206 8.737 7.726 34 H CYS 4 H CYS 4 7.690 3.196 2.612 35 HA CYS 4 HA CYS 4 5.347 4.215 1.264 36 HB2 CYS 4 2HB CYS 4 5.504 1.872 3.181 37 HB3 CYS 4 1HB CYS 4 4.327 2.154 1.908 38 H ASP 5 H ASP 5 6.277 3.280 4.560 39 HA ASP 5 HA ASP 5 5.622 3.837 6.638 40 HB2 ASP 5 2HB ASP 5 5.214 6.521 5.312 41 HB3 ASP 5 1HB ASP 5 5.049 6.281 7.052 42 H SER 6 H SER 6 3.692 2.834 4.717 43 HA SER 6 HA SER 6 1.159 4.002 5.268 44 HB2 SER 6 2HB SER 6 1.811 1.356 3.992 45 HB3 SER 6 1HB SER 6 0.384 2.360 3.736 46 HG SER 6 HG SER 6 1.718 3.922 2.747 47 HA PRO 7 HA PRO 7 0.633 1.453 8.956 48 HB2 PRO 7 2HB PRO 7 -1.920 2.245 9.522 49 HB3 PRO 7 1HB PRO 7 -0.504 3.210 9.926 50 HG2 PRO 7 2HG PRO 7 -2.426 3.536 7.676 51 HG3 PRO 7 1HG PRO 7 -1.579 4.766 8.623 52 HD2 PRO 7 2HD PRO 7 -0.852 3.970 6.098 53 HD3 PRO 7 1HD PRO 7 0.254 4.705 7.276 54 H PHE 8 H PHE 8 -1.472 1.532 6.183 55 HA PHE 8 HA PHE 8 -1.954 -1.263 6.168 56 HB2 PHE 8 2HB PHE 8 -4.389 -1.176 6.380 57 HB3 PHE 8 1HB PHE 8 -3.679 -0.530 7.852 58 HD1 PHE 8 1HD PHE 8 -5.812 0.125 4.994 59 HD2 PHE 8 2HD PHE 8 -3.776 1.932 8.261 60 HE1 PHE 8 1HE PHE 8 -7.205 2.124 4.744 61 HE2 PHE 8 2HE PHE 8 -5.163 3.943 8.009 62 HZ PHE 8 HZ PHE 8 -6.884 4.041 6.247 63 H CYS 9 H CYS 9 -3.697 -1.564 4.207 64 HA CYS 9 HA CYS 9 -4.150 0.581 2.495 65 HB2 CYS 9 2HB CYS 9 -1.645 0.258 2.132 66 HB3 CYS 9 1HB CYS 9 -2.016 -1.338 1.497 67 H SER 10 H SER 10 -5.165 -0.275 0.460 68 HA SER 10 HA SER 10 -5.902 -3.048 0.374 69 HB2 SER 10 2HB SER 10 -8.325 -2.569 0.574 70 HB3 SER 10 1HB SER 10 -7.485 -2.127 2.059 71 HG SER 10 HG SER 10 -8.670 -0.425 1.673 72 H LEU 11 H LEU 11 -7.696 -3.086 -1.608 73 HA LEU 11 HA LEU 11 -6.436 -1.603 -3.672 74 HB2 LEU 11 2HB LEU 11 -7.982 -2.590 -5.238 75 HB3 LEU 11 1HB LEU 11 -7.378 -3.827 -4.160 76 HG LEU 11 HG LEU 11 -10.057 -2.545 -3.742 77 HD11 LEU 11 1HD1 LEU 11 -10.011 -3.458 -6.028 78 HD12 LEU 11 2HD1 LEU 11 -11.029 -4.454 -4.988 79 HD13 LEU 11 3HD1 LEU 11 -9.402 -4.992 -5.409 80 HD21 LEU 11 1HD2 LEU 11 -10.551 -4.753 -2.708 81 HD22 LEU 11 2HD2 LEU 11 -9.329 -3.831 -1.870 82 HD23 LEU 11 3HD2 LEU 11 -8.851 -5.181 -2.914 83 H PHE 12 H PHE 12 -8.935 -1.088 -1.551 84 HA PHE 12 HA PHE 12 -10.268 0.924 -3.131 85 HB2 PHE 12 2HB PHE 12 -10.749 -0.015 -0.308 86 HB3 PHE 12 1HB PHE 12 -11.700 1.232 -1.099 87 HD1 PHE 12 1HD PHE 12 -12.524 0.430 -3.566 88 HD2 PHE 12 2HD PHE 12 -11.696 -2.108 -0.245 89 HE1 PHE 12 1HE PHE 12 -14.005 -1.289 -4.509 90 HE2 PHE 12 2HE PHE 12 -13.168 -3.825 -1.192 91 HZ PHE 12 HZ PHE 12 -14.324 -3.422 -3.327 92 H ARG 13 H ARG 13 -8.022 0.766 -0.435 93 HA ARG 13 HA ARG 13 -7.698 3.651 -0.728 94 HB2 ARG 13 2HB ARG 13 -7.598 2.034 1.821 95 HB3 ARG 13 1HB ARG 13 -6.802 3.591 1.691 96 HG2 ARG 13 2HG ARG 13 -8.893 3.954 2.761 97 HG3 ARG 13 1HG ARG 13 -9.053 4.578 1.121 98 HD2 ARG 13 2HD ARG 13 -10.108 2.411 0.493 99 HD3 ARG 13 1HD ARG 13 -10.057 1.967 2.195 100 HE ARG 13 HE ARG 13 -11.387 4.446 1.528 101 HH11 ARG 13 1HH1 ARG 13 -11.697 1.033 2.417 102 HH12 ARG 13 2HH1 ARG 13 -13.374 1.112 2.683 103 HH21 ARG 13 1HH2 ARG 13 -13.732 4.546 1.898 104 HH22 ARG 13 2HH2 ARG 13 -14.555 3.147 2.380 105 H ILE 14 H ILE 14 -6.178 3.436 -2.259 106 HA ILE 14 HA ILE 14 -3.734 1.998 -1.546 107 HB ILE 14 HB ILE 14 -2.988 2.450 -3.867 108 HG12 ILE 14 2HG1 ILE 14 -5.757 3.607 -4.272 109 HG13 ILE 14 1HG1 ILE 14 -4.267 4.547 -4.236 110 HG21 ILE 14 1HG2 ILE 14 -5.682 1.124 -3.665 111 HG22 ILE 14 2HG2 ILE 14 -4.119 0.372 -3.357 112 HG23 ILE 14 3HG2 ILE 14 -4.528 0.918 -4.981 113 HD11 ILE 14 1HD1 ILE 14 -3.502 3.363 -6.242 114 HD12 ILE 14 2HD1 ILE 14 -5.041 4.183 -6.511 115 HD13 ILE 14 3HD1 ILE 14 -5.003 2.438 -6.259 116 H GLY 15 H GLY 15 -5.002 5.017 -1.221 117 HA2 GLY 15 2HA GLY 15 -2.918 6.738 -1.994 118 HA3 GLY 15 1HA GLY 15 -4.185 7.113 -0.837 119 H LEU 16 H LEU 16 -3.213 4.674 0.685 120 HA LEU 16 HA LEU 16 -1.518 6.017 2.511 121 HB2 LEU 16 2HB LEU 16 -2.098 3.063 2.208 122 HB3 LEU 16 1HB LEU 16 -1.169 3.750 3.515 123 HG LEU 16 HG LEU 16 -3.323 3.231 4.342 124 HD11 LEU 16 1HD1 LEU 16 -4.157 5.347 5.134 125 HD12 LEU 16 2HD1 LEU 16 -3.181 6.185 3.932 126 HD13 LEU 16 3HD1 LEU 16 -2.396 5.255 5.215 127 HD21 LEU 16 1HD2 LEU 16 -4.582 3.130 2.267 128 HD22 LEU 16 2HD2 LEU 16 -4.508 4.889 2.120 129 HD23 LEU 16 3HD2 LEU 16 -5.403 4.150 3.450 130 H CYS 17 H CYS 17 -0.930 3.768 -0.117 131 HA CYS 17 HA CYS 17 1.902 3.624 0.424 132 HB2 CYS 17 2HB CYS 17 0.235 2.600 -1.866 133 HB3 CYS 17 1HB CYS 17 1.956 2.279 -1.694 134 H GLY 18 H GLY 18 -0.277 5.444 -1.457 135 HA2 GLY 18 2HA GLY 18 -0.100 7.300 -2.761 136 HA3 GLY 18 1HA GLY 18 1.160 7.721 -1.623 137 H ASP 19 H ASP 19 0.910 5.414 -4.336 138 HA ASP 19 HA ASP 19 1.872 5.268 -6.353 139 HB2 ASP 19 2HB ASP 19 1.377 7.564 -6.572 140 HB3 ASP 19 1HB ASP 19 2.843 8.059 -5.748 141 H LYS 20 H LYS 20 3.733 5.935 -3.678 142 HA LYS 20 HA LYS 20 6.314 5.389 -4.856 143 HB2 LYS 20 2HB LYS 20 5.468 5.730 -2.009 144 HB3 LYS 20 1HB LYS 20 7.141 5.516 -2.525 145 HG2 LYS 20 2HG LYS 20 6.995 7.512 -3.886 146 HG3 LYS 20 1HG LYS 20 5.310 7.711 -3.418 147 HD2 LYS 20 2HD LYS 20 7.615 7.704 -1.483 148 HD3 LYS 20 1HD LYS 20 6.885 9.143 -2.212 149 HE2 LYS 20 2HE LYS 20 5.422 7.116 -0.496 150 HE3 LYS 20 1HE LYS 20 6.011 8.677 0.062 151 HZ1 LYS 20 1HZ LYS 20 3.968 8.315 -2.090 152 HZ2 LYS 20 2HZ LYS 20 4.537 9.773 -1.493 153 HZ3 LYS 20 3HZ LYS 20 3.668 8.737 -0.483 154 H CYS 21 H CYS 21 3.881 3.681 -3.139 155 HA CYS 21 HA CYS 21 5.427 1.248 -3.479 156 HB2 CYS 21 2HB CYS 21 3.840 1.900 -0.986 157 HB3 CYS 21 1HB CYS 21 4.736 0.435 -1.315 158 H THR 22 H THR 22 3.918 -0.686 -3.146 159 HA THR 22 HA THR 22 1.319 -0.040 -4.239 160 HB THR 22 HB THR 22 3.225 -2.190 -5.246 161 HG1 THR 22 1HG THR 22 3.747 -0.766 -6.764 162 HG21 THR 22 1HG2 THR 22 0.433 -1.471 -6.185 163 HG22 THR 22 2HG2 THR 22 0.868 -2.933 -5.303 164 HG23 THR 22 3HG2 THR 22 1.489 -2.668 -6.933 165 H CYS 23 H CYS 23 -0.179 -1.001 -2.975 166 HA CYS 23 HA CYS 23 0.769 -3.090 -1.221 167 HB2 CYS 23 2HB CYS 23 -1.367 -2.822 -0.022 168 HB3 CYS 23 1HB CYS 23 -0.419 -1.345 -0.088 169 H VAL 24 H VAL 24 0.080 -5.073 -1.186 170 HA VAL 24 HA VAL 24 -1.413 -5.945 -3.538 171 HB VAL 24 HB VAL 24 0.138 -7.642 -1.557 172 HG11 VAL 24 1HG1 VAL 24 -0.938 -8.278 -4.302 173 HG12 VAL 24 2HG1 VAL 24 -1.563 -8.879 -2.767 174 HG13 VAL 24 3HG1 VAL 24 0.045 -9.358 -3.312 175 HG21 VAL 24 1HG2 VAL 24 1.022 -6.610 -4.253 176 HG22 VAL 24 2HG2 VAL 24 1.911 -7.766 -3.258 177 HG23 VAL 24 3HG2 VAL 24 1.668 -6.115 -2.689 178 HA PRO 25 HA PRO 25 -4.650 -6.389 -0.393 179 HB2 PRO 25 2HB PRO 25 -6.544 -6.588 -2.538 180 HB3 PRO 25 1HB PRO 25 -6.283 -5.234 -1.439 181 HG2 PRO 25 2HG PRO 25 -5.733 -5.189 -4.146 182 HG3 PRO 25 1HG PRO 25 -5.000 -4.109 -2.947 183 HD2 PRO 25 2HD PRO 25 -3.901 -6.566 -4.228 184 HD3 PRO 25 1HD PRO 25 -3.097 -5.045 -3.766 185 H LEU 26 H LEU 26 -5.169 -8.306 0.483 186 HA LEU 26 HA LEU 26 -5.814 -10.431 -1.343 187 HB2 LEU 26 2HB LEU 26 -4.560 -12.127 -0.086 188 HB3 LEU 26 1HB LEU 26 -3.527 -10.935 -0.826 189 HG LEU 26 HG LEU 26 -4.225 -10.958 2.116 190 HD11 LEU 26 1HD1 LEU 26 -1.807 -12.077 0.695 191 HD12 LEU 26 2HD1 LEU 26 -3.055 -13.013 1.515 192 HD13 LEU 26 3HD1 LEU 26 -1.996 -11.951 2.442 193 HD21 LEU 26 1HD2 LEU 26 -2.252 -9.522 2.341 194 HD22 LEU 26 2HD2 LEU 26 -3.433 -8.796 1.245 195 HD23 LEU 26 3HD2 LEU 26 -1.997 -9.588 0.596 196 HA PRO 27 HA PRO 27 -7.502 -10.303 -2.012 197 HB2 PRO 27 2HB PRO 27 -10.337 -10.222 -1.836 198 HB3 PRO 27 1HB PRO 27 -9.345 -11.551 -2.440 199 HG2 PRO 27 2HG PRO 27 -10.905 -11.669 -0.157 200 HG3 PRO 27 1HG PRO 27 -9.511 -12.712 -0.486 201 HD2 PRO 27 2HD PRO 27 -9.692 -10.255 1.196 202 HD3 PRO 27 1HD PRO 27 -8.825 -11.774 1.516 203 H ILE 28 H ILE 28 -8.955 -8.567 0.639 204 HA ILE 28 HA ILE 28 -9.490 -6.282 -1.136 205 HB ILE 28 HB ILE 28 -10.619 -6.816 1.621 206 HG12 ILE 28 2HG1 ILE 28 -11.564 -8.363 -0.036 207 HG13 ILE 28 1HG1 ILE 28 -12.771 -7.203 0.490 208 HG21 ILE 28 1HG2 ILE 28 -10.412 -4.449 1.220 209 HG22 ILE 28 2HG2 ILE 28 -12.121 -4.898 1.146 210 HG23 ILE 28 3HG2 ILE 28 -11.206 -4.609 -0.339 211 HD11 ILE 28 1HD1 ILE 28 -12.929 -7.608 -1.897 212 HD12 ILE 28 2HD1 ILE 28 -11.244 -7.144 -2.111 213 HD13 ILE 28 3HD1 ILE 28 -12.431 -5.942 -1.600 214 H PHE 29 H PHE 29 -8.494 -6.983 2.171 215 HA PHE 29 HA PHE 29 -7.057 -4.475 2.355 216 HB2 PHE 29 2HB PHE 29 -8.475 -5.399 4.217 217 HB3 PHE 29 1HB PHE 29 -7.360 -6.748 4.335 218 HD1 PHE 29 1HD PHE 29 -5.196 -6.480 5.372 219 HD2 PHE 29 2HD PHE 29 -7.852 -3.185 4.954 220 HE1 PHE 29 1HE PHE 29 -3.858 -5.207 6.977 221 HE2 PHE 29 2HE PHE 29 -6.515 -1.906 6.567 222 HZ PHE 29 HZ PHE 29 -4.513 -2.920 7.581 223 H GLY 30 H GLY 30 -4.728 -4.425 2.609 224 HA2 GLY 30 2HA GLY 30 -3.403 -6.977 2.305 225 HA3 GLY 30 1HA GLY 30 -3.222 -5.843 0.977 226 H LEU 31 H LEU 31 -1.022 -6.239 1.569 227 HA LEU 31 HA LEU 31 -0.104 -4.503 3.743 228 HB2 LEU 31 2HB LEU 31 1.995 -5.829 3.672 229 HB3 LEU 31 1HB LEU 31 0.599 -6.784 4.109 230 HG LEU 31 HG LEU 31 0.607 -7.497 1.597 231 HD11 LEU 31 1HD1 LEU 31 2.258 -5.943 0.771 232 HD12 LEU 31 2HD1 LEU 31 2.807 -7.606 0.559 233 HD13 LEU 31 3HD1 LEU 31 3.470 -6.617 1.860 234 HD21 LEU 31 1HD2 LEU 31 2.137 -9.337 2.099 235 HD22 LEU 31 2HD2 LEU 31 1.011 -9.018 3.415 236 HD23 LEU 31 3HD2 LEU 31 2.687 -8.477 3.538 237 H CYS 32 H CYS 32 1.652 -3.064 3.237 238 HA CYS 32 HA CYS 32 1.596 -2.367 0.409 239 HB2 CYS 32 2HB CYS 32 0.942 -0.652 2.146 240 HB3 CYS 32 1HB CYS 32 2.612 -0.707 2.715 241 H VAL 33 H VAL 33 3.291 -2.860 -0.798 242 HA VAL 33 HA VAL 33 5.783 -3.366 0.602 243 HB VAL 33 HB VAL 33 4.874 -5.433 -0.406 244 HG11 VAL 33 1HG1 VAL 33 4.989 -4.020 -3.046 245 HG12 VAL 33 2HG1 VAL 33 3.540 -4.535 -2.184 246 HG13 VAL 33 3HG1 VAL 33 4.668 -5.739 -2.814 247 HG21 VAL 33 1HG2 VAL 33 7.277 -5.275 -0.332 248 HG22 VAL 33 2HG2 VAL 33 7.295 -4.428 -1.879 249 HG23 VAL 33 3HG2 VAL 33 6.786 -6.116 -1.803 250 HA PRO 34 HA PRO 34 7.388 0.245 -1.367 251 HB2 PRO 34 2HB PRO 34 10.020 -0.627 -1.574 252 HB3 PRO 34 1HB PRO 34 9.316 0.167 -0.160 253 HG2 PRO 34 2HG PRO 34 9.704 -2.735 -0.711 254 HG3 PRO 34 1HG PRO 34 9.953 -1.849 0.809 255 HD2 PRO 34 2HD PRO 34 7.804 -3.340 0.465 256 HD3 PRO 34 1HD PRO 34 7.661 -1.747 1.246 257 H ASP 35 H ASP 35 7.107 0.703 -3.351 258 HA ASP 35 HA ASP 35 7.412 -1.317 -5.427 259 HB2 ASP 35 2HB ASP 35 5.322 0.019 -5.324 260 HB3 ASP 35 1HB ASP 35 6.264 1.481 -5.583 261 H VAL 36 H VAL 36 8.596 1.778 -4.412 262 HA VAL 36 HA VAL 36 10.373 2.097 -6.565 263 HB VAL 36 HB VAL 36 11.458 3.888 -5.142 264 HG11 VAL 36 1HG1 VAL 36 8.466 4.025 -5.486 265 HG12 VAL 36 2HG1 VAL 36 9.688 4.459 -6.687 266 HG13 VAL 36 3HG1 VAL 36 9.522 5.408 -5.212 267 HG21 VAL 36 1HG2 VAL 36 10.977 2.978 -2.921 268 HG22 VAL 36 2HG2 VAL 36 9.247 3.191 -3.191 269 HG23 VAL 36 3HG2 VAL 36 10.301 4.599 -3.080 Start of MODEL 6 1 H1 LEU 1 1HT LEU 1 14.817 5.202 -1.835 2 H2 LEU 1 2HT LEU 1 16.038 4.069 -1.604 3 H3 LEU 1 3HT LEU 1 15.514 5.048 -0.319 4 HA LEU 1 HA LEU 1 13.895 3.024 -1.685 5 HB2 LEU 1 2HB LEU 1 15.067 3.075 1.095 6 HB3 LEU 1 1HB LEU 1 14.031 1.824 0.432 7 HG LEU 1 HG LEU 1 16.643 2.551 -0.750 8 HD11 LEU 1 1HD1 LEU 1 17.032 1.764 1.567 9 HD12 LEU 1 2HD1 LEU 1 17.566 0.526 0.430 10 HD13 LEU 1 3HD1 LEU 1 16.022 0.351 1.264 11 HD21 LEU 1 1HD2 LEU 1 15.220 1.351 -2.245 12 HD22 LEU 1 2HD2 LEU 1 14.910 0.111 -1.029 13 HD23 LEU 1 3HD2 LEU 1 16.521 0.277 -1.729 14 HA PRO 2 HA PRO 2 10.888 6.090 -0.231 15 HB2 PRO 2 2HB PRO 2 9.056 4.135 -1.484 16 HB3 PRO 2 1HB PRO 2 9.230 5.862 -1.802 17 HG2 PRO 2 2HG PRO 2 10.108 4.068 -3.565 18 HG3 PRO 2 1HG PRO 2 11.024 5.554 -3.248 19 HD2 PRO 2 2HD PRO 2 11.509 2.783 -2.189 20 HD3 PRO 2 1HD PRO 2 12.694 3.944 -2.816 21 H ARG 3 H ARG 3 9.663 6.179 1.496 22 HA ARG 3 HA ARG 3 8.986 3.675 2.818 23 HB2 ARG 3 2HB ARG 3 10.265 6.088 4.121 24 HB3 ARG 3 1HB ARG 3 9.591 4.717 4.987 25 HG2 ARG 3 2HG ARG 3 11.947 4.654 3.106 26 HG3 ARG 3 1HG ARG 3 12.005 4.533 4.868 27 HD2 ARG 3 2HD ARG 3 10.715 2.467 4.771 28 HD3 ARG 3 1HD ARG 3 10.616 2.594 3.023 29 HE ARG 3 HE ARG 3 13.141 2.257 4.470 30 HH11 ARG 3 1HH1 ARG 3 11.148 1.657 1.600 31 HH12 ARG 3 2HH1 ARG 3 12.111 0.354 1.051 32 HH21 ARG 3 1HH2 ARG 3 14.457 0.490 3.663 33 HH22 ARG 3 2HH2 ARG 3 14.009 -0.312 2.224 34 H CYS 4 H CYS 4 7.018 3.579 3.405 35 HA CYS 4 HA CYS 4 5.478 6.054 3.784 36 HB2 CYS 4 2HB CYS 4 4.454 3.529 2.463 37 HB3 CYS 4 1HB CYS 4 3.568 5.036 2.676 38 H ASP 5 H ASP 5 5.534 2.521 4.254 39 HA ASP 5 HA ASP 5 5.048 1.161 5.951 40 HB2 ASP 5 2HB ASP 5 5.668 3.629 7.559 41 HB3 ASP 5 1HB ASP 5 5.390 2.054 8.292 42 H SER 6 H SER 6 2.854 2.985 4.821 43 HA SER 6 HA SER 6 0.899 3.528 6.660 44 HB2 SER 6 2HB SER 6 0.481 2.398 3.879 45 HB3 SER 6 1HB SER 6 -0.631 3.430 4.782 46 HG SER 6 HG SER 6 0.478 4.706 3.351 47 HA PRO 7 HA PRO 7 0.278 -0.478 8.400 48 HB2 PRO 7 2HB PRO 7 -2.109 -0.004 9.672 49 HB3 PRO 7 1HB PRO 7 -0.535 0.502 10.293 50 HG2 PRO 7 2HG PRO 7 -2.596 2.088 8.826 51 HG3 PRO 7 1HG PRO 7 -1.565 2.574 10.182 52 HD2 PRO 7 2HD PRO 7 -1.066 3.287 7.613 53 HD3 PRO 7 1HD PRO 7 0.231 3.036 8.806 54 H PHE 8 H PHE 8 -2.551 0.969 6.814 55 HA PHE 8 HA PHE 8 -3.177 -1.675 5.774 56 HB2 PHE 8 2HB PHE 8 -5.168 0.253 6.993 57 HB3 PHE 8 1HB PHE 8 -5.610 -1.154 6.041 58 HD1 PHE 8 1HD PHE 8 -5.102 -3.430 6.917 59 HD2 PHE 8 2HD PHE 8 -4.592 0.073 9.284 60 HE1 PHE 8 1HE PHE 8 -5.072 -4.811 8.950 61 HE2 PHE 8 2HE PHE 8 -4.556 -1.303 11.314 62 HZ PHE 8 HZ PHE 8 -4.797 -3.749 11.152 63 H CYS 9 H CYS 9 -3.984 -1.687 3.765 64 HA CYS 9 HA CYS 9 -4.877 0.657 2.429 65 HB2 CYS 9 2HB CYS 9 -2.353 0.748 2.210 66 HB3 CYS 9 1HB CYS 9 -2.417 -0.836 1.444 67 H SER 10 H SER 10 -5.627 -0.169 0.207 68 HA SER 10 HA SER 10 -6.065 -3.038 0.115 69 HB2 SER 10 2HB SER 10 -8.371 -1.092 0.364 70 HB3 SER 10 1HB SER 10 -8.505 -2.828 0.090 71 HG SER 10 HG SER 10 -6.995 -2.616 2.146 72 H LEU 11 H LEU 11 -7.611 -3.430 -1.892 73 HA LEU 11 HA LEU 11 -6.529 -1.931 -4.032 74 HB2 LEU 11 2HB LEU 11 -7.807 -3.353 -5.531 75 HB3 LEU 11 1HB LEU 11 -7.009 -4.319 -4.318 76 HG LEU 11 HG LEU 11 -9.923 -3.594 -4.131 77 HD11 LEU 11 1HD1 LEU 11 -8.658 -6.027 -5.406 78 HD12 LEU 11 2HD1 LEU 11 -9.563 -4.767 -6.244 79 HD13 LEU 11 3HD1 LEU 11 -10.380 -5.828 -5.095 80 HD21 LEU 11 1HD2 LEU 11 -9.107 -4.443 -2.037 81 HD22 LEU 11 2HD2 LEU 11 -8.225 -5.735 -2.850 82 HD23 LEU 11 3HD2 LEU 11 -9.984 -5.754 -2.820 83 H PHE 12 H PHE 12 -9.290 -1.770 -2.089 84 HA PHE 12 HA PHE 12 -10.867 -0.086 -3.818 85 HB2 PHE 12 2HB PHE 12 -11.160 -0.545 -0.839 86 HB3 PHE 12 1HB PHE 12 -12.385 0.099 -1.917 87 HD1 PHE 12 1HD PHE 12 -11.781 -2.605 -0.047 88 HD2 PHE 12 2HD PHE 12 -12.493 -1.688 -4.136 89 HE1 PHE 12 1HE PHE 12 -12.600 -4.889 -0.417 90 HE2 PHE 12 2HE PHE 12 -13.314 -3.969 -4.504 91 HZ PHE 12 HZ PHE 12 -13.369 -5.576 -2.640 92 H ARG 13 H ARG 13 -8.885 0.277 -0.949 93 HA ARG 13 HA ARG 13 -8.690 3.202 -1.368 94 HB2 ARG 13 2HB ARG 13 -8.347 1.564 1.151 95 HB3 ARG 13 1HB ARG 13 -8.092 3.289 1.022 96 HG2 ARG 13 2HG ARG 13 -10.724 1.860 0.669 97 HG3 ARG 13 1HG ARG 13 -10.215 2.758 2.098 98 HD2 ARG 13 2HD ARG 13 -10.032 4.793 0.668 99 HD3 ARG 13 1HD ARG 13 -10.715 3.861 -0.662 100 HE ARG 13 HE ARG 13 -12.405 3.600 1.504 101 HH11 ARG 13 1HH1 ARG 13 -11.359 6.118 -0.747 102 HH12 ARG 13 2HH1 ARG 13 -12.732 7.100 -0.525 103 HH21 ARG 13 1HH2 ARG 13 -14.328 4.995 1.800 104 HH22 ARG 13 2HH2 ARG 13 -14.430 6.448 0.908 105 H ILE 14 H ILE 14 -7.129 3.047 -2.861 106 HA ILE 14 HA ILE 14 -4.609 1.811 -2.044 107 HB ILE 14 HB ILE 14 -3.833 2.446 -4.373 108 HG12 ILE 14 2HG1 ILE 14 -6.764 3.047 -4.817 109 HG13 ILE 14 1HG1 ILE 14 -5.482 4.250 -4.765 110 HG21 ILE 14 1HG2 ILE 14 -5.038 0.649 -5.522 111 HG22 ILE 14 2HG2 ILE 14 -6.208 0.609 -4.204 112 HG23 ILE 14 3HG2 ILE 14 -4.525 0.185 -3.899 113 HD11 ILE 14 1HD1 ILE 14 -4.488 3.243 -6.763 114 HD12 ILE 14 2HD1 ILE 14 -6.152 3.752 -7.046 115 HD13 ILE 14 3HD1 ILE 14 -5.783 2.045 -6.795 116 H GLY 15 H GLY 15 -6.182 4.636 -1.721 117 HA2 GLY 15 2HA GLY 15 -4.140 6.523 -2.347 118 HA3 GLY 15 1HA GLY 15 -5.652 6.853 -1.521 119 H LEU 16 H LEU 16 -4.166 4.369 0.032 120 HA LEU 16 HA LEU 16 -3.134 6.085 2.111 121 HB2 LEU 16 2HB LEU 16 -3.123 3.091 1.814 122 HB3 LEU 16 1HB LEU 16 -2.423 3.907 3.197 123 HG LEU 16 HG LEU 16 -4.506 3.086 3.892 124 HD11 LEU 16 1HD1 LEU 16 -4.930 5.985 3.258 125 HD12 LEU 16 2HD1 LEU 16 -4.091 5.321 4.658 126 HD13 LEU 16 3HD1 LEU 16 -5.817 5.036 4.451 127 HD21 LEU 16 1HD2 LEU 16 -5.759 4.326 1.458 128 HD22 LEU 16 2HD2 LEU 16 -6.614 3.459 2.737 129 HD23 LEU 16 3HD2 LEU 16 -5.466 2.610 1.706 130 H CYS 17 H CYS 17 -1.923 4.763 -0.729 131 HA CYS 17 HA CYS 17 0.819 5.435 0.066 132 HB2 CYS 17 2HB CYS 17 0.067 3.090 -1.699 133 HB3 CYS 17 1HB CYS 17 1.675 3.521 -1.143 134 H GLY 18 H GLY 18 1.181 7.244 -1.155 135 HA2 GLY 18 2HA GLY 18 0.040 7.273 -3.860 136 HA3 GLY 18 1HA GLY 18 0.288 8.699 -2.873 137 H ASP 19 H ASP 19 1.663 6.454 -5.039 138 HA ASP 19 HA ASP 19 3.208 6.627 -6.615 139 HB2 ASP 19 2HB ASP 19 2.618 8.991 -6.596 140 HB3 ASP 19 1HB ASP 19 3.953 9.319 -5.496 141 H LYS 20 H LYS 20 4.075 7.268 -3.470 142 HA LYS 20 HA LYS 20 6.892 6.718 -3.794 143 HB2 LYS 20 2HB LYS 20 5.176 6.956 -1.334 144 HB3 LYS 20 1HB LYS 20 6.918 6.724 -1.297 145 HG2 LYS 20 2HG LYS 20 5.588 9.018 -2.693 146 HG3 LYS 20 1HG LYS 20 6.118 9.088 -1.017 147 HD2 LYS 20 2HD LYS 20 8.429 8.540 -1.779 148 HD3 LYS 20 1HD LYS 20 7.852 8.533 -3.440 149 HE2 LYS 20 2HE LYS 20 7.721 10.911 -1.596 150 HE3 LYS 20 1HE LYS 20 8.994 10.633 -2.779 151 HZ1 LYS 20 1HZ LYS 20 7.333 12.124 -3.615 152 HZ2 LYS 20 2HZ LYS 20 6.101 11.010 -3.409 153 HZ3 LYS 20 3HZ LYS 20 7.334 10.729 -4.536 154 H CYS 21 H CYS 21 4.178 4.961 -2.387 155 HA CYS 21 HA CYS 21 5.708 2.500 -2.789 156 HB2 CYS 21 2HB CYS 21 3.888 3.018 -0.436 157 HB3 CYS 21 1HB CYS 21 4.965 1.651 -0.680 158 H THR 22 H THR 22 4.071 0.603 -2.647 159 HA THR 22 HA THR 22 1.463 1.405 -3.638 160 HB THR 22 HB THR 22 3.231 -0.784 -4.811 161 HG1 THR 22 1HG THR 22 4.055 0.910 -5.772 162 HG21 THR 22 1HG2 THR 22 1.482 -0.981 -6.523 163 HG22 THR 22 2HG2 THR 22 0.540 0.274 -5.717 164 HG23 THR 22 3HG2 THR 22 0.811 -1.276 -4.918 165 H CYS 23 H CYS 23 -0.139 -0.078 -2.872 166 HA CYS 23 HA CYS 23 0.974 -1.840 -0.869 167 HB2 CYS 23 2HB CYS 23 -1.309 -1.952 0.069 168 HB3 CYS 23 1HB CYS 23 -0.603 -0.343 0.087 169 H VAL 24 H VAL 24 0.472 -3.916 -0.678 170 HA VAL 24 HA VAL 24 -0.677 -5.098 -3.070 171 HB VAL 24 HB VAL 24 1.632 -5.781 -2.850 172 HG11 VAL 24 1HG1 VAL 24 1.003 -6.717 -0.060 173 HG12 VAL 24 2HG1 VAL 24 2.018 -5.346 -0.507 174 HG13 VAL 24 3HG1 VAL 24 2.521 -6.986 -0.917 175 HG21 VAL 24 1HG2 VAL 24 0.129 -7.505 -3.647 176 HG22 VAL 24 2HG2 VAL 24 -0.180 -8.033 -1.992 177 HG23 VAL 24 3HG2 VAL 24 1.428 -8.226 -2.695 178 HA PRO 25 HA PRO 25 -3.926 -5.959 -0.050 179 HB2 PRO 25 2HB PRO 25 -5.522 -6.566 -2.420 180 HB3 PRO 25 1HB PRO 25 -5.747 -5.293 -1.215 181 HG2 PRO 25 2HG PRO 25 -4.992 -4.771 -3.764 182 HG3 PRO 25 1HG PRO 25 -4.489 -3.774 -2.388 183 HD2 PRO 25 2HD PRO 25 -2.977 -5.894 -3.851 184 HD3 PRO 25 1HD PRO 25 -2.439 -4.307 -3.246 185 H LEU 26 H LEU 26 -4.159 -7.934 0.887 186 HA LEU 26 HA LEU 26 -4.323 -10.210 -0.887 187 HB2 LEU 26 2HB LEU 26 -2.855 -11.602 0.500 188 HB3 LEU 26 1HB LEU 26 -2.008 -10.251 -0.206 189 HG LEU 26 HG LEU 26 -2.927 -10.272 2.679 190 HD11 LEU 26 1HD1 LEU 26 -1.442 -12.162 2.303 191 HD12 LEU 26 2HD1 LEU 26 -0.634 -10.909 3.249 192 HD13 LEU 26 3HD1 LEU 26 -0.271 -11.094 1.532 193 HD21 LEU 26 1HD2 LEU 26 -2.367 -8.076 1.737 194 HD22 LEU 26 2HD2 LEU 26 -0.785 -8.688 1.253 195 HD23 LEU 26 3HD2 LEU 26 -1.202 -8.571 2.965 196 HA PRO 27 HA PRO 27 -6.031 -10.348 -1.594 197 HB2 PRO 27 2HB PRO 27 -8.858 -10.687 -1.473 198 HB3 PRO 27 1HB PRO 27 -7.665 -11.843 -2.059 199 HG2 PRO 27 2HG PRO 27 -9.222 -12.211 0.175 200 HG3 PRO 27 1HG PRO 27 -7.673 -13.019 -0.122 201 HD2 PRO 27 2HD PRO 27 -8.273 -10.626 1.565 202 HD3 PRO 27 1HD PRO 27 -7.181 -11.988 1.900 203 H ILE 28 H ILE 28 -7.708 -8.817 1.005 204 HA ILE 28 HA ILE 28 -8.589 -6.651 -0.774 205 HB ILE 28 HB ILE 28 -9.604 -7.345 1.996 206 HG12 ILE 28 2HG1 ILE 28 -10.952 -7.547 -0.712 207 HG13 ILE 28 1HG1 ILE 28 -10.343 -8.905 0.224 208 HG21 ILE 28 1HG2 ILE 28 -9.655 -4.947 1.660 209 HG22 ILE 28 2HG2 ILE 28 -11.300 -5.581 1.583 210 HG23 ILE 28 3HG2 ILE 28 -10.443 -5.151 0.100 211 HD11 ILE 28 1HD1 ILE 28 -12.755 -8.700 0.413 212 HD12 ILE 28 2HD1 ILE 28 -12.581 -7.059 1.033 213 HD13 ILE 28 3HD1 ILE 28 -11.982 -8.423 1.974 214 H PHE 29 H PHE 29 -7.441 -7.087 2.556 215 HA PHE 29 HA PHE 29 -6.301 -4.422 2.484 216 HB2 PHE 29 2HB PHE 29 -6.524 -6.452 4.725 217 HB3 PHE 29 1HB PHE 29 -5.782 -4.868 4.892 218 HD1 PHE 29 1HD PHE 29 -7.129 -2.876 5.047 219 HD2 PHE 29 2HD PHE 29 -8.949 -6.684 4.462 220 HE1 PHE 29 1HE PHE 29 -9.317 -1.916 5.612 221 HE2 PHE 29 2HE PHE 29 -11.135 -5.727 5.020 222 HZ PHE 29 HZ PHE 29 -11.326 -3.337 5.597 223 H GLY 30 H GLY 30 -4.115 -4.048 2.695 224 HA2 GLY 30 2HA GLY 30 -2.312 -6.279 2.971 225 HA3 GLY 30 1HA GLY 30 -2.298 -5.481 1.401 226 H LEU 31 H LEU 31 -0.038 -5.405 2.469 227 HA LEU 31 HA LEU 31 0.212 -3.074 4.167 228 HB2 LEU 31 2HB LEU 31 2.608 -3.770 4.390 229 HB3 LEU 31 1HB LEU 31 1.452 -4.920 5.006 230 HG LEU 31 HG LEU 31 1.805 -6.205 2.815 231 HD11 LEU 31 1HD1 LEU 31 3.929 -5.878 1.680 232 HD12 LEU 31 2HD1 LEU 31 4.239 -4.445 2.661 233 HD13 LEU 31 3HD1 LEU 31 2.890 -4.460 1.524 234 HD21 LEU 31 1HD2 LEU 31 4.081 -5.928 4.761 235 HD22 LEU 31 2HD2 LEU 31 3.815 -7.287 3.668 236 HD23 LEU 31 3HD2 LEU 31 2.653 -6.945 4.950 237 H CYS 32 H CYS 32 2.089 -1.626 3.655 238 HA CYS 32 HA CYS 32 1.812 -0.858 0.844 239 HB2 CYS 32 2HB CYS 32 1.061 0.691 2.694 240 HB3 CYS 32 1HB CYS 32 2.754 0.803 3.178 241 H VAL 33 H VAL 33 3.538 -1.422 -0.352 242 HA VAL 33 HA VAL 33 6.122 -1.554 1.000 243 HB VAL 33 HB VAL 33 5.218 -3.811 0.609 244 HG11 VAL 33 1HG1 VAL 33 4.904 -4.717 -1.642 245 HG12 VAL 33 2HG1 VAL 33 5.156 -3.105 -2.312 246 HG13 VAL 33 3HG1 VAL 33 3.770 -3.418 -1.268 247 HG21 VAL 33 1HG2 VAL 33 7.103 -4.786 -0.656 248 HG22 VAL 33 2HG2 VAL 33 7.622 -3.581 0.521 249 HG23 VAL 33 3HG2 VAL 33 7.549 -3.166 -1.193 250 HA PRO 34 HA PRO 34 7.354 1.039 -2.444 251 HB2 PRO 34 2HB PRO 34 10.056 0.677 -2.194 252 HB3 PRO 34 1HB PRO 34 9.147 1.842 -1.227 253 HG2 PRO 34 2HG PRO 34 10.086 -0.893 -0.515 254 HG3 PRO 34 1HG PRO 34 10.049 0.565 0.493 255 HD2 PRO 34 2HD PRO 34 8.222 -1.412 0.706 256 HD3 PRO 34 1HD PRO 34 7.815 0.291 1.003 257 H ASP 35 H ASP 35 6.991 0.170 -4.355 258 HA ASP 35 HA ASP 35 7.782 -2.537 -4.989 259 HB2 ASP 35 2HB ASP 35 6.567 -2.100 -7.056 260 HB3 ASP 35 1HB ASP 35 5.554 -1.902 -5.601 261 H VAL 36 H VAL 36 9.105 0.387 -5.224 262 HA VAL 36 HA VAL 36 10.641 -0.418 -7.510 263 HB VAL 36 HB VAL 36 9.414 1.560 -8.100 264 HG11 VAL 36 1HG1 VAL 36 10.529 2.923 -5.668 265 HG12 VAL 36 2HG1 VAL 36 8.859 2.431 -5.934 266 HG13 VAL 36 3HG1 VAL 36 9.575 3.698 -6.933 267 HG21 VAL 36 1HG2 VAL 36 11.207 3.171 -8.636 268 HG22 VAL 36 2HG2 VAL 36 11.628 1.497 -9.009 269 HG23 VAL 36 3HG2 VAL 36 12.290 2.269 -7.567 Start of MODEL 7 1 H1 LEU 1 1HT LEU 1 7.525 1.585 9.932 2 H2 LEU 1 2HT LEU 1 7.100 0.056 9.430 3 H3 LEU 1 3HT LEU 1 6.015 0.918 10.377 4 HA LEU 1 HA LEU 1 5.323 0.887 8.111 5 HB2 LEU 1 2HB LEU 1 6.580 3.566 8.810 6 HB3 LEU 1 1HB LEU 1 5.507 3.317 7.460 7 HG LEU 1 HG LEU 1 3.701 2.714 9.128 8 HD11 LEU 1 1HD1 LEU 1 5.039 2.153 11.064 9 HD12 LEU 1 2HD1 LEU 1 3.959 3.495 11.425 10 HD13 LEU 1 3HD1 LEU 1 5.669 3.799 11.128 11 HD21 LEU 1 1HD2 LEU 1 3.779 4.875 8.048 12 HD22 LEU 1 2HD2 LEU 1 4.905 5.467 9.267 13 HD23 LEU 1 3HD2 LEU 1 3.254 5.049 9.723 14 HA PRO 2 HA PRO 2 8.676 0.369 5.144 15 HB2 PRO 2 2HB PRO 2 7.154 0.656 2.912 16 HB3 PRO 2 1HB PRO 2 7.181 -0.852 3.833 17 HG2 PRO 2 2HG PRO 2 5.152 1.337 3.829 18 HG3 PRO 2 1HG PRO 2 4.909 -0.418 3.886 19 HD2 PRO 2 2HD PRO 2 4.723 1.149 6.076 20 HD3 PRO 2 1HD PRO 2 5.306 -0.526 6.155 21 H ARG 3 H ARG 3 9.472 1.502 3.318 22 HA ARG 3 HA ARG 3 9.869 4.203 4.095 23 HB2 ARG 3 2HB ARG 3 10.961 2.525 1.869 24 HB3 ARG 3 1HB ARG 3 11.353 4.227 2.073 25 HG2 ARG 3 2HG ARG 3 11.813 2.133 4.175 26 HG3 ARG 3 1HG ARG 3 13.047 2.705 3.048 27 HD2 ARG 3 2HD ARG 3 11.554 4.398 5.067 28 HD3 ARG 3 1HD ARG 3 13.223 3.868 5.169 29 HE ARG 3 HE ARG 3 13.486 5.116 2.979 30 HH11 ARG 3 1HH1 ARG 3 11.179 6.200 5.466 31 HH12 ARG 3 2HH1 ARG 3 11.375 7.838 5.117 32 HH21 ARG 3 1HH2 ARG 3 13.694 7.408 2.492 33 HH22 ARG 3 2HH2 ARG 3 12.791 8.539 3.393 34 H CYS 4 H CYS 4 7.560 2.952 2.526 35 HA CYS 4 HA CYS 4 7.021 4.855 0.440 36 HB2 CYS 4 2HB CYS 4 5.181 2.937 1.859 37 HB3 CYS 4 1HB CYS 4 4.905 3.692 0.292 38 H ASP 5 H ASP 5 6.733 4.654 3.848 39 HA ASP 5 HA ASP 5 6.027 5.983 5.485 40 HB2 ASP 5 2HB ASP 5 6.807 7.892 4.081 41 HB3 ASP 5 1HB ASP 5 5.229 7.962 3.317 42 H SER 6 H SER 6 4.212 4.531 3.346 43 HA SER 6 HA SER 6 1.567 5.196 4.231 44 HB2 SER 6 2HB SER 6 2.518 2.845 2.588 45 HB3 SER 6 1HB SER 6 0.928 3.615 2.562 46 HG SER 6 HG SER 6 1.673 5.226 1.401 47 HA PRO 7 HA PRO 7 2.336 2.246 7.592 48 HB2 PRO 7 2HB PRO 7 -0.003 2.624 8.925 49 HB3 PRO 7 1HB PRO 7 1.365 3.731 9.048 50 HG2 PRO 7 2HG PRO 7 -1.165 4.012 7.507 51 HG3 PRO 7 1HG PRO 7 -0.189 5.256 8.297 52 HD2 PRO 7 2HD PRO 7 -0.203 4.718 5.578 53 HD3 PRO 7 1HD PRO 7 1.092 5.571 6.434 54 H PHE 8 H PHE 8 -0.440 2.306 5.518 55 HA PHE 8 HA PHE 8 -0.581 -0.527 5.403 56 HB2 PHE 8 2HB PHE 8 -2.976 -0.679 6.042 57 HB3 PHE 8 1HB PHE 8 -2.014 -0.128 7.403 58 HD1 PHE 8 1HD PHE 8 -4.616 0.770 4.982 59 HD2 PHE 8 2HD PHE 8 -2.244 2.162 8.232 60 HE1 PHE 8 1HE PHE 8 -6.114 2.700 5.244 61 HE2 PHE 8 2HE PHE 8 -3.746 4.097 8.490 62 HZ PHE 8 HZ PHE 8 -5.678 4.362 6.993 63 H CYS 9 H CYS 9 -2.637 -0.939 3.891 64 HA CYS 9 HA CYS 9 -3.525 1.161 2.261 65 HB2 CYS 9 2HB CYS 9 -1.181 0.761 1.347 66 HB3 CYS 9 1HB CYS 9 -1.660 -0.897 1.019 67 H SER 10 H SER 10 -4.930 -0.037 0.480 68 HA SER 10 HA SER 10 -5.605 -2.759 1.123 69 HB2 SER 10 2HB SER 10 -7.632 -0.533 1.535 70 HB3 SER 10 1HB SER 10 -7.959 -2.261 1.648 71 HG SER 10 HG SER 10 -5.893 -1.631 3.210 72 H LEU 11 H LEU 11 -7.477 -3.421 -0.403 73 HA LEU 11 HA LEU 11 -6.878 -2.374 -2.960 74 HB2 LEU 11 2HB LEU 11 -8.585 -3.987 -3.818 75 HB3 LEU 11 1HB LEU 11 -7.299 -4.655 -2.842 76 HG LEU 11 HG LEU 11 -8.923 -4.770 -0.919 77 HD11 LEU 11 1HD1 LEU 11 -10.952 -4.249 -3.072 78 HD12 LEU 11 2HD1 LEU 11 -10.602 -3.219 -1.684 79 HD13 LEU 11 3HD1 LEU 11 -11.300 -4.821 -1.442 80 HD21 LEU 11 1HD2 LEU 11 -9.487 -6.389 -3.389 81 HD22 LEU 11 2HD2 LEU 11 -9.997 -6.809 -1.758 82 HD23 LEU 11 3HD2 LEU 11 -8.278 -6.731 -2.150 83 H PHE 12 H PHE 12 -9.253 -1.700 -0.689 84 HA PHE 12 HA PHE 12 -10.684 0.031 -2.529 85 HB2 PHE 12 2HB PHE 12 -10.932 -0.181 0.487 86 HB3 PHE 12 1HB PHE 12 -11.945 0.833 -0.521 87 HD1 PHE 12 1HD PHE 12 -12.801 -0.789 -2.700 88 HD2 PHE 12 2HD PHE 12 -12.115 -1.937 1.345 89 HE1 PHE 12 1HE PHE 12 -14.406 -2.631 -2.951 90 HE2 PHE 12 2HE PHE 12 -13.713 -3.786 1.091 91 HZ PHE 12 HZ PHE 12 -14.863 -4.135 -1.058 92 H ARG 13 H ARG 13 -8.825 0.492 0.440 93 HA ARG 13 HA ARG 13 -8.341 3.268 -0.176 94 HB2 ARG 13 2HB ARG 13 -7.248 1.585 2.087 95 HB3 ARG 13 1HB ARG 13 -7.084 3.321 1.923 96 HG2 ARG 13 2HG ARG 13 -9.668 1.833 2.294 97 HG3 ARG 13 1HG ARG 13 -8.801 2.736 3.537 98 HD2 ARG 13 2HD ARG 13 -9.088 4.785 2.189 99 HD3 ARG 13 1HD ARG 13 -10.012 3.847 1.015 100 HE ARG 13 HE ARG 13 -10.943 3.734 3.732 101 HH11 ARG 13 1HH1 ARG 13 -11.293 5.294 0.579 102 HH12 ARG 13 2HH1 ARG 13 -12.853 5.890 0.892 103 HH21 ARG 13 1HH2 ARG 13 -13.115 4.580 4.155 104 HH22 ARG 13 2HH2 ARG 13 -13.882 5.497 2.943 105 H ILE 14 H ILE 14 -7.280 2.984 -2.129 106 HA ILE 14 HA ILE 14 -4.588 1.820 -2.051 107 HB ILE 14 HB ILE 14 -4.619 2.163 -4.542 108 HG12 ILE 14 2HG1 ILE 14 -7.530 2.811 -4.067 109 HG13 ILE 14 1HG1 ILE 14 -6.310 3.973 -4.591 110 HG21 ILE 14 1HG2 ILE 14 -6.159 0.293 -5.005 111 HG22 ILE 14 2HG2 ILE 14 -6.801 0.457 -3.364 112 HG23 ILE 14 3HG2 ILE 14 -5.119 -0.002 -3.610 113 HD11 ILE 14 1HD1 ILE 14 -7.247 1.549 -6.101 114 HD12 ILE 14 2HD1 ILE 14 -6.025 2.695 -6.660 115 HD13 ILE 14 3HD1 ILE 14 -7.700 3.220 -6.444 116 H GLY 15 H GLY 15 -6.025 4.679 -1.525 117 HA2 GLY 15 2HA GLY 15 -4.173 6.425 -2.863 118 HA3 GLY 15 1HA GLY 15 -5.417 6.899 -1.712 119 H LEU 16 H LEU 16 -3.690 4.456 -0.397 120 HA LEU 16 HA LEU 16 -2.273 6.254 1.349 121 HB2 LEU 16 2HB LEU 16 -2.578 3.270 1.321 122 HB3 LEU 16 1HB LEU 16 -1.423 4.048 2.373 123 HG LEU 16 HG LEU 16 -3.406 3.485 3.608 124 HD11 LEU 16 1HD1 LEU 16 -3.264 6.456 3.185 125 HD12 LEU 16 2HD1 LEU 16 -2.270 5.493 4.279 126 HD13 LEU 16 3HD1 LEU 16 -4.004 5.630 4.556 127 HD21 LEU 16 1HD2 LEU 16 -5.588 4.461 3.123 128 HD22 LEU 16 2HD2 LEU 16 -5.017 3.446 1.792 129 HD23 LEU 16 3HD2 LEU 16 -4.934 5.202 1.661 130 H CYS 17 H CYS 17 -1.463 4.162 -1.321 131 HA CYS 17 HA CYS 17 1.346 4.896 -0.913 132 HB2 CYS 17 2HB CYS 17 0.293 2.530 -2.494 133 HB3 CYS 17 1HB CYS 17 1.963 2.900 -2.146 134 H GLY 18 H GLY 18 1.704 6.666 -2.188 135 HA2 GLY 18 2HA GLY 18 0.597 6.528 -4.901 136 HA3 GLY 18 1HA GLY 18 0.606 8.008 -3.958 137 H ASP 19 H ASP 19 2.021 6.573 -6.431 138 HA ASP 19 HA ASP 19 3.585 7.259 -7.835 139 HB2 ASP 19 2HB ASP 19 3.269 9.406 -6.967 140 HB3 ASP 19 1HB ASP 19 4.365 9.130 -5.626 141 H LYS 20 H LYS 20 4.503 6.595 -4.681 142 HA LYS 20 HA LYS 20 7.166 5.740 -5.503 143 HB2 LYS 20 2HB LYS 20 5.980 6.030 -2.773 144 HB3 LYS 20 1HB LYS 20 7.653 5.618 -3.124 145 HG2 LYS 20 2HG LYS 20 6.301 8.102 -4.056 146 HG3 LYS 20 1HG LYS 20 7.243 8.023 -2.578 147 HD2 LYS 20 2HD LYS 20 9.182 7.240 -4.030 148 HD3 LYS 20 1HD LYS 20 8.166 7.575 -5.431 149 HE2 LYS 20 2HE LYS 20 9.122 9.554 -3.373 150 HE3 LYS 20 1HE LYS 20 9.661 9.421 -5.041 151 HZ1 LYS 20 1HZ LYS 20 8.137 11.194 -4.895 152 HZ2 LYS 20 2HZ LYS 20 6.995 10.258 -4.081 153 HZ3 LYS 20 3HZ LYS 20 7.322 9.947 -5.710 154 H CYS 21 H CYS 21 4.248 4.323 -4.001 155 HA CYS 21 HA CYS 21 5.463 1.711 -4.433 156 HB2 CYS 21 2HB CYS 21 4.183 2.615 -1.860 157 HB3 CYS 21 1HB CYS 21 4.798 1.009 -2.213 158 H THR 22 H THR 22 3.799 -0.023 -4.029 159 HA THR 22 HA THR 22 1.073 0.806 -4.603 160 HB THR 22 HB THR 22 2.593 -1.411 -6.059 161 HG1 THR 22 1HG THR 22 2.838 -0.050 -7.714 162 HG21 THR 22 1HG2 THR 22 -0.174 -0.270 -6.545 163 HG22 THR 22 2HG2 THR 22 0.175 -1.838 -5.818 164 HG23 THR 22 3HG2 THR 22 0.603 -1.532 -7.504 165 H CYS 23 H CYS 23 -0.418 -0.819 -3.692 166 HA CYS 23 HA CYS 23 1.006 -2.533 -1.830 167 HB2 CYS 23 2HB CYS 23 -1.025 -2.502 -0.436 168 HB3 CYS 23 1HB CYS 23 -0.288 -0.924 -0.661 169 H VAL 24 H VAL 24 0.528 -4.581 -1.488 170 HA VAL 24 HA VAL 24 -1.022 -5.946 -3.567 171 HB VAL 24 HB VAL 24 0.927 -7.085 -1.528 172 HG11 VAL 24 1HG1 VAL 24 0.875 -9.117 -2.900 173 HG12 VAL 24 2HG1 VAL 24 -0.339 -8.375 -3.942 174 HG13 VAL 24 3HG1 VAL 24 -0.720 -8.722 -2.256 175 HG21 VAL 24 1HG2 VAL 24 1.352 -6.518 -4.462 176 HG22 VAL 24 2HG2 VAL 24 2.495 -7.338 -3.399 177 HG23 VAL 24 3HG2 VAL 24 2.086 -5.646 -3.117 178 HA PRO 25 HA PRO 25 -3.918 -6.112 -0.067 179 HB2 PRO 25 2HB PRO 25 -5.953 -6.808 -2.000 180 HB3 PRO 25 1HB PRO 25 -5.790 -5.335 -1.037 181 HG2 PRO 25 2HG PRO 25 -5.451 -5.398 -3.753 182 HG3 PRO 25 1HG PRO 25 -4.666 -4.221 -2.687 183 HD2 PRO 25 2HD PRO 25 -3.561 -6.715 -3.905 184 HD3 PRO 25 1HD PRO 25 -2.806 -5.117 -3.686 185 H LEU 26 H LEU 26 -4.151 -7.714 1.173 186 HA LEU 26 HA LEU 26 -5.070 -10.193 0.301 187 HB2 LEU 26 2HB LEU 26 -3.001 -11.423 1.336 188 HB3 LEU 26 1HB LEU 26 -2.982 -10.835 -0.311 189 HG LEU 26 HG LEU 26 -1.689 -8.815 0.547 190 HD11 LEU 26 1HD1 LEU 26 -2.125 -8.983 2.911 191 HD12 LEU 26 2HD1 LEU 26 -0.394 -9.053 2.580 192 HD13 LEU 26 3HD1 LEU 26 -1.278 -10.526 2.977 193 HD21 LEU 26 1HD2 LEU 26 -0.406 -11.526 0.726 194 HD22 LEU 26 2HD2 LEU 26 0.447 -9.995 0.532 195 HD23 LEU 26 3HD2 LEU 26 -0.641 -10.564 -0.733 196 HA PRO 27 HA PRO 27 -6.814 -10.756 0.693 197 HB2 PRO 27 2HB PRO 27 -9.214 -10.263 2.241 198 HB3 PRO 27 1HB PRO 27 -8.596 -11.800 1.631 199 HG2 PRO 27 2HG PRO 27 -8.685 -11.200 4.276 200 HG3 PRO 27 1HG PRO 27 -7.458 -12.265 3.571 201 HD2 PRO 27 2HD PRO 27 -7.242 -9.356 4.279 202 HD3 PRO 27 1HD PRO 27 -6.095 -10.676 4.598 203 H ILE 28 H ILE 28 -8.407 -8.332 2.806 204 HA ILE 28 HA ILE 28 -8.985 -6.742 0.435 205 HB ILE 28 HB ILE 28 -9.889 -6.308 3.296 206 HG12 ILE 28 2HG1 ILE 28 -10.840 -8.360 2.404 207 HG13 ILE 28 1HG1 ILE 28 -12.092 -7.131 2.498 208 HG21 ILE 28 1HG2 ILE 28 -11.534 -4.741 2.345 209 HG22 ILE 28 2HG2 ILE 28 -10.801 -4.957 0.758 210 HG23 ILE 28 3HG2 ILE 28 -9.874 -4.219 2.063 211 HD11 ILE 28 1HD1 ILE 28 -10.629 -8.000 0.009 212 HD12 ILE 28 2HD1 ILE 28 -11.862 -6.740 0.083 213 HD13 ILE 28 3HD1 ILE 28 -12.283 -8.413 0.450 214 H PHE 29 H PHE 29 -7.294 -6.413 3.514 215 HA PHE 29 HA PHE 29 -6.295 -3.831 2.718 216 HB2 PHE 29 2HB PHE 29 -5.092 -3.823 4.871 217 HB3 PHE 29 1HB PHE 29 -6.785 -4.205 5.113 218 HD1 PHE 29 1HD PHE 29 -3.355 -5.380 5.403 219 HD2 PHE 29 2HD PHE 29 -7.452 -6.498 5.752 220 HE1 PHE 29 1HE PHE 29 -2.705 -7.357 6.696 221 HE2 PHE 29 2HE PHE 29 -6.793 -8.477 7.039 222 HZ PHE 29 HZ PHE 29 -4.424 -8.910 7.516 223 H GLY 30 H GLY 30 -3.926 -3.472 2.511 224 HA2 GLY 30 2HA GLY 30 -2.593 -5.918 1.646 225 HA3 GLY 30 1HA GLY 30 -2.758 -4.570 0.531 226 H LEU 31 H LEU 31 -0.422 -5.789 1.399 227 HA LEU 31 HA LEU 31 0.822 -3.882 3.166 228 HB2 LEU 31 2HB LEU 31 2.870 -5.291 2.843 229 HB3 LEU 31 1HB LEU 31 1.508 -6.158 3.501 230 HG LEU 31 HG LEU 31 1.140 -6.991 1.068 231 HD11 LEU 31 1HD1 LEU 31 4.019 -6.150 0.847 232 HD12 LEU 31 2HD1 LEU 31 2.664 -5.493 -0.068 233 HD13 LEU 31 3HD1 LEU 31 3.146 -7.173 -0.295 234 HD21 LEU 31 1HD2 LEU 31 2.714 -8.835 1.413 235 HD22 LEU 31 2HD2 LEU 31 1.823 -8.430 2.879 236 HD23 LEU 31 3HD2 LEU 31 3.498 -7.911 2.696 237 H CYS 32 H CYS 32 2.326 -2.373 2.514 238 HA CYS 32 HA CYS 32 2.017 -1.633 -0.281 239 HB2 CYS 32 2HB CYS 32 1.598 -0.025 1.645 240 HB3 CYS 32 1HB CYS 32 3.337 -0.048 1.924 241 H VAL 33 H VAL 33 3.568 -2.119 -1.712 242 HA VAL 33 HA VAL 33 6.227 -2.666 -0.653 243 HB VAL 33 HB VAL 33 5.160 -4.701 -1.576 244 HG11 VAL 33 1HG1 VAL 33 3.650 -3.748 -3.186 245 HG12 VAL 33 2HG1 VAL 33 4.678 -4.956 -3.960 246 HG13 VAL 33 3HG1 VAL 33 5.003 -3.238 -4.195 247 HG21 VAL 33 1HG2 VAL 33 7.437 -3.710 -3.290 248 HG22 VAL 33 2HG2 VAL 33 6.914 -5.389 -3.180 249 HG23 VAL 33 3HG2 VAL 33 7.571 -4.579 -1.758 250 HA PRO 34 HA PRO 34 7.492 0.940 -2.879 251 HB2 PRO 34 2HB PRO 34 10.166 0.275 -3.152 252 HB3 PRO 34 1HB PRO 34 9.458 1.034 -1.726 253 HG2 PRO 34 2HG PRO 34 10.075 -1.831 -2.238 254 HG3 PRO 34 1HG PRO 34 10.306 -0.889 -0.752 255 HD2 PRO 34 2HD PRO 34 8.260 -2.587 -1.019 256 HD3 PRO 34 1HD PRO 34 8.055 -1.038 -0.171 257 H ASP 35 H ASP 35 7.257 1.381 -4.908 258 HA ASP 35 HA ASP 35 7.570 -0.752 -6.859 259 HB2 ASP 35 2HB ASP 35 5.461 0.564 -6.853 260 HB3 ASP 35 1HB ASP 35 6.389 2.015 -7.221 261 H VAL 36 H VAL 36 8.402 2.673 -6.568 262 HA VAL 36 HA VAL 36 10.499 2.277 -8.480 263 HB VAL 36 HB VAL 36 10.987 4.757 -8.160 264 HG11 VAL 36 1HG1 VAL 36 9.602 3.921 -9.989 265 HG12 VAL 36 2HG1 VAL 36 9.012 5.476 -9.405 266 HG13 VAL 36 3HG1 VAL 36 8.182 3.987 -8.947 267 HG21 VAL 36 1HG2 VAL 36 9.229 6.108 -7.069 268 HG22 VAL 36 2HG2 VAL 36 10.042 5.042 -5.924 269 HG23 VAL 36 3HG2 VAL 36 8.446 4.616 -6.544 Start of MODEL 8 1 H1 LEU 1 1HT LEU 1 17.325 5.462 4.519 2 H2 LEU 1 2HT LEU 1 15.894 5.524 5.436 3 H3 LEU 1 3HT LEU 1 16.322 6.824 4.493 4 HA LEU 1 HA LEU 1 15.986 5.630 2.511 5 HB2 LEU 1 2HB LEU 1 15.181 3.366 4.348 6 HB3 LEU 1 1HB LEU 1 14.856 3.409 2.636 7 HG LEU 1 HG LEU 1 17.610 3.448 3.820 8 HD11 LEU 1 1HD1 LEU 1 17.745 1.107 3.037 9 HD12 LEU 1 2HD1 LEU 1 16.045 1.179 2.573 10 HD13 LEU 1 3HD1 LEU 1 16.505 1.317 4.271 11 HD21 LEU 1 1HD2 LEU 1 16.632 3.087 1.003 12 HD22 LEU 1 2HD2 LEU 1 18.308 2.918 1.523 13 HD23 LEU 1 3HD2 LEU 1 17.505 4.481 1.635 14 HA PRO 2 HA PRO 2 12.080 7.553 3.097 15 HB2 PRO 2 2HB PRO 2 11.228 7.450 0.542 16 HB3 PRO 2 1HB PRO 2 12.510 8.552 1.052 17 HG2 PRO 2 2HG PRO 2 12.722 5.916 -0.345 18 HG3 PRO 2 1HG PRO 2 13.634 7.405 -0.634 19 HD2 PRO 2 2HD PRO 2 14.630 5.294 0.808 20 HD3 PRO 2 1HD PRO 2 15.111 6.973 1.083 21 H ARG 3 H ARG 3 10.323 6.839 3.849 22 HA ARG 3 HA ARG 3 9.273 4.241 2.965 23 HB2 ARG 3 2HB ARG 3 8.543 5.830 5.428 24 HB3 ARG 3 1HB ARG 3 8.099 4.186 5.037 25 HG2 ARG 3 2HG ARG 3 10.423 3.488 5.337 26 HG3 ARG 3 1HG ARG 3 10.855 5.153 5.748 27 HD2 ARG 3 2HD ARG 3 8.930 3.364 7.238 28 HD3 ARG 3 1HD ARG 3 10.519 3.888 7.786 29 HE ARG 3 HE ARG 3 9.639 6.165 7.869 30 HH11 ARG 3 1HH1 ARG 3 7.274 3.506 7.935 31 HH12 ARG 3 2HH1 ARG 3 6.043 4.424 8.646 32 HH21 ARG 3 1HH2 ARG 3 7.924 7.405 8.879 33 HH22 ARG 3 2HH2 ARG 3 6.394 6.686 9.150 34 H CYS 4 H CYS 4 6.813 4.287 2.992 35 HA CYS 4 HA CYS 4 5.821 6.807 1.921 36 HB2 CYS 4 2HB CYS 4 4.444 4.142 2.298 37 HB3 CYS 4 1HB CYS 4 3.766 5.531 1.463 38 H ASP 5 H ASP 5 5.917 4.985 4.762 39 HA ASP 5 HA ASP 5 5.145 5.117 6.845 40 HB2 ASP 5 2HB ASP 5 5.665 7.575 6.719 41 HB3 ASP 5 1HB ASP 5 4.038 7.871 6.119 42 H SER 6 H SER 6 3.747 3.985 4.697 43 HA SER 6 HA SER 6 0.944 4.263 5.431 44 HB2 SER 6 2HB SER 6 2.243 2.634 3.235 45 HB3 SER 6 1HB SER 6 0.522 2.992 3.406 46 HG SER 6 HG SER 6 1.217 4.474 2.008 47 HA PRO 7 HA PRO 7 1.943 0.679 8.014 48 HB2 PRO 7 2HB PRO 7 -0.399 0.640 9.419 49 HB3 PRO 7 1HB PRO 7 0.946 1.717 9.805 50 HG2 PRO 7 2HG PRO 7 -1.600 2.305 8.373 51 HG3 PRO 7 1HG PRO 7 -0.667 3.330 9.473 52 HD2 PRO 7 2HD PRO 7 -0.655 3.555 6.728 53 HD3 PRO 7 1HD PRO 7 0.650 4.126 7.784 54 H PHE 8 H PHE 8 -0.817 1.128 5.961 55 HA PHE 8 HA PHE 8 -0.874 -1.637 5.274 56 HB2 PHE 8 2HB PHE 8 -3.236 -1.999 5.820 57 HB3 PHE 8 1HB PHE 8 -2.348 -1.621 7.285 58 HD1 PHE 8 1HD PHE 8 -2.763 0.458 8.479 59 HD2 PHE 8 2HD PHE 8 -4.887 -0.458 4.907 60 HE1 PHE 8 1HE PHE 8 -4.383 2.247 8.975 61 HE2 PHE 8 2HE PHE 8 -6.500 1.322 5.400 62 HZ PHE 8 HZ PHE 8 -6.246 2.677 7.435 63 H CYS 9 H CYS 9 -2.852 -1.829 3.668 64 HA CYS 9 HA CYS 9 -3.730 0.580 2.441 65 HB2 CYS 9 2HB CYS 9 -1.423 0.168 1.477 66 HB3 CYS 9 1HB CYS 9 -2.019 -1.375 0.883 67 H SER 10 H SER 10 -5.233 -0.240 0.544 68 HA SER 10 HA SER 10 -6.071 -2.989 0.764 69 HB2 SER 10 2HB SER 10 -7.960 -0.743 1.584 70 HB3 SER 10 1HB SER 10 -8.379 -2.451 1.449 71 HG SER 10 HG SER 10 -6.258 -2.240 2.998 72 H LEU 11 H LEU 11 -8.025 -3.268 -0.876 73 HA LEU 11 HA LEU 11 -7.194 -1.921 -3.217 74 HB2 LEU 11 2HB LEU 11 -8.885 -3.109 -4.451 75 HB3 LEU 11 1HB LEU 11 -8.098 -4.210 -3.346 76 HG LEU 11 HG LEU 11 -10.714 -2.950 -2.634 77 HD11 LEU 11 1HD1 LEU 11 -10.269 -5.491 -4.218 78 HD12 LEU 11 2HD1 LEU 11 -10.998 -4.010 -4.836 79 HD13 LEU 11 3HD1 LEU 11 -11.819 -4.944 -3.584 80 HD21 LEU 11 1HD2 LEU 11 -9.334 -5.506 -1.878 81 HD22 LEU 11 2HD2 LEU 11 -10.977 -5.079 -1.415 82 HD23 LEU 11 3HD2 LEU 11 -9.632 -4.107 -0.835 83 H PHE 12 H PHE 12 -9.750 -1.379 -0.925 84 HA PHE 12 HA PHE 12 -11.008 0.582 -2.650 85 HB2 PHE 12 2HB PHE 12 -11.638 -0.059 0.240 86 HB3 PHE 12 1HB PHE 12 -12.611 0.908 -0.852 87 HD1 PHE 12 1HD PHE 12 -12.438 -2.162 0.663 88 HD2 PHE 12 2HD PHE 12 -13.104 -0.448 -3.178 89 HE1 PHE 12 1HE PHE 12 -13.663 -4.173 -0.019 90 HE2 PHE 12 2HE PHE 12 -14.332 -2.459 -3.860 91 HZ PHE 12 HZ PHE 12 -14.616 -4.327 -2.285 92 H ARG 13 H ARG 13 -8.524 0.446 -0.395 93 HA ARG 13 HA ARG 13 -8.524 3.370 -0.155 94 HB2 ARG 13 2HB ARG 13 -7.492 1.461 1.973 95 HB3 ARG 13 1HB ARG 13 -7.572 3.208 2.079 96 HG2 ARG 13 2HG ARG 13 -9.930 1.338 1.990 97 HG3 ARG 13 1HG ARG 13 -9.309 2.160 3.421 98 HD2 ARG 13 2HD ARG 13 -9.869 4.308 2.459 99 HD3 ARG 13 1HD ARG 13 -10.370 3.529 0.957 100 HE ARG 13 HE ARG 13 -11.751 2.552 3.234 101 HH11 ARG 13 1HH1 ARG 13 -11.706 5.187 0.863 102 HH12 ARG 13 2HH1 ARG 13 -13.367 5.527 0.975 103 HH21 ARG 13 1HH2 ARG 13 -14.072 3.023 3.397 104 HH22 ARG 13 2HH2 ARG 13 -14.735 4.265 2.452 105 H ILE 14 H ILE 14 -7.276 3.241 -2.060 106 HA ILE 14 HA ILE 14 -4.650 1.976 -1.797 107 HB ILE 14 HB ILE 14 -4.412 2.424 -4.251 108 HG12 ILE 14 2HG1 ILE 14 -7.341 3.163 -4.074 109 HG13 ILE 14 1HG1 ILE 14 -6.019 4.283 -4.385 110 HG21 ILE 14 1HG2 ILE 14 -6.758 0.730 -3.435 111 HG22 ILE 14 2HG2 ILE 14 -5.065 0.236 -3.482 112 HG23 ILE 14 3HG2 ILE 14 -5.911 0.631 -4.977 113 HD11 ILE 14 1HD1 ILE 14 -6.842 1.995 -6.148 114 HD12 ILE 14 2HD1 ILE 14 -5.541 3.148 -6.468 115 HD13 ILE 14 3HD1 ILE 14 -7.219 3.699 -6.404 116 H GLY 15 H GLY 15 -6.054 4.834 -1.235 117 HA2 GLY 15 2HA GLY 15 -4.169 6.688 -2.267 118 HA3 GLY 15 1HA GLY 15 -5.268 6.983 -0.926 119 H LEU 16 H LEU 16 -4.059 4.458 0.266 120 HA LEU 16 HA LEU 16 -2.098 5.665 1.900 121 HB2 LEU 16 2HB LEU 16 -2.891 2.786 1.492 122 HB3 LEU 16 1HB LEU 16 -1.574 3.229 2.543 123 HG LEU 16 HG LEU 16 -3.520 2.774 3.856 124 HD11 LEU 16 1HD1 LEU 16 -2.074 4.509 4.678 125 HD12 LEU 16 2HD1 LEU 16 -3.749 4.816 5.125 126 HD13 LEU 16 3HD1 LEU 16 -3.009 5.732 3.814 127 HD21 LEU 16 1HD2 LEU 16 -5.591 4.081 3.688 128 HD22 LEU 16 2HD2 LEU 16 -5.267 3.186 2.202 129 HD23 LEU 16 3HD2 LEU 16 -4.944 4.916 2.276 130 H CYS 17 H CYS 17 -1.890 3.473 -0.884 131 HA CYS 17 HA CYS 17 0.918 4.258 -1.041 132 HB2 CYS 17 2HB CYS 17 -0.029 1.538 -1.907 133 HB3 CYS 17 1HB CYS 17 1.592 2.129 -1.724 134 H GLY 18 H GLY 18 0.427 5.827 -2.477 135 HA2 GLY 18 2HA GLY 18 -0.029 4.831 -5.166 136 HA3 GLY 18 1HA GLY 18 -0.946 6.218 -4.570 137 H ASP 19 H ASP 19 1.353 5.749 -6.582 138 HA ASP 19 HA ASP 19 2.871 7.014 -7.515 139 HB2 ASP 19 2HB ASP 19 1.692 8.871 -7.027 140 HB3 ASP 19 1HB ASP 19 2.077 8.871 -5.319 141 H LYS 20 H LYS 20 3.176 6.170 -4.319 142 HA LYS 20 HA LYS 20 6.097 6.459 -4.427 143 HB2 LYS 20 2HB LYS 20 4.333 6.394 -1.998 144 HB3 LYS 20 1HB LYS 20 6.078 6.669 -2.013 145 HG2 LYS 20 2HG LYS 20 5.749 8.651 -3.400 146 HG3 LYS 20 1HG LYS 20 4.031 8.369 -3.389 147 HD2 LYS 20 2HD LYS 20 3.936 8.635 -1.008 148 HD3 LYS 20 1HD LYS 20 5.673 8.930 -0.934 149 HE2 LYS 20 2HE LYS 20 4.368 11.047 -0.890 150 HE3 LYS 20 1HE LYS 20 5.443 10.938 -2.276 151 HZ1 LYS 20 1HZ LYS 20 3.239 11.797 -2.853 152 HZ2 LYS 20 2HZ LYS 20 2.514 10.388 -2.349 153 HZ3 LYS 20 3HZ LYS 20 3.564 10.377 -3.681 154 H CYS 21 H CYS 21 3.522 4.148 -3.419 155 HA CYS 21 HA CYS 21 5.397 2.023 -3.780 156 HB2 CYS 21 2HB CYS 21 4.433 1.138 -1.493 157 HB3 CYS 21 1HB CYS 21 5.836 2.196 -1.510 158 H THR 22 H THR 22 4.061 -0.126 -3.433 159 HA THR 22 HA THR 22 1.431 0.368 -4.631 160 HB THR 22 HB THR 22 3.379 -1.869 -5.320 161 HG1 THR 22 1HG THR 22 2.648 0.304 -6.992 162 HG21 THR 22 1HG2 THR 22 0.804 -0.984 -6.657 163 HG22 THR 22 2HG2 THR 22 1.000 -2.441 -5.685 164 HG23 THR 22 3HG2 THR 22 1.861 -2.282 -7.217 165 H CYS 23 H CYS 23 -0.228 -1.068 -3.843 166 HA CYS 23 HA CYS 23 0.744 -2.893 -1.800 167 HB2 CYS 23 2HB CYS 23 -1.308 -2.540 -0.553 168 HB3 CYS 23 1HB CYS 23 -0.371 -1.059 -0.704 169 H VAL 24 H VAL 24 -0.048 -4.861 -1.678 170 HA VAL 24 HA VAL 24 -1.828 -5.662 -3.835 171 HB VAL 24 HB VAL 24 0.318 -6.753 -4.096 172 HG11 VAL 24 1HG1 VAL 24 1.225 -6.515 -1.861 173 HG12 VAL 24 2HG1 VAL 24 1.336 -8.196 -2.388 174 HG13 VAL 24 3HG1 VAL 24 0.082 -7.710 -1.248 175 HG21 VAL 24 1HG2 VAL 24 -1.654 -8.710 -2.920 176 HG22 VAL 24 2HG2 VAL 24 -0.286 -9.132 -3.953 177 HG23 VAL 24 3HG2 VAL 24 -1.606 -8.147 -4.589 178 HA PRO 25 HA PRO 25 -4.592 -6.345 -0.333 179 HB2 PRO 25 2HB PRO 25 -6.859 -6.499 -1.798 180 HB3 PRO 25 1HB PRO 25 -6.096 -4.959 -1.391 181 HG2 PRO 25 2HG PRO 25 -6.020 -6.492 -3.949 182 HG3 PRO 25 1HG PRO 25 -6.107 -4.744 -3.696 183 HD2 PRO 25 2HD PRO 25 -3.812 -6.099 -4.345 184 HD3 PRO 25 1HD PRO 25 -3.846 -4.542 -3.502 185 H LEU 26 H LEU 26 -5.145 -8.195 0.607 186 HA LEU 26 HA LEU 26 -5.915 -10.444 -0.970 187 HB2 LEU 26 2HB LEU 26 -4.266 -12.004 -0.071 188 HB3 LEU 26 1HB LEU 26 -3.503 -10.740 -0.999 189 HG LEU 26 HG LEU 26 -3.547 -10.839 2.026 190 HD11 LEU 26 1HD1 LEU 26 -1.387 -11.686 0.092 191 HD12 LEU 26 2HD1 LEU 26 -2.335 -12.754 1.128 192 HD13 LEU 26 3HD1 LEU 26 -1.213 -11.599 1.846 193 HD21 LEU 26 1HD2 LEU 26 -3.165 -8.605 1.129 194 HD22 LEU 26 2HD2 LEU 26 -1.845 -9.217 0.130 195 HD23 LEU 26 3HD2 LEU 26 -1.704 -9.233 1.889 196 HA PRO 27 HA PRO 27 -7.787 -10.462 -1.122 197 HB2 PRO 27 2HB PRO 27 -10.454 -10.324 -0.022 198 HB3 PRO 27 1HB PRO 27 -9.750 -11.608 -1.003 199 HG2 PRO 27 2HG PRO 27 -10.428 -11.947 1.613 200 HG3 PRO 27 1HG PRO 27 -9.109 -12.838 0.833 201 HD2 PRO 27 2HD PRO 27 -8.980 -10.398 2.566 202 HD3 PRO 27 1HD PRO 27 -7.970 -11.862 2.616 203 H ILE 28 H ILE 28 -9.030 -8.682 1.720 204 HA ILE 28 HA ILE 28 -9.641 -6.401 -0.018 205 HB ILE 28 HB ILE 28 -10.390 -6.828 2.897 206 HG12 ILE 28 2HG1 ILE 28 -11.571 -8.414 1.452 207 HG13 ILE 28 1HG1 ILE 28 -12.686 -7.213 2.090 208 HG21 ILE 28 1HG2 ILE 28 -11.281 -4.680 0.978 209 HG22 ILE 28 2HG2 ILE 28 -10.215 -4.470 2.366 210 HG23 ILE 28 3HG2 ILE 28 -11.904 -4.919 2.612 211 HD11 ILE 28 1HD1 ILE 28 -12.614 -6.046 -0.075 212 HD12 ILE 28 2HD1 ILE 28 -13.182 -7.708 -0.218 213 HD13 ILE 28 3HD1 ILE 28 -11.537 -7.299 -0.697 214 H PHE 29 H PHE 29 -8.146 -7.119 3.081 215 HA PHE 29 HA PHE 29 -6.729 -4.664 3.296 216 HB2 PHE 29 2HB PHE 29 -7.400 -6.017 5.254 217 HB3 PHE 29 1HB PHE 29 -6.389 -7.338 4.693 218 HD1 PHE 29 1HD PHE 29 -6.473 -4.087 6.340 219 HD2 PHE 29 2HD PHE 29 -3.960 -7.219 4.924 220 HE1 PHE 29 1HE PHE 29 -4.616 -3.206 7.684 221 HE2 PHE 29 2HE PHE 29 -2.097 -6.338 6.262 222 HZ PHE 29 HZ PHE 29 -2.419 -4.333 7.645 223 H GLY 30 H GLY 30 -4.579 -4.284 2.692 224 HA2 GLY 30 2HA GLY 30 -3.232 -6.528 1.428 225 HA3 GLY 30 1HA GLY 30 -3.450 -5.010 0.557 226 H LEU 31 H LEU 31 -1.047 -6.246 1.147 227 HA LEU 31 HA LEU 31 0.114 -4.526 3.191 228 HB2 LEU 31 2HB LEU 31 1.288 -6.826 1.641 229 HB3 LEU 31 1HB LEU 31 2.158 -5.878 2.829 230 HG LEU 31 HG LEU 31 -0.238 -7.620 3.386 231 HD11 LEU 31 1HD1 LEU 31 1.373 -8.993 4.600 232 HD12 LEU 31 2HD1 LEU 31 2.679 -7.957 4.026 233 HD13 LEU 31 3HD1 LEU 31 1.738 -8.908 2.876 234 HD21 LEU 31 1HD2 LEU 31 0.262 -7.160 5.743 235 HD22 LEU 31 2HD2 LEU 31 -0.172 -5.691 4.879 236 HD23 LEU 31 3HD2 LEU 31 1.520 -6.027 5.257 237 H CYS 32 H CYS 32 1.660 -3.086 2.729 238 HA CYS 32 HA CYS 32 1.708 -2.209 -0.041 239 HB2 CYS 32 2HB CYS 32 1.027 -0.702 1.873 240 HB3 CYS 32 1HB CYS 32 2.716 -0.768 2.388 241 H VAL 33 H VAL 33 3.671 -1.876 -1.098 242 HA VAL 33 HA VAL 33 6.092 -2.480 0.308 243 HB VAL 33 HB VAL 33 5.373 -4.696 -0.455 244 HG11 VAL 33 1HG1 VAL 33 5.156 -5.266 -2.827 245 HG12 VAL 33 2HG1 VAL 33 5.319 -3.561 -3.241 246 HG13 VAL 33 3HG1 VAL 33 3.934 -4.108 -2.298 247 HG21 VAL 33 1HG2 VAL 33 7.764 -4.260 -0.447 248 HG22 VAL 33 2HG2 VAL 33 7.675 -3.647 -2.099 249 HG23 VAL 33 3HG2 VAL 33 7.341 -5.348 -1.770 250 HA PRO 34 HA PRO 34 7.306 0.673 -2.641 251 HB2 PRO 34 2HB PRO 34 9.898 0.876 -1.804 252 HB3 PRO 34 1HB PRO 34 8.565 1.670 -0.960 253 HG2 PRO 34 2HG PRO 34 10.021 -0.839 -0.292 254 HG3 PRO 34 1HG PRO 34 9.390 0.409 0.795 255 HD2 PRO 34 2HD PRO 34 8.163 -1.999 0.329 256 HD3 PRO 34 1HD PRO 34 7.300 -0.536 0.839 257 H ASP 35 H ASP 35 7.633 -0.010 -4.652 258 HA ASP 35 HA ASP 35 9.083 -2.462 -5.145 259 HB2 ASP 35 2HB ASP 35 7.002 -2.024 -6.393 260 HB3 ASP 35 1HB ASP 35 7.762 -0.592 -7.089 261 H VAL 36 H VAL 36 9.358 0.898 -6.113 262 HA VAL 36 HA VAL 36 12.045 0.300 -6.975 263 HB VAL 36 HB VAL 36 11.968 2.589 -8.120 264 HG11 VAL 36 1HG1 VAL 36 10.651 1.733 -10.020 265 HG12 VAL 36 2HG1 VAL 36 10.025 0.450 -8.983 266 HG13 VAL 36 3HG1 VAL 36 11.745 0.518 -9.360 267 HG21 VAL 36 1HG2 VAL 36 9.742 3.507 -8.628 268 HG22 VAL 36 2HG2 VAL 36 10.050 3.533 -6.889 269 HG23 VAL 36 3HG2 VAL 36 9.004 2.294 -7.579 Start of MODEL 9 1 H1 LEU 1 1HT LEU 1 15.611 6.929 0.921 2 H2 LEU 1 2HT LEU 1 15.301 8.167 -0.150 3 H3 LEU 1 3HT LEU 1 16.327 6.927 -0.616 4 HA LEU 1 HA LEU 1 14.182 6.695 -1.650 5 HB2 LEU 1 2HB LEU 1 14.611 4.688 0.569 6 HB3 LEU 1 1HB LEU 1 13.511 4.460 -0.772 7 HG LEU 1 HG LEU 1 16.488 4.710 -0.951 8 HD11 LEU 1 1HD1 LEU 1 15.795 2.602 0.050 9 HD12 LEU 1 2HD1 LEU 1 16.404 2.320 -1.583 10 HD13 LEU 1 3HD1 LEU 1 14.668 2.323 -1.277 11 HD21 LEU 1 1HD2 LEU 1 15.453 5.583 -2.955 12 HD22 LEU 1 2HD2 LEU 1 14.440 4.149 -3.077 13 HD23 LEU 1 3HD2 LEU 1 16.185 4.015 -3.304 14 HA PRO 2 HA PRO 2 10.682 8.131 0.723 15 HB2 PRO 2 2HB PRO 2 8.720 7.251 -0.893 16 HB3 PRO 2 1HB PRO 2 9.755 8.602 -1.373 17 HG2 PRO 2 2HG PRO 2 9.905 5.720 -2.184 18 HG3 PRO 2 1HG PRO 2 10.073 7.173 -3.188 19 HD2 PRO 2 2HD PRO 2 12.237 5.759 -2.266 20 HD3 PRO 2 1HD PRO 2 12.277 7.504 -2.550 21 H ARG 3 H ARG 3 9.047 7.380 1.977 22 HA ARG 3 HA ARG 3 9.265 4.522 2.581 23 HB2 ARG 3 2HB ARG 3 8.242 6.788 4.283 24 HB3 ARG 3 1HB ARG 3 8.263 5.101 4.740 25 HG2 ARG 3 2HG ARG 3 10.734 5.138 4.561 26 HG3 ARG 3 1HG ARG 3 10.632 6.879 4.264 27 HD2 ARG 3 2HD ARG 3 11.065 6.546 6.591 28 HD3 ARG 3 1HD ARG 3 9.403 7.109 6.420 29 HE ARG 3 HE ARG 3 10.213 4.330 6.918 30 HH11 ARG 3 1HH1 ARG 3 7.702 6.883 7.249 31 HH12 ARG 3 2HH1 ARG 3 6.804 5.973 8.368 32 HH21 ARG 3 1HH2 ARG 3 8.885 3.164 8.506 33 HH22 ARG 3 2HH2 ARG 3 7.469 3.902 9.106 34 H CYS 4 H CYS 4 7.184 3.628 3.493 35 HA CYS 4 HA CYS 4 5.093 4.144 1.576 36 HB2 CYS 4 2HB CYS 4 5.156 2.157 3.861 37 HB3 CYS 4 1HB CYS 4 4.087 2.129 2.463 38 H ASP 5 H ASP 5 5.688 4.351 5.038 39 HA ASP 5 HA ASP 5 4.823 5.526 6.729 40 HB2 ASP 5 2HB ASP 5 3.947 7.301 4.468 41 HB3 ASP 5 1HB ASP 5 3.562 7.698 6.137 42 H SER 6 H SER 6 3.122 3.441 5.389 43 HA SER 6 HA SER 6 0.780 3.914 7.002 44 HB2 SER 6 2HB SER 6 0.609 3.366 4.019 45 HB3 SER 6 1HB SER 6 -0.753 3.268 5.134 46 HG SER 6 HG SER 6 0.789 5.550 4.470 47 HA PRO 7 HA PRO 7 1.675 -0.334 7.863 48 HB2 PRO 7 2HB PRO 7 -0.832 -1.126 8.719 49 HB3 PRO 7 1HB PRO 7 0.339 -0.275 9.729 50 HG2 PRO 7 2HG PRO 7 -2.027 0.799 8.255 51 HG3 PRO 7 1HG PRO 7 -1.404 1.250 9.849 52 HD2 PRO 7 2HD PRO 7 -0.986 2.751 7.642 53 HD3 PRO 7 1HD PRO 7 0.203 2.649 8.961 54 H PHE 8 H PHE 8 -1.605 -0.037 6.480 55 HA PHE 8 HA PHE 8 -0.882 -1.899 4.351 56 HB2 PHE 8 2HB PHE 8 -3.384 -2.132 6.057 57 HB3 PHE 8 1HB PHE 8 -3.026 -3.086 4.631 58 HD1 PHE 8 1HD PHE 8 -0.721 -4.408 4.802 59 HD2 PHE 8 2HD PHE 8 -3.039 -3.061 8.095 60 HE1 PHE 8 1HE PHE 8 0.307 -6.129 6.229 61 HE2 PHE 8 2HE PHE 8 -2.018 -4.772 9.522 62 HZ PHE 8 HZ PHE 8 -0.336 -6.312 8.585 63 H CYS 9 H CYS 9 -2.787 -1.898 2.798 64 HA CYS 9 HA CYS 9 -4.291 0.613 2.916 65 HB2 CYS 9 2HB CYS 9 -4.050 0.944 0.544 66 HB3 CYS 9 1HB CYS 9 -2.428 0.656 1.158 67 H SER 10 H SER 10 -5.972 -0.006 0.722 68 HA SER 10 HA SER 10 -6.844 -2.726 1.083 69 HB2 SER 10 2HB SER 10 -8.649 -0.346 1.646 70 HB3 SER 10 1HB SER 10 -9.154 -2.037 1.613 71 HG SER 10 HG SER 10 -7.091 -1.902 3.206 72 H LEU 11 H LEU 11 -8.498 -3.217 -0.623 73 HA LEU 11 HA LEU 11 -7.729 -2.111 -3.088 74 HB2 LEU 11 2HB LEU 11 -9.535 -3.451 -4.107 75 HB3 LEU 11 1HB LEU 11 -8.589 -4.360 -2.954 76 HG LEU 11 HG LEU 11 -10.540 -3.867 -1.311 77 HD11 LEU 11 1HD1 LEU 11 -11.944 -3.431 -3.933 78 HD12 LEU 11 2HD1 LEU 11 -11.711 -2.238 -2.657 79 HD13 LEU 11 3HD1 LEU 11 -12.723 -3.653 -2.367 80 HD21 LEU 11 1HD2 LEU 11 -11.704 -5.865 -2.033 81 HD22 LEU 11 2HD2 LEU 11 -9.958 -6.083 -2.214 82 HD23 LEU 11 3HD2 LEU 11 -10.960 -5.745 -3.621 83 H PHE 12 H PHE 12 -10.069 -1.149 -0.872 84 HA PHE 12 HA PHE 12 -11.404 0.731 -2.599 85 HB2 PHE 12 2HB PHE 12 -11.402 0.506 0.427 86 HB3 PHE 12 1HB PHE 12 -12.416 1.605 -0.492 87 HD1 PHE 12 1HD PHE 12 -14.163 0.655 -2.015 88 HD2 PHE 12 2HD PHE 12 -12.028 -1.739 0.788 89 HE1 PHE 12 1HE PHE 12 -15.901 -1.070 -2.166 90 HE2 PHE 12 2HE PHE 12 -13.764 -3.470 0.627 91 HZ PHE 12 HZ PHE 12 -15.700 -3.139 -0.841 92 H ARG 13 H ARG 13 -9.151 0.950 0.125 93 HA ARG 13 HA ARG 13 -8.455 3.680 -0.694 94 HB2 ARG 13 2HB ARG 13 -7.989 2.293 1.939 95 HB3 ARG 13 1HB ARG 13 -7.562 3.956 1.568 96 HG2 ARG 13 2HG ARG 13 -10.322 2.777 1.836 97 HG3 ARG 13 1HG ARG 13 -9.538 3.932 2.912 98 HD2 ARG 13 2HD ARG 13 -10.439 4.382 0.075 99 HD3 ARG 13 1HD ARG 13 -11.124 5.097 1.531 100 HE ARG 13 HE ARG 13 -8.719 6.052 1.720 101 HH11 ARG 13 1HH1 ARG 13 -10.710 5.724 -1.202 102 HH12 ARG 13 2HH1 ARG 13 -9.914 6.957 -2.049 103 HH21 ARG 13 1HH2 ARG 13 -7.639 7.784 0.523 104 HH22 ARG 13 2HH2 ARG 13 -8.168 8.150 -1.064 105 H ILE 14 H ILE 14 -7.006 3.122 -2.293 106 HA ILE 14 HA ILE 14 -4.635 1.625 -1.458 107 HB ILE 14 HB ILE 14 -3.937 1.784 -3.850 108 HG12 ILE 14 2HG1 ILE 14 -6.690 2.972 -4.272 109 HG13 ILE 14 1HG1 ILE 14 -5.171 3.848 -4.427 110 HG21 ILE 14 1HG2 ILE 14 -5.585 0.188 -4.726 111 HG22 ILE 14 2HG2 ILE 14 -6.637 0.553 -3.353 112 HG23 ILE 14 3HG2 ILE 14 -5.065 -0.199 -3.085 113 HD11 ILE 14 1HD1 ILE 14 -4.544 2.386 -6.287 114 HD12 ILE 14 2HD1 ILE 14 -6.056 3.244 -6.590 115 HD13 ILE 14 3HD1 ILE 14 -6.083 1.539 -6.121 116 H GLY 15 H GLY 15 -5.799 4.636 -1.417 117 HA2 GLY 15 2HA GLY 15 -3.675 6.261 -2.312 118 HA3 GLY 15 1HA GLY 15 -4.976 6.753 -1.241 119 H LEU 16 H LEU 16 -3.802 4.259 0.339 120 HA LEU 16 HA LEU 16 -2.172 5.775 2.119 121 HB2 LEU 16 2HB LEU 16 -2.660 2.807 1.891 122 HB3 LEU 16 1HB LEU 16 -1.596 3.485 3.100 123 HG LEU 16 HG LEU 16 -3.596 2.988 4.188 124 HD11 LEU 16 1HD1 LEU 16 -2.718 5.108 4.851 125 HD12 LEU 16 2HD1 LEU 16 -4.475 5.097 4.967 126 HD13 LEU 16 3HD1 LEU 16 -3.688 5.931 3.627 127 HD21 LEU 16 1HD2 LEU 16 -5.080 4.385 1.981 128 HD22 LEU 16 2HD2 LEU 16 -5.815 3.774 3.463 129 HD23 LEU 16 3HD2 LEU 16 -5.072 2.655 2.319 130 H CYS 17 H CYS 17 -1.562 3.484 -0.491 131 HA CYS 17 HA CYS 17 1.237 4.282 -0.372 132 HB2 CYS 17 2HB CYS 17 0.274 1.500 -1.072 133 HB3 CYS 17 1HB CYS 17 1.928 2.062 -1.084 134 H GLY 18 H GLY 18 0.711 5.842 -1.899 135 HA2 GLY 18 2HA GLY 18 0.623 4.702 -4.578 136 HA3 GLY 18 1HA GLY 18 -0.363 6.107 -4.154 137 H ASP 19 H ASP 19 2.269 5.374 -5.766 138 HA ASP 19 HA ASP 19 4.112 6.397 -6.482 139 HB2 ASP 19 2HB ASP 19 2.626 8.302 -6.705 140 HB3 ASP 19 1HB ASP 19 2.989 8.829 -5.070 141 H LYS 20 H LYS 20 3.589 5.927 -3.325 142 HA LYS 20 HA LYS 20 6.269 6.654 -2.418 143 HB2 LYS 20 2HB LYS 20 3.881 5.580 -0.931 144 HB3 LYS 20 1HB LYS 20 5.384 6.141 -0.203 145 HG2 LYS 20 2HG LYS 20 5.000 8.364 -0.989 146 HG3 LYS 20 1HG LYS 20 3.591 7.837 -1.893 147 HD2 LYS 20 2HD LYS 20 2.488 7.196 0.136 148 HD3 LYS 20 1HD LYS 20 3.872 7.730 1.096 149 HE2 LYS 20 2HE LYS 20 2.084 9.429 1.056 150 HE3 LYS 20 1HE LYS 20 3.573 10.015 0.322 151 HZ1 LYS 20 1HZ LYS 20 1.621 10.622 -0.973 152 HZ2 LYS 20 2HZ LYS 20 1.177 9.032 -1.164 153 HZ3 LYS 20 3HZ LYS 20 2.592 9.602 -1.886 154 H CYS 21 H CYS 21 3.994 3.907 -2.317 155 HA CYS 21 HA CYS 21 6.091 2.014 -2.842 156 HB2 CYS 21 2HB CYS 21 4.291 1.869 -0.410 157 HB3 CYS 21 1HB CYS 21 5.335 0.581 -0.969 158 H THR 22 H THR 22 4.719 -0.255 -2.742 159 HA THR 22 HA THR 22 2.285 0.340 -4.208 160 HB THR 22 HB THR 22 4.389 -1.762 -4.773 161 HG1 THR 22 1HG THR 22 4.951 0.272 -5.474 162 HG21 THR 22 1HG2 THR 22 3.017 -2.341 -6.763 163 HG22 THR 22 2HG2 THR 22 1.755 -1.237 -6.211 164 HG23 THR 22 3HG2 THR 22 2.153 -2.669 -5.265 165 H CYS 23 H CYS 23 0.510 -0.771 -3.460 166 HA CYS 23 HA CYS 23 1.139 -2.935 -1.641 167 HB2 CYS 23 2HB CYS 23 -0.766 -2.320 -0.257 168 HB3 CYS 23 1HB CYS 23 0.393 -1.006 -0.360 169 H VAL 24 H VAL 24 0.225 -4.752 -1.968 170 HA VAL 24 HA VAL 24 -1.641 -5.023 -4.204 171 HB VAL 24 HB VAL 24 -0.088 -7.133 -2.666 172 HG11 VAL 24 1HG1 VAL 24 -2.068 -8.047 -3.711 173 HG12 VAL 24 2HG1 VAL 24 -0.623 -8.620 -4.544 174 HG13 VAL 24 3HG1 VAL 24 -1.606 -7.345 -5.260 175 HG21 VAL 24 1HG2 VAL 24 1.390 -7.246 -4.640 176 HG22 VAL 24 2HG2 VAL 24 1.456 -5.682 -3.830 177 HG23 VAL 24 3HG2 VAL 24 0.544 -5.858 -5.328 178 HA PRO 25 HA PRO 25 -4.575 -5.671 -0.786 179 HB2 PRO 25 2HB PRO 25 -6.671 -5.869 -2.779 180 HB3 PRO 25 1HB PRO 25 -6.390 -4.593 -1.592 181 HG2 PRO 25 2HG PRO 25 -6.071 -4.237 -4.285 182 HG3 PRO 25 1HG PRO 25 -5.186 -3.312 -3.058 183 HD2 PRO 25 2HD PRO 25 -4.284 -5.660 -4.681 184 HD3 PRO 25 1HD PRO 25 -3.406 -4.179 -4.228 185 H LEU 26 H LEU 26 -4.722 -7.621 0.106 186 HA LEU 26 HA LEU 26 -5.974 -9.723 -1.342 187 HB2 LEU 26 2HB LEU 26 -4.286 -11.441 -0.910 188 HB3 LEU 26 1HB LEU 26 -3.667 -10.196 -1.969 189 HG LEU 26 HG LEU 26 -2.999 -10.281 0.984 190 HD11 LEU 26 1HD1 LEU 26 -1.505 -11.526 -1.316 191 HD12 LEU 26 2HD1 LEU 26 -2.319 -12.406 -0.012 192 HD13 LEU 26 3HD1 LEU 26 -0.921 -11.382 0.341 193 HD21 LEU 26 1HD2 LEU 26 -1.034 -9.035 0.280 194 HD22 LEU 26 2HD2 LEU 26 -2.522 -8.198 -0.167 195 HD23 LEU 26 3HD2 LEU 26 -1.601 -9.075 -1.388 196 HA PRO 27 HA PRO 27 -7.752 -10.258 -1.060 197 HB2 PRO 27 2HB PRO 27 -10.133 -10.099 0.521 198 HB3 PRO 27 1HB PRO 27 -9.497 -11.505 -0.329 199 HG2 PRO 27 2HG PRO 27 -9.655 -11.272 2.419 200 HG3 PRO 27 1HG PRO 27 -8.569 -12.367 1.556 201 HD2 PRO 27 2HD PRO 27 -7.975 -9.712 2.805 202 HD3 PRO 27 1HD PRO 27 -6.979 -11.176 2.726 203 H ILE 28 H ILE 28 -9.047 -8.361 1.688 204 HA ILE 28 HA ILE 28 -9.687 -6.237 -0.183 205 HB ILE 28 HB ILE 28 -10.460 -6.485 2.744 206 HG12 ILE 28 2HG1 ILE 28 -12.102 -6.931 0.240 207 HG13 ILE 28 1HG1 ILE 28 -11.484 -8.207 1.282 208 HG21 ILE 28 1HG2 ILE 28 -10.360 -4.152 2.013 209 HG22 ILE 28 2HG2 ILE 28 -12.026 -4.656 2.289 210 HG23 ILE 28 3HG2 ILE 28 -11.408 -4.530 0.645 211 HD11 ILE 28 1HD1 ILE 28 -13.454 -6.082 2.080 212 HD12 ILE 28 2HD1 ILE 28 -12.871 -7.397 3.105 213 HD13 ILE 28 3HD1 ILE 28 -13.842 -7.754 1.676 214 H PHE 29 H PHE 29 -7.817 -6.790 2.784 215 HA PHE 29 HA PHE 29 -6.753 -4.104 2.628 216 HB2 PHE 29 2HB PHE 29 -5.589 -4.563 4.689 217 HB3 PHE 29 1HB PHE 29 -7.187 -5.263 4.864 218 HD1 PHE 29 1HD PHE 29 -7.454 -7.748 4.782 219 HD2 PHE 29 2HD PHE 29 -3.624 -5.883 4.753 220 HE1 PHE 29 1HE PHE 29 -6.399 -9.881 5.400 221 HE2 PHE 29 2HE PHE 29 -2.574 -8.009 5.368 222 HZ PHE 29 HZ PHE 29 -3.959 -10.011 5.691 223 H GLY 30 H GLY 30 -4.483 -3.726 2.295 224 HA2 GLY 30 2HA GLY 30 -3.259 -5.928 0.776 225 HA3 GLY 30 1HA GLY 30 -3.277 -4.275 0.157 226 H LEU 31 H LEU 31 -1.195 -6.178 0.743 227 HA LEU 31 HA LEU 31 0.297 -5.129 2.991 228 HB2 LEU 31 2HB LEU 31 1.110 -7.046 0.795 229 HB3 LEU 31 1HB LEU 31 2.030 -6.703 2.243 230 HG LEU 31 HG LEU 31 -0.663 -8.073 2.171 231 HD11 LEU 31 1HD1 LEU 31 0.583 -10.074 2.796 232 HD12 LEU 31 2HD1 LEU 31 2.096 -9.177 2.668 233 HD13 LEU 31 3HD1 LEU 31 1.109 -9.454 1.231 234 HD21 LEU 31 1HD2 LEU 31 1.246 -7.578 4.450 235 HD22 LEU 31 2HD2 LEU 31 -0.218 -8.559 4.531 236 HD23 LEU 31 3HD2 LEU 31 -0.332 -6.825 4.227 237 H CYS 32 H CYS 32 1.711 -3.529 2.822 238 HA CYS 32 HA CYS 32 2.050 -2.320 0.190 239 HB2 CYS 32 2HB CYS 32 1.086 -0.972 2.066 240 HB3 CYS 32 1HB CYS 32 2.637 -1.134 2.899 241 H VAL 33 H VAL 33 3.873 -2.713 -0.812 242 HA VAL 33 HA VAL 33 6.227 -3.248 0.812 243 HB VAL 33 HB VAL 33 5.476 -5.292 -0.328 244 HG11 VAL 33 1HG1 VAL 33 5.757 -3.777 -2.907 245 HG12 VAL 33 2HG1 VAL 33 4.257 -4.352 -2.179 246 HG13 VAL 33 3HG1 VAL 33 5.459 -5.508 -2.757 247 HG21 VAL 33 1HG2 VAL 33 7.521 -5.876 -1.559 248 HG22 VAL 33 2HG2 VAL 33 7.870 -5.039 -0.048 249 HG23 VAL 33 3HG2 VAL 33 7.983 -4.173 -1.581 250 HA PRO 34 HA PRO 34 7.840 0.303 -1.337 251 HB2 PRO 34 2HB PRO 34 10.457 -0.037 -0.658 252 HB3 PRO 34 1HB PRO 34 9.264 0.659 0.446 253 HG2 PRO 34 2HG PRO 34 10.333 -2.136 0.331 254 HG3 PRO 34 1HG PRO 34 9.993 -1.135 1.751 255 HD2 PRO 34 2HD PRO 34 8.327 -3.077 0.913 256 HD3 PRO 34 1HD PRO 34 7.737 -1.593 1.688 257 H ASP 35 H ASP 35 7.894 0.099 -3.447 258 HA ASP 35 HA ASP 35 9.192 -2.149 -4.725 259 HB2 ASP 35 2HB ASP 35 8.286 -1.139 -6.774 260 HB3 ASP 35 1HB ASP 35 7.047 -1.560 -5.571 261 H VAL 36 H VAL 36 10.074 0.784 -3.729 262 HA VAL 36 HA VAL 36 11.764 1.450 -5.967 263 HB VAL 36 HB VAL 36 11.748 2.848 -3.287 264 HG11 VAL 36 1HG1 VAL 36 13.639 3.339 -4.766 265 HG12 VAL 36 2HG1 VAL 36 12.602 4.746 -4.532 266 HG13 VAL 36 3HG1 VAL 36 12.511 3.824 -6.033 267 HG21 VAL 36 1HG2 VAL 36 10.165 4.433 -4.250 268 HG22 VAL 36 2HG2 VAL 36 9.480 2.808 -4.150 269 HG23 VAL 36 3HG2 VAL 36 10.048 3.436 -5.700 Start of MODEL 10 1 H1 LEU 1 1HT LEU 1 15.513 4.381 5.191 2 H2 LEU 1 2HT LEU 1 15.682 3.153 6.333 3 H3 LEU 1 3HT LEU 1 14.413 4.274 6.442 4 HA LEU 1 HA LEU 1 14.736 2.385 4.218 5 HB2 LEU 1 2HB LEU 1 12.849 2.357 6.580 6 HB3 LEU 1 1HB LEU 1 12.624 1.386 5.146 7 HG LEU 1 HG LEU 1 15.002 1.177 6.972 8 HD11 LEU 1 1HD1 LEU 1 12.530 -0.549 6.777 9 HD12 LEU 1 2HD1 LEU 1 12.948 0.507 8.124 10 HD13 LEU 1 3HD1 LEU 1 13.946 -0.902 7.767 11 HD21 LEU 1 1HD2 LEU 1 15.377 -0.947 5.790 12 HD22 LEU 1 2HD2 LEU 1 15.471 0.441 4.713 13 HD23 LEU 1 3HD2 LEU 1 14.028 -0.573 4.718 14 HA PRO 2 HA PRO 2 11.923 5.236 2.249 15 HB2 PRO 2 2HB PRO 2 11.024 3.610 0.290 16 HB3 PRO 2 1HB PRO 2 12.653 4.298 0.247 17 HG2 PRO 2 2HG PRO 2 11.764 1.560 1.077 18 HG3 PRO 2 1HG PRO 2 13.167 2.025 0.100 19 HD2 PRO 2 2HD PRO 2 13.349 1.410 2.754 20 HD3 PRO 2 1HD PRO 2 14.434 2.562 1.956 21 H ARG 3 H ARG 3 9.994 5.773 2.792 22 HA ARG 3 HA ARG 3 8.241 3.657 3.766 23 HB2 ARG 3 2HB ARG 3 8.329 6.556 4.569 24 HB3 ARG 3 1HB ARG 3 7.172 5.370 5.146 25 HG2 ARG 3 2HG ARG 3 9.081 4.064 6.080 26 HG3 ARG 3 1HG ARG 3 10.137 5.414 5.646 27 HD2 ARG 3 2HD ARG 3 9.510 5.630 7.954 28 HD3 ARG 3 1HD ARG 3 8.710 6.894 7.016 29 HE ARG 3 HE ARG 3 7.215 4.447 7.500 30 HH11 ARG 3 1HH1 ARG 3 7.731 7.822 8.413 31 HH12 ARG 3 2HH1 ARG 3 6.245 7.977 9.210 32 HH21 ARG 3 1HH2 ARG 3 5.186 4.655 8.605 33 HH22 ARG 3 2HH2 ARG 3 4.773 6.144 9.339 34 H CYS 4 H CYS 4 6.096 3.756 3.249 35 HA CYS 4 HA CYS 4 5.624 5.031 0.667 36 HB2 CYS 4 2HB CYS 4 4.223 2.814 2.118 37 HB3 CYS 4 1HB CYS 4 3.814 3.372 0.502 38 H ASP 5 H ASP 5 5.017 5.572 3.862 39 HA ASP 5 HA ASP 5 3.719 6.933 5.076 40 HB2 ASP 5 2HB ASP 5 2.521 7.733 2.434 41 HB3 ASP 5 1HB ASP 5 2.178 8.559 3.959 42 H SER 6 H SER 6 2.973 4.257 3.918 43 HA SER 6 HA SER 6 0.073 4.311 4.302 44 HB2 SER 6 2HB SER 6 1.771 2.128 3.128 45 HB3 SER 6 1HB SER 6 0.017 2.289 3.045 46 HG SER 6 HG SER 6 0.734 3.054 1.151 47 HA PRO 7 HA PRO 7 1.106 2.021 8.104 48 HB2 PRO 7 2HB PRO 7 -1.433 2.102 9.122 49 HB3 PRO 7 1HB PRO 7 -0.284 3.429 9.309 50 HG2 PRO 7 2HG PRO 7 -2.580 3.162 7.430 51 HG3 PRO 7 1HG PRO 7 -1.972 4.600 8.262 52 HD2 PRO 7 2HD PRO 7 -1.490 3.999 5.635 53 HD3 PRO 7 1HD PRO 7 -0.439 5.031 6.622 54 H PHE 8 H PHE 8 -1.272 1.596 5.677 55 HA PHE 8 HA PHE 8 -0.954 -1.164 5.383 56 HB2 PHE 8 2HB PHE 8 -3.231 -1.905 5.923 57 HB3 PHE 8 1HB PHE 8 -2.571 -1.148 7.363 58 HD1 PHE 8 1HD PHE 8 -3.310 1.215 7.920 59 HD2 PHE 8 2HD PHE 8 -5.226 -1.139 4.940 60 HE1 PHE 8 1HE PHE 8 -5.278 2.694 8.010 61 HE2 PHE 8 2HE PHE 8 -7.182 0.324 5.029 62 HZ PHE 8 HZ PHE 8 -7.213 2.251 6.560 63 H CYS 9 H CYS 9 -2.822 -1.732 3.640 64 HA CYS 9 HA CYS 9 -3.828 0.590 2.269 65 HB2 CYS 9 2HB CYS 9 -1.524 0.178 1.309 66 HB3 CYS 9 1HB CYS 9 -2.071 -1.431 0.852 67 H SER 10 H SER 10 -5.352 -0.277 0.513 68 HA SER 10 HA SER 10 -6.169 -3.046 0.791 69 HB2 SER 10 2HB SER 10 -8.108 -0.846 1.541 70 HB3 SER 10 1HB SER 10 -8.380 -2.582 1.622 71 HG SER 10 HG SER 10 -6.252 -2.103 3.051 72 H LEU 11 H LEU 11 -7.900 -3.495 -0.792 73 HA LEU 11 HA LEU 11 -7.707 -2.182 -3.257 74 HB2 LEU 11 2HB LEU 11 -10.012 -3.795 -2.160 75 HB3 LEU 11 1HB LEU 11 -9.821 -3.349 -3.839 76 HG LEU 11 HG LEU 11 -7.944 -5.147 -2.301 77 HD11 LEU 11 1HD1 LEU 11 -10.022 -5.799 -4.388 78 HD12 LEU 11 2HD1 LEU 11 -10.136 -6.175 -2.669 79 HD13 LEU 11 3HD1 LEU 11 -8.892 -6.941 -3.658 80 HD21 LEU 11 1HD2 LEU 11 -6.805 -3.939 -4.074 81 HD22 LEU 11 2HD2 LEU 11 -8.071 -4.391 -5.215 82 HD23 LEU 11 3HD2 LEU 11 -7.022 -5.630 -4.527 83 H PHE 12 H PHE 12 -9.640 -1.439 -0.506 84 HA PHE 12 HA PHE 12 -11.129 0.597 -2.008 85 HB2 PHE 12 2HB PHE 12 -11.651 -0.525 0.753 86 HB3 PHE 12 1HB PHE 12 -12.664 0.644 -0.090 87 HD1 PHE 12 1HD PHE 12 -11.793 -2.851 0.277 88 HD2 PHE 12 2HD PHE 12 -13.859 -0.034 -2.147 89 HE1 PHE 12 1HE PHE 12 -12.989 -4.683 -0.833 90 HE2 PHE 12 2HE PHE 12 -15.058 -1.860 -3.251 91 HZ PHE 12 HZ PHE 12 -14.618 -4.192 -2.597 92 H ARG 13 H ARG 13 -8.356 0.406 -0.391 93 HA ARG 13 HA ARG 13 -8.420 3.209 0.383 94 HB2 ARG 13 2HB ARG 13 -7.345 1.021 2.216 95 HB3 ARG 13 1HB ARG 13 -6.954 2.705 2.383 96 HG2 ARG 13 2HG ARG 13 -8.530 2.138 4.070 97 HG3 ARG 13 1HG ARG 13 -9.365 3.143 2.895 98 HD2 ARG 13 2HD ARG 13 -10.598 1.333 2.069 99 HD3 ARG 13 1HD ARG 13 -9.492 0.150 2.763 100 HE ARG 13 HE ARG 13 -10.297 0.843 4.941 101 HH11 ARG 13 1HH1 ARG 13 -12.466 1.743 2.241 102 HH12 ARG 13 2HH1 ARG 13 -13.871 1.412 3.132 103 HH21 ARG 13 1HH2 ARG 13 -12.290 0.462 6.127 104 HH22 ARG 13 2HH2 ARG 13 -13.778 0.733 5.340 105 H ILE 14 H ILE 14 -7.285 3.261 -1.679 106 HA ILE 14 HA ILE 14 -4.580 2.124 -1.572 107 HB ILE 14 HB ILE 14 -4.482 2.633 -4.028 108 HG12 ILE 14 2HG1 ILE 14 -7.442 3.130 -3.708 109 HG13 ILE 14 1HG1 ILE 14 -6.248 4.378 -4.058 110 HG21 ILE 14 1HG2 ILE 14 -6.658 0.760 -3.130 111 HG22 ILE 14 2HG2 ILE 14 -4.941 0.388 -3.284 112 HG23 ILE 14 3HG2 ILE 14 -5.900 0.755 -4.720 113 HD11 ILE 14 1HD1 ILE 14 -5.781 3.284 -6.200 114 HD12 ILE 14 2HD1 ILE 14 -7.484 3.722 -6.047 115 HD13 ILE 14 3HD1 ILE 14 -6.976 2.047 -5.818 116 H GLY 15 H GLY 15 -6.181 4.885 -0.942 117 HA2 GLY 15 2HA GLY 15 -4.511 6.835 -2.154 118 HA3 GLY 15 1HA GLY 15 -5.646 7.107 -0.842 119 H LEU 16 H LEU 16 -4.005 4.797 0.483 120 HA LEU 16 HA LEU 16 -2.375 6.451 2.086 121 HB2 LEU 16 2HB LEU 16 -2.374 3.452 1.747 122 HB3 LEU 16 1HB LEU 16 -1.362 4.286 2.891 123 HG LEU 16 HG LEU 16 -3.135 3.394 4.119 124 HD11 LEU 16 1HD1 LEU 16 -4.308 5.268 5.048 125 HD12 LEU 16 2HD1 LEU 16 -3.836 6.264 3.673 126 HD13 LEU 16 3HD1 LEU 16 -2.603 5.640 4.773 127 HD21 LEU 16 1HD2 LEU 16 -4.672 2.848 2.348 128 HD22 LEU 16 2HD2 LEU 16 -5.035 4.554 2.106 129 HD23 LEU 16 3HD2 LEU 16 -5.508 3.758 3.609 130 H CYS 17 H CYS 17 -1.666 4.227 -0.566 131 HA CYS 17 HA CYS 17 1.129 4.972 -0.498 132 HB2 CYS 17 2HB CYS 17 -0.242 3.187 -2.562 133 HB3 CYS 17 1HB CYS 17 1.462 3.295 -2.183 134 H GLY 18 H GLY 18 1.210 7.101 -1.086 135 HA2 GLY 18 2HA GLY 18 -0.425 8.102 -3.217 136 HA3 GLY 18 1HA GLY 18 0.770 8.999 -2.294 137 H ASP 19 H ASP 19 0.557 6.414 -4.673 138 HA ASP 19 HA ASP 19 1.526 5.993 -6.669 139 HB2 ASP 19 2HB ASP 19 1.092 8.331 -7.077 140 HB3 ASP 19 1HB ASP 19 2.667 8.776 -6.441 141 H LYS 20 H LYS 20 3.355 6.920 -4.065 142 HA LYS 20 HA LYS 20 6.008 6.515 -4.956 143 HB2 LYS 20 2HB LYS 20 4.928 6.227 -2.167 144 HB3 LYS 20 1HB LYS 20 6.622 6.387 -2.597 145 HG2 LYS 20 2HG LYS 20 6.199 8.614 -3.480 146 HG3 LYS 20 1HG LYS 20 4.486 8.448 -3.079 147 HD2 LYS 20 2HD LYS 20 5.152 8.074 -0.728 148 HD3 LYS 20 1HD LYS 20 6.810 8.467 -1.171 149 HE2 LYS 20 2HE LYS 20 6.123 10.676 -1.917 150 HE3 LYS 20 1HE LYS 20 4.443 10.307 -1.539 151 HZ1 LYS 20 1HZ LYS 20 5.389 11.594 0.221 152 HZ2 LYS 20 2HZ LYS 20 6.691 10.550 0.379 153 HZ3 LYS 20 3HZ LYS 20 5.157 10.029 0.814 154 H CYS 21 H CYS 21 3.617 4.291 -3.723 155 HA CYS 21 HA CYS 21 5.478 2.099 -4.227 156 HB2 CYS 21 2HB CYS 21 3.817 2.366 -1.733 157 HB3 CYS 21 1HB CYS 21 4.807 0.991 -2.175 158 H THR 22 H THR 22 4.103 -0.032 -3.790 159 HA THR 22 HA THR 22 1.488 0.286 -5.046 160 HB THR 22 HB THR 22 3.462 -2.003 -5.378 161 HG1 THR 22 1HG THR 22 4.070 -1.101 -7.290 162 HG21 THR 22 1HG2 THR 22 2.058 -2.594 -7.313 163 HG22 THR 22 2HG2 THR 22 0.989 -1.242 -6.952 164 HG23 THR 22 3HG2 THR 22 1.117 -2.588 -5.821 165 H CYS 23 H CYS 23 -0.106 -1.212 -4.028 166 HA CYS 23 HA CYS 23 1.085 -2.601 -1.764 167 HB2 CYS 23 2HB CYS 23 -0.989 -2.378 -0.516 168 HB3 CYS 23 1HB CYS 23 -0.269 -0.815 -0.876 169 H VAL 24 H VAL 24 0.750 -4.608 -1.408 170 HA VAL 24 HA VAL 24 -0.851 -6.012 -3.360 171 HB VAL 24 HB VAL 24 1.449 -6.791 -3.284 172 HG11 VAL 24 1HG1 VAL 24 2.475 -7.785 -1.295 173 HG12 VAL 24 2HG1 VAL 24 1.069 -7.305 -0.343 174 HG13 VAL 24 3HG1 VAL 24 2.103 -6.074 -1.068 175 HG21 VAL 24 1HG2 VAL 24 -0.374 -8.780 -1.942 176 HG22 VAL 24 2HG2 VAL 24 1.136 -9.171 -2.764 177 HG23 VAL 24 3HG2 VAL 24 -0.218 -8.502 -3.678 178 HA PRO 25 HA PRO 25 -3.668 -6.592 0.066 179 HB2 PRO 25 2HB PRO 25 -5.857 -6.994 -1.385 180 HB3 PRO 25 1HB PRO 25 -5.108 -5.401 -1.300 181 HG2 PRO 25 2HG PRO 25 -5.009 -7.408 -3.495 182 HG3 PRO 25 1HG PRO 25 -5.073 -5.641 -3.588 183 HD2 PRO 25 2HD PRO 25 -2.771 -7.236 -3.821 184 HD3 PRO 25 1HD PRO 25 -2.821 -5.479 -3.564 185 H LEU 26 H LEU 26 -4.524 -8.362 1.088 186 HA LEU 26 HA LEU 26 -4.634 -10.818 -0.403 187 HB2 LEU 26 2HB LEU 26 -3.435 -12.084 1.369 188 HB3 LEU 26 1HB LEU 26 -2.429 -10.990 0.457 189 HG LEU 26 HG LEU 26 -3.472 -10.287 3.211 190 HD11 LEU 26 1HD1 LEU 26 -2.200 -12.380 3.340 191 HD12 LEU 26 2HD1 LEU 26 -1.318 -11.043 4.079 192 HD13 LEU 26 3HD1 LEU 26 -0.870 -11.612 2.471 193 HD21 LEU 26 1HD2 LEU 26 -1.079 -9.314 1.637 194 HD22 LEU 26 2HD2 LEU 26 -1.562 -8.760 3.241 195 HD23 LEU 26 3HD2 LEU 26 -2.591 -8.436 1.846 196 HA PRO 27 HA PRO 27 -6.291 -10.723 -1.227 197 HB2 PRO 27 2HB PRO 27 -9.115 -10.959 -1.395 198 HB3 PRO 27 1HB PRO 27 -7.927 -12.213 -1.739 199 HG2 PRO 27 2HG PRO 27 -9.753 -12.293 0.347 200 HG3 PRO 27 1HG PRO 27 -8.262 -13.239 0.272 201 HD2 PRO 27 2HD PRO 27 -8.826 -10.689 1.715 202 HD3 PRO 27 1HD PRO 27 -7.856 -12.084 2.240 203 H ILE 28 H ILE 28 -8.093 -8.940 1.118 204 HA ILE 28 HA ILE 28 -8.804 -6.881 -0.875 205 HB ILE 28 HB ILE 28 -10.009 -7.370 1.867 206 HG12 ILE 28 2HG1 ILE 28 -11.177 -7.814 -0.895 207 HG13 ILE 28 1HG1 ILE 28 -10.576 -9.083 0.164 208 HG21 ILE 28 1HG2 ILE 28 -11.688 -5.686 1.223 209 HG22 ILE 28 2HG2 ILE 28 -10.796 -5.378 -0.267 210 HG23 ILE 28 3HG2 ILE 28 -10.064 -4.997 1.290 211 HD11 ILE 28 1HD1 ILE 28 -12.901 -7.262 0.734 212 HD12 ILE 28 2HD1 ILE 28 -12.315 -8.553 1.785 213 HD13 ILE 28 3HD1 ILE 28 -13.003 -8.943 0.208 214 H PHE 29 H PHE 29 -7.558 -7.279 2.403 215 HA PHE 29 HA PHE 29 -6.533 -4.538 2.402 216 HB2 PHE 29 2HB PHE 29 -6.754 -6.598 4.631 217 HB3 PHE 29 1HB PHE 29 -6.099 -4.982 4.826 218 HD1 PHE 29 1HD PHE 29 -7.551 -3.087 5.055 219 HD2 PHE 29 2HD PHE 29 -9.189 -6.929 4.237 220 HE1 PHE 29 1HE PHE 29 -9.789 -2.248 5.601 221 HE2 PHE 29 2HE PHE 29 -11.430 -6.087 4.772 222 HZ PHE 29 HZ PHE 29 -11.737 -3.748 5.459 223 H GLY 30 H GLY 30 -4.240 -4.184 2.724 224 HA2 GLY 30 2HA GLY 30 -2.526 -6.479 2.891 225 HA3 GLY 30 1HA GLY 30 -2.539 -5.712 1.319 226 H LEU 31 H LEU 31 -0.306 -5.540 1.867 227 HA LEU 31 HA LEU 31 0.233 -3.212 3.538 228 HB2 LEU 31 2HB LEU 31 2.515 -4.154 3.864 229 HB3 LEU 31 1HB LEU 31 1.244 -5.135 4.547 230 HG LEU 31 HG LEU 31 1.476 -6.558 2.395 231 HD11 LEU 31 1HD1 LEU 31 4.135 -5.157 2.320 232 HD12 LEU 31 2HD1 LEU 31 2.863 -5.059 1.104 233 HD13 LEU 31 3HD1 LEU 31 3.694 -6.588 1.389 234 HD21 LEU 31 1HD2 LEU 31 3.648 -6.539 4.481 235 HD22 LEU 31 2HD2 LEU 31 3.270 -7.883 3.408 236 HD23 LEU 31 3HD2 LEU 31 2.087 -7.349 4.602 237 H CYS 32 H CYS 32 1.968 -1.823 2.788 238 HA CYS 32 HA CYS 32 1.881 -1.684 -0.123 239 HB2 CYS 32 2HB CYS 32 1.087 0.212 1.447 240 HB3 CYS 32 1HB CYS 32 2.798 0.482 1.751 241 H VAL 33 H VAL 33 3.787 -1.613 -1.313 242 HA VAL 33 HA VAL 33 6.294 -1.769 0.137 243 HB VAL 33 HB VAL 33 5.555 -4.100 -0.204 244 HG11 VAL 33 1HG1 VAL 33 5.485 -3.478 -3.145 245 HG12 VAL 33 2HG1 VAL 33 4.108 -3.855 -2.109 246 HG13 VAL 33 3HG1 VAL 33 5.331 -5.087 -2.434 247 HG21 VAL 33 1HG2 VAL 33 7.866 -3.360 -2.002 248 HG22 VAL 33 2HG2 VAL 33 7.517 -4.985 -1.417 249 HG23 VAL 33 3HG2 VAL 33 7.948 -3.713 -0.275 250 HA PRO 34 HA PRO 34 7.409 0.911 -3.304 251 HB2 PRO 34 2HB PRO 34 10.139 0.795 -2.927 252 HB3 PRO 34 1HB PRO 34 9.077 1.882 -2.026 253 HG2 PRO 34 2HG PRO 34 10.258 -0.729 -1.205 254 HG3 PRO 34 1HG PRO 34 9.983 0.731 -0.242 255 HD2 PRO 34 2HD PRO 34 8.386 -1.460 -0.118 256 HD3 PRO 34 1HD PRO 34 7.786 0.187 0.175 257 H ASP 35 H ASP 35 8.018 0.462 -5.408 258 HA ASP 35 HA ASP 35 8.325 -2.344 -6.012 259 HB2 ASP 35 2HB ASP 35 6.831 -0.760 -7.307 260 HB3 ASP 35 1HB ASP 35 8.306 0.002 -7.900 261 H VAL 36 H VAL 36 10.108 0.613 -6.087 262 HA VAL 36 HA VAL 36 12.476 -0.857 -6.902 263 HB VAL 36 HB VAL 36 11.966 2.128 -7.131 264 HG11 VAL 36 1HG1 VAL 36 14.283 1.577 -6.862 265 HG12 VAL 36 2HG1 VAL 36 13.970 2.145 -8.508 266 HG13 VAL 36 3HG1 VAL 36 14.187 0.415 -8.189 267 HG21 VAL 36 1HG2 VAL 36 11.801 1.759 -9.559 268 HG22 VAL 36 2HG2 VAL 36 10.523 0.919 -8.682 269 HG23 VAL 36 3HG2 VAL 36 11.909 0.018 -9.294 Start of MODEL 11 1 H1 LEU 1 1HT LEU 1 14.895 4.560 2.564 2 H2 LEU 1 2HT LEU 1 14.960 4.797 0.911 3 H3 LEU 1 3HT LEU 1 15.787 3.499 1.569 4 HA LEU 1 HA LEU 1 13.797 2.796 0.497 5 HB2 LEU 1 2HB LEU 1 13.334 2.833 3.504 6 HB3 LEU 1 1HB LEU 1 12.471 1.824 2.373 7 HG LEU 1 HG LEU 1 14.772 0.772 1.856 8 HD11 LEU 1 1HD1 LEU 1 15.443 2.073 4.483 9 HD12 LEU 1 2HD1 LEU 1 16.199 2.397 2.921 10 HD13 LEU 1 3HD1 LEU 1 16.387 0.819 3.679 11 HD21 LEU 1 1HD2 LEU 1 14.558 -0.772 3.744 12 HD22 LEU 1 2HD2 LEU 1 12.998 -0.397 3.016 13 HD23 LEU 1 3HD2 LEU 1 13.464 0.363 4.538 14 HA PRO 2 HA PRO 2 10.768 6.061 0.133 15 HB2 PRO 2 2HB PRO 2 8.906 3.902 -0.626 16 HB3 PRO 2 1HB PRO 2 9.401 5.329 -1.543 17 HG2 PRO 2 2HG PRO 2 10.251 2.890 -2.222 18 HG3 PRO 2 1HG PRO 2 11.293 4.318 -2.363 19 HD2 PRO 2 2HD PRO 2 11.309 2.174 -0.281 20 HD3 PRO 2 1HD PRO 2 12.658 3.021 -1.068 21 H ARG 3 H ARG 3 9.546 6.931 1.509 22 HA ARG 3 HA ARG 3 8.588 5.420 3.744 23 HB2 ARG 3 2HB ARG 3 8.405 8.362 3.097 24 HB3 ARG 3 1HB ARG 3 7.755 7.622 4.548 25 HG2 ARG 3 2HG ARG 3 10.661 7.641 3.754 26 HG3 ARG 3 1HG ARG 3 9.922 8.708 4.946 27 HD2 ARG 3 2HD ARG 3 10.068 5.690 5.125 28 HD3 ARG 3 1HD ARG 3 11.097 6.816 5.997 29 HE ARG 3 HE ARG 3 8.656 7.601 6.768 30 HH11 ARG 3 1HH1 ARG 3 10.070 4.344 6.655 31 HH12 ARG 3 2HH1 ARG 3 9.236 3.782 8.018 32 HH21 ARG 3 1HH2 ARG 3 7.523 6.814 8.665 33 HH22 ARG 3 2HH2 ARG 3 7.771 5.224 9.211 34 H CYS 4 H CYS 4 7.064 4.146 3.056 35 HA CYS 4 HA CYS 4 4.870 4.970 1.438 36 HB2 CYS 4 2HB CYS 4 4.987 2.588 3.304 37 HB3 CYS 4 1HB CYS 4 4.016 2.761 1.848 38 H ASP 5 H ASP 5 5.503 4.328 4.837 39 HA ASP 5 HA ASP 5 4.571 4.899 6.831 40 HB2 ASP 5 2HB ASP 5 5.005 7.207 5.840 41 HB3 ASP 5 1HB ASP 5 3.322 7.243 5.345 42 H SER 6 H SER 6 3.045 3.292 4.830 43 HA SER 6 HA SER 6 0.278 3.819 5.187 44 HB2 SER 6 2HB SER 6 1.559 1.341 4.108 45 HB3 SER 6 1HB SER 6 0.041 2.102 3.627 46 HG SER 6 HG SER 6 1.216 3.782 2.670 47 HA PRO 7 HA PRO 7 0.319 1.257 9.011 48 HB2 PRO 7 2HB PRO 7 -2.568 1.890 8.910 49 HB3 PRO 7 1HB PRO 7 -1.421 2.174 10.221 50 HG2 PRO 7 2HG PRO 7 -2.426 4.188 8.734 51 HG3 PRO 7 1HG PRO 7 -0.790 4.228 9.403 52 HD2 PRO 7 2HD PRO 7 -1.641 3.691 6.571 53 HD3 PRO 7 1HD PRO 7 -0.213 4.519 7.208 54 H PHE 8 H PHE 8 -2.314 1.395 6.637 55 HA PHE 8 HA PHE 8 -2.035 -1.408 6.003 56 HB2 PHE 8 2HB PHE 8 -4.710 -0.146 6.724 57 HB3 PHE 8 1HB PHE 8 -4.471 -1.772 6.109 58 HD1 PHE 8 1HD PHE 8 -4.851 0.239 8.973 59 HD2 PHE 8 2HD PHE 8 -3.042 -3.351 7.596 60 HE1 PHE 8 1HE PHE 8 -4.715 -0.568 11.285 61 HE2 PHE 8 2HE PHE 8 -2.899 -4.165 9.916 62 HZ PHE 8 HZ PHE 8 -3.742 -2.771 11.757 63 H CYS 9 H CYS 9 -3.308 -1.762 3.941 64 HA CYS 9 HA CYS 9 -4.223 0.560 2.560 65 HB2 CYS 9 2HB CYS 9 -1.733 0.550 2.157 66 HB3 CYS 9 1HB CYS 9 -1.924 -1.067 1.472 67 H SER 10 H SER 10 -5.286 -0.138 0.621 68 HA SER 10 HA SER 10 -5.922 -2.988 0.420 69 HB2 SER 10 2HB SER 10 -8.036 -0.866 0.917 70 HB3 SER 10 1HB SER 10 -8.336 -2.573 0.610 71 HG SER 10 HG SER 10 -6.697 -1.753 2.728 72 H LEU 11 H LEU 11 -7.582 -3.221 -1.515 73 HA LEU 11 HA LEU 11 -6.515 -1.785 -3.694 74 HB2 LEU 11 2HB LEU 11 -8.075 -2.943 -5.130 75 HB3 LEU 11 1HB LEU 11 -7.399 -4.069 -3.980 76 HG LEU 11 HG LEU 11 -10.089 -2.835 -3.518 77 HD11 LEU 11 1HD1 LEU 11 -10.142 -3.848 -5.759 78 HD12 LEU 11 2HD1 LEU 11 -11.077 -4.820 -4.623 79 HD13 LEU 11 3HD1 LEU 11 -9.462 -5.338 -5.105 80 HD21 LEU 11 1HD2 LEU 11 -9.195 -4.034 -1.633 81 HD22 LEU 11 2HD2 LEU 11 -8.793 -5.411 -2.657 82 HD23 LEU 11 3HD2 LEU 11 -10.479 -4.998 -2.360 83 H PHE 12 H PHE 12 -9.128 -1.250 -1.591 84 HA PHE 12 HA PHE 12 -10.335 0.796 -3.252 85 HB2 PHE 12 2HB PHE 12 -10.855 0.076 -0.353 86 HB3 PHE 12 1HB PHE 12 -11.797 1.226 -1.287 87 HD1 PHE 12 1HD PHE 12 -11.485 -2.161 -0.280 88 HD2 PHE 12 2HD PHE 12 -12.937 0.323 -3.413 89 HE1 PHE 12 1HE PHE 12 -12.955 -3.975 -1.039 90 HE2 PHE 12 2HE PHE 12 -14.407 -1.491 -4.173 91 HZ PHE 12 HZ PHE 12 -14.421 -3.644 -2.988 92 H ARG 13 H ARG 13 -8.716 0.692 -0.099 93 HA ARG 13 HA ARG 13 -8.101 3.498 -0.384 94 HB2 ARG 13 2HB ARG 13 -7.806 1.642 1.984 95 HB3 ARG 13 1HB ARG 13 -7.073 3.235 1.957 96 HG2 ARG 13 2HG ARG 13 -9.128 3.350 3.180 97 HG3 ARG 13 1HG ARG 13 -9.333 4.223 1.667 98 HD2 ARG 13 2HD ARG 13 -10.431 2.197 0.729 99 HD3 ARG 13 1HD ARG 13 -10.310 1.454 2.324 100 HE ARG 13 HE ARG 13 -11.585 3.982 2.425 101 HH11 ARG 13 1HH1 ARG 13 -12.174 0.575 1.696 102 HH12 ARG 13 2HH1 ARG 13 -13.855 0.661 1.947 103 HH21 ARG 13 1HH2 ARG 13 -13.849 4.117 2.765 104 HH22 ARG 13 2HH2 ARG 13 -14.843 2.748 2.593 105 H ILE 14 H ILE 14 -6.778 3.250 -2.105 106 HA ILE 14 HA ILE 14 -4.235 1.863 -1.756 107 HB ILE 14 HB ILE 14 -3.801 2.593 -4.121 108 HG12 ILE 14 2HG1 ILE 14 -6.685 3.524 -4.013 109 HG13 ILE 14 1HG1 ILE 14 -5.279 4.574 -4.139 110 HG21 ILE 14 1HG2 ILE 14 -5.382 1.009 -5.142 111 HG22 ILE 14 2HG2 ILE 14 -6.280 0.972 -3.622 112 HG23 ILE 14 3HG2 ILE 14 -4.621 0.383 -3.679 113 HD11 ILE 14 1HD1 ILE 14 -6.186 2.556 -6.186 114 HD12 ILE 14 2HD1 ILE 14 -4.771 3.600 -6.330 115 HD13 ILE 14 3HD1 ILE 14 -6.387 4.308 -6.284 116 H GLY 15 H GLY 15 -5.545 4.894 -1.275 117 HA2 GLY 15 2HA GLY 15 -3.446 6.604 -2.088 118 HA3 GLY 15 1HA GLY 15 -4.736 7.006 -0.970 119 H LEU 16 H LEU 16 -3.457 4.405 0.398 120 HA LEU 16 HA LEU 16 -1.888 5.928 2.243 121 HB2 LEU 16 2HB LEU 16 -2.496 2.987 2.068 122 HB3 LEU 16 1HB LEU 16 -1.437 3.659 3.287 123 HG LEU 16 HG LEU 16 -3.535 3.278 4.296 124 HD11 LEU 16 1HD1 LEU 16 -2.469 5.306 4.995 125 HD12 LEU 16 2HD1 LEU 16 -4.222 5.461 5.051 126 HD13 LEU 16 3HD1 LEU 16 -3.318 6.215 3.740 127 HD21 LEU 16 1HD2 LEU 16 -5.642 4.228 3.505 128 HD22 LEU 16 2HD2 LEU 16 -4.935 3.130 2.315 129 HD23 LEU 16 3HD2 LEU 16 -4.818 4.875 2.085 130 H CYS 17 H CYS 17 -1.299 4.031 -0.554 131 HA CYS 17 HA CYS 17 1.578 4.338 -0.090 132 HB2 CYS 17 2HB CYS 17 0.236 2.366 -1.959 133 HB3 CYS 17 1HB CYS 17 1.935 2.459 -1.574 134 H GLY 18 H GLY 18 1.638 6.414 -0.905 135 HA2 GLY 18 2HA GLY 18 0.295 6.949 -3.417 136 HA3 GLY 18 1HA GLY 18 1.010 8.122 -2.326 137 H ASP 19 H ASP 19 1.572 5.905 -4.906 138 HA ASP 19 HA ASP 19 2.797 6.075 -6.766 139 HB2 ASP 19 2HB ASP 19 2.427 8.383 -6.632 140 HB3 ASP 19 1HB ASP 19 3.774 8.636 -5.537 141 H LYS 20 H LYS 20 4.348 6.387 -3.833 142 HA LYS 20 HA LYS 20 6.964 5.595 -4.905 143 HB2 LYS 20 2HB LYS 20 6.368 5.910 -1.974 144 HB3 LYS 20 1HB LYS 20 7.893 6.133 -2.819 145 HG2 LYS 20 2HG LYS 20 5.487 7.928 -2.941 146 HG3 LYS 20 1HG LYS 20 7.004 8.276 -2.133 147 HD2 LYS 20 2HD LYS 20 8.154 8.357 -4.278 148 HD3 LYS 20 1HD LYS 20 6.687 7.829 -5.109 149 HE2 LYS 20 2HE LYS 20 5.563 9.891 -4.191 150 HE3 LYS 20 1HE LYS 20 7.162 10.417 -3.667 151 HZ1 LYS 20 1HZ LYS 20 7.894 10.393 -5.966 152 HZ2 LYS 20 2HZ LYS 20 6.519 11.355 -5.800 153 HZ3 LYS 20 3HZ LYS 20 6.380 9.804 -6.447 154 H CYS 21 H CYS 21 4.258 4.164 -3.297 155 HA CYS 21 HA CYS 21 5.660 1.616 -3.221 156 HB2 CYS 21 2HB CYS 21 3.916 2.585 -0.942 157 HB3 CYS 21 1HB CYS 21 4.869 1.126 -1.032 158 H THR 22 H THR 22 4.040 -0.157 -3.000 159 HA THR 22 HA THR 22 1.373 0.589 -3.915 160 HB THR 22 HB THR 22 3.096 -1.622 -5.085 161 HG1 THR 22 1HG THR 22 2.434 0.978 -5.922 162 HG21 THR 22 1HG2 THR 22 1.288 -1.859 -6.738 163 HG22 THR 22 2HG2 THR 22 0.377 -0.589 -5.925 164 HG23 THR 22 3HG2 THR 22 0.670 -2.123 -5.106 165 H CYS 23 H CYS 23 -0.199 -0.761 -2.999 166 HA CYS 23 HA CYS 23 0.869 -2.710 -1.139 167 HB2 CYS 23 2HB CYS 23 -1.322 -2.567 0.001 168 HB3 CYS 23 1HB CYS 23 -0.426 -1.052 -0.020 169 H VAL 24 H VAL 24 0.373 -4.731 -1.176 170 HA VAL 24 HA VAL 24 -1.076 -5.731 -3.510 171 HB VAL 24 HB VAL 24 0.698 -7.203 -1.530 172 HG11 VAL 24 1HG1 VAL 24 0.683 -9.021 -3.173 173 HG12 VAL 24 2HG1 VAL 24 -0.461 -8.109 -4.160 174 HG13 VAL 24 3HG1 VAL 24 -0.932 -8.676 -2.558 175 HG21 VAL 24 1HG2 VAL 24 2.374 -7.249 -3.319 176 HG22 VAL 24 2HG2 VAL 24 1.986 -5.594 -2.845 177 HG23 VAL 24 3HG2 VAL 24 1.318 -6.266 -4.332 178 HA PRO 25 HA PRO 25 -4.234 -6.322 -0.280 179 HB2 PRO 25 2HB PRO 25 -6.136 -6.723 -2.414 180 HB3 PRO 25 1HB PRO 25 -5.992 -5.359 -1.306 181 HG2 PRO 25 2HG PRO 25 -5.474 -5.194 -3.990 182 HG3 PRO 25 1HG PRO 25 -4.738 -4.133 -2.775 183 HD2 PRO 25 2HD PRO 25 -3.611 -6.549 -4.125 184 HD3 PRO 25 1HD PRO 25 -2.841 -4.992 -3.727 185 H LEU 26 H LEU 26 -4.839 -8.204 0.680 186 HA LEU 26 HA LEU 26 -5.543 -10.411 -0.980 187 HB2 LEU 26 2HB LEU 26 -4.150 -12.065 0.187 188 HB3 LEU 26 1HB LEU 26 -3.210 -10.904 -0.707 189 HG LEU 26 HG LEU 26 -3.569 -10.773 2.291 190 HD11 LEU 26 1HD1 LEU 26 -1.382 -11.837 2.441 191 HD12 LEU 26 2HD1 LEU 26 -1.337 -12.013 0.688 192 HD13 LEU 26 3HD1 LEU 26 -2.530 -12.902 1.631 193 HD21 LEU 26 1HD2 LEU 26 -2.818 -8.697 1.208 194 HD22 LEU 26 2HD2 LEU 26 -1.492 -9.580 0.450 195 HD23 LEU 26 3HD2 LEU 26 -1.546 -9.406 2.203 196 HA PRO 27 HA PRO 27 -7.317 -10.482 -1.446 197 HB2 PRO 27 2HB PRO 27 -10.122 -10.312 -0.798 198 HB3 PRO 27 1HB PRO 27 -9.271 -11.634 -1.595 199 HG2 PRO 27 2HG PRO 27 -10.376 -11.874 0.878 200 HG3 PRO 27 1HG PRO 27 -8.939 -12.777 0.372 201 HD2 PRO 27 2HD PRO 27 -9.104 -10.259 1.997 202 HD3 PRO 27 1HD PRO 27 -8.134 -11.725 2.280 203 H ILE 28 H ILE 28 -8.607 -8.572 1.173 204 HA ILE 28 HA ILE 28 -9.249 -6.386 -0.676 205 HB ILE 28 HB ILE 28 -10.049 -6.728 2.226 206 HG12 ILE 28 2HG1 ILE 28 -11.248 -8.240 0.735 207 HG13 ILE 28 1HG1 ILE 28 -12.337 -6.998 1.341 208 HG21 ILE 28 1HG2 ILE 28 -9.764 -4.367 1.735 209 HG22 ILE 28 2HG2 ILE 28 -11.470 -4.754 1.939 210 HG23 ILE 28 3HG2 ILE 28 -10.810 -4.516 0.321 211 HD11 ILE 28 1HD1 ILE 28 -12.763 -7.428 -1.002 212 HD12 ILE 28 2HD1 ILE 28 -11.080 -7.121 -1.398 213 HD13 ILE 28 3HD1 ILE 28 -12.099 -5.806 -0.812 214 H PHE 29 H PHE 29 -7.714 -6.787 2.516 215 HA PHE 29 HA PHE 29 -6.195 -4.373 1.932 216 HB2 PHE 29 2HB PHE 29 -5.643 -4.352 4.356 217 HB3 PHE 29 1HB PHE 29 -7.375 -4.289 4.070 218 HD1 PHE 29 1HD PHE 29 -8.800 -6.147 4.698 219 HD2 PHE 29 2HD PHE 29 -4.602 -6.292 5.359 220 HE1 PHE 29 1HE PHE 29 -9.101 -8.054 6.207 221 HE2 PHE 29 2HE PHE 29 -4.901 -8.208 6.865 222 HZ PHE 29 HZ PHE 29 -7.146 -9.089 7.292 223 H GLY 30 H GLY 30 -3.911 -4.403 2.465 224 HA2 GLY 30 2HA GLY 30 -2.654 -7.017 2.643 225 HA3 GLY 30 1HA GLY 30 -2.441 -6.165 1.126 226 H LEU 31 H LEU 31 -0.220 -6.343 1.719 227 HA LEU 31 HA LEU 31 0.559 -4.349 3.673 228 HB2 LEU 31 2HB LEU 31 2.882 -5.368 3.424 229 HB3 LEU 31 1HB LEU 31 1.675 -6.309 4.259 230 HG LEU 31 HG LEU 31 1.408 -7.705 2.196 231 HD11 LEU 31 1HD1 LEU 31 3.814 -6.191 1.192 232 HD12 LEU 31 2HD1 LEU 31 2.187 -6.141 0.511 233 HD13 LEU 31 3HD1 LEU 31 3.113 -7.640 0.464 234 HD21 LEU 31 1HD2 LEU 31 3.512 -8.913 2.492 235 HD22 LEU 31 2HD2 LEU 31 2.788 -8.422 4.023 236 HD23 LEU 31 3HD2 LEU 31 4.164 -7.532 3.374 237 H CYS 32 H CYS 32 2.253 -2.865 3.149 238 HA CYS 32 HA CYS 32 2.032 -2.093 0.348 239 HB2 CYS 32 2HB CYS 32 1.291 -0.500 2.163 240 HB3 CYS 32 1HB CYS 32 2.975 -0.403 2.666 241 H VAL 33 H VAL 33 3.729 -2.221 -0.921 242 HA VAL 33 HA VAL 33 6.340 -2.682 0.305 243 HB VAL 33 HB VAL 33 5.468 -4.769 -0.701 244 HG11 VAL 33 1HG1 VAL 33 3.949 -3.891 -2.346 245 HG12 VAL 33 2HG1 VAL 33 5.089 -5.000 -3.110 246 HG13 VAL 33 3HG1 VAL 33 5.294 -3.260 -3.294 247 HG21 VAL 33 1HG2 VAL 33 7.721 -3.587 -2.325 248 HG22 VAL 33 2HG2 VAL 33 7.311 -5.301 -2.261 249 HG23 VAL 33 3HG2 VAL 33 7.872 -4.474 -0.808 250 HA PRO 34 HA PRO 34 7.492 1.001 -1.912 251 HB2 PRO 34 2HB PRO 34 10.159 0.374 -2.261 252 HB3 PRO 34 1HB PRO 34 9.489 1.145 -0.819 253 HG2 PRO 34 2HG PRO 34 10.154 -1.724 -1.303 254 HG3 PRO 34 1HG PRO 34 10.393 -0.756 0.166 255 HD2 PRO 34 2HD PRO 34 8.384 -2.491 -0.038 256 HD3 PRO 34 1HD PRO 34 8.155 -0.930 0.784 257 H ASP 35 H ASP 35 7.265 1.417 -3.982 258 HA ASP 35 HA ASP 35 7.359 -0.809 -5.856 259 HB2 ASP 35 2HB ASP 35 5.325 0.563 -5.835 260 HB3 ASP 35 1HB ASP 35 6.276 2.002 -6.170 261 H VAL 36 H VAL 36 8.718 2.337 -5.296 262 HA VAL 36 HA VAL 36 10.378 2.082 -7.610 263 HB VAL 36 HB VAL 36 9.569 4.307 -7.210 264 HG11 VAL 36 1HG1 VAL 36 10.812 4.182 -4.477 265 HG12 VAL 36 2HG1 VAL 36 9.089 4.207 -4.850 266 HG13 VAL 36 3HG1 VAL 36 10.088 5.616 -5.202 267 HG21 VAL 36 1HG2 VAL 36 12.483 4.128 -6.506 268 HG22 VAL 36 2HG2 VAL 36 11.677 5.599 -7.040 269 HG23 VAL 36 3HG2 VAL 36 11.799 4.209 -8.127 Start of MODEL 12 1 H1 LEU 1 1HT LEU 1 12.753 7.371 9.411 2 H2 LEU 1 2HT LEU 1 13.181 6.266 8.199 3 H3 LEU 1 3HT LEU 1 12.211 5.773 9.468 4 HA LEU 1 HA LEU 1 10.425 7.068 8.753 5 HB2 LEU 1 2HB LEU 1 12.342 7.975 6.585 6 HB3 LEU 1 1HB LEU 1 10.614 8.069 6.389 7 HG LEU 1 HG LEU 1 10.518 9.636 8.329 8 HD11 LEU 1 1HD1 LEU 1 13.512 9.528 8.171 9 HD12 LEU 1 2HD1 LEU 1 12.493 9.060 9.544 10 HD13 LEU 1 3HD1 LEU 1 12.580 10.743 9.040 11 HD21 LEU 1 1HD2 LEU 1 10.530 10.485 6.069 12 HD22 LEU 1 2HD2 LEU 1 12.290 10.445 6.040 13 HD23 LEU 1 3HD2 LEU 1 11.452 11.555 7.127 14 HA PRO 2 HA PRO 2 9.655 3.360 6.345 15 HB2 PRO 2 2HB PRO 2 7.081 4.400 5.550 16 HB3 PRO 2 1HB PRO 2 7.422 3.143 6.738 17 HG2 PRO 2 2HG PRO 2 6.375 5.574 7.382 18 HG3 PRO 2 1HG PRO 2 7.358 4.599 8.488 19 HD2 PRO 2 2HD PRO 2 8.138 6.956 6.828 20 HD3 PRO 2 1HD PRO 2 8.597 6.532 8.495 21 H ARG 3 H ARG 3 9.580 2.684 4.289 22 HA ARG 3 HA ARG 3 10.550 4.612 2.422 23 HB2 ARG 3 2HB ARG 3 10.172 1.650 2.262 24 HB3 ARG 3 1HB ARG 3 10.716 2.620 0.903 25 HG2 ARG 3 2HG ARG 3 12.122 2.523 3.555 26 HG3 ARG 3 1HG ARG 3 12.553 1.494 2.191 27 HD2 ARG 3 2HD ARG 3 12.616 4.512 2.257 28 HD3 ARG 3 1HD ARG 3 14.010 3.434 2.272 29 HE ARG 3 HE ARG 3 12.677 2.721 0.036 30 HH11 ARG 3 1HH1 ARG 3 14.042 5.786 1.204 31 HH12 ARG 3 2HH1 ARG 3 14.228 6.444 -0.353 32 HH21 ARG 3 1HH2 ARG 3 12.936 3.648 -2.096 33 HH22 ARG 3 2HH2 ARG 3 13.570 5.211 -2.269 34 H CYS 4 H CYS 4 7.726 3.221 2.982 35 HA CYS 4 HA CYS 4 6.608 4.293 0.460 36 HB2 CYS 4 2HB CYS 4 5.518 2.027 2.126 37 HB3 CYS 4 1HB CYS 4 4.723 2.696 0.716 38 H ASP 5 H ASP 5 6.688 4.652 3.743 39 HA ASP 5 HA ASP 5 5.714 6.024 5.250 40 HB2 ASP 5 2HB ASP 5 4.854 7.423 2.725 41 HB3 ASP 5 1HB ASP 5 4.491 8.065 4.323 42 H SER 6 H SER 6 4.211 3.692 4.158 43 HA SER 6 HA SER 6 1.553 4.595 4.952 44 HB2 SER 6 2HB SER 6 1.655 4.013 2.573 45 HB3 SER 6 1HB SER 6 2.295 2.425 2.985 46 HG SER 6 HG SER 6 0.119 2.282 2.615 47 HA PRO 7 HA PRO 7 2.359 1.593 8.188 48 HB2 PRO 7 2HB PRO 7 -0.074 1.865 9.434 49 HB3 PRO 7 1HB PRO 7 1.277 2.970 9.691 50 HG2 PRO 7 2HG PRO 7 -1.128 3.297 7.949 51 HG3 PRO 7 1HG PRO 7 -0.303 4.499 8.961 52 HD2 PRO 7 2HD PRO 7 0.008 4.341 6.274 53 HD3 PRO 7 1HD PRO 7 1.291 4.921 7.357 54 H PHE 8 H PHE 8 -0.650 1.759 6.309 55 HA PHE 8 HA PHE 8 -0.556 -0.897 5.444 56 HB2 PHE 8 2HB PHE 8 -2.537 -1.819 6.561 57 HB3 PHE 8 1HB PHE 8 -1.345 -1.393 7.776 58 HD1 PHE 8 1HD PHE 8 -1.737 0.558 9.252 59 HD2 PHE 8 2HD PHE 8 -4.682 -0.745 6.463 60 HE1 PHE 8 1HE PHE 8 -3.446 1.873 10.439 61 HE2 PHE 8 2HE PHE 8 -6.386 0.563 7.644 62 HZ PHE 8 HZ PHE 8 -5.772 1.876 9.635 63 H CYS 9 H CYS 9 -2.500 -1.343 4.093 64 HA CYS 9 HA CYS 9 -4.239 0.878 3.623 65 HB2 CYS 9 2HB CYS 9 -3.741 0.777 1.121 66 HB3 CYS 9 1HB CYS 9 -2.505 1.524 2.122 67 H SER 10 H SER 10 -5.599 -0.053 1.420 68 HA SER 10 HA SER 10 -6.024 -2.889 1.572 69 HB2 SER 10 2HB SER 10 -8.175 -0.935 2.460 70 HB3 SER 10 1HB SER 10 -8.478 -2.636 2.101 71 HG SER 10 HG SER 10 -6.482 -1.978 3.937 72 H LEU 11 H LEU 11 -7.952 -3.378 -0.077 73 HA LEU 11 HA LEU 11 -7.189 -2.075 -2.444 74 HB2 LEU 11 2HB LEU 11 -8.811 -3.446 -3.630 75 HB3 LEU 11 1HB LEU 11 -7.933 -4.373 -2.442 76 HG LEU 11 HG LEU 11 -10.043 -4.081 -0.964 77 HD11 LEU 11 1HD1 LEU 11 -12.131 -3.876 -2.205 78 HD12 LEU 11 2HD1 LEU 11 -11.227 -3.540 -3.682 79 HD13 LEU 11 3HD1 LEU 11 -11.163 -2.407 -2.332 80 HD21 LEU 11 1HD2 LEU 11 -9.279 -6.188 -1.931 81 HD22 LEU 11 2HD2 LEU 11 -10.119 -5.800 -3.432 82 HD23 LEU 11 3HD2 LEU 11 -11.037 -6.062 -1.950 83 H PHE 12 H PHE 12 -9.697 -1.380 -0.241 84 HA PHE 12 HA PHE 12 -11.086 0.400 -2.041 85 HB2 PHE 12 2HB PHE 12 -11.368 0.162 0.960 86 HB3 PHE 12 1HB PHE 12 -12.416 1.089 -0.087 87 HD1 PHE 12 1HD PHE 12 -11.719 -2.148 1.328 88 HD2 PHE 12 2HD PHE 12 -13.855 -0.122 -1.753 89 HE1 PHE 12 1HE PHE 12 -13.195 -4.095 1.065 90 HE2 PHE 12 2HE PHE 12 -15.325 -2.071 -2.015 91 HZ PHE 12 HZ PHE 12 -14.998 -4.056 -0.607 92 H ARG 13 H ARG 13 -8.396 0.633 0.055 93 HA ARG 13 HA ARG 13 -8.267 3.496 -0.444 94 HB2 ARG 13 2HB ARG 13 -7.720 2.190 2.237 95 HB3 ARG 13 1HB ARG 13 -7.087 3.764 1.813 96 HG2 ARG 13 2HG ARG 13 -8.989 4.152 3.167 97 HG3 ARG 13 1HG ARG 13 -9.489 4.520 1.522 98 HD2 ARG 13 2HD ARG 13 -10.571 2.354 1.350 99 HD3 ARG 13 1HD ARG 13 -10.009 1.935 2.965 100 HE ARG 13 HE ARG 13 -11.493 4.328 3.053 101 HH11 ARG 13 1HH1 ARG 13 -11.984 0.841 2.737 102 HH12 ARG 13 2HH1 ARG 13 -13.589 0.861 3.288 103 HH21 ARG 13 1HH2 ARG 13 -13.666 4.368 3.822 104 HH22 ARG 13 2HH2 ARG 13 -14.593 2.946 3.936 105 H ILE 14 H ILE 14 -6.976 2.933 -2.156 106 HA ILE 14 HA ILE 14 -4.388 1.725 -1.478 107 HB ILE 14 HB ILE 14 -4.003 1.579 -3.938 108 HG12 ILE 14 2HG1 ILE 14 -6.910 2.399 -4.163 109 HG13 ILE 14 1HG1 ILE 14 -5.541 3.410 -4.607 110 HG21 ILE 14 1HG2 ILE 14 -6.472 0.189 -2.928 111 HG22 ILE 14 2HG2 ILE 14 -4.805 -0.346 -2.723 112 HG23 ILE 14 3HG2 ILE 14 -5.524 -0.297 -4.333 113 HD11 ILE 14 1HD1 ILE 14 -6.559 2.408 -6.558 114 HD12 ILE 14 2HD1 ILE 14 -6.312 0.796 -5.883 115 HD13 ILE 14 3HD1 ILE 14 -4.924 1.790 -6.332 116 H GLY 15 H GLY 15 -5.768 4.678 -1.715 117 HA2 GLY 15 2HA GLY 15 -3.871 6.200 -3.167 118 HA3 GLY 15 1HA GLY 15 -5.034 6.826 -2.009 119 H LEU 16 H LEU 16 -3.606 4.672 -0.221 120 HA LEU 16 HA LEU 16 -1.873 6.421 1.166 121 HB2 LEU 16 2HB LEU 16 -2.197 3.431 1.259 122 HB3 LEU 16 1HB LEU 16 -1.015 4.255 2.242 123 HG LEU 16 HG LEU 16 -2.913 3.717 3.583 124 HD11 LEU 16 1HD1 LEU 16 -1.839 5.786 4.119 125 HD12 LEU 16 2HD1 LEU 16 -3.566 5.884 4.444 126 HD13 LEU 16 3HD1 LEU 16 -2.897 6.660 3.011 127 HD21 LEU 16 1HD2 LEU 16 -4.627 3.499 1.877 128 HD22 LEU 16 2HD2 LEU 16 -4.595 5.238 1.597 129 HD23 LEU 16 3HD2 LEU 16 -5.165 4.607 3.142 130 H CYS 17 H CYS 17 -1.366 4.107 -1.422 131 HA CYS 17 HA CYS 17 1.453 4.886 -1.440 132 HB2 CYS 17 2HB CYS 17 0.434 2.130 -2.133 133 HB3 CYS 17 1HB CYS 17 2.091 2.678 -2.106 134 H GLY 18 H GLY 18 1.424 6.267 -3.095 135 HA2 GLY 18 2HA GLY 18 0.699 5.137 -5.686 136 HA3 GLY 18 1HA GLY 18 0.176 6.761 -5.230 137 H ASP 19 H ASP 19 2.037 5.790 -7.348 138 HA ASP 19 HA ASP 19 3.734 6.642 -8.482 139 HB2 ASP 19 2HB ASP 19 3.116 8.735 -7.735 140 HB3 ASP 19 1HB ASP 19 3.859 8.533 -6.160 141 H LYS 20 H LYS 20 4.200 5.616 -5.339 142 HA LYS 20 HA LYS 20 7.066 5.130 -5.897 143 HB2 LYS 20 2HB LYS 20 5.904 5.602 -3.170 144 HB3 LYS 20 1HB LYS 20 7.604 5.503 -3.618 145 HG2 LYS 20 2HG LYS 20 7.282 7.491 -5.065 146 HG3 LYS 20 1HG LYS 20 5.648 7.629 -4.436 147 HD2 LYS 20 2HD LYS 20 6.640 7.772 -2.170 148 HD3 LYS 20 1HD LYS 20 8.230 7.887 -2.927 149 HE2 LYS 20 2HE LYS 20 5.916 9.805 -3.247 150 HE3 LYS 20 1HE LYS 20 7.471 10.134 -2.493 151 HZ1 LYS 20 1HZ LYS 20 7.021 9.586 -5.398 152 HZ2 LYS 20 2HZ LYS 20 8.528 9.863 -4.668 153 HZ3 LYS 20 3HZ LYS 20 7.376 11.071 -4.693 154 H CYS 21 H CYS 21 4.238 3.774 -4.157 155 HA CYS 21 HA CYS 21 5.515 1.173 -4.347 156 HB2 CYS 21 2HB CYS 21 4.143 2.258 -1.884 157 HB3 CYS 21 1HB CYS 21 4.809 0.653 -2.080 158 H THR 22 H THR 22 3.811 -0.541 -3.901 159 HA THR 22 HA THR 22 1.233 0.416 -4.882 160 HB THR 22 HB THR 22 2.629 -2.163 -5.681 161 HG1 THR 22 1HG THR 22 2.804 -1.059 -7.745 162 HG21 THR 22 1HG2 THR 22 0.143 -0.818 -6.772 163 HG22 THR 22 2HG2 THR 22 0.171 -2.281 -5.791 164 HG23 THR 22 3HG2 THR 22 0.872 -2.292 -7.410 165 H CYS 23 H CYS 23 -0.546 -0.562 -3.883 166 HA CYS 23 HA CYS 23 0.005 -2.163 -1.541 167 HB2 CYS 23 2HB CYS 23 -2.482 -0.814 -2.574 168 HB3 CYS 23 1HB CYS 23 -2.483 -1.877 -1.175 169 H VAL 24 H VAL 24 -0.111 -4.262 -1.563 170 HA VAL 24 HA VAL 24 -1.674 -5.602 -3.649 171 HB VAL 24 HB VAL 24 0.418 -6.770 -1.771 172 HG11 VAL 24 1HG1 VAL 24 -0.970 -8.009 -4.153 173 HG12 VAL 24 2HG1 VAL 24 -1.235 -8.429 -2.462 174 HG13 VAL 24 3HG1 VAL 24 0.324 -8.756 -3.217 175 HG21 VAL 24 1HG2 VAL 24 0.634 -6.089 -4.706 176 HG22 VAL 24 2HG2 VAL 24 1.868 -6.911 -3.749 177 HG23 VAL 24 3HG2 VAL 24 1.430 -5.242 -3.381 178 HA PRO 25 HA PRO 25 -4.411 -6.096 -0.037 179 HB2 PRO 25 2HB PRO 25 -6.470 -6.645 -2.031 180 HB3 PRO 25 1HB PRO 25 -6.367 -5.331 -0.850 181 HG2 PRO 25 2HG PRO 25 -6.085 -4.879 -3.497 182 HG3 PRO 25 1HG PRO 25 -5.212 -3.945 -2.272 183 HD2 PRO 25 2HD PRO 25 -4.243 -6.264 -3.912 184 HD3 PRO 25 1HD PRO 25 -3.451 -4.704 -3.570 185 H LEU 26 H LEU 26 -4.466 -7.894 0.996 186 HA LEU 26 HA LEU 26 -5.023 -10.288 -0.463 187 HB2 LEU 26 2HB LEU 26 -3.148 -11.431 0.954 188 HB3 LEU 26 1HB LEU 26 -2.798 -10.598 -0.541 189 HG LEU 26 HG LEU 26 -2.106 -8.599 0.883 190 HD11 LEU 26 1HD1 LEU 26 -1.356 -9.027 3.154 191 HD12 LEU 26 2HD1 LEU 26 -2.085 -10.632 3.090 192 HD13 LEU 26 3HD1 LEU 26 -3.104 -9.198 2.993 193 HD21 LEU 26 1HD2 LEU 26 -0.522 -11.144 1.056 194 HD22 LEU 26 2HD2 LEU 26 0.113 -9.520 1.322 195 HD23 LEU 26 3HD2 LEU 26 -0.512 -9.973 -0.263 196 HA PRO 27 HA PRO 27 -6.805 -10.576 -0.766 197 HB2 PRO 27 2HB PRO 27 -9.531 -10.865 0.075 198 HB3 PRO 27 1HB PRO 27 -8.511 -12.071 -0.712 199 HG2 PRO 27 2HG PRO 27 -9.430 -12.311 1.856 200 HG3 PRO 27 1HG PRO 27 -7.936 -13.062 1.274 201 HD2 PRO 27 2HD PRO 27 -8.296 -10.514 2.811 202 HD3 PRO 27 1HD PRO 27 -7.103 -11.812 3.054 203 H ILE 28 H ILE 28 -8.175 -8.808 1.946 204 HA ILE 28 HA ILE 28 -9.088 -6.767 0.049 205 HB ILE 28 HB ILE 28 -10.153 -7.284 2.841 206 HG12 ILE 28 2HG1 ILE 28 -11.416 -7.636 0.110 207 HG13 ILE 28 1HG1 ILE 28 -10.868 -8.930 1.164 208 HG21 ILE 28 1HG2 ILE 28 -11.011 -5.203 0.820 209 HG22 ILE 28 2HG2 ILE 28 -10.170 -4.884 2.335 210 HG23 ILE 28 3HG2 ILE 28 -11.811 -5.535 2.357 211 HD11 ILE 28 1HD1 ILE 28 -13.267 -8.711 1.265 212 HD12 ILE 28 2HD1 ILE 28 -13.114 -7.010 1.700 213 HD13 ILE 28 3HD1 ILE 28 -12.559 -8.255 2.815 214 H PHE 29 H PHE 29 -7.595 -7.082 3.290 215 HA PHE 29 HA PHE 29 -6.716 -4.365 3.172 216 HB2 PHE 29 2HB PHE 29 -5.398 -4.860 5.213 217 HB3 PHE 29 1HB PHE 29 -7.058 -5.384 5.392 218 HD1 PHE 29 1HD PHE 29 -7.592 -7.730 5.622 219 HD2 PHE 29 2HD PHE 29 -3.564 -6.461 5.090 220 HE1 PHE 29 1HE PHE 29 -6.800 -9.936 6.361 221 HE2 PHE 29 2HE PHE 29 -2.771 -8.667 5.823 222 HZ PHE 29 HZ PHE 29 -4.389 -10.408 6.460 223 H GLY 30 H GLY 30 -4.547 -3.655 2.822 224 HA2 GLY 30 2HA GLY 30 -3.097 -5.637 1.247 225 HA3 GLY 30 1HA GLY 30 -3.392 -4.008 0.635 226 H LEU 31 H LEU 31 -1.033 -5.520 1.075 227 HA LEU 31 HA LEU 31 0.314 -3.912 3.100 228 HB2 LEU 31 2HB LEU 31 1.280 -6.293 1.505 229 HB3 LEU 31 1HB LEU 31 2.201 -5.458 2.737 230 HG LEU 31 HG LEU 31 -0.345 -7.010 3.215 231 HD11 LEU 31 1HD1 LEU 31 1.090 -8.612 4.347 232 HD12 LEU 31 2HD1 LEU 31 2.508 -7.665 3.898 233 HD13 LEU 31 3HD1 LEU 31 1.539 -8.448 2.650 234 HD21 LEU 31 1HD2 LEU 31 1.546 -5.672 5.155 235 HD22 LEU 31 2HD2 LEU 31 0.193 -6.712 5.596 236 HD23 LEU 31 3HD2 LEU 31 -0.109 -5.170 4.799 237 H CYS 32 H CYS 32 1.908 -2.534 2.493 238 HA CYS 32 HA CYS 32 1.769 -1.737 -0.294 239 HB2 CYS 32 2HB CYS 32 1.274 -0.095 1.503 240 HB3 CYS 32 1HB CYS 32 2.928 -0.286 2.084 241 H VAL 33 H VAL 33 3.292 -2.438 -1.568 242 HA VAL 33 HA VAL 33 5.893 -3.097 -0.420 243 HB VAL 33 HB VAL 33 4.777 -5.052 -1.375 244 HG11 VAL 33 1HG1 VAL 33 4.261 -5.235 -3.769 245 HG12 VAL 33 2HG1 VAL 33 4.654 -3.525 -3.962 246 HG13 VAL 33 3HG1 VAL 33 3.296 -4.008 -2.950 247 HG21 VAL 33 1HG2 VAL 33 7.202 -4.998 -1.591 248 HG22 VAL 33 2HG2 VAL 33 7.063 -4.147 -3.127 249 HG23 VAL 33 3HG2 VAL 33 6.487 -5.806 -2.986 250 HA PRO 34 HA PRO 34 7.551 0.376 -2.713 251 HB2 PRO 34 2HB PRO 34 10.178 -0.482 -2.698 252 HB3 PRO 34 1HB PRO 34 9.413 0.384 -1.360 253 HG2 PRO 34 2HG PRO 34 9.842 -2.550 -1.720 254 HG3 PRO 34 1HG PRO 34 10.056 -1.565 -0.258 255 HD2 PRO 34 2HD PRO 34 7.908 -3.096 -0.597 256 HD3 PRO 34 1HD PRO 34 7.764 -1.496 0.162 257 H ASP 35 H ASP 35 7.283 0.492 -4.817 258 HA ASP 35 HA ASP 35 7.973 -1.866 -6.422 259 HB2 ASP 35 2HB ASP 35 5.589 -1.065 -6.461 260 HB3 ASP 35 1HB ASP 35 6.162 0.408 -7.240 261 H VAL 36 H VAL 36 8.217 1.632 -6.364 262 HA VAL 36 HA VAL 36 9.992 1.631 -8.620 263 HB VAL 36 HB VAL 36 9.207 3.888 -6.738 264 HG11 VAL 36 1HG1 VAL 36 10.627 3.985 -9.403 265 HG12 VAL 36 2HG1 VAL 36 11.334 4.364 -7.834 266 HG13 VAL 36 3HG1 VAL 36 10.060 5.387 -8.498 267 HG21 VAL 36 1HG2 VAL 36 7.742 4.611 -8.559 268 HG22 VAL 36 2HG2 VAL 36 7.311 3.003 -7.974 269 HG23 VAL 36 3HG2 VAL 36 8.198 3.181 -9.489 Start of MODEL 13 1 H1 LEU 1 1HT LEU 1 12.627 -0.694 6.038 2 H2 LEU 1 2HT LEU 1 12.456 -0.728 7.697 3 H3 LEU 1 3HT LEU 1 12.727 0.753 6.882 4 HA LEU 1 HA LEU 1 10.359 -0.982 6.594 5 HB2 LEU 1 2HB LEU 1 10.608 1.815 7.754 6 HB3 LEU 1 1HB LEU 1 9.099 0.996 7.453 7 HG LEU 1 HG LEU 1 9.933 -0.737 9.175 8 HD11 LEU 1 1HD1 LEU 1 11.730 1.561 9.899 9 HD12 LEU 1 2HD1 LEU 1 12.258 -0.001 9.285 10 HD13 LEU 1 3HD1 LEU 1 11.462 0.106 10.855 11 HD21 LEU 1 1HD2 LEU 1 9.215 2.061 10.014 12 HD22 LEU 1 2HD2 LEU 1 9.082 0.620 11.023 13 HD23 LEU 1 3HD2 LEU 1 8.089 0.777 9.576 14 HA PRO 2 HA PRO 2 9.958 1.033 2.627 15 HB2 PRO 2 2HB PRO 2 7.239 1.015 2.405 16 HB3 PRO 2 1HB PRO 2 8.219 -0.431 2.142 17 HG2 PRO 2 2HG PRO 2 6.685 0.396 4.568 18 HG3 PRO 2 1HG PRO 2 6.806 -1.202 3.811 19 HD2 PRO 2 2HD PRO 2 8.224 -0.554 5.998 20 HD3 PRO 2 1HD PRO 2 8.883 -1.626 4.740 21 H ARG 3 H ARG 3 9.983 3.063 2.104 22 HA ARG 3 HA ARG 3 8.942 4.979 4.009 23 HB2 ARG 3 2HB ARG 3 10.694 5.317 1.587 24 HB3 ARG 3 1HB ARG 3 10.245 6.584 2.711 25 HG2 ARG 3 2HG ARG 3 11.469 5.539 4.483 26 HG3 ARG 3 1HG ARG 3 11.786 4.119 3.481 27 HD2 ARG 3 2HD ARG 3 12.718 6.916 2.918 28 HD3 ARG 3 1HD ARG 3 13.725 5.609 3.556 29 HE ARG 3 HE ARG 3 12.711 4.563 1.297 30 HH11 ARG 3 1HH1 ARG 3 14.430 7.589 1.933 31 HH12 ARG 3 2HH1 ARG 3 15.147 7.684 0.395 32 HH21 ARG 3 1HH2 ARG 3 13.677 4.671 -0.820 33 HH22 ARG 3 2HH2 ARG 3 14.679 5.979 -1.227 34 H CYS 4 H CYS 4 6.797 4.456 3.411 35 HA CYS 4 HA CYS 4 5.983 5.706 0.877 36 HB2 CYS 4 2HB CYS 4 4.723 3.325 2.230 37 HB3 CYS 4 1HB CYS 4 4.217 4.035 0.706 38 H ASP 5 H ASP 5 5.669 5.539 4.290 39 HA ASP 5 HA ASP 5 4.387 6.481 5.831 40 HB2 ASP 5 2HB ASP 5 3.643 8.299 3.537 41 HB3 ASP 5 1HB ASP 5 3.019 8.544 5.164 42 H SER 6 H SER 6 3.533 4.287 4.234 43 HA SER 6 HA SER 6 0.615 4.479 4.490 44 HB2 SER 6 2HB SER 6 2.196 2.425 2.942 45 HB3 SER 6 1HB SER 6 0.491 2.842 2.771 46 HG SER 6 HG SER 6 1.149 4.877 1.932 47 HA PRO 7 HA PRO 7 1.830 1.607 7.862 48 HB2 PRO 7 2HB PRO 7 -0.621 1.552 9.095 49 HB3 PRO 7 1HB PRO 7 0.584 2.805 9.388 50 HG2 PRO 7 2HG PRO 7 -1.858 2.892 7.676 51 HG3 PRO 7 1HG PRO 7 -1.141 4.164 8.675 52 HD2 PRO 7 2HD PRO 7 -0.872 4.019 5.958 53 HD3 PRO 7 1HD PRO 7 0.311 4.806 7.024 54 H PHE 8 H PHE 8 -0.930 1.468 5.759 55 HA PHE 8 HA PHE 8 -0.569 -1.255 5.143 56 HB2 PHE 8 2HB PHE 8 -2.799 -2.041 5.851 57 HB3 PHE 8 1HB PHE 8 -1.914 -1.485 7.261 58 HD1 PHE 8 1HD PHE 8 -4.863 -1.109 5.253 59 HD2 PHE 8 2HD PHE 8 -2.494 0.772 8.238 60 HE1 PHE 8 1HE PHE 8 -6.744 0.363 5.814 61 HE2 PHE 8 2HE PHE 8 -4.372 2.257 8.800 62 HZ PHE 8 HZ PHE 8 -6.496 2.053 7.592 63 H CYS 9 H CYS 9 -2.644 -1.725 3.621 64 HA CYS 9 HA CYS 9 -3.704 0.663 2.413 65 HB2 CYS 9 2HB CYS 9 -1.424 0.302 1.390 66 HB3 CYS 9 1HB CYS 9 -1.978 -1.276 0.861 67 H SER 10 H SER 10 -5.161 -0.254 0.424 68 HA SER 10 HA SER 10 -6.101 -2.937 0.948 69 HB2 SER 10 2HB SER 10 -8.452 -2.094 1.266 70 HB3 SER 10 1HB SER 10 -7.373 -1.677 2.601 71 HG SER 10 HG SER 10 -7.049 0.334 1.389 72 H LEU 11 H LEU 11 -7.850 -3.456 -0.738 73 HA LEU 11 HA LEU 11 -7.066 -2.393 -3.254 74 HB2 LEU 11 2HB LEU 11 -8.744 -3.789 -4.274 75 HB3 LEU 11 1HB LEU 11 -7.918 -4.719 -3.047 76 HG LEU 11 HG LEU 11 -10.559 -3.422 -2.468 77 HD11 LEU 11 1HD1 LEU 11 -10.846 -4.753 -4.510 78 HD12 LEU 11 2HD1 LEU 11 -11.630 -5.533 -3.138 79 HD13 LEU 11 3HD1 LEU 11 -10.073 -6.125 -3.719 80 HD21 LEU 11 1HD2 LEU 11 -9.425 -4.326 -0.545 81 HD22 LEU 11 2HD2 LEU 11 -9.124 -5.838 -1.399 82 HD23 LEU 11 3HD2 LEU 11 -10.769 -5.385 -0.963 83 H PHE 12 H PHE 12 -9.446 -1.610 -0.950 84 HA PHE 12 HA PHE 12 -11.129 -0.115 -2.731 85 HB2 PHE 12 2HB PHE 12 -11.033 -0.043 0.293 86 HB3 PHE 12 1HB PHE 12 -12.326 0.575 -0.724 87 HD1 PHE 12 1HD PHE 12 -11.544 -1.970 1.406 88 HD2 PHE 12 2HD PHE 12 -13.148 -1.388 -2.494 89 HE1 PHE 12 1HE PHE 12 -12.669 -4.152 1.533 90 HE2 PHE 12 2HE PHE 12 -14.269 -3.558 -2.360 91 HZ PHE 12 HZ PHE 12 -14.036 -4.947 -0.347 92 H ARG 13 H ARG 13 -8.730 0.594 -0.234 93 HA ARG 13 HA ARG 13 -8.432 3.238 -1.444 94 HB2 ARG 13 2HB ARG 13 -8.046 2.429 1.429 95 HB3 ARG 13 1HB ARG 13 -7.594 3.994 0.768 96 HG2 ARG 13 2HG ARG 13 -10.370 2.856 1.043 97 HG3 ARG 13 1HG ARG 13 -9.669 4.197 1.947 98 HD2 ARG 13 2HD ARG 13 -10.281 4.140 -1.012 99 HD3 ARG 13 1HD ARG 13 -11.152 5.034 0.224 100 HE ARG 13 HE ARG 13 -8.622 5.961 0.444 101 HH11 ARG 13 1HH1 ARG 13 -10.940 5.753 -2.234 102 HH12 ARG 13 2HH1 ARG 13 -10.286 7.068 -3.094 103 HH21 ARG 13 1HH2 ARG 13 -7.760 7.797 -0.704 104 HH22 ARG 13 2HH2 ARG 13 -8.428 8.259 -2.187 105 H ILE 14 H ILE 14 -6.920 2.733 -2.847 106 HA ILE 14 HA ILE 14 -4.452 1.550 -1.844 107 HB ILE 14 HB ILE 14 -3.665 1.635 -4.198 108 HG12 ILE 14 2HG1 ILE 14 -6.438 2.653 -4.837 109 HG13 ILE 14 1HG1 ILE 14 -4.954 3.598 -4.954 110 HG21 ILE 14 1HG2 ILE 14 -5.171 -0.084 -5.120 111 HG22 ILE 14 2HG2 ILE 14 -6.326 0.281 -3.836 112 HG23 ILE 14 3HG2 ILE 14 -4.742 -0.377 -3.433 113 HD11 ILE 14 1HD1 ILE 14 -5.685 2.822 -7.137 114 HD12 ILE 14 2HD1 ILE 14 -5.643 1.152 -6.554 115 HD13 ILE 14 3HD1 ILE 14 -4.147 2.075 -6.692 116 H GLY 15 H GLY 15 -5.934 4.382 -1.969 117 HA2 GLY 15 2HA GLY 15 -3.941 6.231 -2.734 118 HA3 GLY 15 1HA GLY 15 -5.386 6.593 -1.803 119 H LEU 16 H LEU 16 -3.904 4.231 -0.148 120 HA LEU 16 HA LEU 16 -2.725 5.988 1.777 121 HB2 LEU 16 2HB LEU 16 -2.698 2.996 1.455 122 HB3 LEU 16 1HB LEU 16 -1.706 3.768 2.669 123 HG LEU 16 HG LEU 16 -3.673 2.898 3.708 124 HD11 LEU 16 1HD1 LEU 16 -3.898 5.883 3.503 125 HD12 LEU 16 2HD1 LEU 16 -2.872 4.969 4.606 126 HD13 LEU 16 3HD1 LEU 16 -4.624 4.866 4.748 127 HD21 LEU 16 1HD2 LEU 16 -5.940 3.632 3.118 128 HD22 LEU 16 2HD2 LEU 16 -5.159 2.774 1.790 129 HD23 LEU 16 3HD2 LEU 16 -5.280 4.532 1.752 130 H CYS 17 H CYS 17 -1.648 4.229 -0.975 131 HA CYS 17 HA CYS 17 1.160 4.778 -0.441 132 HB2 CYS 17 2HB CYS 17 -0.178 3.323 -2.735 133 HB3 CYS 17 1HB CYS 17 1.545 3.351 -2.382 134 H GLY 18 H GLY 18 2.076 6.561 -1.330 135 HA2 GLY 18 2HA GLY 18 0.362 8.258 -2.955 136 HA3 GLY 18 1HA GLY 18 1.849 8.738 -2.162 137 H ASP 19 H ASP 19 1.024 6.230 -4.525 138 HA ASP 19 HA ASP 19 1.593 5.798 -6.660 139 HB2 ASP 19 2HB ASP 19 0.973 8.103 -7.001 140 HB3 ASP 19 1HB ASP 19 2.621 8.626 -6.699 141 H LYS 20 H LYS 20 3.911 6.749 -4.505 142 HA LYS 20 HA LYS 20 6.216 6.039 -6.101 143 HB2 LYS 20 2HB LYS 20 5.995 6.636 -3.182 144 HB3 LYS 20 1HB LYS 20 7.495 6.362 -4.065 145 HG2 LYS 20 2HG LYS 20 6.990 8.243 -5.511 146 HG3 LYS 20 1HG LYS 20 5.500 8.524 -4.610 147 HD2 LYS 20 2HD LYS 20 7.190 9.985 -3.908 148 HD3 LYS 20 1HD LYS 20 6.792 8.853 -2.594 149 HE2 LYS 20 2HE LYS 20 8.803 7.537 -3.170 150 HE3 LYS 20 1HE LYS 20 9.180 8.694 -4.449 151 HZ1 LYS 20 1HZ LYS 20 9.384 10.399 -2.728 152 HZ2 LYS 20 2HZ LYS 20 10.475 9.132 -2.511 153 HZ3 LYS 20 3HZ LYS 20 9.114 9.223 -1.539 154 H CYS 21 H CYS 21 4.003 4.514 -4.117 155 HA CYS 21 HA CYS 21 5.511 2.022 -4.077 156 HB2 CYS 21 2HB CYS 21 3.876 3.142 -1.794 157 HB3 CYS 21 1HB CYS 21 4.727 1.609 -1.817 158 H THR 22 H THR 22 4.083 0.217 -4.100 159 HA THR 22 HA THR 22 1.293 0.837 -4.719 160 HB THR 22 HB THR 22 3.057 -1.279 -6.013 161 HG1 THR 22 1HG THR 22 3.600 0.635 -6.868 162 HG21 THR 22 1HG2 THR 22 1.165 -1.671 -7.523 163 HG22 THR 22 2HG2 THR 22 0.210 -0.466 -6.661 164 HG23 THR 22 3HG2 THR 22 0.678 -1.962 -5.851 165 H CYS 23 H CYS 23 -0.184 -0.620 -3.771 166 HA CYS 23 HA CYS 23 1.066 -2.434 -1.853 167 HB2 CYS 23 2HB CYS 23 -0.949 -2.255 -0.542 168 HB3 CYS 23 1HB CYS 23 -0.228 -0.670 -0.804 169 H VAL 24 H VAL 24 0.080 -4.401 -1.403 170 HA VAL 24 HA VAL 24 -1.633 -5.372 -3.540 171 HB VAL 24 HB VAL 24 0.581 -6.407 -3.778 172 HG11 VAL 24 1HG1 VAL 24 1.559 -7.857 -2.053 173 HG12 VAL 24 2HG1 VAL 24 0.287 -7.361 -0.934 174 HG13 VAL 24 3HG1 VAL 24 1.447 -6.174 -1.530 175 HG21 VAL 24 1HG2 VAL 24 -1.439 -8.342 -2.657 176 HG22 VAL 24 2HG2 VAL 24 -0.038 -8.785 -3.629 177 HG23 VAL 24 3HG2 VAL 24 -1.320 -7.799 -4.331 178 HA PRO 25 HA PRO 25 -4.147 -6.010 0.078 179 HB2 PRO 25 2HB PRO 25 -6.453 -6.560 -1.227 180 HB3 PRO 25 1HB PRO 25 -5.823 -4.921 -1.049 181 HG2 PRO 25 2HG PRO 25 -5.826 -6.700 -3.428 182 HG3 PRO 25 1HG PRO 25 -5.887 -4.934 -3.345 183 HD2 PRO 25 2HD PRO 25 -3.626 -6.493 -3.913 184 HD3 PRO 25 1HD PRO 25 -3.645 -4.769 -3.502 185 H LEU 26 H LEU 26 -4.108 -7.859 1.249 186 HA LEU 26 HA LEU 26 -4.874 -10.257 -0.108 187 HB2 LEU 26 2HB LEU 26 -3.028 -11.617 0.720 188 HB3 LEU 26 1HB LEU 26 -2.461 -10.344 -0.320 189 HG LEU 26 HG LEU 26 -2.241 -10.302 2.695 190 HD11 LEU 26 1HD1 LEU 26 -0.933 -12.135 1.749 191 HD12 LEU 26 2HD1 LEU 26 0.126 -10.854 2.338 192 HD13 LEU 26 3HD1 LEU 26 -0.179 -11.021 0.608 193 HD21 LEU 26 1HD2 LEU 26 -2.165 -8.081 1.658 194 HD22 LEU 26 2HD2 LEU 26 -0.868 -8.624 0.591 195 HD23 LEU 26 3HD2 LEU 26 -0.597 -8.528 2.331 196 HA PRO 27 HA PRO 27 -6.672 -10.627 -0.176 197 HB2 PRO 27 2HB PRO 27 -9.275 -10.744 1.038 198 HB3 PRO 27 1HB PRO 27 -8.409 -12.021 0.181 199 HG2 PRO 27 2HG PRO 27 -8.946 -12.151 2.853 200 HG3 PRO 27 1HG PRO 27 -7.521 -12.897 2.115 201 HD2 PRO 27 2HD PRO 27 -7.756 -10.265 3.513 202 HD3 PRO 27 1HD PRO 27 -6.533 -11.535 3.742 203 H ILE 28 H ILE 28 -7.937 -8.641 2.501 204 HA ILE 28 HA ILE 28 -9.041 -6.769 0.529 205 HB ILE 28 HB ILE 28 -9.551 -6.939 3.515 206 HG12 ILE 28 2HG1 ILE 28 -10.637 -8.733 2.255 207 HG13 ILE 28 1HG1 ILE 28 -11.828 -7.608 2.898 208 HG21 ILE 28 1HG2 ILE 28 -9.644 -4.637 2.850 209 HG22 ILE 28 2HG2 ILE 28 -11.280 -5.222 3.168 210 HG23 ILE 28 3HG2 ILE 28 -10.710 -5.034 1.507 211 HD11 ILE 28 1HD1 ILE 28 -12.417 -8.302 0.657 212 HD12 ILE 28 2HD1 ILE 28 -10.854 -7.766 0.047 213 HD13 ILE 28 3HD1 ILE 28 -12.011 -6.585 0.667 214 H PHE 29 H PHE 29 -7.173 -6.769 3.517 215 HA PHE 29 HA PHE 29 -6.047 -4.206 2.730 216 HB2 PHE 29 2HB PHE 29 -6.015 -5.644 5.403 217 HB3 PHE 29 1HB PHE 29 -5.232 -4.098 5.085 218 HD1 PHE 29 1HD PHE 29 -8.334 -5.763 5.881 219 HD2 PHE 29 2HD PHE 29 -6.631 -2.125 4.494 220 HE1 PHE 29 1HE PHE 29 -10.432 -4.599 6.380 221 HE2 PHE 29 2HE PHE 29 -8.739 -0.942 4.995 222 HZ PHE 29 HZ PHE 29 -10.643 -2.183 5.933 223 H GLY 30 H GLY 30 -3.800 -3.961 2.756 224 HA2 GLY 30 2HA GLY 30 -2.208 -6.358 2.956 225 HA3 GLY 30 1HA GLY 30 -2.356 -5.681 1.343 226 H LEU 31 H LEU 31 -0.023 -5.706 1.778 227 HA LEU 31 HA LEU 31 0.936 -3.486 3.419 228 HB2 LEU 31 2HB LEU 31 2.455 -5.643 1.963 229 HB3 LEU 31 1HB LEU 31 3.129 -4.477 3.080 230 HG LEU 31 HG LEU 31 1.176 -6.661 3.790 231 HD11 LEU 31 1HD1 LEU 31 3.378 -7.519 3.236 232 HD12 LEU 31 2HD1 LEU 31 3.048 -7.672 4.959 233 HD13 LEU 31 3HD1 LEU 31 4.117 -6.393 4.375 234 HD21 LEU 31 1HD2 LEU 31 2.595 -4.628 5.513 235 HD22 LEU 31 2HD2 LEU 31 1.687 -6.009 6.118 236 HD23 LEU 31 3HD2 LEU 31 0.857 -4.736 5.226 237 H CYS 32 H CYS 32 2.367 -1.952 2.497 238 HA CYS 32 HA CYS 32 2.023 -1.629 -0.388 239 HB2 CYS 32 2HB CYS 32 1.054 0.127 1.156 240 HB3 CYS 32 1HB CYS 32 2.699 0.477 1.673 241 H VAL 33 H VAL 33 3.849 -1.600 -1.628 242 HA VAL 33 HA VAL 33 6.383 -1.612 -0.180 243 HB VAL 33 HB VAL 33 5.823 -3.901 -0.915 244 HG11 VAL 33 1HG1 VAL 33 5.743 -2.794 -3.708 245 HG12 VAL 33 2HG1 VAL 33 4.385 -3.442 -2.788 246 HG13 VAL 33 3HG1 VAL 33 5.701 -4.506 -3.288 247 HG21 VAL 33 1HG2 VAL 33 8.089 -2.695 -2.508 248 HG22 VAL 33 2HG2 VAL 33 7.863 -4.419 -2.223 249 HG23 VAL 33 3HG2 VAL 33 8.183 -3.339 -0.867 250 HA PRO 34 HA PRO 34 7.405 1.756 -2.938 251 HB2 PRO 34 2HB PRO 34 10.148 1.534 -2.729 252 HB3 PRO 34 1HB PRO 34 9.136 2.386 -1.557 253 HG2 PRO 34 2HG PRO 34 10.258 -0.380 -1.437 254 HG3 PRO 34 1HG PRO 34 10.118 0.824 -0.143 255 HD2 PRO 34 2HD PRO 34 8.416 -1.226 -0.344 256 HD3 PRO 34 1HD PRO 34 7.877 0.377 0.198 257 H ASP 35 H ASP 35 7.342 1.561 -5.048 258 HA ASP 35 HA ASP 35 8.137 -0.831 -6.396 259 HB2 ASP 35 2HB ASP 35 7.338 1.867 -7.500 260 HB3 ASP 35 1HB ASP 35 7.533 0.406 -8.458 261 H VAL 36 H VAL 36 9.171 2.499 -6.538 262 HA VAL 36 HA VAL 36 11.838 1.545 -7.124 263 HB VAL 36 HB VAL 36 12.208 3.845 -8.245 264 HG11 VAL 36 1HG1 VAL 36 12.029 1.770 -9.524 265 HG12 VAL 36 2HG1 VAL 36 11.254 3.102 -10.380 266 HG13 VAL 36 3HG1 VAL 36 10.272 1.912 -9.525 267 HG21 VAL 36 1HG2 VAL 36 9.184 3.799 -8.297 268 HG22 VAL 36 2HG2 VAL 36 10.212 4.941 -9.165 269 HG23 VAL 36 3HG2 VAL 36 10.181 4.943 -7.400 Start of MODEL 14 1 H1 LEU 1 1HT LEU 1 14.751 1.256 1.113 2 H2 LEU 1 2HT LEU 1 14.081 -0.260 0.902 3 H3 LEU 1 3HT LEU 1 15.484 -0.112 1.791 4 HA LEU 1 HA LEU 1 13.527 -0.510 3.084 5 HB2 LEU 1 2HB LEU 1 13.778 1.223 4.788 6 HB3 LEU 1 1HB LEU 1 15.338 0.725 4.188 7 HG LEU 1 HG LEU 1 13.982 3.272 3.285 8 HD11 LEU 1 1HD1 LEU 1 15.417 4.407 4.916 9 HD12 LEU 1 2HD1 LEU 1 15.978 2.837 5.502 10 HD13 LEU 1 3HD1 LEU 1 14.290 3.302 5.708 11 HD21 LEU 1 1HD2 LEU 1 16.861 2.382 3.267 12 HD22 LEU 1 2HD2 LEU 1 16.228 3.899 2.605 13 HD23 LEU 1 3HD2 LEU 1 15.777 2.344 1.885 14 HA PRO 2 HA PRO 2 9.783 1.370 1.637 15 HB2 PRO 2 2HB PRO 2 8.793 1.188 4.422 16 HB3 PRO 2 1HB PRO 2 8.129 0.442 2.958 17 HG2 PRO 2 2HG PRO 2 9.350 -1.024 4.798 18 HG3 PRO 2 1HG PRO 2 9.620 -1.337 3.071 19 HD2 PRO 2 2HD PRO 2 11.359 0.150 5.009 20 HD3 PRO 2 1HD PRO 2 11.804 -1.082 3.808 21 H ARG 3 H ARG 3 9.130 3.294 1.321 22 HA ARG 3 HA ARG 3 9.765 5.436 3.261 23 HB2 ARG 3 2HB ARG 3 9.627 5.565 0.242 24 HB3 ARG 3 1HB ARG 3 9.907 6.924 1.307 25 HG2 ARG 3 2HG ARG 3 12.025 5.863 2.031 26 HG3 ARG 3 1HG ARG 3 11.744 4.578 0.854 27 HD2 ARG 3 2HD ARG 3 13.229 6.223 -0.118 28 HD3 ARG 3 1HD ARG 3 11.665 6.296 -0.935 29 HE ARG 3 HE ARG 3 12.069 8.122 1.280 30 HH11 ARG 3 1HH1 ARG 3 11.866 7.769 -2.255 31 HH12 ARG 3 2HH1 ARG 3 11.927 9.443 -2.557 32 HH21 ARG 3 1HH2 ARG 3 12.121 10.395 0.863 33 HH22 ARG 3 2HH2 ARG 3 12.060 10.981 -0.743 34 H CYS 4 H CYS 4 7.460 3.721 2.960 35 HA CYS 4 HA CYS 4 5.449 5.103 1.454 36 HB2 CYS 4 2HB CYS 4 5.135 2.730 3.275 37 HB3 CYS 4 1HB CYS 4 4.108 3.200 1.922 38 H ASP 5 H ASP 5 5.796 4.108 4.857 39 HA ASP 5 HA ASP 5 5.019 4.808 6.810 40 HB2 ASP 5 2HB ASP 5 4.829 7.404 5.352 41 HB3 ASP 5 1HB ASP 5 4.122 7.271 6.960 42 H SER 6 H SER 6 3.133 4.250 4.339 43 HA SER 6 HA SER 6 0.572 4.955 5.198 44 HB2 SER 6 2HB SER 6 1.426 2.592 3.518 45 HB3 SER 6 1HB SER 6 -0.120 3.444 3.464 46 HG SER 6 HG SER 6 0.713 4.872 2.212 47 HA PRO 7 HA PRO 7 0.562 1.968 8.590 48 HB2 PRO 7 2HB PRO 7 -1.955 2.479 9.472 49 HB3 PRO 7 1HB PRO 7 -0.582 3.537 9.812 50 HG2 PRO 7 2HG PRO 7 -2.733 3.832 7.757 51 HG3 PRO 7 1HG PRO 7 -1.991 5.069 8.784 52 HD2 PRO 7 2HD PRO 7 -1.331 4.692 6.176 53 HD3 PRO 7 1HD PRO 7 -0.197 5.330 7.383 54 H PHE 8 H PHE 8 -1.806 2.119 6.038 55 HA PHE 8 HA PHE 8 -2.039 -0.713 5.955 56 HB2 PHE 8 2HB PHE 8 -4.512 -0.761 6.164 57 HB3 PHE 8 1HB PHE 8 -3.749 -0.247 7.659 58 HD1 PHE 8 1HD PHE 8 -4.158 1.934 8.564 59 HD2 PHE 8 2HD PHE 8 -5.763 0.850 4.776 60 HE1 PHE 8 1HE PHE 8 -5.639 3.893 8.629 61 HE2 PHE 8 2HE PHE 8 -7.237 2.820 4.839 62 HZ PHE 8 HZ PHE 8 -7.172 4.340 6.764 63 H CYS 9 H CYS 9 -3.813 -1.139 4.149 64 HA CYS 9 HA CYS 9 -4.529 0.865 2.378 65 HB2 CYS 9 2HB CYS 9 -2.029 0.731 1.885 66 HB3 CYS 9 1HB CYS 9 -2.308 -0.928 1.351 67 H SER 10 H SER 10 -5.634 -0.205 0.533 68 HA SER 10 HA SER 10 -6.192 -3.038 0.937 69 HB2 SER 10 2HB SER 10 -8.388 -0.961 1.065 70 HB3 SER 10 1HB SER 10 -8.565 -2.705 1.249 71 HG SER 10 HG SER 10 -6.837 -2.154 3.006 72 H LEU 11 H LEU 11 -7.733 -3.774 -0.821 73 HA LEU 11 HA LEU 11 -6.959 -2.704 -3.295 74 HB2 LEU 11 2HB LEU 11 -8.601 -4.292 -4.312 75 HB3 LEU 11 1HB LEU 11 -7.457 -4.992 -3.188 76 HG LEU 11 HG LEU 11 -9.303 -5.048 -1.467 77 HD11 LEU 11 1HD1 LEU 11 -11.603 -4.978 -2.268 78 HD12 LEU 11 2HD1 LEU 11 -11.023 -4.425 -3.844 79 HD13 LEU 11 3HD1 LEU 11 -10.804 -3.413 -2.421 80 HD21 LEU 11 1HD2 LEU 11 -9.720 -6.600 -4.001 81 HD22 LEU 11 2HD2 LEU 11 -10.354 -7.027 -2.410 82 HD23 LEU 11 3HD2 LEU 11 -8.613 -7.018 -2.695 83 H PHE 12 H PHE 12 -9.506 -1.966 -1.248 84 HA PHE 12 HA PHE 12 -11.040 -0.446 -3.160 85 HB2 PHE 12 2HB PHE 12 -11.116 -0.397 -0.128 86 HB3 PHE 12 1HB PHE 12 -12.233 0.472 -1.161 87 HD1 PHE 12 1HD PHE 12 -13.529 -1.030 -2.890 88 HD2 PHE 12 2HD PHE 12 -11.724 -2.456 0.701 89 HE1 PHE 12 1HE PHE 12 -15.048 -2.964 -2.889 90 HE2 PHE 12 2HE PHE 12 -13.239 -4.391 0.687 91 HZ PHE 12 HZ PHE 12 -14.899 -4.640 -1.101 92 H ARG 13 H ARG 13 -9.249 0.481 -0.264 93 HA ARG 13 HA ARG 13 -8.774 3.082 -1.441 94 HB2 ARG 13 2HB ARG 13 -8.511 2.073 1.372 95 HB3 ARG 13 1HB ARG 13 -7.789 3.598 0.890 96 HG2 ARG 13 2HG ARG 13 -9.857 4.104 1.939 97 HG3 ARG 13 1HG ARG 13 -10.105 4.343 0.213 98 HD2 ARG 13 2HD ARG 13 -12.005 3.213 1.148 99 HD3 ARG 13 1HD ARG 13 -11.133 2.110 0.095 100 HE ARG 13 HE ARG 13 -10.114 1.720 2.638 101 HH11 ARG 13 1HH1 ARG 13 -13.261 1.318 1.099 102 HH12 ARG 13 2HH1 ARG 13 -13.721 -0.009 2.064 103 HH21 ARG 13 1HH2 ARG 13 -10.741 -0.069 3.969 104 HH22 ARG 13 2HH2 ARG 13 -12.266 -0.803 3.771 105 H ILE 14 H ILE 14 -7.302 2.528 -2.912 106 HA ILE 14 HA ILE 14 -4.803 1.269 -2.089 107 HB ILE 14 HB ILE 14 -4.231 1.415 -4.533 108 HG12 ILE 14 2HG1 ILE 14 -7.085 2.407 -4.769 109 HG13 ILE 14 1HG1 ILE 14 -5.635 3.335 -5.126 110 HG21 ILE 14 1HG2 ILE 14 -6.779 -0.004 -3.800 111 HG22 ILE 14 2HG2 ILE 14 -5.138 -0.622 -3.622 112 HG23 ILE 14 3HG2 ILE 14 -5.808 -0.349 -5.234 113 HD11 ILE 14 1HD1 ILE 14 -5.125 1.804 -6.962 114 HD12 ILE 14 2HD1 ILE 14 -6.712 2.554 -7.150 115 HD13 ILE 14 3HD1 ILE 14 -6.583 0.887 -6.590 116 H GLY 15 H GLY 15 -6.069 4.242 -2.101 117 HA2 GLY 15 2HA GLY 15 -3.863 5.772 -3.123 118 HA3 GLY 15 1HA GLY 15 -5.291 6.398 -2.319 119 H LEU 16 H LEU 16 -4.206 4.088 -0.322 120 HA LEU 16 HA LEU 16 -3.088 5.889 1.566 121 HB2 LEU 16 2HB LEU 16 -3.185 2.900 1.426 122 HB3 LEU 16 1HB LEU 16 -2.200 3.681 2.636 123 HG LEU 16 HG LEU 16 -4.292 2.964 3.582 124 HD11 LEU 16 1HD1 LEU 16 -3.309 4.962 4.499 125 HD12 LEU 16 2HD1 LEU 16 -5.067 5.017 4.586 126 HD13 LEU 16 3HD1 LEU 16 -4.220 5.955 3.361 127 HD21 LEU 16 1HD2 LEU 16 -6.434 3.931 2.894 128 HD22 LEU 16 2HD2 LEU 16 -5.689 2.981 1.607 129 HD23 LEU 16 3HD2 LEU 16 -5.621 4.741 1.554 130 H CYS 17 H CYS 17 -1.709 3.790 -0.823 131 HA CYS 17 HA CYS 17 0.949 4.681 -0.064 132 HB2 CYS 17 2HB CYS 17 0.181 2.716 -2.234 133 HB3 CYS 17 1HB CYS 17 1.769 3.031 -1.597 134 H GLY 18 H GLY 18 1.650 6.470 -1.033 135 HA2 GLY 18 2HA GLY 18 0.517 7.072 -3.666 136 HA3 GLY 18 1HA GLY 18 0.605 8.282 -2.400 137 H ASP 19 H ASP 19 1.933 7.386 -5.113 138 HA ASP 19 HA ASP 19 3.490 8.399 -6.338 139 HB2 ASP 19 2HB ASP 19 3.299 10.232 -4.878 140 HB3 ASP 19 1HB ASP 19 4.464 9.555 -3.752 141 H LYS 20 H LYS 20 4.454 6.815 -3.548 142 HA LYS 20 HA LYS 20 6.994 6.039 -4.896 143 HB2 LYS 20 2HB LYS 20 6.635 6.291 -1.932 144 HB3 LYS 20 1HB LYS 20 8.134 6.045 -2.821 145 HG2 LYS 20 2HG LYS 20 7.767 8.230 -3.926 146 HG3 LYS 20 1HG LYS 20 6.371 8.468 -2.887 147 HD2 LYS 20 2HD LYS 20 7.886 8.185 -0.943 148 HD3 LYS 20 1HD LYS 20 9.249 8.232 -2.068 149 HE2 LYS 20 2HE LYS 20 7.209 10.395 -1.574 150 HE3 LYS 20 1HE LYS 20 8.933 10.459 -1.227 151 HZ1 LYS 20 1HZ LYS 20 7.687 10.366 -3.940 152 HZ2 LYS 20 2HZ LYS 20 9.352 10.326 -3.629 153 HZ3 LYS 20 3HZ LYS 20 8.461 11.677 -3.214 154 H CYS 21 H CYS 21 4.192 4.769 -3.258 155 HA CYS 21 HA CYS 21 5.476 2.170 -3.305 156 HB2 CYS 21 2HB CYS 21 3.838 3.263 -1.019 157 HB3 CYS 21 1HB CYS 21 4.452 1.629 -1.163 158 H THR 22 H THR 22 3.907 0.438 -3.124 159 HA THR 22 HA THR 22 1.248 1.104 -4.063 160 HB THR 22 HB THR 22 3.068 -1.048 -5.217 161 HG1 THR 22 1HG THR 22 2.201 0.934 -6.907 162 HG21 THR 22 1HG2 THR 22 1.312 -1.296 -6.923 163 HG22 THR 22 2HG2 THR 22 0.343 -0.074 -6.101 164 HG23 THR 22 3HG2 THR 22 0.678 -1.613 -5.308 165 H CYS 23 H CYS 23 -0.247 -0.251 -3.012 166 HA CYS 23 HA CYS 23 0.977 -2.065 -1.115 167 HB2 CYS 23 2HB CYS 23 -1.196 -2.142 -0.010 168 HB3 CYS 23 1HB CYS 23 -0.574 -0.502 -0.145 169 H VAL 24 H VAL 24 0.543 -4.144 -0.954 170 HA VAL 24 HA VAL 24 -0.780 -5.323 -3.275 171 HB VAL 24 HB VAL 24 1.132 -6.613 -1.301 172 HG11 VAL 24 1HG1 VAL 24 1.182 -8.467 -2.915 173 HG12 VAL 24 2HG1 VAL 24 -0.040 -7.638 -3.882 174 HG13 VAL 24 3HG1 VAL 24 -0.431 -8.199 -2.258 175 HG21 VAL 24 1HG2 VAL 24 2.279 -4.960 -2.686 176 HG22 VAL 24 2HG2 VAL 24 1.621 -5.707 -4.141 177 HG23 VAL 24 3HG2 VAL 24 2.762 -6.596 -3.132 178 HA PRO 25 HA PRO 25 -3.882 -6.030 -0.018 179 HB2 PRO 25 2HB PRO 25 -5.587 -6.717 -2.298 180 HB3 PRO 25 1HB PRO 25 -5.798 -5.448 -1.087 181 HG2 PRO 25 2HG PRO 25 -5.187 -4.886 -3.657 182 HG3 PRO 25 1HG PRO 25 -4.608 -3.898 -2.303 183 HD2 PRO 25 2HD PRO 25 -3.160 -5.992 -3.877 184 HD3 PRO 25 1HD PRO 25 -2.597 -4.412 -3.291 185 H LEU 26 H LEU 26 -4.042 -7.921 1.005 186 HA LEU 26 HA LEU 26 -4.144 -10.256 -0.641 187 HB2 LEU 26 2HB LEU 26 -2.504 -11.354 1.074 188 HB3 LEU 26 1HB LEU 26 -1.933 -10.421 -0.288 189 HG LEU 26 HG LEU 26 -1.665 -8.462 1.312 190 HD11 LEU 26 1HD1 LEU 26 -1.949 -10.577 3.423 191 HD12 LEU 26 2HD1 LEU 26 -3.035 -9.217 3.144 192 HD13 LEU 26 3HD1 LEU 26 -1.375 -8.926 3.672 193 HD21 LEU 26 1HD2 LEU 26 0.019 -10.918 1.727 194 HD22 LEU 26 2HD2 LEU 26 0.479 -9.277 2.181 195 HD23 LEU 26 3HD2 LEU 26 0.228 -9.685 0.484 196 HA PRO 27 HA PRO 27 -5.825 -10.514 -1.313 197 HB2 PRO 27 2HB PRO 27 -8.642 -11.057 -1.021 198 HB3 PRO 27 1HB PRO 27 -7.411 -12.076 -1.773 199 HG2 PRO 27 2HG PRO 27 -8.689 -12.787 0.514 200 HG3 PRO 27 1HG PRO 27 -7.018 -13.257 0.161 201 HD2 PRO 27 2HD PRO 27 -8.006 -10.975 1.845 202 HD3 PRO 27 1HD PRO 27 -6.761 -12.190 2.230 203 H ILE 28 H ILE 28 -7.625 -9.058 1.296 204 HA ILE 28 HA ILE 28 -8.687 -6.985 -0.512 205 HB ILE 28 HB ILE 28 -9.525 -7.608 2.341 206 HG12 ILE 28 2HG1 ILE 28 -10.988 -8.124 -0.259 207 HG13 ILE 28 1HG1 ILE 28 -10.149 -9.353 0.680 208 HG21 ILE 28 1HG2 ILE 28 -10.723 -5.689 0.331 209 HG22 ILE 28 2HG2 ILE 28 -9.835 -5.245 1.789 210 HG23 ILE 28 3HG2 ILE 28 -11.391 -6.063 1.921 211 HD11 ILE 28 1HD1 ILE 28 -12.573 -9.379 1.044 212 HD12 ILE 28 2HD1 ILE 28 -12.485 -7.722 1.650 213 HD13 ILE 28 3HD1 ILE 28 -11.680 -9.024 2.519 214 H PHE 29 H PHE 29 -7.349 -7.245 2.766 215 HA PHE 29 HA PHE 29 -6.348 -4.507 2.607 216 HB2 PHE 29 2HB PHE 29 -6.377 -6.536 4.863 217 HB3 PHE 29 1HB PHE 29 -5.671 -4.933 4.997 218 HD1 PHE 29 1HD PHE 29 -8.788 -6.850 4.735 219 HD2 PHE 29 2HD PHE 29 -7.062 -3.002 5.267 220 HE1 PHE 29 1HE PHE 29 -10.965 -5.975 5.464 221 HE2 PHE 29 2HE PHE 29 -9.239 -2.128 5.990 222 HZ PHE 29 HZ PHE 29 -11.186 -3.604 6.091 223 H GLY 30 H GLY 30 -4.077 -4.089 2.750 224 HA2 GLY 30 2HA GLY 30 -2.395 -6.455 2.615 225 HA3 GLY 30 1HA GLY 30 -2.441 -5.453 1.182 226 H LEU 31 H LEU 31 -0.166 -5.633 1.776 227 HA LEU 31 HA LEU 31 0.722 -3.727 3.818 228 HB2 LEU 31 2HB LEU 31 2.250 -5.754 2.194 229 HB3 LEU 31 1HB LEU 31 2.921 -4.751 3.459 230 HG LEU 31 HG LEU 31 0.853 -6.918 3.834 231 HD11 LEU 31 1HD1 LEU 31 3.046 -7.808 3.303 232 HD12 LEU 31 2HD1 LEU 31 2.633 -8.112 4.989 233 HD13 LEU 31 3HD1 LEU 31 3.766 -6.827 4.579 234 HD21 LEU 31 1HD2 LEU 31 0.537 -5.138 5.454 235 HD22 LEU 31 2HD2 LEU 31 2.255 -5.160 5.845 236 HD23 LEU 31 3HD2 LEU 31 1.246 -6.551 6.239 237 H CYS 32 H CYS 32 2.271 -2.116 3.209 238 HA CYS 32 HA CYS 32 1.938 -1.291 0.421 239 HB2 CYS 32 2HB CYS 32 1.179 0.215 2.319 240 HB3 CYS 32 1HB CYS 32 2.879 0.371 2.757 241 H VAL 33 H VAL 33 3.668 -1.523 -0.890 242 HA VAL 33 HA VAL 33 6.284 -1.747 0.394 243 HB VAL 33 HB VAL 33 5.411 -3.954 -0.354 244 HG11 VAL 33 1HG1 VAL 33 4.021 -3.313 -2.196 245 HG12 VAL 33 2HG1 VAL 33 5.204 -4.513 -2.723 246 HG13 VAL 33 3HG1 VAL 33 5.432 -2.812 -3.129 247 HG21 VAL 33 1HG2 VAL 33 7.794 -3.009 -1.944 248 HG22 VAL 33 2HG2 VAL 33 7.357 -4.695 -1.671 249 HG23 VAL 33 3HG2 VAL 33 7.815 -3.677 -0.310 250 HA PRO 34 HA PRO 34 7.461 1.562 -2.409 251 HB2 PRO 34 2HB PRO 34 10.158 0.935 -2.566 252 HB3 PRO 34 1HB PRO 34 9.441 1.880 -1.258 253 HG2 PRO 34 2HG PRO 34 10.105 -1.025 -1.358 254 HG3 PRO 34 1HG PRO 34 10.366 0.125 -0.033 255 HD2 PRO 34 2HD PRO 34 8.343 -1.599 0.025 256 HD3 PRO 34 1HD PRO 34 8.121 0.065 0.604 257 H ASP 35 H ASP 35 7.022 1.420 -4.510 258 HA ASP 35 HA ASP 35 7.706 -1.089 -5.897 259 HB2 ASP 35 2HB ASP 35 5.282 -0.491 -5.746 260 HB3 ASP 35 1HB ASP 35 5.638 0.964 -6.671 261 H VAL 36 H VAL 36 7.563 2.415 -6.336 262 HA VAL 36 HA VAL 36 9.412 2.117 -8.555 263 HB VAL 36 HB VAL 36 7.951 4.620 -7.659 264 HG11 VAL 36 1HG1 VAL 36 9.999 5.067 -8.878 265 HG12 VAL 36 2HG1 VAL 36 8.598 5.493 -9.868 266 HG13 VAL 36 3HG1 VAL 36 9.483 3.996 -10.180 267 HG21 VAL 36 1HG2 VAL 36 6.362 2.940 -8.426 268 HG22 VAL 36 2HG2 VAL 36 7.284 2.734 -9.915 269 HG23 VAL 36 3HG2 VAL 36 6.472 4.263 -9.583 Start of MODEL 15 1 H1 LEU 1 1HT LEU 1 15.497 7.490 -1.940 2 H2 LEU 1 2HT LEU 1 14.984 7.694 -0.342 3 H3 LEU 1 3HT LEU 1 14.149 8.437 -1.593 4 HA LEU 1 HA LEU 1 13.392 6.435 -2.460 5 HB2 LEU 1 2HB LEU 1 14.921 5.184 -0.178 6 HB3 LEU 1 1HB LEU 1 13.757 4.323 -1.169 7 HG LEU 1 HG LEU 1 16.263 5.602 -2.161 8 HD11 LEU 1 1HD1 LEU 1 17.103 3.287 -2.422 9 HD12 LEU 1 2HD1 LEU 1 15.631 2.684 -1.662 10 HD13 LEU 1 3HD1 LEU 1 16.761 3.671 -0.734 11 HD21 LEU 1 1HD2 LEU 1 15.827 4.291 -4.217 12 HD22 LEU 1 2HD2 LEU 1 14.614 5.525 -3.900 13 HD23 LEU 1 3HD2 LEU 1 14.261 3.833 -3.549 14 HA PRO 2 HA PRO 2 10.156 7.828 0.141 15 HB2 PRO 2 2HB PRO 2 8.124 6.661 -1.176 16 HB3 PRO 2 1HB PRO 2 8.999 8.047 -1.835 17 HG2 PRO 2 2HG PRO 2 9.289 5.143 -2.484 18 HG3 PRO 2 1HG PRO 2 9.285 6.537 -3.579 19 HD2 PRO 2 2HD PRO 2 11.597 5.300 -2.750 20 HD3 PRO 2 1HD PRO 2 11.513 7.014 -3.165 21 H ARG 3 H ARG 3 9.216 7.252 1.886 22 HA ARG 3 HA ARG 3 8.811 4.408 2.403 23 HB2 ARG 3 2HB ARG 3 9.660 6.566 4.342 24 HB3 ARG 3 1HB ARG 3 9.196 4.938 4.800 25 HG2 ARG 3 2HG ARG 3 11.078 4.078 3.442 26 HG3 ARG 3 1HG ARG 3 11.569 5.746 3.136 27 HD2 ARG 3 2HD ARG 3 11.834 6.090 5.559 28 HD3 ARG 3 1HD ARG 3 11.366 4.413 5.835 29 HE ARG 3 HE ARG 3 13.684 5.017 4.154 30 HH11 ARG 3 1HH1 ARG 3 12.418 3.588 7.135 31 HH12 ARG 3 2HH1 ARG 3 13.887 2.826 7.543 32 HH21 ARG 3 1HH2 ARG 3 15.686 3.909 4.724 33 HH22 ARG 3 2HH2 ARG 3 15.749 2.996 6.160 34 H CYS 4 H CYS 4 6.706 4.149 2.179 35 HA CYS 4 HA CYS 4 4.826 6.221 2.806 36 HB2 CYS 4 2HB CYS 4 4.336 3.311 2.141 37 HB3 CYS 4 1HB CYS 4 3.127 4.592 2.152 38 H ASP 5 H ASP 5 5.982 3.249 4.251 39 HA ASP 5 HA ASP 5 5.720 2.233 6.219 40 HB2 ASP 5 2HB ASP 5 5.415 5.087 7.161 41 HB3 ASP 5 1HB ASP 5 5.592 3.713 8.246 42 H SER 6 H SER 6 3.444 2.336 4.682 43 HA SER 6 HA SER 6 1.233 2.986 6.403 44 HB2 SER 6 2HB SER 6 1.285 1.695 3.678 45 HB3 SER 6 1HB SER 6 -0.120 2.412 4.481 46 HG SER 6 HG SER 6 1.815 4.167 4.562 47 HA PRO 7 HA PRO 7 1.454 -1.065 8.236 48 HB2 PRO 7 2HB PRO 7 -0.862 -0.896 9.687 49 HB3 PRO 7 1HB PRO 7 0.654 -0.137 10.185 50 HG2 PRO 7 2HG PRO 7 -1.718 1.080 8.840 51 HG3 PRO 7 1HG PRO 7 -0.703 1.742 10.131 52 HD2 PRO 7 2HD PRO 7 -0.452 2.483 7.533 53 HD3 PRO 7 1HD PRO 7 0.923 2.449 8.658 54 H PHE 8 H PHE 8 -1.377 0.194 6.623 55 HA PHE 8 HA PHE 8 -1.904 -2.378 5.451 56 HB2 PHE 8 2HB PHE 8 -3.966 -0.777 6.993 57 HB3 PHE 8 1HB PHE 8 -4.383 -2.022 5.826 58 HD1 PHE 8 1HD PHE 8 -3.976 -4.366 6.320 59 HD2 PHE 8 2HD PHE 8 -3.106 -1.328 9.167 60 HE1 PHE 8 1HE PHE 8 -3.846 -6.066 8.092 61 HE2 PHE 8 2HE PHE 8 -2.970 -3.020 10.938 62 HZ PHE 8 HZ PHE 8 -3.344 -5.394 10.404 63 H CYS 9 H CYS 9 -3.453 -2.104 3.712 64 HA CYS 9 HA CYS 9 -3.952 0.497 2.624 65 HB2 CYS 9 2HB CYS 9 -1.606 -0.088 1.879 66 HB3 CYS 9 1HB CYS 9 -2.260 -1.564 1.177 67 H SER 10 H SER 10 -5.319 -0.015 0.556 68 HA SER 10 HA SER 10 -6.507 -2.672 0.651 69 HB2 SER 10 2HB SER 10 -8.136 -0.147 1.006 70 HB3 SER 10 1HB SER 10 -8.755 -1.796 0.941 71 HG SER 10 HG SER 10 -6.898 -1.710 2.818 72 H LEU 11 H LEU 11 -8.085 -2.871 -1.214 73 HA LEU 11 HA LEU 11 -6.961 -1.671 -3.502 74 HB2 LEU 11 2HB LEU 11 -8.688 -2.834 -4.816 75 HB3 LEU 11 1HB LEU 11 -7.903 -3.881 -3.660 76 HG LEU 11 HG LEU 11 -10.007 -3.531 -2.201 77 HD11 LEU 11 1HD1 LEU 11 -10.956 -1.658 -3.433 78 HD12 LEU 11 2HD1 LEU 11 -12.052 -3.039 -3.414 79 HD13 LEU 11 3HD1 LEU 11 -11.117 -2.676 -4.864 80 HD21 LEU 11 1HD2 LEU 11 -10.212 -5.024 -4.800 81 HD22 LEU 11 2HD2 LEU 11 -11.183 -5.313 -3.355 82 HD23 LEU 11 3HD2 LEU 11 -9.445 -5.614 -3.330 83 H PHE 12 H PHE 12 -9.516 -0.814 -1.462 84 HA PHE 12 HA PHE 12 -10.597 1.282 -3.146 85 HB2 PHE 12 2HB PHE 12 -10.945 0.860 -0.160 86 HB3 PHE 12 1HB PHE 12 -11.887 1.954 -1.157 87 HD1 PHE 12 1HD PHE 12 -13.261 0.869 -3.060 88 HD2 PHE 12 2HD PHE 12 -11.681 -1.288 0.257 89 HE1 PHE 12 1HE PHE 12 -14.908 -0.899 -3.430 90 HE2 PHE 12 2HE PHE 12 -13.324 -3.069 -0.116 91 HZ PHE 12 HZ PHE 12 -14.943 -2.885 -1.962 92 H ARG 13 H ARG 13 -8.705 1.115 -0.163 93 HA ARG 13 HA ARG 13 -7.893 3.892 -0.502 94 HB2 ARG 13 2HB ARG 13 -7.651 2.037 1.875 95 HB3 ARG 13 1HB ARG 13 -6.827 3.575 1.796 96 HG2 ARG 13 2HG ARG 13 -8.763 3.867 3.119 97 HG3 ARG 13 1HG ARG 13 -9.069 4.670 1.592 98 HD2 ARG 13 2HD ARG 13 -10.360 2.729 0.844 99 HD3 ARG 13 1HD ARG 13 -10.048 1.948 2.395 100 HE ARG 13 HE ARG 13 -11.220 4.501 2.723 101 HH11 ARG 13 1HH1 ARG 13 -12.010 1.140 1.982 102 HH12 ARG 13 2HH1 ARG 13 -13.644 1.278 2.424 103 HH21 ARG 13 1HH2 ARG 13 -13.437 4.671 3.362 104 HH22 ARG 13 2HH2 ARG 13 -14.479 3.338 3.248 105 H ILE 14 H ILE 14 -6.501 3.549 -2.209 106 HA ILE 14 HA ILE 14 -4.074 1.993 -1.643 107 HB ILE 14 HB ILE 14 -3.482 2.440 -4.041 108 HG12 ILE 14 2HG1 ILE 14 -6.287 3.565 -4.199 109 HG13 ILE 14 1HG1 ILE 14 -4.805 4.504 -4.337 110 HG21 ILE 14 1HG2 ILE 14 -5.096 0.871 -5.016 111 HG22 ILE 14 2HG2 ILE 14 -6.121 1.063 -3.594 112 HG23 ILE 14 3HG2 ILE 14 -4.520 0.344 -3.434 113 HD11 ILE 14 1HD1 ILE 14 -4.247 3.302 -6.388 114 HD12 ILE 14 2HD1 ILE 14 -5.830 4.079 -6.507 115 HD13 ILE 14 3HD1 ILE 14 -5.718 2.343 -6.223 116 H GLY 15 H GLY 15 -5.284 4.990 -1.275 117 HA2 GLY 15 2HA GLY 15 -3.284 6.728 -2.207 118 HA3 GLY 15 1HA GLY 15 -4.480 7.106 -0.982 119 H LEU 16 H LEU 16 -3.276 4.655 0.469 120 HA LEU 16 HA LEU 16 -1.533 6.076 2.191 121 HB2 LEU 16 2HB LEU 16 -1.962 3.112 1.838 122 HB3 LEU 16 1HB LEU 16 -0.958 3.792 3.099 123 HG LEU 16 HG LEU 16 -2.965 3.167 4.112 124 HD11 LEU 16 1HD1 LEU 16 -3.959 5.227 4.914 125 HD12 LEU 16 2HD1 LEU 16 -3.147 6.117 3.631 126 HD13 LEU 16 3HD1 LEU 16 -2.198 5.300 4.875 127 HD21 LEU 16 1HD2 LEU 16 -5.190 3.821 3.350 128 HD22 LEU 16 2HD2 LEU 16 -4.342 2.874 2.127 129 HD23 LEU 16 3HD2 LEU 16 -4.478 4.623 1.951 130 H CYS 17 H CYS 17 -1.067 3.995 -0.557 131 HA CYS 17 HA CYS 17 1.854 4.213 -0.289 132 HB2 CYS 17 2HB CYS 17 0.210 2.233 -1.855 133 HB3 CYS 17 1HB CYS 17 1.944 2.171 -1.563 134 H GLY 18 H GLY 18 -0.365 5.900 -1.514 135 HA2 GLY 18 2HA GLY 18 -0.762 5.905 -4.180 136 HA3 GLY 18 1HA GLY 18 -0.627 7.371 -3.237 137 H ASP 19 H ASP 19 0.839 5.240 -5.447 138 HA ASP 19 HA ASP 19 2.292 5.405 -7.085 139 HB2 ASP 19 2HB ASP 19 1.316 7.633 -7.360 140 HB3 ASP 19 1HB ASP 19 2.621 8.322 -6.401 141 H LYS 20 H LYS 20 3.134 6.243 -4.034 142 HA LYS 20 HA LYS 20 6.003 6.437 -4.347 143 HB2 LYS 20 2HB LYS 20 4.281 6.097 -1.903 144 HB3 LYS 20 1HB LYS 20 6.010 6.365 -1.867 145 HG2 LYS 20 2HG LYS 20 4.142 8.275 -3.195 146 HG3 LYS 20 1HG LYS 20 4.473 8.351 -1.466 147 HD2 LYS 20 2HD LYS 20 6.845 8.641 -1.932 148 HD3 LYS 20 1HD LYS 20 6.533 8.510 -3.664 149 HE2 LYS 20 2HE LYS 20 6.792 10.843 -2.890 150 HE3 LYS 20 1HE LYS 20 5.227 10.519 -3.631 151 HZ1 LYS 20 1HZ LYS 20 5.740 10.669 -0.692 152 HZ2 LYS 20 2HZ LYS 20 4.255 10.370 -1.432 153 HZ3 LYS 20 3HZ LYS 20 5.001 11.856 -1.641 154 H CYS 21 H CYS 21 3.764 4.044 -3.008 155 HA CYS 21 HA CYS 21 5.881 2.002 -3.152 156 HB2 CYS 21 2HB CYS 21 3.845 2.217 -0.912 157 HB3 CYS 21 1HB CYS 21 5.204 1.112 -1.016 158 H THR 22 H THR 22 4.546 -0.253 -2.649 159 HA THR 22 HA THR 22 2.145 -0.118 -4.316 160 HB THR 22 HB THR 22 4.169 -2.379 -4.210 161 HG1 THR 22 1HG THR 22 4.058 -0.060 -5.741 162 HG21 THR 22 1HG2 THR 22 2.985 -3.197 -6.205 163 HG22 THR 22 2HG2 THR 22 1.884 -1.824 -6.123 164 HG23 THR 22 3HG2 THR 22 1.873 -3.039 -4.845 165 H CYS 23 H CYS 23 0.399 -1.226 -3.372 166 HA CYS 23 HA CYS 23 1.138 -2.876 -1.092 167 HB2 CYS 23 2HB CYS 23 -1.009 -2.403 -0.066 168 HB3 CYS 23 1HB CYS 23 -0.070 -0.928 -0.256 169 H VAL 24 H VAL 24 0.007 -4.788 -0.800 170 HA VAL 24 HA VAL 24 -1.289 -5.677 -3.280 171 HB VAL 24 HB VAL 24 0.154 -7.409 -1.249 172 HG11 VAL 24 1HG1 VAL 24 -0.010 -9.162 -2.962 173 HG12 VAL 24 2HG1 VAL 24 -0.941 -8.066 -3.981 174 HG13 VAL 24 3HG1 VAL 24 -1.598 -8.602 -2.435 175 HG21 VAL 24 1HG2 VAL 24 1.096 -6.492 -3.968 176 HG22 VAL 24 2HG2 VAL 24 1.922 -7.657 -2.934 177 HG23 VAL 24 3HG2 VAL 24 1.752 -5.981 -2.414 178 HA PRO 25 HA PRO 25 -4.709 -5.945 -0.260 179 HB2 PRO 25 2HB PRO 25 -6.274 -5.993 -2.760 180 HB3 PRO 25 1HB PRO 25 -6.417 -4.903 -1.378 181 HG2 PRO 25 2HG PRO 25 -5.445 -4.039 -3.710 182 HG3 PRO 25 1HG PRO 25 -4.780 -3.468 -2.169 183 HD2 PRO 25 2HD PRO 25 -3.707 -5.556 -4.030 184 HD3 PRO 25 1HD PRO 25 -2.852 -4.242 -3.195 185 H LEU 26 H LEU 26 -5.148 -7.961 0.480 186 HA LEU 26 HA LEU 26 -5.687 -10.013 -1.485 187 HB2 LEU 26 2HB LEU 26 -4.426 -11.705 -0.252 188 HB3 LEU 26 1HB LEU 26 -3.402 -10.414 -0.822 189 HG LEU 26 HG LEU 26 -4.338 -10.665 2.045 190 HD11 LEU 26 1HD1 LEU 26 -1.761 -11.547 0.773 191 HD12 LEU 26 2HD1 LEU 26 -3.018 -12.594 1.448 192 HD13 LEU 26 3HD1 LEU 26 -2.098 -11.526 2.501 193 HD21 LEU 26 1HD2 LEU 26 -3.603 -8.416 1.386 194 HD22 LEU 26 2HD2 LEU 26 -2.069 -9.085 0.830 195 HD23 LEU 26 3HD2 LEU 26 -2.498 -9.153 2.541 196 HA PRO 27 HA PRO 27 -7.346 -9.989 -2.194 197 HB2 PRO 27 2HB PRO 27 -9.946 -10.268 -2.616 198 HB3 PRO 27 1HB PRO 27 -8.942 -11.682 -2.280 199 HG2 PRO 27 2HG PRO 27 -10.839 -10.243 -0.489 200 HG3 PRO 27 1HG PRO 27 -10.502 -11.973 -0.607 201 HD2 PRO 27 2HD PRO 27 -9.445 -10.225 1.285 202 HD3 PRO 27 1HD PRO 27 -8.828 -11.842 0.922 203 H ILE 28 H ILE 28 -8.621 -8.283 0.430 204 HA ILE 28 HA ILE 28 -9.401 -6.020 -1.301 205 HB ILE 28 HB ILE 28 -10.593 -6.741 1.395 206 HG12 ILE 28 2HG1 ILE 28 -11.839 -6.766 -1.362 207 HG13 ILE 28 1HG1 ILE 28 -11.314 -8.195 -0.482 208 HG21 ILE 28 1HG2 ILE 28 -11.278 -4.472 -0.489 209 HG22 ILE 28 2HG2 ILE 28 -10.479 -4.312 1.076 210 HG23 ILE 28 3HG2 ILE 28 -12.148 -4.876 0.992 211 HD11 ILE 28 1HD1 ILE 28 -13.719 -7.878 -0.348 212 HD12 ILE 28 2HD1 ILE 28 -13.469 -6.288 0.383 213 HD13 ILE 28 3HD1 ILE 28 -12.961 -7.744 1.239 214 H PHE 29 H PHE 29 -8.200 -6.860 1.934 215 HA PHE 29 HA PHE 29 -6.923 -4.239 2.128 216 HB2 PHE 29 2HB PHE 29 -7.370 -6.371 4.240 217 HB3 PHE 29 1HB PHE 29 -6.726 -4.759 4.515 218 HD1 PHE 29 1HD PHE 29 -8.184 -2.816 4.466 219 HD2 PHE 29 2HD PHE 29 -9.742 -6.733 3.901 220 HE1 PHE 29 1HE PHE 29 -10.443 -1.978 4.849 221 HE2 PHE 29 2HE PHE 29 -12.004 -5.896 4.277 222 HZ PHE 29 HZ PHE 29 -12.369 -3.512 4.753 223 H GLY 30 H GLY 30 -4.683 -4.187 2.605 224 HA2 GLY 30 2HA GLY 30 -3.250 -6.692 2.654 225 HA3 GLY 30 1HA GLY 30 -3.024 -5.723 1.207 226 H LEU 31 H LEU 31 -0.841 -6.065 2.208 227 HA LEU 31 HA LEU 31 -0.244 -3.982 4.178 228 HB2 LEU 31 2HB LEU 31 1.474 -6.246 3.149 229 HB3 LEU 31 1HB LEU 31 1.910 -5.137 4.423 230 HG LEU 31 HG LEU 31 -0.252 -7.236 4.542 231 HD11 LEU 31 1HD1 LEU 31 2.351 -6.973 6.023 232 HD12 LEU 31 2HD1 LEU 31 2.007 -8.117 4.726 233 HD13 LEU 31 3HD1 LEU 31 1.143 -8.235 6.261 234 HD21 LEU 31 1HD2 LEU 31 -0.521 -6.565 6.890 235 HD22 LEU 31 2HD2 LEU 31 -0.963 -5.272 5.781 236 HD23 LEU 31 3HD2 LEU 31 0.588 -5.219 6.620 237 H CYS 32 H CYS 32 1.909 -2.821 3.671 238 HA CYS 32 HA CYS 32 1.867 -2.203 0.804 239 HB2 CYS 32 2HB CYS 32 0.967 -0.410 2.330 240 HB3 CYS 32 1HB CYS 32 2.586 -0.296 3.023 241 H VAL 33 H VAL 33 3.768 -2.156 -0.239 242 HA VAL 33 HA VAL 33 6.157 -2.531 1.353 243 HB VAL 33 HB VAL 33 5.490 -4.741 0.594 244 HG11 VAL 33 1HG1 VAL 33 4.061 -4.149 -1.269 245 HG12 VAL 33 2HG1 VAL 33 5.266 -5.339 -1.760 246 HG13 VAL 33 3HG1 VAL 33 5.464 -3.644 -2.210 247 HG21 VAL 33 1HG2 VAL 33 7.874 -4.276 0.592 248 HG22 VAL 33 2HG2 VAL 33 7.773 -3.720 -1.080 249 HG23 VAL 33 3HG2 VAL 33 7.443 -5.409 -0.688 250 HA PRO 34 HA PRO 34 7.510 0.688 -1.418 251 HB2 PRO 34 2HB PRO 34 10.143 0.687 -0.670 252 HB3 PRO 34 1HB PRO 34 8.879 1.512 0.250 253 HG2 PRO 34 2HG PRO 34 10.188 -1.112 0.755 254 HG3 PRO 34 1HG PRO 34 9.653 0.128 1.900 255 HD2 PRO 34 2HD PRO 34 8.258 -2.166 1.397 256 HD3 PRO 34 1HD PRO 34 7.497 -0.657 1.938 257 H ASP 35 H ASP 35 8.133 0.491 -3.421 258 HA ASP 35 HA ASP 35 9.357 -2.038 -4.297 259 HB2 ASP 35 2HB ASP 35 7.181 -1.376 -5.318 260 HB3 ASP 35 1HB ASP 35 7.971 0.087 -5.906 261 H VAL 36 H VAL 36 9.572 1.416 -4.443 262 HA VAL 36 HA VAL 36 12.194 1.190 -5.607 263 HB VAL 36 HB VAL 36 10.809 2.553 -7.060 264 HG11 VAL 36 1HG1 VAL 36 9.670 4.584 -6.364 265 HG12 VAL 36 2HG1 VAL 36 10.119 4.265 -4.688 266 HG13 VAL 36 3HG1 VAL 36 9.034 3.162 -5.535 267 HG21 VAL 36 1HG2 VAL 36 12.604 4.353 -5.441 268 HG22 VAL 36 2HG2 VAL 36 11.987 4.709 -7.053 269 HG23 VAL 36 3HG2 VAL 36 13.084 3.350 -6.810 Start of MODEL 16 1 H1 LEU 1 1HT LEU 1 14.638 7.475 3.439 2 H2 LEU 1 2HT LEU 1 15.104 8.550 2.223 3 H3 LEU 1 3HT LEU 1 16.196 7.389 2.766 4 HA LEU 1 HA LEU 1 15.232 6.819 0.635 5 HB2 LEU 1 2HB LEU 1 15.798 5.081 2.406 6 HB3 LEU 1 1HB LEU 1 14.097 5.095 2.842 7 HG LEU 1 HG LEU 1 13.582 4.290 0.530 8 HD11 LEU 1 1HD1 LEU 1 15.646 5.021 -0.576 9 HD12 LEU 1 2HD1 LEU 1 15.384 3.289 -0.772 10 HD13 LEU 1 3HD1 LEU 1 16.568 3.875 0.395 11 HD21 LEU 1 1HD2 LEU 1 15.362 2.590 2.265 12 HD22 LEU 1 2HD2 LEU 1 14.312 1.983 0.989 13 HD23 LEU 1 3HD2 LEU 1 13.613 2.770 2.408 14 HA PRO 2 HA PRO 2 10.985 8.211 0.040 15 HB2 PRO 2 2HB PRO 2 10.827 5.898 -1.823 16 HB3 PRO 2 1HB PRO 2 10.446 7.599 -2.123 17 HG2 PRO 2 2HG PRO 2 12.670 6.536 -3.109 18 HG3 PRO 2 1HG PRO 2 12.665 8.182 -2.448 19 HD2 PRO 2 2HD PRO 2 13.698 5.655 -1.190 20 HD3 PRO 2 1HD PRO 2 14.369 7.296 -1.148 21 H ARG 3 H ARG 3 9.226 7.711 1.098 22 HA ARG 3 HA ARG 3 9.159 5.103 2.383 23 HB2 ARG 3 2HB ARG 3 8.123 7.783 3.226 24 HB3 ARG 3 1HB ARG 3 7.696 6.289 4.040 25 HG2 ARG 3 2HG ARG 3 9.968 5.915 4.676 26 HG3 ARG 3 1HG ARG 3 10.517 7.271 3.687 27 HD2 ARG 3 2HD ARG 3 8.598 7.516 5.994 28 HD3 ARG 3 1HD ARG 3 10.335 7.792 6.118 29 HE ARG 3 HE ARG 3 9.909 9.476 4.263 30 HH11 ARG 3 1HH1 ARG 3 7.571 8.832 6.843 31 HH12 ARG 3 2HH1 ARG 3 6.927 10.394 6.859 32 HH21 ARG 3 1HH2 ARG 3 9.047 11.634 4.273 33 HH22 ARG 3 2HH2 ARG 3 7.811 12.062 5.366 34 H CYS 4 H CYS 4 7.292 4.013 2.560 35 HA CYS 4 HA CYS 4 5.228 4.405 0.608 36 HB2 CYS 4 2HB CYS 4 5.282 2.559 3.005 37 HB3 CYS 4 1HB CYS 4 4.245 2.417 1.589 38 H ASP 5 H ASP 5 5.717 4.716 4.039 39 HA ASP 5 HA ASP 5 4.910 5.996 5.632 40 HB2 ASP 5 2HB ASP 5 4.879 7.857 4.056 41 HB3 ASP 5 1HB ASP 5 3.310 7.350 3.449 42 H SER 6 H SER 6 3.434 3.645 4.301 43 HA SER 6 HA SER 6 1.368 3.588 6.280 44 HB2 SER 6 2HB SER 6 0.741 3.289 3.338 45 HB3 SER 6 1HB SER 6 -0.380 2.940 4.656 46 HG SER 6 HG SER 6 0.535 5.288 5.179 47 HA PRO 7 HA PRO 7 2.864 -0.579 6.201 48 HB2 PRO 7 2HB PRO 7 1.252 -1.559 8.158 49 HB3 PRO 7 1HB PRO 7 2.647 -0.533 8.495 50 HG2 PRO 7 2HG PRO 7 -0.250 0.144 8.491 51 HG3 PRO 7 1HG PRO 7 1.055 0.784 9.502 52 HD2 PRO 7 2HD PRO 7 -0.040 2.065 7.253 53 HD3 PRO 7 1HD PRO 7 1.524 2.441 8.016 54 H PHE 8 H PHE 8 -0.625 0.021 6.316 55 HA PHE 8 HA PHE 8 -1.005 -2.259 4.562 56 HB2 PHE 8 2HB PHE 8 -2.766 -1.320 6.825 57 HB3 PHE 8 1HB PHE 8 -3.302 -2.459 5.594 58 HD1 PHE 8 1HD PHE 8 -1.273 -1.998 8.582 59 HD2 PHE 8 2HD PHE 8 -2.302 -4.683 5.447 60 HE1 PHE 8 1HE PHE 8 -0.293 -3.852 9.856 61 HE2 PHE 8 2HE PHE 8 -1.325 -6.550 6.720 62 HZ PHE 8 HZ PHE 8 -0.318 -6.137 8.926 63 H CYS 9 H CYS 9 -3.230 -2.070 3.506 64 HA CYS 9 HA CYS 9 -4.068 0.500 2.636 65 HB2 CYS 9 2HB CYS 9 -1.863 0.356 1.554 66 HB3 CYS 9 1HB CYS 9 -2.252 -1.254 0.991 67 H SER 10 H SER 10 -5.557 -0.120 0.550 68 HA SER 10 HA SER 10 -6.486 -2.869 0.706 69 HB2 SER 10 2HB SER 10 -8.324 -0.505 1.164 70 HB3 SER 10 1HB SER 10 -8.795 -2.202 1.106 71 HG SER 10 HG SER 10 -6.831 -1.872 2.883 72 H LEU 11 H LEU 11 -8.054 -3.258 -1.105 73 HA LEU 11 HA LEU 11 -7.193 -1.927 -3.435 74 HB2 LEU 11 2HB LEU 11 -8.860 -3.285 -4.652 75 HB3 LEU 11 1HB LEU 11 -7.880 -4.225 -3.554 76 HG LEU 11 HG LEU 11 -9.917 -4.041 -1.948 77 HD11 LEU 11 1HD1 LEU 11 -12.071 -3.908 -3.059 78 HD12 LEU 11 2HD1 LEU 11 -11.271 -3.538 -4.583 79 HD13 LEU 11 3HD1 LEU 11 -11.174 -2.400 -3.239 80 HD21 LEU 11 1HD2 LEU 11 -10.013 -5.734 -4.430 81 HD22 LEU 11 2HD2 LEU 11 -10.885 -6.046 -2.927 82 HD23 LEU 11 3HD2 LEU 11 -9.123 -6.100 -2.952 83 H PHE 12 H PHE 12 -9.796 -1.390 -1.293 84 HA PHE 12 HA PHE 12 -11.192 0.502 -2.963 85 HB2 PHE 12 2HB PHE 12 -11.390 0.046 0.020 86 HB3 PHE 12 1HB PHE 12 -12.441 1.098 -0.903 87 HD1 PHE 12 1HD PHE 12 -13.882 0.031 -2.718 88 HD2 PHE 12 2HD PHE 12 -11.880 -2.198 0.303 89 HE1 PHE 12 1HE PHE 12 -15.417 -1.846 -3.079 90 HE2 PHE 12 2HE PHE 12 -13.409 -4.078 -0.071 91 HZ PHE 12 HZ PHE 12 -15.174 -3.907 -1.758 92 H ARG 13 H ARG 13 -8.625 0.604 -0.631 93 HA ARG 13 HA ARG 13 -8.516 3.529 -0.868 94 HB2 ARG 13 2HB ARG 13 -7.855 1.988 1.654 95 HB3 ARG 13 1HB ARG 13 -7.883 3.729 1.462 96 HG2 ARG 13 2HG ARG 13 -10.253 1.869 1.452 97 HG3 ARG 13 1HG ARG 13 -9.807 3.010 2.716 98 HD2 ARG 13 2HD ARG 13 -10.242 4.876 1.218 99 HD3 ARG 13 1HD ARG 13 -10.574 3.756 -0.107 100 HE ARG 13 HE ARG 13 -12.177 3.801 2.351 101 HH11 ARG 13 1HH1 ARG 13 -12.038 3.890 -1.212 102 HH12 ARG 13 2HH1 ARG 13 -13.725 3.787 -1.406 103 HH21 ARG 13 1HH2 ARG 13 -14.494 3.670 2.045 104 HH22 ARG 13 2HH2 ARG 13 -15.141 3.664 0.478 105 H ILE 14 H ILE 14 -7.010 3.340 -2.439 106 HA ILE 14 HA ILE 14 -4.517 1.930 -1.794 107 HB ILE 14 HB ILE 14 -3.920 2.351 -4.197 108 HG12 ILE 14 2HG1 ILE 14 -6.795 3.293 -4.377 109 HG13 ILE 14 1HG1 ILE 14 -5.370 4.309 -4.563 110 HG21 ILE 14 1HG2 ILE 14 -4.820 0.210 -3.508 111 HG22 ILE 14 2HG2 ILE 14 -5.431 0.638 -5.107 112 HG23 ILE 14 3HG2 ILE 14 -6.466 0.818 -3.692 113 HD11 ILE 14 1HD1 ILE 14 -4.760 3.053 -6.564 114 HD12 ILE 14 2HD1 ILE 14 -6.372 3.768 -6.696 115 HD13 ILE 14 3HD1 ILE 14 -6.195 2.041 -6.353 116 H GLY 15 H GLY 15 -5.789 4.835 -1.393 117 HA2 GLY 15 2HA GLY 15 -3.669 6.564 -2.250 118 HA3 GLY 15 1HA GLY 15 -5.039 7.002 -1.244 119 H LEU 16 H LEU 16 -3.962 4.495 0.384 120 HA LEU 16 HA LEU 16 -2.619 6.007 2.353 121 HB2 LEU 16 2HB LEU 16 -2.833 3.016 1.946 122 HB3 LEU 16 1HB LEU 16 -1.906 3.692 3.263 123 HG LEU 16 HG LEU 16 -4.015 2.971 4.098 124 HD11 LEU 16 1HD1 LEU 16 -3.981 5.971 3.942 125 HD12 LEU 16 2HD1 LEU 16 -3.120 4.965 5.103 126 HD13 LEU 16 3HD1 LEU 16 -4.881 5.002 5.104 127 HD21 LEU 16 1HD2 LEU 16 -5.309 4.769 2.050 128 HD22 LEU 16 2HD2 LEU 16 -6.155 3.899 3.330 129 HD23 LEU 16 3HD2 LEU 16 -5.332 3.005 2.051 130 H CYS 17 H CYS 17 -1.409 3.680 -0.000 131 HA CYS 17 HA CYS 17 1.324 4.058 0.592 132 HB2 CYS 17 2HB CYS 17 0.022 3.152 -1.986 133 HB3 CYS 17 1HB CYS 17 1.723 2.993 -1.587 134 H GLY 18 H GLY 18 2.604 5.729 0.124 135 HA2 GLY 18 2HA GLY 18 1.622 8.002 -1.266 136 HA3 GLY 18 1HA GLY 18 3.238 7.799 -0.621 137 H ASP 19 H ASP 19 1.628 5.826 -3.071 138 HA ASP 19 HA ASP 19 1.825 5.446 -5.251 139 HB2 ASP 19 2HB ASP 19 1.502 7.719 -5.553 140 HB3 ASP 19 1HB ASP 19 3.173 8.120 -5.191 141 H LYS 20 H LYS 20 4.565 6.012 -3.519 142 HA LYS 20 HA LYS 20 6.449 4.913 -5.484 143 HB2 LYS 20 2HB LYS 20 6.957 5.764 -2.638 144 HB3 LYS 20 1HB LYS 20 8.182 5.460 -3.871 145 HG2 LYS 20 2HG LYS 20 7.405 7.303 -5.188 146 HG3 LYS 20 1HG LYS 20 6.046 7.554 -4.098 147 HD2 LYS 20 2HD LYS 20 7.732 7.937 -2.294 148 HD3 LYS 20 1HD LYS 20 8.956 7.977 -3.567 149 HE2 LYS 20 2HE LYS 20 8.196 10.254 -3.010 150 HE3 LYS 20 1HE LYS 20 7.806 9.821 -4.671 151 HZ1 LYS 20 1HZ LYS 20 5.884 9.691 -2.398 152 HZ2 LYS 20 2HZ LYS 20 5.524 9.416 -4.027 153 HZ3 LYS 20 3HZ LYS 20 5.983 10.949 -3.515 154 H CYS 21 H CYS 21 4.296 3.648 -3.528 155 HA CYS 21 HA CYS 21 5.605 1.093 -3.374 156 HB2 CYS 21 2HB CYS 21 4.089 2.278 -1.028 157 HB3 CYS 21 1HB CYS 21 4.866 0.721 -1.120 158 H THR 22 H THR 22 3.922 -0.531 -3.222 159 HA THR 22 HA THR 22 1.305 0.487 -4.018 160 HB THR 22 HB THR 22 2.721 -1.882 -5.272 161 HG1 THR 22 1HG THR 22 3.792 0.011 -5.889 162 HG21 THR 22 1HG2 THR 22 0.249 -0.340 -6.072 163 HG22 THR 22 2HG2 THR 22 0.286 -1.941 -5.332 164 HG23 THR 22 3HG2 THR 22 0.950 -1.703 -6.953 165 H CYS 23 H CYS 23 -0.407 -0.914 -3.292 166 HA CYS 23 HA CYS 23 0.549 -2.800 -1.322 167 HB2 CYS 23 2HB CYS 23 -1.682 -2.629 -0.332 168 HB3 CYS 23 1HB CYS 23 -0.788 -1.108 -0.353 169 H VAL 24 H VAL 24 -0.188 -4.816 -1.174 170 HA VAL 24 HA VAL 24 -1.487 -5.875 -3.580 171 HB VAL 24 HB VAL 24 0.038 -7.383 -1.426 172 HG11 VAL 24 1HG1 VAL 24 -0.880 -8.255 -4.162 173 HG12 VAL 24 2HG1 VAL 24 -1.563 -8.764 -2.617 174 HG13 VAL 24 3HG1 VAL 24 0.086 -9.224 -3.046 175 HG21 VAL 24 1HG2 VAL 24 1.572 -5.883 -2.583 176 HG22 VAL 24 2HG2 VAL 24 1.021 -6.497 -4.141 177 HG23 VAL 24 3HG2 VAL 24 1.895 -7.558 -3.037 178 HA PRO 25 HA PRO 25 -4.747 -6.135 -0.415 179 HB2 PRO 25 2HB PRO 25 -6.660 -6.267 -2.567 180 HB3 PRO 25 1HB PRO 25 -6.379 -4.955 -1.418 181 HG2 PRO 25 2HG PRO 25 -5.812 -4.781 -4.108 182 HG3 PRO 25 1HG PRO 25 -5.018 -3.813 -2.858 183 HD2 PRO 25 2HD PRO 25 -4.049 -6.278 -4.251 184 HD3 PRO 25 1HD PRO 25 -3.161 -4.814 -3.763 185 H LEU 26 H LEU 26 -5.051 -7.995 0.501 186 HA LEU 26 HA LEU 26 -5.967 -10.132 -1.117 187 HB2 LEU 26 2HB LEU 26 -4.260 -11.691 0.127 188 HB3 LEU 26 1HB LEU 26 -3.841 -10.792 -1.312 189 HG LEU 26 HG LEU 26 -2.720 -9.083 0.147 190 HD11 LEU 26 1HD1 LEU 26 -2.052 -9.679 2.396 191 HD12 LEU 26 2HD1 LEU 26 -3.057 -11.126 2.322 192 HD13 LEU 26 3HD1 LEU 26 -3.804 -9.528 2.265 193 HD21 LEU 26 1HD2 LEU 26 -0.721 -10.439 0.530 194 HD22 LEU 26 2HD2 LEU 26 -1.447 -10.741 -1.047 195 HD23 LEU 26 3HD2 LEU 26 -1.672 -11.899 0.265 196 HA PRO 27 HA PRO 27 -7.733 -10.539 -1.419 197 HB2 PRO 27 2HB PRO 27 -10.466 -10.483 -0.469 198 HB3 PRO 27 1HB PRO 27 -9.637 -11.775 -1.337 199 HG2 PRO 27 2HG PRO 27 -10.433 -12.038 1.249 200 HG3 PRO 27 1HG PRO 27 -8.989 -12.839 0.605 201 HD2 PRO 27 2HD PRO 27 -9.188 -10.301 2.177 202 HD3 PRO 27 1HD PRO 27 -8.084 -11.676 2.406 203 H ILE 28 H ILE 28 -8.812 -8.575 1.243 204 HA ILE 28 HA ILE 28 -9.685 -6.433 -0.601 205 HB ILE 28 HB ILE 28 -10.464 -6.874 2.298 206 HG12 ILE 28 2HG1 ILE 28 -12.120 -7.129 -0.226 207 HG13 ILE 28 1HG1 ILE 28 -11.511 -8.473 0.728 208 HG21 ILE 28 1HG2 ILE 28 -12.046 -5.013 1.965 209 HG22 ILE 28 2HG2 ILE 28 -11.364 -4.741 0.360 210 HG23 ILE 28 3HG2 ILE 28 -10.365 -4.503 1.792 211 HD11 ILE 28 1HD1 ILE 28 -12.882 -7.736 2.619 212 HD12 ILE 28 2HD1 ILE 28 -13.852 -8.073 1.188 213 HD13 ILE 28 3HD1 ILE 28 -13.500 -6.406 1.640 214 H PHE 29 H PHE 29 -8.214 -6.921 2.592 215 HA PHE 29 HA PHE 29 -6.856 -4.363 2.429 216 HB2 PHE 29 2HB PHE 29 -6.877 -6.428 4.664 217 HB3 PHE 29 1HB PHE 29 -6.254 -4.793 4.757 218 HD1 PHE 29 1HD PHE 29 -7.777 -2.892 4.948 219 HD2 PHE 29 2HD PHE 29 -9.244 -6.886 4.798 220 HE1 PHE 29 1HE PHE 29 -9.956 -2.125 5.774 221 HE2 PHE 29 2HE PHE 29 -11.429 -6.118 5.616 222 HZ PHE 29 HZ PHE 29 -11.786 -3.732 6.105 223 H GLY 30 H GLY 30 -4.567 -4.323 2.568 224 HA2 GLY 30 2HA GLY 30 -3.128 -6.813 2.564 225 HA3 GLY 30 1HA GLY 30 -3.097 -5.936 1.037 226 H LEU 31 H LEU 31 -0.778 -6.250 2.045 227 HA LEU 31 HA LEU 31 -0.203 -3.962 3.716 228 HB2 LEU 31 2HB LEU 31 2.132 -4.884 3.773 229 HB3 LEU 31 1HB LEU 31 0.904 -5.886 4.502 230 HG LEU 31 HG LEU 31 0.934 -7.265 2.361 231 HD11 LEU 31 1HD1 LEU 31 3.489 -5.752 1.864 232 HD12 LEU 31 2HD1 LEU 31 2.028 -5.689 0.875 233 HD13 LEU 31 3HD1 LEU 31 2.948 -7.191 0.998 234 HD21 LEU 31 1HD2 LEU 31 2.895 -8.501 3.039 235 HD22 LEU 31 2HD2 LEU 31 1.935 -7.988 4.428 236 HD23 LEU 31 3HD2 LEU 31 3.429 -7.139 4.025 237 H CYS 32 H CYS 32 1.453 -2.485 3.149 238 HA CYS 32 HA CYS 32 1.421 -1.950 0.277 239 HB2 CYS 32 2HB CYS 32 0.666 -0.178 1.902 240 HB3 CYS 32 1HB CYS 32 2.308 -0.157 2.547 241 H VAL 33 H VAL 33 3.212 -2.451 -0.849 242 HA VAL 33 HA VAL 33 5.612 -2.895 0.735 243 HB VAL 33 HB VAL 33 4.728 -5.024 -0.143 244 HG11 VAL 33 1HG1 VAL 33 4.661 -5.527 -2.523 245 HG12 VAL 33 2HG1 VAL 33 5.099 -3.856 -2.870 246 HG13 VAL 33 3HG1 VAL 33 3.551 -4.214 -2.102 247 HG21 VAL 33 1HG2 VAL 33 6.738 -5.854 -1.312 248 HG22 VAL 33 2HG2 VAL 33 7.133 -4.872 0.097 249 HG23 VAL 33 3HG2 VAL 33 7.279 -4.187 -1.522 250 HA PRO 34 HA PRO 34 7.257 0.469 -1.558 251 HB2 PRO 34 2HB PRO 34 9.921 -0.110 -1.068 252 HB3 PRO 34 1HB PRO 34 8.876 0.851 -0.022 253 HG2 PRO 34 2HG PRO 34 9.703 -1.979 0.195 254 HG3 PRO 34 1HG PRO 34 9.390 -0.808 1.485 255 HD2 PRO 34 2HD PRO 34 7.664 -2.784 0.831 256 HD3 PRO 34 1HD PRO 34 7.121 -1.214 1.458 257 H ASP 35 H ASP 35 7.704 0.716 -3.593 258 HA ASP 35 HA ASP 35 8.617 -1.571 -5.129 259 HB2 ASP 35 2HB ASP 35 7.616 1.149 -5.972 260 HB3 ASP 35 1HB ASP 35 8.233 -0.039 -7.110 261 H VAL 36 H VAL 36 9.783 1.120 -3.606 262 HA VAL 36 HA VAL 36 12.047 1.599 -5.318 263 HB VAL 36 HB VAL 36 11.558 2.582 -2.485 264 HG11 VAL 36 1HG1 VAL 36 13.411 3.614 -4.631 265 HG12 VAL 36 2HG1 VAL 36 13.884 2.749 -3.171 266 HG13 VAL 36 3HG1 VAL 36 13.160 4.353 -3.050 267 HG21 VAL 36 1HG2 VAL 36 9.735 3.312 -3.922 268 HG22 VAL 36 2HG2 VAL 36 10.888 3.921 -5.105 269 HG23 VAL 36 3HG2 VAL 36 10.772 4.684 -3.523 Start of MODEL 17 1 H1 LEU 1 1HT LEU 1 13.963 0.272 6.755 2 H2 LEU 1 2HT LEU 1 13.238 0.443 5.203 3 H3 LEU 1 3HT LEU 1 12.332 -0.053 6.485 4 HA LEU 1 HA LEU 1 12.451 1.969 7.548 5 HB2 LEU 1 2HB LEU 1 13.542 3.933 6.616 6 HB3 LEU 1 1HB LEU 1 14.712 2.678 6.926 7 HG LEU 1 HG LEU 1 13.625 3.243 4.168 8 HD11 LEU 1 1HD1 LEU 1 15.692 4.516 3.821 9 HD12 LEU 1 2HD1 LEU 1 16.088 4.305 5.531 10 HD13 LEU 1 3HD1 LEU 1 14.673 5.243 5.064 11 HD21 LEU 1 1HD2 LEU 1 16.123 1.874 5.144 12 HD22 LEU 1 2HD2 LEU 1 15.629 2.050 3.453 13 HD23 LEU 1 3HD2 LEU 1 14.676 1.063 4.573 14 HA PRO 2 HA PRO 2 8.887 2.547 5.049 15 HB2 PRO 2 2HB PRO 2 7.864 4.751 6.259 16 HB3 PRO 2 1HB PRO 2 7.751 3.127 6.947 17 HG2 PRO 2 2HG PRO 2 9.663 5.326 7.574 18 HG3 PRO 2 1HG PRO 2 8.832 4.225 8.692 19 HD2 PRO 2 2HD PRO 2 11.413 3.892 7.965 20 HD3 PRO 2 1HD PRO 2 10.337 2.518 8.305 21 H ARG 3 H ARG 3 8.893 3.188 3.160 22 HA ARG 3 HA ARG 3 9.738 5.927 2.541 23 HB2 ARG 3 2HB ARG 3 9.880 3.439 0.856 24 HB3 ARG 3 1HB ARG 3 10.050 5.050 0.191 25 HG2 ARG 3 2HG ARG 3 11.841 3.864 2.304 26 HG3 ARG 3 1HG ARG 3 12.211 3.911 0.578 27 HD2 ARG 3 2HD ARG 3 12.048 6.387 0.656 28 HD3 ARG 3 1HD ARG 3 11.796 6.288 2.399 29 HE ARG 3 HE ARG 3 14.108 4.897 1.839 30 HH11 ARG 3 1HH1 ARG 3 13.012 8.245 1.554 31 HH12 ARG 3 2HH1 ARG 3 14.558 8.920 1.746 32 HH21 ARG 3 1HH2 ARG 3 16.237 5.831 2.120 33 HH22 ARG 3 2HH2 ARG 3 16.436 7.519 2.072 34 H CYS 4 H CYS 4 7.298 3.981 2.815 35 HA CYS 4 HA CYS 4 5.613 5.188 0.721 36 HB2 CYS 4 2HB CYS 4 4.872 2.872 2.507 37 HB3 CYS 4 1HB CYS 4 4.159 3.327 0.975 38 H ASP 5 H ASP 5 5.956 4.690 4.161 39 HA ASP 5 HA ASP 5 5.084 5.578 6.004 40 HB2 ASP 5 2HB ASP 5 4.502 7.860 4.124 41 HB3 ASP 5 1HB ASP 5 4.093 7.945 5.836 42 H SER 6 H SER 6 3.507 3.812 4.486 43 HA SER 6 HA SER 6 0.936 4.492 5.646 44 HB2 SER 6 2HB SER 6 1.381 3.275 2.908 45 HB3 SER 6 1HB SER 6 -0.190 3.450 3.693 46 HG SER 6 HG SER 6 0.795 5.193 2.155 47 HA PRO 7 HA PRO 7 2.045 0.649 7.599 48 HB2 PRO 7 2HB PRO 7 -0.205 0.401 9.127 49 HB3 PRO 7 1HB PRO 7 1.147 1.458 9.539 50 HG2 PRO 7 2HG PRO 7 -1.465 2.137 8.258 51 HG3 PRO 7 1HG PRO 7 -0.557 3.031 9.489 52 HD2 PRO 7 2HD PRO 7 -0.550 3.717 6.867 53 HD3 PRO 7 1HD PRO 7 0.846 3.993 7.933 54 H PHE 8 H PHE 8 -1.112 1.114 6.062 55 HA PHE 8 HA PHE 8 -0.970 -1.434 4.828 56 HB2 PHE 8 2HB PHE 8 -3.002 -2.412 5.778 57 HB3 PHE 8 1HB PHE 8 -1.830 -2.138 7.052 58 HD1 PHE 8 1HD PHE 8 -5.089 -1.223 5.708 59 HD2 PHE 8 2HD PHE 8 -2.238 -0.405 8.753 60 HE1 PHE 8 1HE PHE 8 -6.814 -0.010 6.991 61 HE2 PHE 8 2HE PHE 8 -3.952 0.811 10.031 62 HZ PHE 8 HZ PHE 8 -6.235 1.008 9.154 63 H CYS 9 H CYS 9 -2.702 -1.722 3.382 64 HA CYS 9 HA CYS 9 -4.311 0.676 2.773 65 HB2 CYS 9 2HB CYS 9 -3.025 -1.209 0.801 66 HB3 CYS 9 1HB CYS 9 -3.965 0.220 0.394 67 H SER 10 H SER 10 -6.053 -0.263 0.995 68 HA SER 10 HA SER 10 -6.744 -3.007 1.581 69 HB2 SER 10 2HB SER 10 -9.155 -2.274 1.895 70 HB3 SER 10 1HB SER 10 -8.082 -1.833 3.221 71 HG SER 10 HG SER 10 -8.512 0.136 2.862 72 H LEU 11 H LEU 11 -8.552 -3.653 0.021 73 HA LEU 11 HA LEU 11 -7.890 -3.318 -2.637 74 HB2 LEU 11 2HB LEU 11 -10.622 -3.826 -1.460 75 HB3 LEU 11 1HB LEU 11 -10.211 -4.055 -3.143 76 HG LEU 11 HG LEU 11 -8.888 -5.585 -0.908 77 HD11 LEU 11 1HD1 LEU 11 -11.243 -6.358 -2.644 78 HD12 LEU 11 2HD1 LEU 11 -11.296 -6.044 -0.909 79 HD13 LEU 11 3HD1 LEU 11 -10.396 -7.427 -1.527 80 HD21 LEU 11 1HD2 LEU 11 -7.658 -5.481 -3.027 81 HD22 LEU 11 2HD2 LEU 11 -9.084 -6.066 -3.880 82 HD23 LEU 11 3HD2 LEU 11 -8.266 -7.106 -2.715 83 H PHE 12 H PHE 12 -10.185 -1.515 -0.748 84 HA PHE 12 HA PHE 12 -11.063 0.087 -2.974 85 HB2 PHE 12 2HB PHE 12 -11.773 0.308 -0.047 86 HB3 PHE 12 1HB PHE 12 -12.615 1.069 -1.390 87 HD1 PHE 12 1HD PHE 12 -12.302 -1.900 0.633 88 HD2 PHE 12 2HD PHE 12 -13.768 -0.400 -3.079 89 HE1 PHE 12 1HE PHE 12 -13.725 -3.877 0.398 90 HE2 PHE 12 2HE PHE 12 -15.202 -2.382 -3.308 91 HZ PHE 12 HZ PHE 12 -15.183 -4.119 -1.578 92 H ARG 13 H ARG 13 -9.074 0.486 -0.080 93 HA ARG 13 HA ARG 13 -8.430 3.179 -1.010 94 HB2 ARG 13 2HB ARG 13 -8.384 2.016 1.775 95 HB3 ARG 13 1HB ARG 13 -7.437 3.432 1.368 96 HG2 ARG 13 2HG ARG 13 -9.474 4.123 2.432 97 HG3 ARG 13 1HG ARG 13 -9.534 4.604 0.742 98 HD2 ARG 13 2HD ARG 13 -11.683 3.744 1.431 99 HD3 ARG 13 1HD ARG 13 -10.946 2.641 0.276 100 HE ARG 13 HE ARG 13 -10.205 1.687 2.725 101 HH11 ARG 13 1HH1 ARG 13 -13.326 2.376 1.203 102 HH12 ARG 13 2HH1 ARG 13 -14.131 1.099 1.987 103 HH21 ARG 13 1HH2 ARG 13 -11.359 -0.065 3.798 104 HH22 ARG 13 2HH2 ARG 13 -13.012 -0.289 3.448 105 H ILE 14 H ILE 14 -7.000 2.577 -2.504 106 HA ILE 14 HA ILE 14 -4.492 1.392 -1.509 107 HB ILE 14 HB ILE 14 -3.917 1.122 -3.955 108 HG12 ILE 14 2HG1 ILE 14 -6.863 1.635 -4.343 109 HG13 ILE 14 1HG1 ILE 14 -5.578 2.749 -4.815 110 HG21 ILE 14 1HG2 ILE 14 -6.288 -0.421 -2.938 111 HG22 ILE 14 2HG2 ILE 14 -4.590 -0.783 -2.634 112 HG23 ILE 14 3HG2 ILE 14 -5.240 -0.914 -4.267 113 HD11 ILE 14 1HD1 ILE 14 -6.435 1.497 -6.702 114 HD12 ILE 14 2HD1 ILE 14 -6.028 -0.021 -5.888 115 HD13 ILE 14 3HD1 ILE 14 -4.746 1.093 -6.385 116 H GLY 15 H GLY 15 -5.897 4.228 -2.005 117 HA2 GLY 15 2HA GLY 15 -3.856 5.652 -3.423 118 HA3 GLY 15 1HA GLY 15 -5.252 6.344 -2.616 119 H LEU 16 H LEU 16 -3.824 4.399 -0.418 120 HA LEU 16 HA LEU 16 -2.702 6.453 1.157 121 HB2 LEU 16 2HB LEU 16 -2.374 3.451 1.282 122 HB3 LEU 16 1HB LEU 16 -1.577 4.519 2.408 123 HG LEU 16 HG LEU 16 -3.476 3.544 3.447 124 HD11 LEU 16 1HD1 LEU 16 -2.996 5.811 4.089 125 HD12 LEU 16 2HD1 LEU 16 -4.729 5.508 4.155 126 HD13 LEU 16 3HD1 LEU 16 -4.048 6.427 2.816 127 HD21 LEU 16 1HD2 LEU 16 -5.771 3.905 2.673 128 HD22 LEU 16 2HD2 LEU 16 -4.818 2.976 1.515 129 HD23 LEU 16 3HD2 LEU 16 -5.150 4.683 1.217 130 H CYS 17 H CYS 17 -1.431 4.456 -1.331 131 HA CYS 17 HA CYS 17 1.164 5.726 -0.939 132 HB2 CYS 17 2HB CYS 17 0.605 2.976 -2.044 133 HB3 CYS 17 1HB CYS 17 2.193 3.730 -1.921 134 H GLY 18 H GLY 18 0.724 7.413 -2.269 135 HA2 GLY 18 2HA GLY 18 -0.333 6.950 -4.919 136 HA3 GLY 18 1HA GLY 18 0.058 8.505 -4.206 137 H ASP 19 H ASP 19 1.296 5.713 -5.793 138 HA ASP 19 HA ASP 19 2.849 5.334 -7.312 139 HB2 ASP 19 2HB ASP 19 2.193 7.428 -8.253 140 HB3 ASP 19 1HB ASP 19 3.384 8.297 -7.289 141 H LYS 20 H LYS 20 3.644 6.872 -4.494 142 HA LYS 20 HA LYS 20 6.466 6.728 -4.436 143 HB2 LYS 20 2HB LYS 20 4.571 6.230 -2.152 144 HB3 LYS 20 1HB LYS 20 6.280 6.585 -2.003 145 HG2 LYS 20 2HG LYS 20 5.893 8.793 -2.967 146 HG3 LYS 20 1HG LYS 20 4.165 8.431 -3.083 147 HD2 LYS 20 2HD LYS 20 4.164 7.996 -0.670 148 HD3 LYS 20 1HD LYS 20 5.842 8.513 -0.603 149 HE2 LYS 20 2HE LYS 20 5.225 10.726 -1.414 150 HE3 LYS 20 1HE LYS 20 3.539 10.229 -1.521 151 HZ1 LYS 20 1HZ LYS 20 5.116 10.262 0.988 152 HZ2 LYS 20 2HZ LYS 20 3.463 9.951 0.847 153 HZ3 LYS 20 3HZ LYS 20 4.060 11.480 0.527 154 H CYS 21 H CYS 21 3.958 4.423 -3.759 155 HA CYS 21 HA CYS 21 5.693 2.179 -4.132 156 HB2 CYS 21 2HB CYS 21 4.113 2.533 -1.572 157 HB3 CYS 21 1HB CYS 21 5.071 1.136 -2.017 158 H THR 22 H THR 22 4.077 0.150 -3.753 159 HA THR 22 HA THR 22 1.444 0.939 -4.730 160 HB THR 22 HB THR 22 3.068 -1.510 -5.471 161 HG1 THR 22 1HG THR 22 3.882 -0.038 -6.782 162 HG21 THR 22 1HG2 THR 22 1.257 -1.968 -7.072 163 HG22 THR 22 2HG2 THR 22 0.374 -0.563 -6.476 164 HG23 THR 22 3HG2 THR 22 0.637 -1.950 -5.419 165 H CYS 23 H CYS 23 -0.220 0.162 -3.608 166 HA CYS 23 HA CYS 23 0.239 -1.480 -1.297 167 HB2 CYS 23 2HB CYS 23 -2.343 -0.483 -2.508 168 HB3 CYS 23 1HB CYS 23 -2.151 -1.224 -0.927 169 H VAL 24 H VAL 24 0.026 -3.600 -1.245 170 HA VAL 24 HA VAL 24 -1.269 -4.984 -3.498 171 HB VAL 24 HB VAL 24 0.899 -6.008 -1.625 172 HG11 VAL 24 1HG1 VAL 24 -0.584 -7.795 -2.359 173 HG12 VAL 24 2HG1 VAL 24 1.004 -7.959 -3.108 174 HG13 VAL 24 3HG1 VAL 24 -0.350 -7.313 -4.037 175 HG21 VAL 24 1HG2 VAL 24 1.076 -5.229 -4.537 176 HG22 VAL 24 2HG2 VAL 24 2.369 -5.974 -3.599 177 HG23 VAL 24 3HG2 VAL 24 1.791 -4.361 -3.180 178 HA PRO 25 HA PRO 25 -3.988 -5.783 0.143 179 HB2 PRO 25 2HB PRO 25 -6.026 -6.236 -1.880 180 HB3 PRO 25 1HB PRO 25 -5.981 -5.009 -0.613 181 HG2 PRO 25 2HG PRO 25 -5.723 -4.345 -3.205 182 HG3 PRO 25 1HG PRO 25 -4.836 -3.491 -1.933 183 HD2 PRO 25 2HD PRO 25 -3.870 -5.682 -3.750 184 HD3 PRO 25 1HD PRO 25 -3.096 -4.130 -3.333 185 H LEU 26 H LEU 26 -4.140 -7.696 1.100 186 HA LEU 26 HA LEU 26 -4.953 -9.963 -0.406 187 HB2 LEU 26 2HB LEU 26 -3.075 -11.409 0.106 188 HB3 LEU 26 1HB LEU 26 -2.537 -10.034 -0.818 189 HG LEU 26 HG LEU 26 -2.140 -10.349 2.166 190 HD11 LEU 26 1HD1 LEU 26 -0.218 -10.866 -0.104 191 HD12 LEU 26 2HD1 LEU 26 -0.926 -12.081 0.962 192 HD13 LEU 26 3HD1 LEU 26 0.197 -10.886 1.609 193 HD21 LEU 26 1HD2 LEU 26 -0.462 -8.588 1.917 194 HD22 LEU 26 2HD2 LEU 26 -2.060 -8.030 1.421 195 HD23 LEU 26 3HD2 LEU 26 -0.858 -8.448 0.203 196 HA PRO 27 HA PRO 27 -6.612 -10.798 -0.273 197 HB2 PRO 27 2HB PRO 27 -9.068 -11.140 1.253 198 HB3 PRO 27 1HB PRO 27 -8.231 -12.320 0.240 199 HG2 PRO 27 2HG PRO 27 -8.370 -12.587 2.920 200 HG3 PRO 27 1HG PRO 27 -6.947 -13.105 1.999 201 HD2 PRO 27 2HD PRO 27 -7.390 -10.560 3.506 202 HD3 PRO 27 1HD PRO 27 -5.986 -11.653 3.573 203 H ILE 28 H ILE 28 -7.637 -8.819 2.466 204 HA ILE 28 HA ILE 28 -8.982 -6.995 0.584 205 HB ILE 28 HB ILE 28 -9.404 -7.195 3.586 206 HG12 ILE 28 2HG1 ILE 28 -11.232 -7.932 1.286 207 HG13 ILE 28 1HG1 ILE 28 -10.432 -9.059 2.378 208 HG21 ILE 28 1HG2 ILE 28 -10.760 -5.409 1.559 209 HG22 ILE 28 2HG2 ILE 28 -9.637 -4.894 2.817 210 HG23 ILE 28 3HG2 ILE 28 -11.212 -5.556 3.257 211 HD11 ILE 28 1HD1 ILE 28 -11.732 -8.149 4.243 212 HD12 ILE 28 2HD1 ILE 28 -12.770 -8.785 2.967 213 HD13 ILE 28 3HD1 ILE 28 -12.538 -7.043 3.129 214 H PHE 29 H PHE 29 -7.104 -7.004 3.580 215 HA PHE 29 HA PHE 29 -6.214 -4.321 3.038 216 HB2 PHE 29 2HB PHE 29 -5.756 -6.153 5.394 217 HB3 PHE 29 1HB PHE 29 -5.061 -4.540 5.254 218 HD1 PHE 29 1HD PHE 29 -6.518 -2.578 5.204 219 HD2 PHE 29 2HD PHE 29 -8.041 -6.459 5.990 220 HE1 PHE 29 1HE PHE 29 -8.576 -1.581 6.116 221 HE2 PHE 29 2HE PHE 29 -10.096 -5.477 6.892 222 HZ PHE 29 HZ PHE 29 -10.368 -3.042 6.957 223 H GLY 30 H GLY 30 -4.114 -3.757 2.777 224 HA2 GLY 30 2HA GLY 30 -2.423 -5.998 1.915 225 HA3 GLY 30 1HA GLY 30 -2.720 -4.620 0.876 226 H LEU 31 H LEU 31 -0.336 -5.408 1.386 227 HA LEU 31 HA LEU 31 0.872 -3.681 3.401 228 HB2 LEU 31 2HB LEU 31 2.169 -5.470 1.341 229 HB3 LEU 31 1HB LEU 31 2.932 -4.760 2.745 230 HG LEU 31 HG LEU 31 0.848 -6.940 2.768 231 HD11 LEU 31 1HD1 LEU 31 2.669 -8.348 3.579 232 HD12 LEU 31 2HD1 LEU 31 3.793 -7.003 3.393 233 HD13 LEU 31 3HD1 LEU 31 3.014 -7.703 1.974 234 HD21 LEU 31 1HD2 LEU 31 1.323 -7.077 5.159 235 HD22 LEU 31 2HD2 LEU 31 0.641 -5.508 4.719 236 HD23 LEU 31 3HD2 LEU 31 2.372 -5.666 5.026 237 H CYS 32 H CYS 32 2.540 -2.165 2.596 238 HA CYS 32 HA CYS 32 2.038 -1.424 -0.173 239 HB2 CYS 32 2HB CYS 32 1.175 0.300 1.395 240 HB3 CYS 32 1HB CYS 32 2.793 0.453 2.085 241 H VAL 33 H VAL 33 3.690 -1.726 -1.429 242 HA VAL 33 HA VAL 33 6.360 -1.710 -0.246 243 HB VAL 33 HB VAL 33 5.570 -4.038 -0.482 244 HG11 VAL 33 1HG1 VAL 33 5.305 -3.431 -3.407 245 HG12 VAL 33 2HG1 VAL 33 4.011 -3.844 -2.279 246 HG13 VAL 33 3HG1 VAL 33 5.243 -5.040 -2.694 247 HG21 VAL 33 1HG2 VAL 33 7.766 -3.330 -2.424 248 HG22 VAL 33 2HG2 VAL 33 7.452 -4.949 -1.799 249 HG23 VAL 33 3HG2 VAL 33 7.953 -3.662 -0.702 250 HA PRO 34 HA PRO 34 7.073 0.911 -3.777 251 HB2 PRO 34 2HB PRO 34 9.768 1.129 -3.547 252 HB3 PRO 34 1HB PRO 34 8.637 2.032 -2.537 253 HG2 PRO 34 2HG PRO 34 10.216 -0.410 -1.900 254 HG3 PRO 34 1HG PRO 34 9.798 0.957 -0.859 255 HD2 PRO 34 2HD PRO 34 8.529 -1.476 -0.805 256 HD3 PRO 34 1HD PRO 34 7.785 0.049 -0.285 257 H ASP 35 H ASP 35 7.365 0.510 -5.861 258 HA ASP 35 HA ASP 35 8.318 -2.039 -6.795 259 HB2 ASP 35 2HB ASP 35 7.671 0.501 -8.328 260 HB3 ASP 35 1HB ASP 35 7.994 -1.062 -9.056 261 H VAL 36 H VAL 36 9.333 1.281 -6.830 262 HA VAL 36 HA VAL 36 12.072 0.457 -7.260 263 HB VAL 36 HB VAL 36 12.439 2.593 -8.596 264 HG11 VAL 36 1HG1 VAL 36 11.550 1.694 -10.700 265 HG12 VAL 36 2HG1 VAL 36 10.534 0.580 -9.785 266 HG13 VAL 36 3HG1 VAL 36 12.289 0.434 -9.712 267 HG21 VAL 36 1HG2 VAL 36 10.485 3.621 -9.695 268 HG22 VAL 36 2HG2 VAL 36 10.427 3.817 -7.942 269 HG23 VAL 36 3HG2 VAL 36 9.416 2.602 -8.724 Start of MODEL 18 1 H1 LEU 1 1HT LEU 1 15.319 1.719 -0.876 2 H2 LEU 1 2HT LEU 1 15.436 2.393 0.672 3 H3 LEU 1 3HT LEU 1 15.115 3.384 -0.639 4 HA LEU 1 HA LEU 1 12.999 2.324 -0.940 5 HB2 LEU 1 2HB LEU 1 13.866 0.835 1.540 6 HB3 LEU 1 1HB LEU 1 12.184 1.035 1.136 7 HG LEU 1 HG LEU 1 12.571 -0.271 -0.962 8 HD11 LEU 1 1HD1 LEU 1 14.608 -1.626 -1.144 9 HD12 LEU 1 2HD1 LEU 1 15.323 -0.699 0.177 10 HD13 LEU 1 3HD1 LEU 1 14.905 0.095 -1.343 11 HD21 LEU 1 1HD2 LEU 1 11.723 -1.350 1.055 12 HD22 LEU 1 2HD2 LEU 1 13.374 -1.658 1.581 13 HD23 LEU 1 3HD2 LEU 1 12.755 -2.434 0.125 14 HA PRO 2 HA PRO 2 12.119 5.938 1.688 15 HB2 PRO 2 2HB PRO 2 9.549 5.991 0.349 16 HB3 PRO 2 1HB PRO 2 10.866 7.155 0.223 17 HG2 PRO 2 2HG PRO 2 10.105 5.551 -1.831 18 HG3 PRO 2 1HG PRO 2 11.761 6.141 -1.617 19 HD2 PRO 2 2HD PRO 2 10.611 3.458 -0.983 20 HD3 PRO 2 1HD PRO 2 12.187 3.913 -1.679 21 H ARG 3 H ARG 3 10.276 6.587 2.950 22 HA ARG 3 HA ARG 3 9.252 4.312 4.454 23 HB2 ARG 3 2HB ARG 3 9.121 7.274 4.976 24 HB3 ARG 3 1HB ARG 3 8.685 5.990 6.089 25 HG2 ARG 3 2HG ARG 3 10.942 5.296 6.313 26 HG3 ARG 3 1HG ARG 3 11.453 6.357 4.997 27 HD2 ARG 3 2HD ARG 3 10.323 7.224 7.652 28 HD3 ARG 3 1HD ARG 3 12.010 7.337 7.152 29 HE ARG 3 HE ARG 3 9.869 8.743 5.704 30 HH11 ARG 3 1HH1 ARG 3 12.966 8.856 7.411 31 HH12 ARG 3 2HH1 ARG 3 13.287 10.472 7.002 32 HH21 ARG 3 1HH2 ARG 3 10.274 10.920 5.161 33 HH22 ARG 3 2HH2 ARG 3 11.691 11.707 5.673 34 H CYS 4 H CYS 4 7.320 3.594 3.700 35 HA CYS 4 HA CYS 4 5.676 5.135 2.011 36 HB2 CYS 4 2HB CYS 4 4.940 2.636 3.535 37 HB3 CYS 4 1HB CYS 4 4.093 3.300 2.144 38 H ASP 5 H ASP 5 5.655 4.559 5.477 39 HA ASP 5 HA ASP 5 4.463 5.391 7.212 40 HB2 ASP 5 2HB ASP 5 5.134 7.605 6.242 41 HB3 ASP 5 1HB ASP 5 3.693 7.593 5.241 42 H SER 6 H SER 6 3.327 3.613 5.187 43 HA SER 6 HA SER 6 0.460 4.104 5.451 44 HB2 SER 6 2HB SER 6 1.885 2.065 3.757 45 HB3 SER 6 1HB SER 6 0.215 2.614 3.598 46 HG SER 6 HG SER 6 0.877 4.349 2.571 47 HA PRO 7 HA PRO 7 0.949 0.845 8.574 48 HB2 PRO 7 2HB PRO 7 -1.637 0.955 9.489 49 HB3 PRO 7 1HB PRO 7 -0.355 2.027 10.049 50 HG2 PRO 7 2HG PRO 7 -2.541 2.556 8.093 51 HG3 PRO 7 1HG PRO 7 -1.805 3.646 9.275 52 HD2 PRO 7 2HD PRO 7 -1.245 3.669 6.600 53 HD3 PRO 7 1HD PRO 7 -0.120 4.239 7.846 54 H PHE 8 H PHE 8 -1.702 1.115 6.257 55 HA PHE 8 HA PHE 8 -1.600 -1.717 5.706 56 HB2 PHE 8 2HB PHE 8 -4.017 -2.035 6.030 57 HB3 PHE 8 1HB PHE 8 -3.278 -1.548 7.548 58 HD1 PHE 8 1HD PHE 8 -3.661 0.766 8.408 59 HD2 PHE 8 2HD PHE 8 -5.693 -0.699 4.959 60 HE1 PHE 8 1HE PHE 8 -5.300 2.591 8.593 61 HE2 PHE 8 2HE PHE 8 -7.323 1.124 5.145 62 HZ PHE 8 HZ PHE 8 -7.126 2.771 6.959 63 H CYS 9 H CYS 9 -3.403 -2.047 3.886 64 HA CYS 9 HA CYS 9 -4.192 0.278 2.462 65 HB2 CYS 9 2HB CYS 9 -1.784 -0.144 1.738 66 HB3 CYS 9 1HB CYS 9 -2.339 -1.682 1.077 67 H SER 10 H SER 10 -5.564 -0.502 0.600 68 HA SER 10 HA SER 10 -6.420 -3.274 0.686 69 HB2 SER 10 2HB SER 10 -8.339 -1.042 1.437 70 HB3 SER 10 1HB SER 10 -8.739 -2.750 1.268 71 HG SER 10 HG SER 10 -6.717 -2.576 2.914 72 H LEU 11 H LEU 11 -8.271 -3.516 -1.050 73 HA LEU 11 HA LEU 11 -7.442 -1.992 -3.286 74 HB2 LEU 11 2HB LEU 11 -9.060 -3.192 -4.637 75 HB3 LEU 11 1HB LEU 11 -8.193 -4.295 -3.595 76 HG LEU 11 HG LEU 11 -10.931 -3.317 -2.869 77 HD11 LEU 11 1HD1 LEU 11 -11.823 -5.356 -3.944 78 HD12 LEU 11 2HD1 LEU 11 -10.211 -5.730 -4.555 79 HD13 LEU 11 3HD1 LEU 11 -11.061 -4.295 -5.129 80 HD21 LEU 11 1HD2 LEU 11 -9.808 -4.461 -1.087 81 HD22 LEU 11 2HD2 LEU 11 -9.309 -5.746 -2.185 82 HD23 LEU 11 3HD2 LEU 11 -11.010 -5.556 -1.769 83 H PHE 12 H PHE 12 -9.849 -1.631 -0.957 84 HA PHE 12 HA PHE 12 -11.351 0.369 -2.437 85 HB2 PHE 12 2HB PHE 12 -11.579 -0.453 0.468 86 HB3 PHE 12 1HB PHE 12 -12.721 0.551 -0.414 87 HD1 PHE 12 1HD PHE 12 -11.814 -2.769 0.521 88 HD2 PHE 12 2HD PHE 12 -13.939 -0.512 -2.396 89 HE1 PHE 12 1HE PHE 12 -13.056 -4.784 -0.135 90 HE2 PHE 12 2HE PHE 12 -15.183 -2.527 -3.046 91 HZ PHE 12 HZ PHE 12 -14.738 -4.666 -1.915 92 H ARG 13 H ARG 13 -8.562 0.224 -0.585 93 HA ARG 13 HA ARG 13 -8.523 3.116 -0.231 94 HB2 ARG 13 2HB ARG 13 -7.700 1.126 1.913 95 HB3 ARG 13 1HB ARG 13 -7.382 2.846 1.969 96 HG2 ARG 13 2HG ARG 13 -10.106 1.562 2.003 97 HG3 ARG 13 1HG ARG 13 -9.245 2.200 3.406 98 HD2 ARG 13 2HD ARG 13 -10.221 3.766 1.013 99 HD3 ARG 13 1HD ARG 13 -10.893 3.794 2.642 100 HE ARG 13 HE ARG 13 -8.336 4.533 3.053 101 HH11 ARG 13 1HH1 ARG 13 -10.899 5.769 0.951 102 HH12 ARG 13 2HH1 ARG 13 -10.256 7.327 0.827 103 HH21 ARG 13 1HH2 ARG 13 -7.437 6.663 2.910 104 HH22 ARG 13 2HH2 ARG 13 -8.242 7.874 2.012 105 H ILE 14 H ILE 14 -7.250 2.944 -2.135 106 HA ILE 14 HA ILE 14 -4.650 1.605 -1.814 107 HB ILE 14 HB ILE 14 -4.397 1.990 -4.298 108 HG12 ILE 14 2HG1 ILE 14 -7.337 2.680 -4.097 109 HG13 ILE 14 1HG1 ILE 14 -6.041 3.774 -4.559 110 HG21 ILE 14 1HG2 ILE 14 -5.826 0.106 -4.945 111 HG22 ILE 14 2HG2 ILE 14 -6.661 0.230 -3.397 112 HG23 ILE 14 3HG2 ILE 14 -4.949 -0.191 -3.443 113 HD11 ILE 14 1HD1 ILE 14 -7.286 3.031 -6.486 114 HD12 ILE 14 2HD1 ILE 14 -6.949 1.346 -6.083 115 HD13 ILE 14 3HD1 ILE 14 -5.632 2.421 -6.556 116 H GLY 15 H GLY 15 -6.018 4.535 -1.473 117 HA2 GLY 15 2HA GLY 15 -4.021 6.223 -2.622 118 HA3 GLY 15 1HA GLY 15 -5.277 6.710 -1.491 119 H LEU 16 H LEU 16 -3.866 4.186 -0.086 120 HA LEU 16 HA LEU 16 -2.428 5.675 1.851 121 HB2 LEU 16 2HB LEU 16 -2.640 2.731 1.279 122 HB3 LEU 16 1HB LEU 16 -1.516 3.327 2.471 123 HG LEU 16 HG LEU 16 -3.521 2.479 3.520 124 HD11 LEU 16 1HD1 LEU 16 -3.329 5.464 3.749 125 HD12 LEU 16 2HD1 LEU 16 -2.381 4.268 4.630 126 HD13 LEU 16 3HD1 LEU 16 -4.119 4.385 4.899 127 HD21 LEU 16 1HD2 LEU 16 -5.690 3.563 3.247 128 HD22 LEU 16 2HD2 LEU 16 -5.128 2.855 1.731 129 HD23 LEU 16 3HD2 LEU 16 -5.021 4.596 1.984 130 H CYS 17 H CYS 17 -1.570 4.198 -1.143 131 HA CYS 17 HA CYS 17 1.266 4.773 -0.632 132 HB2 CYS 17 2HB CYS 17 0.287 2.866 -2.746 133 HB3 CYS 17 1HB CYS 17 1.851 2.985 -2.001 134 H GLY 18 H GLY 18 2.136 6.322 -1.968 135 HA2 GLY 18 2HA GLY 18 0.673 6.944 -4.417 136 HA3 GLY 18 1HA GLY 18 0.990 8.217 -3.250 137 H ASP 19 H ASP 19 2.215 6.327 -5.777 138 HA ASP 19 HA ASP 19 3.749 6.695 -7.294 139 HB2 ASP 19 2HB ASP 19 3.421 8.964 -7.041 140 HB3 ASP 19 1HB ASP 19 4.470 9.087 -5.634 141 H LYS 20 H LYS 20 4.690 6.520 -4.109 142 HA LYS 20 HA LYS 20 7.381 5.599 -4.916 143 HB2 LYS 20 2HB LYS 20 6.471 6.245 -2.121 144 HB3 LYS 20 1HB LYS 20 8.108 5.901 -2.647 145 HG2 LYS 20 2HG LYS 20 8.043 7.914 -4.071 146 HG3 LYS 20 1HG LYS 20 6.443 8.273 -3.428 147 HD2 LYS 20 2HD LYS 20 7.365 8.275 -1.187 148 HD3 LYS 20 1HD LYS 20 8.988 8.048 -1.839 149 HE2 LYS 20 2HE LYS 20 7.160 10.414 -2.314 150 HE3 LYS 20 1HE LYS 20 8.624 10.401 -1.342 151 HZ1 LYS 20 1HZ LYS 20 9.888 9.901 -3.384 152 HZ2 LYS 20 2HZ LYS 20 9.078 11.356 -3.490 153 HZ3 LYS 20 3HZ LYS 20 8.471 10.019 -4.286 154 H CYS 21 H CYS 21 4.581 4.593 -2.991 155 HA CYS 21 HA CYS 21 5.798 1.956 -2.885 156 HB2 CYS 21 2HB CYS 21 3.857 3.207 -0.937 157 HB3 CYS 21 1HB CYS 21 4.572 1.614 -0.824 158 H THR 22 H THR 22 4.232 0.219 -2.854 159 HA THR 22 HA THR 22 1.689 0.827 -4.132 160 HB THR 22 HB THR 22 3.676 -1.283 -5.057 161 HG1 THR 22 1HG THR 22 3.359 1.359 -5.715 162 HG21 THR 22 1HG2 THR 22 1.332 -1.903 -5.414 163 HG22 THR 22 2HG2 THR 22 2.136 -1.565 -6.951 164 HG23 THR 22 3HG2 THR 22 1.045 -0.371 -6.242 165 H CYS 23 H CYS 23 0.076 -0.749 -3.441 166 HA CYS 23 HA CYS 23 1.116 -2.578 -1.413 167 HB2 CYS 23 2HB CYS 23 -1.027 -2.442 -0.279 168 HB3 CYS 23 1HB CYS 23 -0.308 -0.844 -0.420 169 H VAL 24 H VAL 24 0.009 -4.525 -1.145 170 HA VAL 24 HA VAL 24 -1.409 -5.371 -3.534 171 HB VAL 24 HB VAL 24 0.736 -6.489 -3.537 172 HG11 VAL 24 1HG1 VAL 24 0.154 -7.381 -0.719 173 HG12 VAL 24 2HG1 VAL 24 1.410 -6.252 -1.229 174 HG13 VAL 24 3HG1 VAL 24 1.496 -7.947 -1.711 175 HG21 VAL 24 1HG2 VAL 24 -1.123 -7.857 -4.249 176 HG22 VAL 24 2HG2 VAL 24 -1.425 -8.359 -2.585 177 HG23 VAL 24 3HG2 VAL 24 0.061 -8.853 -3.397 178 HA PRO 25 HA PRO 25 -4.435 -6.086 -0.246 179 HB2 PRO 25 2HB PRO 25 -6.402 -6.078 -2.384 180 HB3 PRO 25 1HB PRO 25 -6.209 -4.911 -1.076 181 HG2 PRO 25 2HG PRO 25 -5.716 -4.299 -3.676 182 HG3 PRO 25 1HG PRO 25 -4.863 -3.532 -2.329 183 HD2 PRO 25 2HD PRO 25 -3.963 -5.775 -4.102 184 HD3 PRO 25 1HD PRO 25 -3.068 -4.344 -3.525 185 H LEU 26 H LEU 26 -4.503 -8.189 0.371 186 HA LEU 26 HA LEU 26 -5.364 -10.069 -1.633 187 HB2 LEU 26 2HB LEU 26 -3.738 -11.767 -1.004 188 HB3 LEU 26 1HB LEU 26 -2.974 -10.336 -1.636 189 HG LEU 26 HG LEU 26 -3.095 -11.013 1.310 190 HD11 LEU 26 1HD1 LEU 26 -0.943 -11.532 -0.735 191 HD12 LEU 26 2HD1 LEU 26 -1.890 -12.752 0.122 192 HD13 LEU 26 3HD1 LEU 26 -0.745 -11.740 1.000 193 HD21 LEU 26 1HD2 LEU 26 -1.331 -9.107 -0.235 194 HD22 LEU 26 2HD2 LEU 26 -1.231 -9.433 1.494 195 HD23 LEU 26 3HD2 LEU 26 -2.660 -8.645 0.825 196 HA PRO 27 HA PRO 27 -7.124 -10.362 -1.995 197 HB2 PRO 27 2HB PRO 27 -9.844 -10.824 -1.162 198 HB3 PRO 27 1HB PRO 27 -8.848 -11.818 -2.225 199 HG2 PRO 27 2HG PRO 27 -9.663 -12.669 0.219 200 HG3 PRO 27 1HG PRO 27 -8.125 -13.168 -0.505 201 HD2 PRO 27 2HD PRO 27 -8.644 -10.984 1.482 202 HD3 PRO 27 1HD PRO 27 -7.414 -12.275 1.552 203 H ILE 28 H ILE 28 -8.266 -9.062 1.040 204 HA ILE 28 HA ILE 28 -9.469 -6.785 -0.384 205 HB ILE 28 HB ILE 28 -9.935 -7.596 2.503 206 HG12 ILE 28 2HG1 ILE 28 -10.937 -9.228 0.961 207 HG13 ILE 28 1HG1 ILE 28 -12.178 -8.301 1.792 208 HG21 ILE 28 1HG2 ILE 28 -11.766 -5.941 2.449 209 HG22 ILE 28 2HG2 ILE 28 -11.243 -5.465 0.826 210 HG23 ILE 28 3HG2 ILE 28 -10.176 -5.216 2.198 211 HD11 ILE 28 1HD1 ILE 28 -11.241 -7.888 -1.044 212 HD12 ILE 28 2HD1 ILE 28 -12.481 -6.937 -0.223 213 HD13 ILE 28 3HD1 ILE 28 -12.745 -8.652 -0.536 214 H PHE 29 H PHE 29 -7.724 -7.498 2.599 215 HA PHE 29 HA PHE 29 -6.576 -4.820 2.583 216 HB2 PHE 29 2HB PHE 29 -6.594 -7.005 4.684 217 HB3 PHE 29 1HB PHE 29 -5.745 -5.481 4.861 218 HD1 PHE 29 1HD PHE 29 -6.934 -3.452 5.348 219 HD2 PHE 29 2HD PHE 29 -9.045 -7.101 4.765 220 HE1 PHE 29 1HE PHE 29 -8.954 -2.435 6.314 221 HE2 PHE 29 2HE PHE 29 -11.065 -6.083 5.725 222 HZ PHE 29 HZ PHE 29 -11.024 -3.751 6.499 223 H GLY 30 H GLY 30 -4.259 -4.576 2.849 224 HA2 GLY 30 2HA GLY 30 -2.586 -6.888 2.618 225 HA3 GLY 30 1HA GLY 30 -2.652 -5.884 1.181 226 H LEU 31 H LEU 31 -0.288 -5.886 2.018 227 HA LEU 31 HA LEU 31 0.055 -3.582 3.802 228 HB2 LEU 31 2HB LEU 31 2.051 -5.696 2.976 229 HB3 LEU 31 1HB LEU 31 2.414 -4.324 3.998 230 HG LEU 31 HG LEU 31 0.529 -6.579 4.686 231 HD11 LEU 31 1HD1 LEU 31 2.863 -7.271 4.698 232 HD12 LEU 31 2HD1 LEU 31 2.219 -7.194 6.336 233 HD13 LEU 31 3HD1 LEU 31 3.270 -5.908 5.744 234 HD21 LEU 31 1HD2 LEU 31 0.487 -5.567 6.930 235 HD22 LEU 31 2HD2 LEU 31 -0.195 -4.492 5.715 236 HD23 LEU 31 3HD2 LEU 31 1.436 -4.207 6.326 237 H CYS 32 H CYS 32 1.646 -2.015 3.205 238 HA CYS 32 HA CYS 32 1.745 -1.629 0.306 239 HB2 CYS 32 2HB CYS 32 0.600 0.105 1.713 240 HB3 CYS 32 1HB CYS 32 2.130 0.377 2.536 241 H VAL 33 H VAL 33 3.697 -1.577 -0.693 242 HA VAL 33 HA VAL 33 6.062 -1.662 1.014 243 HB VAL 33 HB VAL 33 5.530 -3.960 0.348 244 HG11 VAL 33 1HG1 VAL 33 4.220 -3.568 -1.641 245 HG12 VAL 33 2HG1 VAL 33 5.536 -4.692 -1.992 246 HG13 VAL 33 3HG1 VAL 33 5.653 -3.008 -2.504 247 HG21 VAL 33 1HG2 VAL 33 7.900 -2.889 -1.173 248 HG22 VAL 33 2HG2 VAL 33 7.612 -4.588 -0.810 249 HG23 VAL 33 3HG2 VAL 33 7.888 -3.443 0.503 250 HA PRO 34 HA PRO 34 7.500 1.490 -1.831 251 HB2 PRO 34 2HB PRO 34 10.189 1.251 -1.281 252 HB3 PRO 34 1HB PRO 34 9.058 2.163 -0.271 253 HG2 PRO 34 2HG PRO 34 10.115 -0.601 0.081 254 HG3 PRO 34 1HG PRO 34 9.865 0.661 1.306 255 HD2 PRO 34 2HD PRO 34 8.169 -1.396 0.991 256 HD3 PRO 34 1HD PRO 34 7.600 0.220 1.453 257 H ASP 35 H ASP 35 7.514 1.029 -3.908 258 HA ASP 35 HA ASP 35 9.011 -1.349 -4.805 259 HB2 ASP 35 2HB ASP 35 6.536 -1.542 -5.005 260 HB3 ASP 35 1HB ASP 35 6.569 -0.123 -6.052 261 H VAL 36 H VAL 36 8.620 2.039 -5.143 262 HA VAL 36 HA VAL 36 10.108 1.971 -7.615 263 HB VAL 36 HB VAL 36 8.683 4.327 -6.327 264 HG11 VAL 36 1HG1 VAL 36 9.996 4.082 -9.037 265 HG12 VAL 36 2HG1 VAL 36 10.585 5.042 -7.679 266 HG13 VAL 36 3HG1 VAL 36 9.066 5.469 -8.471 267 HG21 VAL 36 1HG2 VAL 36 7.908 2.644 -8.715 268 HG22 VAL 36 2HG2 VAL 36 7.055 4.083 -8.154 269 HG23 VAL 36 3HG2 VAL 36 7.114 2.641 -7.140 Start of MODEL 19 1 H1 LEU 1 1HT LEU 1 7.641 -1.289 6.896 2 H2 LEU 1 2HT LEU 1 8.794 -2.134 6.095 3 H3 LEU 1 3HT LEU 1 7.297 -2.865 6.343 4 HA LEU 1 HA LEU 1 7.473 -2.123 4.061 5 HB2 LEU 1 2HB LEU 1 5.888 -0.130 5.706 6 HB3 LEU 1 1HB LEU 1 5.824 -0.192 3.968 7 HG LEU 1 HG LEU 1 4.890 -2.552 4.235 8 HD11 LEU 1 1HD1 LEU 1 5.547 -2.945 6.543 9 HD12 LEU 1 2HD1 LEU 1 3.800 -3.054 6.339 10 HD13 LEU 1 3HD1 LEU 1 4.510 -1.616 7.066 11 HD21 LEU 1 1HD2 LEU 1 2.646 -1.716 4.671 12 HD22 LEU 1 2HD2 LEU 1 3.548 -0.646 3.601 13 HD23 LEU 1 3HD2 LEU 1 3.326 -0.215 5.294 14 HA PRO 2 HA PRO 2 10.251 1.408 3.187 15 HB2 PRO 2 2HB PRO 2 9.066 2.414 0.975 16 HB3 PRO 2 1HB PRO 2 9.998 0.912 0.906 17 HG2 PRO 2 2HG PRO 2 7.035 1.277 1.169 18 HG3 PRO 2 1HG PRO 2 7.921 0.234 0.041 19 HD2 PRO 2 2HD PRO 2 6.869 -0.807 2.238 20 HD3 PRO 2 1HD PRO 2 8.502 -1.290 1.737 21 H ARG 3 H ARG 3 10.023 3.731 2.638 22 HA ARG 3 HA ARG 3 8.384 4.804 4.705 23 HB2 ARG 3 2HB ARG 3 10.223 6.192 2.774 24 HB3 ARG 3 1HB ARG 3 9.499 6.864 4.232 25 HG2 ARG 3 2HG ARG 3 10.751 5.325 5.604 26 HG3 ARG 3 1HG ARG 3 11.430 4.569 4.169 27 HD2 ARG 3 2HD ARG 3 11.822 7.431 5.029 28 HD3 ARG 3 1HD ARG 3 13.005 6.130 5.134 29 HE ARG 3 HE ARG 3 12.268 6.220 2.506 30 HH11 ARG 3 1HH1 ARG 3 13.755 8.477 4.781 31 HH12 ARG 3 2HH1 ARG 3 14.561 9.382 3.589 32 HH21 ARG 3 1HH2 ARG 3 13.381 7.452 0.866 33 HH22 ARG 3 2HH2 ARG 3 14.349 8.785 1.299 34 H CYS 4 H CYS 4 6.325 4.566 4.023 35 HA CYS 4 HA CYS 4 5.447 6.400 1.905 36 HB2 CYS 4 2HB CYS 4 4.226 3.731 2.650 37 HB3 CYS 4 1HB CYS 4 3.568 4.848 1.465 38 H ASP 5 H ASP 5 5.558 5.838 5.133 39 HA ASP 5 HA ASP 5 4.633 6.760 6.946 40 HB2 ASP 5 2HB ASP 5 4.667 8.885 5.761 41 HB3 ASP 5 1HB ASP 5 3.185 8.491 4.915 42 H SER 6 H SER 6 2.992 4.778 5.015 43 HA SER 6 HA SER 6 0.643 4.728 6.764 44 HB2 SER 6 2HB SER 6 0.827 3.854 3.876 45 HB3 SER 6 1HB SER 6 -0.616 3.792 4.890 46 HG SER 6 HG SER 6 0.261 5.783 3.424 47 HA PRO 7 HA PRO 7 2.159 0.673 7.848 48 HB2 PRO 7 2HB PRO 7 0.111 -0.096 9.415 49 HB3 PRO 7 1HB PRO 7 1.253 1.145 9.933 50 HG2 PRO 7 2HG PRO 7 -1.497 1.447 8.818 51 HG3 PRO 7 1HG PRO 7 -0.726 2.332 10.142 52 HD2 PRO 7 2HD PRO 7 -0.951 3.298 7.558 53 HD3 PRO 7 1HD PRO 7 0.315 3.803 8.706 54 H PHE 8 H PHE 8 -1.125 1.125 6.630 55 HA PHE 8 HA PHE 8 -0.959 -1.315 5.073 56 HB2 PHE 8 2HB PHE 8 -3.267 -0.718 6.953 57 HB3 PHE 8 1HB PHE 8 -3.213 -2.018 5.779 58 HD1 PHE 8 1HD PHE 8 -2.319 -0.925 9.089 59 HD2 PHE 8 2HD PHE 8 -1.629 -3.900 6.130 60 HE1 PHE 8 1HE PHE 8 -1.365 -2.396 10.799 61 HE2 PHE 8 2HE PHE 8 -0.671 -5.379 7.840 62 HZ PHE 8 HZ PHE 8 -0.539 -4.624 10.175 63 H CYS 9 H CYS 9 -2.577 -1.304 3.466 64 HA CYS 9 HA CYS 9 -4.144 1.116 3.115 65 HB2 CYS 9 2HB CYS 9 -3.491 1.242 0.748 66 HB3 CYS 9 1HB CYS 9 -2.057 1.351 1.766 67 H SER 10 H SER 10 -5.381 0.280 0.706 68 HA SER 10 HA SER 10 -6.168 -2.459 1.220 69 HB2 SER 10 2HB SER 10 -8.590 -1.721 1.028 70 HB3 SER 10 1HB SER 10 -7.784 -1.214 2.516 71 HG SER 10 HG SER 10 -7.570 0.798 1.733 72 H LEU 11 H LEU 11 -7.448 -3.276 -0.678 73 HA LEU 11 HA LEU 11 -6.371 -2.331 -3.107 74 HB2 LEU 11 2HB LEU 11 -7.920 -3.967 -4.184 75 HB3 LEU 11 1HB LEU 11 -6.883 -4.617 -2.926 76 HG LEU 11 HG LEU 11 -8.908 -4.491 -1.387 77 HD11 LEU 11 1HD1 LEU 11 -10.307 -3.009 -2.688 78 HD12 LEU 11 2HD1 LEU 11 -11.102 -4.565 -2.446 79 HD13 LEU 11 3HD1 LEU 11 -10.358 -4.184 -4.001 80 HD21 LEU 11 1HD2 LEU 11 -9.792 -6.596 -2.188 81 HD22 LEU 11 2HD2 LEU 11 -8.031 -6.566 -2.308 82 HD23 LEU 11 3HD2 LEU 11 -9.022 -6.338 -3.749 83 H PHE 12 H PHE 12 -9.063 -1.486 -1.340 84 HA PHE 12 HA PHE 12 -10.480 -0.067 -3.403 85 HB2 PHE 12 2HB PHE 12 -10.623 0.284 -0.392 86 HB3 PHE 12 1HB PHE 12 -11.745 0.971 -1.550 87 HD1 PHE 12 1HD PHE 12 -11.129 -1.715 0.642 88 HD2 PHE 12 2HD PHE 12 -12.967 -0.757 -3.072 89 HE1 PHE 12 1HE PHE 12 -12.533 -3.717 0.822 90 HE2 PHE 12 2HE PHE 12 -14.377 -2.755 -2.892 91 HZ PHE 12 HZ PHE 12 -14.163 -4.242 -0.943 92 H ARG 13 H ARG 13 -8.617 0.970 -0.560 93 HA ARG 13 HA ARG 13 -7.955 3.434 -1.968 94 HB2 ARG 13 2HB ARG 13 -8.404 2.812 0.902 95 HB3 ARG 13 1HB ARG 13 -7.228 4.057 0.507 96 HG2 ARG 13 2HG ARG 13 -9.337 5.123 0.959 97 HG3 ARG 13 1HG ARG 13 -8.994 5.268 -0.756 98 HD2 ARG 13 2HD ARG 13 -11.316 4.754 -0.483 99 HD3 ARG 13 1HD ARG 13 -10.516 3.334 -1.152 100 HE ARG 13 HE ARG 13 -10.454 2.794 1.460 101 HH11 ARG 13 1HH1 ARG 13 -13.159 3.930 -0.543 102 HH12 ARG 13 2HH1 ARG 13 -14.335 3.167 0.405 103 HH21 ARG 13 1HH2 ARG 13 -12.064 1.779 2.721 104 HH22 ARG 13 2HH2 ARG 13 -13.713 1.933 2.327 105 H ILE 14 H ILE 14 -6.330 2.781 -3.123 106 HA ILE 14 HA ILE 14 -4.054 1.520 -1.820 107 HB ILE 14 HB ILE 14 -3.070 1.394 -4.092 108 HG12 ILE 14 2HG1 ILE 14 -5.674 2.604 -5.028 109 HG13 ILE 14 1HG1 ILE 14 -4.131 3.458 -5.012 110 HG21 ILE 14 1HG2 ILE 14 -4.673 -0.215 -5.053 111 HG22 ILE 14 2HG2 ILE 14 -5.898 0.363 -3.920 112 HG23 ILE 14 3HG2 ILE 14 -4.457 -0.444 -3.316 113 HD11 ILE 14 1HD1 ILE 14 -4.698 2.642 -7.237 114 HD12 ILE 14 2HD1 ILE 14 -4.788 0.993 -6.597 115 HD13 ILE 14 3HD1 ILE 14 -3.247 1.846 -6.620 116 H GLY 15 H GLY 15 -5.266 4.484 -2.263 117 HA2 GLY 15 2HA GLY 15 -3.037 6.057 -2.999 118 HA3 GLY 15 1HA GLY 15 -4.499 6.638 -2.226 119 H LEU 16 H LEU 16 -3.618 4.401 -0.115 120 HA LEU 16 HA LEU 16 -2.339 6.202 1.668 121 HB2 LEU 16 2HB LEU 16 -2.771 3.229 1.775 122 HB3 LEU 16 1HB LEU 16 -1.857 4.041 3.029 123 HG LEU 16 HG LEU 16 -4.052 3.658 3.835 124 HD11 LEU 16 1HD1 LEU 16 -3.086 5.765 4.470 125 HD12 LEU 16 2HD1 LEU 16 -4.839 5.875 4.358 126 HD13 LEU 16 3HD1 LEU 16 -3.837 6.557 3.081 127 HD21 LEU 16 1HD2 LEU 16 -5.240 3.335 1.744 128 HD22 LEU 16 2HD2 LEU 16 -5.084 5.049 1.371 129 HD23 LEU 16 3HD2 LEU 16 -6.073 4.533 2.735 130 H CYS 17 H CYS 17 -1.237 4.022 -0.710 131 HA CYS 17 HA CYS 17 1.534 4.411 0.081 132 HB2 CYS 17 2HB CYS 17 0.344 2.745 -2.156 133 HB3 CYS 17 1HB CYS 17 2.009 2.697 -1.586 134 H GLY 18 H GLY 18 2.092 6.410 -0.551 135 HA2 GLY 18 2HA GLY 18 0.745 7.825 -2.586 136 HA3 GLY 18 1HA GLY 18 2.101 8.386 -1.642 137 H ASP 19 H ASP 19 1.357 6.200 -4.280 138 HA ASP 19 HA ASP 19 1.855 6.142 -6.455 139 HB2 ASP 19 2HB ASP 19 1.741 8.534 -6.330 140 HB3 ASP 19 1HB ASP 19 3.465 8.640 -5.985 141 H LYS 20 H LYS 20 4.356 6.584 -4.339 142 HA LYS 20 HA LYS 20 6.387 5.490 -6.106 143 HB2 LYS 20 2HB LYS 20 6.554 6.241 -3.201 144 HB3 LYS 20 1HB LYS 20 7.929 5.764 -4.197 145 HG2 LYS 20 2HG LYS 20 7.559 7.657 -5.656 146 HG3 LYS 20 1HG LYS 20 6.136 8.115 -4.721 147 HD2 LYS 20 2HD LYS 20 7.542 8.401 -2.759 148 HD3 LYS 20 1HD LYS 20 8.968 8.014 -3.726 149 HE2 LYS 20 2HE LYS 20 7.081 10.297 -4.271 150 HE3 LYS 20 1HE LYS 20 8.618 10.460 -3.433 151 HZ1 LYS 20 1HZ LYS 20 9.728 9.668 -5.456 152 HZ2 LYS 20 2HZ LYS 20 8.833 11.064 -5.746 153 HZ3 LYS 20 3HZ LYS 20 8.246 9.593 -6.270 154 H CYS 21 H CYS 21 4.247 4.411 -3.746 155 HA CYS 21 HA CYS 21 5.349 1.769 -4.023 156 HB2 CYS 21 2HB CYS 21 4.281 1.411 -1.688 157 HB3 CYS 21 1HB CYS 21 5.886 2.106 -1.829 158 H THR 22 H THR 22 3.922 0.111 -3.991 159 HA THR 22 HA THR 22 1.252 0.797 -5.007 160 HB THR 22 HB THR 22 3.146 -1.496 -5.600 161 HG1 THR 22 1HG THR 22 3.136 0.925 -6.539 162 HG21 THR 22 1HG2 THR 22 0.791 -2.234 -5.790 163 HG22 THR 22 2HG2 THR 22 1.576 -2.163 -7.369 164 HG23 THR 22 3HG2 THR 22 0.471 -0.879 -6.876 165 H CYS 23 H CYS 23 -0.478 -0.724 -4.322 166 HA CYS 23 HA CYS 23 0.018 -1.789 -1.689 167 HB2 CYS 23 2HB CYS 23 -2.468 -1.362 -3.298 168 HB3 CYS 23 1HB CYS 23 -2.468 -2.293 -1.805 169 H VAL 24 H VAL 24 0.390 -3.776 -1.266 170 HA VAL 24 HA VAL 24 -0.346 -5.891 -3.181 171 HB VAL 24 HB VAL 24 1.275 -6.125 -0.627 172 HG11 VAL 24 1HG1 VAL 24 0.298 -8.215 -1.356 173 HG12 VAL 24 2HG1 VAL 24 2.051 -8.244 -1.561 174 HG13 VAL 24 3HG1 VAL 24 1.002 -8.004 -2.960 175 HG21 VAL 24 1HG2 VAL 24 2.445 -4.653 -2.132 176 HG22 VAL 24 2HG2 VAL 24 2.286 -5.823 -3.438 177 HG23 VAL 24 3HG2 VAL 24 3.278 -6.205 -2.030 178 HA PRO 25 HA PRO 25 -3.551 -6.031 0.041 179 HB2 PRO 25 2HB PRO 25 -5.609 -6.826 -1.545 180 HB3 PRO 25 1HB PRO 25 -5.097 -5.150 -1.376 181 HG2 PRO 25 2HG PRO 25 -4.740 -6.991 -3.646 182 HG3 PRO 25 1HG PRO 25 -4.716 -5.225 -3.619 183 HD2 PRO 25 2HD PRO 25 -2.482 -7.007 -3.698 184 HD3 PRO 25 1HD PRO 25 -2.458 -5.237 -3.601 185 H LEU 26 H LEU 26 -3.648 -7.688 1.378 186 HA LEU 26 HA LEU 26 -3.992 -10.310 0.225 187 HB2 LEU 26 2HB LEU 26 -2.368 -11.341 1.772 188 HB3 LEU 26 1HB LEU 26 -1.629 -10.252 0.627 189 HG LEU 26 HG LEU 26 -2.205 -9.395 3.469 190 HD11 LEU 26 1HD1 LEU 26 0.112 -10.011 3.993 191 HD12 LEU 26 2HD1 LEU 26 0.275 -10.733 2.392 192 HD13 LEU 26 3HD1 LEU 26 -0.849 -11.424 3.561 193 HD21 LEU 26 1HD2 LEU 26 -1.651 -7.631 1.863 194 HD22 LEU 26 2HD2 LEU 26 -0.168 -8.484 1.433 195 HD23 LEU 26 3HD2 LEU 26 -0.373 -7.834 3.061 196 HA PRO 27 HA PRO 27 -5.780 -10.648 -0.202 197 HB2 PRO 27 2HB PRO 27 -8.584 -10.827 0.354 198 HB3 PRO 27 1HB PRO 27 -7.494 -12.137 -0.097 199 HG2 PRO 27 2HG PRO 27 -8.717 -11.927 2.359 200 HG3 PRO 27 1HG PRO 27 -7.210 -12.808 2.068 201 HD2 PRO 27 2HD PRO 27 -7.611 -10.055 3.181 202 HD3 PRO 27 1HD PRO 27 -6.474 -11.321 3.692 203 H ILE 28 H ILE 28 -7.451 -8.589 2.067 204 HA ILE 28 HA ILE 28 -8.208 -6.765 -0.116 205 HB ILE 28 HB ILE 28 -9.415 -6.860 2.669 206 HG12 ILE 28 2HG1 ILE 28 -10.552 -7.909 0.060 207 HG13 ILE 28 1HG1 ILE 28 -9.915 -8.914 1.356 208 HG21 ILE 28 1HG2 ILE 28 -11.147 -5.413 1.686 209 HG22 ILE 28 2HG2 ILE 28 -10.289 -5.431 0.148 210 HG23 ILE 28 3HG2 ILE 28 -9.552 -4.668 1.557 211 HD11 ILE 28 1HD1 ILE 28 -12.318 -7.105 1.529 212 HD12 ILE 28 2HD1 ILE 28 -11.684 -8.099 2.840 213 HD13 ILE 28 3HD1 ILE 28 -12.342 -8.863 1.393 214 H PHE 29 H PHE 29 -7.078 -6.772 3.288 215 HA PHE 29 HA PHE 29 -6.147 -4.077 3.192 216 HB2 PHE 29 2HB PHE 29 -5.395 -6.346 5.065 217 HB3 PHE 29 1HB PHE 29 -4.896 -4.679 5.274 218 HD1 PHE 29 1HD PHE 29 -6.848 -2.940 5.472 219 HD2 PHE 29 2HD PHE 29 -7.268 -7.126 6.151 220 HE1 PHE 29 1HE PHE 29 -8.834 -2.514 6.855 221 HE2 PHE 29 2HE PHE 29 -9.259 -6.705 7.527 222 HZ PHE 29 HZ PHE 29 -10.046 -4.396 7.884 223 H GLY 30 H GLY 30 -4.186 -3.352 2.546 224 HA2 GLY 30 2HA GLY 30 -2.348 -5.434 1.640 225 HA3 GLY 30 1HA GLY 30 -2.735 -4.037 0.639 226 H LEU 31 H LEU 31 -0.237 -4.594 1.076 227 HA LEU 31 HA LEU 31 0.686 -2.631 3.071 228 HB2 LEU 31 2HB LEU 31 2.145 -4.985 1.882 229 HB3 LEU 31 1HB LEU 31 2.819 -3.838 3.017 230 HG LEU 31 HG LEU 31 0.569 -5.758 3.605 231 HD11 LEU 31 1HD1 LEU 31 2.241 -6.888 4.998 232 HD12 LEU 31 2HD1 LEU 31 3.469 -5.772 4.395 233 HD13 LEU 31 3HD1 LEU 31 2.678 -6.892 3.290 234 HD21 LEU 31 1HD2 LEU 31 0.912 -5.062 5.930 235 HD22 LEU 31 2HD2 LEU 31 0.405 -3.712 4.919 236 HD23 LEU 31 3HD2 LEU 31 2.095 -3.870 5.395 237 H CYS 32 H CYS 32 2.265 -1.199 2.385 238 HA CYS 32 HA CYS 32 2.281 -0.550 -0.397 239 HB2 CYS 32 2HB CYS 32 3.826 0.629 1.926 240 HB3 CYS 32 1HB CYS 32 3.799 1.296 0.306 241 H VAL 33 H VAL 33 3.485 -1.671 -1.758 242 HA VAL 33 HA VAL 33 6.140 -2.604 -0.944 243 HB VAL 33 HB VAL 33 4.584 -4.256 -2.035 244 HG11 VAL 33 1HG1 VAL 33 4.148 -4.148 -4.441 245 HG12 VAL 33 2HG1 VAL 33 4.864 -2.535 -4.479 246 HG13 VAL 33 3HG1 VAL 33 3.390 -2.823 -3.553 247 HG21 VAL 33 1HG2 VAL 33 7.078 -3.655 -3.615 248 HG22 VAL 33 2HG2 VAL 33 6.172 -5.165 -3.683 249 HG23 VAL 33 3HG2 VAL 33 6.956 -4.675 -2.181 250 HA PRO 34 HA PRO 34 7.755 0.903 -3.144 251 HB2 PRO 34 2HB PRO 34 10.338 0.096 -3.406 252 HB3 PRO 34 1HB PRO 34 9.676 0.719 -1.889 253 HG2 PRO 34 2HG PRO 34 10.163 -2.097 -2.736 254 HG3 PRO 34 1HG PRO 34 10.413 -1.355 -1.147 255 HD2 PRO 34 2HD PRO 34 8.277 -2.911 -1.783 256 HD3 PRO 34 1HD PRO 34 8.209 -1.640 -0.555 257 H ASP 35 H ASP 35 7.165 1.109 -5.198 258 HA ASP 35 HA ASP 35 7.720 -1.101 -7.044 259 HB2 ASP 35 2HB ASP 35 5.401 -0.010 -6.898 260 HB3 ASP 35 1HB ASP 35 6.150 1.389 -7.672 261 H VAL 36 H VAL 36 8.300 2.287 -6.532 262 HA VAL 36 HA VAL 36 10.376 2.122 -8.530 263 HB VAL 36 HB VAL 36 8.889 3.897 -9.210 264 HG11 VAL 36 1HG1 VAL 36 7.690 4.234 -7.145 265 HG12 VAL 36 2HG1 VAL 36 8.268 5.777 -7.782 266 HG13 VAL 36 3HG1 VAL 36 9.098 5.013 -6.426 267 HG21 VAL 36 1HG2 VAL 36 11.235 5.149 -7.804 268 HG22 VAL 36 2HG2 VAL 36 10.298 5.888 -9.104 269 HG23 VAL 36 3HG2 VAL 36 11.256 4.435 -9.413 Start of MODEL 20 1 H1 LEU 1 1HT LEU 1 16.057 8.613 2.571 2 H2 LEU 1 2HT LEU 1 15.782 9.812 1.451 3 H3 LEU 1 3HT LEU 1 17.083 8.770 1.232 4 HA LEU 1 HA LEU 1 15.258 8.216 -0.227 5 HB2 LEU 1 2HB LEU 1 15.638 6.253 2.048 6 HB3 LEU 1 1HB LEU 1 14.669 5.889 0.646 7 HG LEU 1 HG LEU 1 16.737 4.813 0.381 8 HD11 LEU 1 1HD1 LEU 1 17.626 5.756 -1.670 9 HD12 LEU 1 2HD1 LEU 1 16.723 7.238 -1.370 10 HD13 LEU 1 3HD1 LEU 1 15.864 5.719 -1.640 11 HD21 LEU 1 1HD2 LEU 1 18.135 7.449 0.835 12 HD22 LEU 1 2HD2 LEU 1 18.905 5.926 0.403 13 HD23 LEU 1 3HD2 LEU 1 18.089 6.090 1.957 14 HA PRO 2 HA PRO 2 11.253 9.059 1.480 15 HB2 PRO 2 2HB PRO 2 9.771 8.426 -0.674 16 HB3 PRO 2 1HB PRO 2 10.754 9.894 -0.644 17 HG2 PRO 2 2HG PRO 2 11.294 7.280 -1.977 18 HG3 PRO 2 1HG PRO 2 11.634 8.926 -2.539 19 HD2 PRO 2 2HD PRO 2 13.509 7.239 -1.394 20 HD3 PRO 2 1HD PRO 2 13.633 9.008 -1.447 21 H ARG 3 H ARG 3 9.709 7.917 2.428 22 HA ARG 3 HA ARG 3 9.600 5.057 1.916 23 HB2 ARG 3 2HB ARG 3 9.670 6.389 4.636 24 HB3 ARG 3 1HB ARG 3 9.415 4.676 4.345 25 HG2 ARG 3 2HG ARG 3 11.671 4.540 3.356 26 HG3 ARG 3 1HG ARG 3 11.913 6.244 3.742 27 HD2 ARG 3 2HD ARG 3 11.381 4.027 5.709 28 HD3 ARG 3 1HD ARG 3 12.934 4.805 5.415 29 HE ARG 3 HE ARG 3 11.339 6.864 6.087 30 HH11 ARG 3 1HH1 ARG 3 11.929 3.747 7.640 31 HH12 ARG 3 2HH1 ARG 3 11.715 4.331 9.217 32 HH21 ARG 3 1HH2 ARG 3 11.053 7.669 8.228 33 HH22 ARG 3 2HH2 ARG 3 11.204 6.645 9.581 34 H CYS 4 H CYS 4 7.507 4.375 3.473 35 HA CYS 4 HA CYS 4 5.491 6.232 2.437 36 HB2 CYS 4 2HB CYS 4 5.234 3.267 2.895 37 HB3 CYS 4 1HB CYS 4 4.000 4.322 2.205 38 H ASP 5 H ASP 5 6.096 3.983 5.090 39 HA ASP 5 HA ASP 5 5.454 3.890 7.243 40 HB2 ASP 5 2HB ASP 5 6.205 6.360 7.233 41 HB3 ASP 5 1HB ASP 5 4.506 6.772 7.053 42 H SER 6 H SER 6 3.725 3.257 5.100 43 HA SER 6 HA SER 6 1.039 3.890 5.973 44 HB2 SER 6 2HB SER 6 1.998 2.114 3.725 45 HB3 SER 6 1HB SER 6 0.401 2.851 3.914 46 HG SER 6 HG SER 6 1.505 4.148 2.519 47 HA PRO 7 HA PRO 7 1.344 0.160 8.548 48 HB2 PRO 7 2HB PRO 7 -1.240 0.221 9.465 49 HB3 PRO 7 1HB PRO 7 0.075 1.171 10.162 50 HG2 PRO 7 2HG PRO 7 -2.054 1.994 8.246 51 HG3 PRO 7 1HG PRO 7 -1.362 2.889 9.607 52 HD2 PRO 7 2HD PRO 7 -0.680 3.377 7.037 53 HD3 PRO 7 1HD PRO 7 0.463 3.589 8.378 54 H PHE 8 H PHE 8 -1.583 0.656 6.572 55 HA PHE 8 HA PHE 8 -1.341 -2.013 5.494 56 HB2 PHE 8 2HB PHE 8 -3.783 -1.032 6.993 57 HB3 PHE 8 1HB PHE 8 -3.862 -2.323 5.808 58 HD1 PHE 8 1HD PHE 8 -3.000 -1.410 9.194 59 HD2 PHE 8 2HD PHE 8 -2.685 -4.457 6.244 60 HE1 PHE 8 1HE PHE 8 -2.453 -3.052 10.943 61 HE2 PHE 8 2HE PHE 8 -2.140 -6.093 7.987 62 HZ PHE 8 HZ PHE 8 -2.026 -5.392 10.337 63 H CYS 9 H CYS 9 -3.349 -2.187 3.859 64 HA CYS 9 HA CYS 9 -4.077 0.328 2.684 65 HB2 CYS 9 2HB CYS 9 -1.758 -0.274 1.845 66 HB3 CYS 9 1HB CYS 9 -2.478 -1.712 1.124 67 H SER 10 H SER 10 -5.615 -0.224 0.856 68 HA SER 10 HA SER 10 -6.680 -2.926 0.983 69 HB2 SER 10 2HB SER 10 -8.998 -2.080 1.430 70 HB3 SER 10 1HB SER 10 -7.901 -1.837 2.789 71 HG SER 10 HG SER 10 -8.073 0.198 2.592 72 H LEU 11 H LEU 11 -8.514 -3.154 -0.663 73 HA LEU 11 HA LEU 11 -7.664 -2.010 -3.093 74 HB2 LEU 11 2HB LEU 11 -9.567 -3.179 -4.153 75 HB3 LEU 11 1HB LEU 11 -8.639 -4.196 -3.076 76 HG LEU 11 HG LEU 11 -10.508 -3.871 -1.364 77 HD11 LEU 11 1HD1 LEU 11 -11.601 -1.935 -2.362 78 HD12 LEU 11 2HD1 LEU 11 -12.712 -3.297 -2.224 79 HD13 LEU 11 3HD1 LEU 11 -12.003 -2.892 -3.789 80 HD21 LEU 11 1HD2 LEU 11 -11.864 -5.609 -2.325 81 HD22 LEU 11 2HD2 LEU 11 -10.164 -5.920 -2.707 82 HD23 LEU 11 3HD2 LEU 11 -11.238 -5.249 -3.926 83 H PHE 12 H PHE 12 -9.721 -0.993 -0.721 84 HA PHE 12 HA PHE 12 -11.194 0.946 -2.286 85 HB2 PHE 12 2HB PHE 12 -10.941 0.678 0.719 86 HB3 PHE 12 1HB PHE 12 -12.041 1.754 -0.120 87 HD1 PHE 12 1HD PHE 12 -13.798 0.645 -1.643 88 HD2 PHE 12 2HD PHE 12 -11.620 -1.443 1.364 89 HE1 PHE 12 1HE PHE 12 -15.544 -1.073 -1.574 90 HE2 PHE 12 2HE PHE 12 -13.364 -3.170 1.424 91 HZ PHE 12 HZ PHE 12 -15.327 -2.992 -0.039 92 H ARG 13 H ARG 13 -8.841 1.084 0.390 93 HA ARG 13 HA ARG 13 -8.125 3.760 -0.488 94 HB2 ARG 13 2HB ARG 13 -7.857 2.369 2.161 95 HB3 ARG 13 1HB ARG 13 -6.858 3.761 1.787 96 HG2 ARG 13 2HG ARG 13 -8.706 4.522 3.078 97 HG3 ARG 13 1HG ARG 13 -8.962 5.073 1.427 98 HD2 ARG 13 2HD ARG 13 -11.032 4.266 2.368 99 HD3 ARG 13 1HD ARG 13 -10.506 3.187 1.076 100 HE ARG 13 HE ARG 13 -9.489 2.161 3.427 101 HH11 ARG 13 1HH1 ARG 13 -12.724 2.800 2.138 102 HH12 ARG 13 2HH1 ARG 13 -13.471 1.525 2.961 103 HH21 ARG 13 1HH2 ARG 13 -10.485 0.422 4.571 104 HH22 ARG 13 2HH2 ARG 13 -12.148 0.116 4.403 105 H ILE 14 H ILE 14 -6.801 3.249 -2.153 106 HA ILE 14 HA ILE 14 -4.394 1.693 -1.527 107 HB ILE 14 HB ILE 14 -3.891 1.787 -3.952 108 HG12 ILE 14 2HG1 ILE 14 -6.603 3.082 -4.215 109 HG13 ILE 14 1HG1 ILE 14 -5.062 3.904 -4.444 110 HG21 ILE 14 1HG2 ILE 14 -5.674 0.275 -4.710 111 HG22 ILE 14 2HG2 ILE 14 -6.615 0.702 -3.281 112 HG23 ILE 14 3HG2 ILE 14 -5.072 -0.131 -3.102 113 HD11 ILE 14 1HD1 ILE 14 -6.087 1.598 -6.069 114 HD12 ILE 14 2HD1 ILE 14 -4.563 2.461 -6.316 115 HD13 ILE 14 3HD1 ILE 14 -6.103 3.295 -6.556 116 H GLY 15 H GLY 15 -5.447 4.701 -1.305 117 HA2 GLY 15 2HA GLY 15 -3.295 6.243 -2.380 118 HA3 GLY 15 1HA GLY 15 -4.512 6.810 -1.245 119 H LEU 16 H LEU 16 -3.448 4.214 0.224 120 HA LEU 16 HA LEU 16 -1.696 5.520 2.031 121 HB2 LEU 16 2HB LEU 16 -2.457 2.652 1.577 122 HB3 LEU 16 1HB LEU 16 -1.138 3.038 2.651 123 HG LEU 16 HG LEU 16 -3.133 2.612 3.912 124 HD11 LEU 16 1HD1 LEU 16 -1.602 4.260 4.783 125 HD12 LEU 16 2HD1 LEU 16 -3.261 4.612 5.246 126 HD13 LEU 16 3HD1 LEU 16 -2.493 5.545 3.962 127 HD21 LEU 16 1HD2 LEU 16 -5.132 4.028 3.743 128 HD22 LEU 16 2HD2 LEU 16 -4.817 3.153 2.243 129 HD23 LEU 16 3HD2 LEU 16 -4.411 4.867 2.368 130 H CYS 17 H CYS 17 -1.296 3.626 -0.847 131 HA CYS 17 HA CYS 17 1.578 4.137 -0.689 132 HB2 CYS 17 2HB CYS 17 0.397 1.698 -1.996 133 HB3 CYS 17 1HB CYS 17 2.052 1.989 -1.506 134 H GLY 18 H GLY 18 1.096 6.009 -1.965 135 HA2 GLY 18 2HA GLY 18 0.085 5.379 -4.646 136 HA3 GLY 18 1HA GLY 18 -0.023 6.954 -3.877 137 H ASP 19 H ASP 19 1.867 4.805 -5.722 138 HA ASP 19 HA ASP 19 3.550 5.058 -7.140 139 HB2 ASP 19 2HB ASP 19 2.547 7.165 -7.651 140 HB3 ASP 19 1HB ASP 19 3.458 7.974 -6.384 141 H LYS 20 H LYS 20 3.864 6.129 -4.025 142 HA LYS 20 HA LYS 20 6.755 6.155 -3.884 143 HB2 LYS 20 2HB LYS 20 4.700 6.028 -1.685 144 HB3 LYS 20 1HB LYS 20 6.422 6.277 -1.445 145 HG2 LYS 20 2HG LYS 20 6.320 8.380 -2.618 146 HG3 LYS 20 1HG LYS 20 4.613 8.115 -2.994 147 HD2 LYS 20 2HD LYS 20 4.115 8.031 -0.629 148 HD3 LYS 20 1HD LYS 20 5.803 8.364 -0.244 149 HE2 LYS 20 2HE LYS 20 5.671 10.522 -1.324 150 HE3 LYS 20 1HE LYS 20 4.027 10.201 -1.858 151 HZ1 LYS 20 1HZ LYS 20 3.995 11.601 0.081 152 HZ2 LYS 20 2HZ LYS 20 4.950 10.526 0.945 153 HZ3 LYS 20 3HZ LYS 20 3.386 10.094 0.511 154 H CYS 21 H CYS 21 4.172 3.902 -3.422 155 HA CYS 21 HA CYS 21 5.857 1.659 -3.447 156 HB2 CYS 21 2HB CYS 21 4.731 0.867 -1.224 157 HB3 CYS 21 1HB CYS 21 6.190 1.832 -1.129 158 H THR 22 H THR 22 4.205 -0.303 -2.896 159 HA THR 22 HA THR 22 1.677 0.373 -4.172 160 HB THR 22 HB THR 22 3.543 -1.890 -4.973 161 HG1 THR 22 1HG THR 22 4.209 -0.628 -6.548 162 HG21 THR 22 1HG2 THR 22 1.147 -2.445 -5.265 163 HG22 THR 22 2HG2 THR 22 1.956 -2.253 -6.824 164 HG23 THR 22 3HG2 THR 22 0.932 -0.962 -6.195 165 H CYS 23 H CYS 23 -0.028 -1.085 -3.535 166 HA CYS 23 HA CYS 23 0.765 -3.004 -1.498 167 HB2 CYS 23 2HB CYS 23 -1.264 -2.528 -0.259 168 HB3 CYS 23 1HB CYS 23 -0.317 -1.055 -0.422 169 H VAL 24 H VAL 24 -0.186 -4.963 -1.651 170 HA VAL 24 HA VAL 24 -2.026 -5.325 -3.891 171 HB VAL 24 HB VAL 24 -0.143 -7.361 -2.659 172 HG11 VAL 24 1HG1 VAL 24 -0.781 -8.787 -4.553 173 HG12 VAL 24 2HG1 VAL 24 -1.934 -7.560 -5.077 174 HG13 VAL 24 3HG1 VAL 24 -2.162 -8.384 -3.533 175 HG21 VAL 24 1HG2 VAL 24 1.095 -7.220 -4.787 176 HG22 VAL 24 2HG2 VAL 24 1.098 -5.688 -3.920 177 HG23 VAL 24 3HG2 VAL 24 0.035 -5.912 -5.305 178 HA PRO 25 HA PRO 25 -4.766 -6.230 -0.354 179 HB2 PRO 25 2HB PRO 25 -6.758 -6.179 -2.535 180 HB3 PRO 25 1HB PRO 25 -6.731 -5.255 -1.031 181 HG2 PRO 25 2HG PRO 25 -6.249 -4.073 -3.377 182 HG3 PRO 25 1HG PRO 25 -5.365 -3.604 -1.912 183 HD2 PRO 25 2HD PRO 25 -4.490 -5.356 -4.173 184 HD3 PRO 25 1HD PRO 25 -3.590 -4.090 -3.309 185 H LEU 26 H LEU 26 -5.568 -8.210 0.264 186 HA LEU 26 HA LEU 26 -6.165 -10.143 -1.757 187 HB2 LEU 26 2HB LEU 26 -4.687 -11.889 -0.931 188 HB3 LEU 26 1HB LEU 26 -3.781 -10.511 -1.492 189 HG LEU 26 HG LEU 26 -4.274 -11.163 1.422 190 HD11 LEU 26 1HD1 LEU 26 -1.861 -11.652 -0.297 191 HD12 LEU 26 2HD1 LEU 26 -2.946 -12.884 0.352 192 HD13 LEU 26 3HD1 LEU 26 -1.949 -11.916 1.442 193 HD21 LEU 26 1HD2 LEU 26 -2.358 -9.224 0.122 194 HD22 LEU 26 2HD2 LEU 26 -2.422 -9.598 1.845 195 HD23 LEU 26 3HD2 LEU 26 -3.789 -8.804 1.059 196 HA PRO 27 HA PRO 27 -7.968 -10.152 -2.190 197 HB2 PRO 27 2HB PRO 27 -10.770 -10.159 -1.486 198 HB3 PRO 27 1HB PRO 27 -9.901 -11.310 -2.500 199 HG2 PRO 27 2HG PRO 27 -10.956 -11.988 -0.089 200 HG3 PRO 27 1HG PRO 27 -9.503 -12.752 -0.756 201 HD2 PRO 27 2HD PRO 27 -9.723 -10.529 1.238 202 HD3 PRO 27 1HD PRO 27 -8.713 -11.992 1.312 203 H ILE 28 H ILE 28 -9.220 -8.702 0.756 204 HA ILE 28 HA ILE 28 -10.080 -6.325 -0.731 205 HB ILE 28 HB ILE 28 -10.745 -7.099 2.128 206 HG12 ILE 28 2HG1 ILE 28 -12.434 -7.281 -0.376 207 HG13 ILE 28 1HG1 ILE 28 -11.679 -8.653 0.426 208 HG21 ILE 28 1HG2 ILE 28 -12.449 -5.345 1.969 209 HG22 ILE 28 2HG2 ILE 28 -11.882 -4.938 0.349 210 HG23 ILE 28 3HG2 ILE 28 -10.829 -4.683 1.741 211 HD11 ILE 28 1HD1 ILE 28 -13.799 -6.858 1.564 212 HD12 ILE 28 2HD1 ILE 28 -13.043 -8.207 2.411 213 HD13 ILE 28 3HD1 ILE 28 -14.029 -8.508 0.979 214 H PHE 29 H PHE 29 -8.245 -7.243 2.152 215 HA PHE 29 HA PHE 29 -6.973 -4.602 2.119 216 HB2 PHE 29 2HB PHE 29 -7.276 -6.612 4.363 217 HB3 PHE 29 1HB PHE 29 -6.306 -5.148 4.476 218 HD1 PHE 29 1HD PHE 29 -9.700 -6.513 4.367 219 HD2 PHE 29 2HD PHE 29 -7.346 -2.986 4.644 220 HE1 PHE 29 1HE PHE 29 -11.686 -5.249 5.082 221 HE2 PHE 29 2HE PHE 29 -9.328 -1.717 5.358 222 HZ PHE 29 HZ PHE 29 -11.500 -2.851 5.573 223 H GLY 30 H GLY 30 -4.661 -4.546 2.469 224 HA2 GLY 30 2HA GLY 30 -3.226 -7.035 2.260 225 HA3 GLY 30 1HA GLY 30 -3.138 -6.015 0.835 226 H LEU 31 H LEU 31 -0.836 -6.446 1.818 227 HA LEU 31 HA LEU 31 -0.183 -4.368 3.752 228 HB2 LEU 31 2HB LEU 31 1.511 -6.561 2.559 229 HB3 LEU 31 1HB LEU 31 2.051 -5.414 3.767 230 HG LEU 31 HG LEU 31 -0.093 -7.505 4.163 231 HD11 LEU 31 1HD1 LEU 31 2.730 -7.345 5.198 232 HD12 LEU 31 2HD1 LEU 31 2.134 -8.462 3.971 233 HD13 LEU 31 3HD1 LEU 31 1.536 -8.570 5.629 234 HD21 LEU 31 1HD2 LEU 31 1.150 -5.557 6.112 235 HD22 LEU 31 2HD2 LEU 31 0.039 -6.858 6.531 236 HD23 LEU 31 3HD2 LEU 31 -0.514 -5.522 5.527 237 H CYS 32 H CYS 32 1.766 -3.113 3.270 238 HA CYS 32 HA CYS 32 1.754 -2.275 0.467 239 HB2 CYS 32 2HB CYS 32 1.020 -0.652 2.261 240 HB3 CYS 32 1HB CYS 32 2.671 -0.710 2.875 241 H VAL 33 H VAL 33 3.728 -2.087 -0.600 242 HA VAL 33 HA VAL 33 6.093 -2.916 0.855 243 HB VAL 33 HB VAL 33 5.021 -4.935 -0.139 244 HG11 VAL 33 1HG1 VAL 33 5.462 -3.612 -2.797 245 HG12 VAL 33 2HG1 VAL 33 3.912 -3.969 -2.045 246 HG13 VAL 33 3HG1 VAL 33 4.970 -5.288 -2.553 247 HG21 VAL 33 1HG2 VAL 33 6.984 -5.809 -1.352 248 HG22 VAL 33 2HG2 VAL 33 7.406 -4.971 0.139 249 HG23 VAL 33 3HG2 VAL 33 7.633 -4.168 -1.417 250 HA PRO 34 HA PRO 34 7.824 0.423 -1.648 251 HB2 PRO 34 2HB PRO 34 10.433 -0.579 -1.709 252 HB3 PRO 34 1HB PRO 34 9.795 0.483 -0.452 253 HG2 PRO 34 2HG PRO 34 10.125 -2.479 -0.447 254 HG3 PRO 34 1HG PRO 34 10.343 -1.326 0.880 255 HD2 PRO 34 2HD PRO 34 8.168 -2.880 0.707 256 HD3 PRO 34 1HD PRO 34 8.068 -1.215 1.320 257 H ASP 35 H ASP 35 7.995 0.584 -3.823 258 HA ASP 35 HA ASP 35 7.625 -1.904 -5.312 259 HB2 ASP 35 2HB ASP 35 6.219 0.285 -5.587 260 HB3 ASP 35 1HB ASP 35 7.662 0.866 -6.432 261 H VAL 36 H VAL 36 9.574 0.967 -5.102 262 HA VAL 36 HA VAL 36 11.839 -0.437 -5.856 263 HB VAL 36 HB VAL 36 11.071 0.072 -8.100 264 HG11 VAL 36 1HG1 VAL 36 9.605 1.939 -7.691 265 HG12 VAL 36 2HG1 VAL 36 10.784 2.367 -8.933 266 HG13 VAL 36 3HG1 VAL 36 10.980 2.963 -7.287 267 HG21 VAL 36 1HG2 VAL 36 13.420 0.126 -7.754 268 HG22 VAL 36 2HG2 VAL 36 13.337 1.808 -7.237 269 HG23 VAL 36 3HG2 VAL 36 12.997 1.387 -8.927
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