NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
645706 | 6pvr | 30645 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 HT1 MET 1 5.631 14.326 -2.391 2 H2 MET 1 HT2 MET 1 4.013 14.351 -1.873 3 H3 MET 1 HT3 MET 1 5.036 13.074 -1.412 4 HA MET 1 HA MET 1 6.346 14.499 -0.048 5 HB2 MET 1 HB2 MET 1 5.033 16.518 -1.702 6 HB3 MET 1 HB1 MET 1 4.986 16.927 0.012 7 HG2 MET 1 HG2 MET 1 7.436 16.522 0.151 8 HG3 MET 1 HG1 MET 1 7.460 16.203 -1.583 9 HE1 MET 1 HE1 MET 1 7.546 17.656 -3.306 10 HE2 MET 1 HE2 MET 1 7.196 19.382 -3.355 11 HE3 MET 1 HE3 MET 1 5.878 18.229 -3.165 12 H PHE 2 HN PHE 2 3.779 12.903 -0.110 13 HA PHE 2 HA PHE 2 1.942 14.060 1.724 14 HB2 PHE 2 HB2 PHE 2 2.478 11.237 0.822 15 HB3 PHE 2 HB1 PHE 2 1.262 11.609 2.044 16 HD1 PHE 2 HD1 PHE 2 2.055 11.607 -1.481 17 HD2 PHE 2 HD2 PHE 2 -0.586 13.247 1.481 18 HE1 PHE 2 HE1 PHE 2 0.454 12.248 -3.264 19 HE2 PHE 2 HE2 PHE 2 -2.187 13.888 -0.300 20 HZ PHE 2 HZ PHE 2 -1.668 13.388 -2.673 21 H GLU 3 HN GLU 3 4.718 11.879 2.115 22 HA GLU 3 HA GLU 3 4.283 11.772 4.969 23 HB2 GLU 3 HB2 GLU 3 6.563 10.629 3.361 24 HB3 GLU 3 HB1 GLU 3 6.170 10.259 5.039 25 HG2 GLU 3 HG2 GLU 3 5.078 8.506 4.022 26 HG3 GLU 3 HG1 GLU 3 3.788 9.706 4.000 27 HA PRO 4 HA PRO 4 6.864 15.419 5.507 28 HB2 PRO 4 HB2 PRO 4 7.015 15.380 8.240 29 HB3 PRO 4 HB1 PRO 4 5.607 15.981 7.346 30 HG2 PRO 4 HG2 PRO 4 6.024 13.353 8.678 31 HG3 PRO 4 HG1 PRO 4 4.572 14.367 8.606 32 HD2 PRO 4 HD2 PRO 4 4.914 12.161 7.027 33 HD3 PRO 4 HD1 PRO 4 3.951 13.567 6.522 34 H PHE 5 HN PHE 5 7.585 12.278 6.912 35 HA PHE 5 HA PHE 5 10.210 12.804 7.819 36 HB2 PHE 5 HB2 PHE 5 10.215 10.618 8.378 37 HB3 PHE 5 HB1 PHE 5 8.521 10.642 7.887 38 HD1 PHE 5 HD1 PHE 5 11.725 9.201 7.284 39 HD2 PHE 5 HD2 PHE 5 8.043 10.249 5.343 40 HE1 PHE 5 HE1 PHE 5 12.239 7.611 5.452 41 HE2 PHE 5 HE2 PHE 5 8.553 8.660 3.509 42 HZ PHE 5 HZ PHE 5 10.654 7.334 3.562 43 H GLN 6 HN GLN 6 8.957 12.686 4.651 44 HA GLN 6 HA GLN 6 11.082 11.560 3.205 45 HB2 GLN 6 HB2 GLN 6 8.860 12.129 2.248 46 HB3 GLN 6 HB1 GLN 6 9.272 13.841 2.370 47 HG2 GLN 6 HG2 GLN 6 11.313 13.351 0.946 48 HG3 GLN 6 HG1 GLN 6 10.654 11.736 0.687 49 HE21 GLN 6 HE21 GLN 6 9.853 11.776 -1.430 50 HE22 GLN 6 HE22 GLN 6 8.811 12.971 -2.038 51 H ILE 7 HN ILE 7 10.572 14.833 4.453 52 HA ILE 7 HA ILE 7 12.659 16.124 3.105 53 HB ILE 7 HB ILE 7 12.562 17.797 4.901 54 HG12 ILE 7 HG12 ILE 7 10.581 17.045 6.626 55 HG13 ILE 7 HG11 ILE 7 11.388 15.507 6.368 56 HG21 ILE 7 HG21 ILE 7 9.847 16.662 4.167 57 HG22 ILE 7 HG22 ILE 7 10.789 17.787 3.189 58 HG23 ILE 7 HG23 ILE 7 10.145 18.299 4.750 59 HD11 ILE 7 HD11 ILE 7 13.588 16.880 6.802 60 HD12 ILE 7 HD12 ILE 7 12.591 16.380 8.168 61 HD13 ILE 7 HD13 ILE 7 12.486 18.031 7.562 62 H LEU 8 HN LEU 8 12.684 14.227 6.098 63 HA LEU 8 HA LEU 8 15.389 14.820 6.750 64 HB2 LEU 8 HB2 LEU 8 13.731 14.083 8.432 65 HB3 LEU 8 HB1 LEU 8 13.641 12.512 7.638 66 HG LEU 8 HG LEU 8 16.081 12.201 8.047 67 HD11 LEU 8 HD11 LEU 8 16.886 14.449 8.174 68 HD12 LEU 8 HD12 LEU 8 17.077 13.782 9.795 69 HD13 LEU 8 HD13 LEU 8 15.731 14.865 9.439 70 HD21 LEU 8 HD21 LEU 8 14.534 11.237 9.646 71 HD22 LEU 8 HD22 LEU 8 14.329 12.793 10.451 72 HD23 LEU 8 HD23 LEU 8 15.873 11.947 10.548 73 H SER 9 HN SER 9 13.767 12.340 4.910 74 HA SER 9 HA SER 9 15.978 10.556 4.645 75 HB2 SER 9 HB2 SER 9 13.690 9.815 4.206 76 HB3 SER 9 HB1 SER 9 13.564 10.945 2.860 77 HG SER 9 HG SER 9 15.277 9.819 1.861 78 H ILE 10 HN ILE 10 14.643 13.053 2.480 79 HA ILE 10 HA ILE 10 16.557 12.754 0.437 80 HB ILE 10 HB ILE 10 14.901 15.160 1.237 81 HG12 ILE 10 HG12 ILE 10 14.528 13.245 -1.081 82 HG13 ILE 10 HG11 ILE 10 13.769 12.981 0.491 83 HG21 ILE 10 HG21 ILE 10 16.704 14.626 -1.136 84 HG22 ILE 10 HG22 ILE 10 16.691 16.030 -0.068 85 HG23 ILE 10 HG23 ILE 10 15.379 15.788 -1.220 86 HD11 ILE 10 HD11 ILE 10 13.453 15.498 -1.171 87 HD12 ILE 10 HD12 ILE 10 12.633 15.136 0.348 88 HD13 ILE 10 HD13 ILE 10 12.273 14.191 -1.097 89 H CYS 11 HN CYS 11 16.464 14.895 3.286 90 HA CYS 11 HA CYS 11 18.791 16.361 2.702 91 HB2 CYS 11 HB2 CYS 11 17.469 15.624 5.316 92 HB3 CYS 11 HB1 CYS 11 18.859 16.703 5.211 93 HG CYS 11 HG CYS 11 17.416 18.358 3.794 94 H SER 12 HN SER 12 18.367 13.415 4.707 95 HA SER 12 HA SER 12 21.055 13.106 5.402 96 HB2 SER 12 HB2 SER 12 19.262 11.846 6.487 97 HB3 SER 12 HB1 SER 12 18.936 10.984 4.986 98 HG SER 12 HG SER 12 20.980 10.075 5.108 99 H PHE 13 HN PHE 13 19.243 11.869 2.608 100 HA PHE 13 HA PHE 13 21.256 10.279 1.507 101 HB2 PHE 13 HB2 PHE 13 18.953 10.222 0.699 102 HB3 PHE 13 HB1 PHE 13 19.095 11.880 0.114 103 HD1 PHE 13 HD1 PHE 13 20.828 8.565 -0.173 104 HD2 PHE 13 HD2 PHE 13 19.710 12.233 -2.111 105 HE1 PHE 13 HE1 PHE 13 21.768 7.724 -2.308 106 HE2 PHE 13 HE2 PHE 13 20.651 11.392 -4.245 107 HZ PHE 13 HZ PHE 13 21.680 9.137 -4.344 108 H ILE 14 HN ILE 14 20.497 13.709 0.921 109 HA ILE 14 HA ILE 14 22.522 14.185 -0.976 110 HB ILE 14 HB ILE 14 21.154 16.048 0.981 111 HG12 ILE 14 HG12 ILE 14 19.877 14.791 -0.899 112 HG13 ILE 14 HG11 ILE 14 19.668 16.537 -0.793 113 HG21 ILE 14 HG21 ILE 14 23.147 17.184 0.402 114 HG22 ILE 14 HG22 ILE 14 21.965 17.794 -0.753 115 HG23 ILE 14 HG23 ILE 14 23.130 16.567 -1.250 116 HD11 ILE 14 HD11 ILE 14 20.166 15.459 -3.122 117 HD12 ILE 14 HD12 ILE 14 21.832 15.380 -2.548 118 HD13 ILE 14 HD13 ILE 14 21.012 16.937 -2.673 119 H LEU 15 HN LEU 15 22.492 14.614 2.555 120 HA LEU 15 HA LEU 15 25.117 15.654 2.769 121 HB2 LEU 15 HB2 LEU 15 23.336 14.221 4.757 122 HB3 LEU 15 HB1 LEU 15 24.866 14.987 5.183 123 HG LEU 15 HG LEU 15 22.652 16.489 3.770 124 HD11 LEU 15 HD11 LEU 15 21.758 15.677 5.901 125 HD12 LEU 15 HD12 LEU 15 22.084 17.405 6.017 126 HD13 LEU 15 HD13 LEU 15 23.196 16.247 6.747 127 HD21 LEU 15 HD21 LEU 15 24.846 17.532 3.636 128 HD22 LEU 15 HD22 LEU 15 25.105 17.296 5.363 129 HD23 LEU 15 HD23 LEU 15 23.877 18.431 4.803 130 H SER 16 HN SER 16 23.858 12.420 2.532 131 HA SER 16 HA SER 16 26.166 11.051 3.524 132 HB2 SER 16 HB2 SER 16 23.935 10.006 3.481 133 HB3 SER 16 HB1 SER 16 23.944 10.066 1.722 134 HG SER 16 HG SER 16 25.325 8.455 1.669 135 H ALA 17 HN ALA 17 24.943 11.817 0.278 136 HA ALA 17 HA ALA 17 27.052 10.551 -1.141 137 HB1 ALA 17 HB1 ALA 17 25.020 11.006 -2.320 138 HB2 ALA 17 HB2 ALA 17 26.257 12.036 -3.039 139 HB3 ALA 17 HB3 ALA 17 25.089 12.719 -1.908 140 H LEU 18 HN LEU 18 26.588 13.849 0.109 141 HA LEU 18 HA LEU 18 28.933 14.896 -1.138 142 HB2 LEU 18 HB2 LEU 18 27.073 15.845 1.028 143 HB3 LEU 18 HB1 LEU 18 28.540 16.738 0.623 144 HG LEU 18 HG LEU 18 26.586 15.910 -1.523 145 HD11 LEU 18 HD11 LEU 18 25.313 17.195 0.153 146 HD12 LEU 18 HD12 LEU 18 25.560 18.153 -1.307 147 HD13 LEU 18 HD13 LEU 18 26.542 18.459 0.125 148 HD21 LEU 18 HD21 LEU 18 28.590 18.176 -1.254 149 HD22 LEU 18 HD22 LEU 18 27.608 17.840 -2.678 150 HD23 LEU 18 HD23 LEU 18 28.848 16.694 -2.172 151 H HIS 19 HN HIS 19 28.250 13.234 1.886 152 HA HIS 19 HA HIS 19 30.621 14.006 3.257 153 HB2 HIS 19 HB2 HIS 19 28.566 13.012 4.311 154 HB3 HIS 19 HB1 HIS 19 29.026 11.464 3.606 155 HD2 HIS 19 HD2 HIS 19 31.271 10.220 4.832 156 HE1 HIS 19 HE1 HIS 19 31.748 13.101 7.881 157 HE2 HIS 19 HE2 HIS 19 32.498 10.818 7.059 158 H PHE 20 HN PHE 20 29.740 11.119 1.348 159 HA PHE 20 HA PHE 20 32.332 9.937 1.593 160 HB2 PHE 20 HB2 PHE 20 29.810 9.268 0.322 161 HB3 PHE 20 HB1 PHE 20 31.180 8.894 -0.724 162 HD1 PHE 20 HD1 PHE 20 30.166 8.587 2.890 163 HD2 PHE 20 HD2 PHE 20 32.273 6.859 -0.434 164 HE1 PHE 20 HE1 PHE 20 30.689 6.583 4.258 165 HE2 PHE 20 HE2 PHE 20 32.794 4.858 0.937 166 HZ PHE 20 HZ PHE 20 32.007 4.714 3.286 167 H MET 21 HN MET 21 30.887 12.240 -0.605 168 HA MET 21 HA MET 21 32.715 12.016 -2.744 169 HB2 MET 21 HB2 MET 21 30.788 14.043 -1.754 170 HB3 MET 21 HB1 MET 21 32.050 14.617 -2.846 171 HG2 MET 21 HG2 MET 21 31.449 12.789 -4.436 172 HG3 MET 21 HG1 MET 21 30.121 12.336 -3.370 173 HE1 MET 21 HE1 MET 21 28.950 12.321 -5.380 174 HE2 MET 21 HE2 MET 21 28.475 13.673 -6.402 175 HE3 MET 21 HE3 MET 21 27.591 13.351 -4.913 176 H ALA 22 HN ALA 22 32.692 14.288 0.026 177 HA ALA 22 HA ALA 22 35.193 15.451 -0.621 178 HB1 ALA 22 HB1 ALA 22 33.915 16.751 0.821 179 HB2 ALA 22 HB2 ALA 22 35.099 16.045 1.922 180 HB3 ALA 22 HB3 ALA 22 33.471 15.375 1.829 181 H TRP 23 HN TRP 23 34.264 12.757 1.482 182 HA TRP 23 HA TRP 23 36.764 12.316 2.679 183 HB2 TRP 23 HB2 TRP 23 34.238 11.078 2.678 184 HB3 TRP 23 HB1 TRP 23 35.390 9.834 2.194 185 HD1 TRP 23 HD1 TRP 23 34.305 11.912 5.139 186 HE1 TRP 23 HE1 TRP 23 35.671 11.228 7.218 187 HE3 TRP 23 HE3 TRP 23 37.825 8.932 2.944 188 HZ2 TRP 23 HZ2 TRP 23 37.955 9.626 7.862 189 HZ3 TRP 23 HZ3 TRP 23 39.581 7.841 4.310 190 HH2 TRP 23 HH2 TRP 23 39.651 8.184 6.764 191 H THR 24 HN THR 24 35.348 10.823 -0.234 192 HA THR 24 HA THR 24 37.440 9.130 -0.903 193 HB THR 24 HB THR 24 36.624 9.654 -3.336 194 HG1 THR 24 HG1 THR 24 35.222 11.185 -3.429 195 HG21 THR 24 HG21 THR 24 35.984 7.615 -2.263 196 HG22 THR 24 HG22 THR 24 34.491 8.357 -2.837 197 HG23 THR 24 HG23 THR 24 34.929 8.465 -1.132 198 H ILE 25 HN ILE 25 36.934 12.535 -1.859 199 HA ILE 25 HA ILE 25 39.320 12.744 -3.376 200 HB ILE 25 HB ILE 25 37.645 14.823 -1.968 201 HG12 ILE 25 HG12 ILE 25 38.009 14.206 -4.911 202 HG13 ILE 25 HG11 ILE 25 36.718 13.515 -3.930 203 HG21 ILE 25 HG21 ILE 25 39.884 15.732 -2.140 204 HG22 ILE 25 HG22 ILE 25 38.915 16.442 -3.431 205 HG23 ILE 25 HG23 ILE 25 40.047 15.140 -3.793 206 HD11 ILE 25 HD11 ILE 25 36.105 15.916 -3.296 207 HD12 ILE 25 HD12 ILE 25 35.770 15.445 -4.962 208 HD13 ILE 25 HD13 ILE 25 37.188 16.426 -4.592 209 H GLY 26 HN GLY 26 38.602 13.296 0.021 210 HA2 GLY 26 HA2 GLY 26 41.030 14.478 0.803 211 HA3 GLY 26 HA1 GLY 26 39.974 13.555 1.867 212 H HIS 27 HN HIS 27 40.063 11.043 0.844 213 HA HIS 27 HA HIS 27 42.558 10.061 1.770 214 HB2 HIS 27 HB2 HIS 27 40.405 8.802 1.884 215 HB3 HIS 27 HB1 HIS 27 40.482 8.591 0.135 216 HD2 HIS 27 HD2 HIS 27 42.053 7.059 3.342 217 HE1 HIS 27 HE1 HIS 27 43.960 5.262 0.031 218 HE2 HIS 27 HE2 HIS 27 43.669 5.165 2.553 219 H LEU 28 HN LEU 28 41.207 10.576 -1.451 220 HA LEU 28 HA LEU 28 43.302 9.299 -2.882 221 HB2 LEU 28 HB2 LEU 28 41.232 11.350 -3.662 222 HB3 LEU 28 HB1 LEU 28 42.407 10.706 -4.810 223 HG LEU 28 HG LEU 28 40.633 8.922 -3.129 224 HD11 LEU 28 HD11 LEU 28 39.260 10.422 -4.575 225 HD12 LEU 28 HD12 LEU 28 39.162 8.732 -5.071 226 HD13 LEU 28 HD13 LEU 28 40.170 9.861 -5.977 227 HD21 LEU 28 HD21 LEU 28 42.403 8.560 -5.562 228 HD22 LEU 28 HD22 LEU 28 41.185 7.369 -5.104 229 HD23 LEU 28 HD23 LEU 28 42.514 7.736 -4.007 230 H ASN 29 HN ASN 29 42.799 12.597 -1.761 231 HA ASN 29 HA ASN 29 44.191 14.405 -1.597 232 HB2 ASN 29 HB2 ASN 29 46.056 12.090 -1.575 233 HB3 ASN 29 HB1 ASN 29 46.754 13.678 -1.884 234 HD21 ASN 29 HD21 ASN 29 46.246 11.616 0.606 235 HD22 ASN 29 HD22 ASN 29 45.996 12.722 1.869 236 H GLN 30 HN GLN 30 46.325 12.648 -3.800 237 HA GLN 30 HA GLN 30 46.231 14.842 -5.684 238 HB2 GLN 30 HB2 GLN 30 47.778 12.271 -5.487 239 HB3 GLN 30 HB1 GLN 30 47.812 13.240 -6.962 240 HG2 GLN 30 HG2 GLN 30 48.465 15.221 -5.544 241 HG3 GLN 30 HG1 GLN 30 48.621 14.118 -4.178 242 HE21 GLN 30 HE21 GLN 30 50.989 14.876 -4.287 243 HE22 GLN 30 HE22 GLN 30 52.024 14.057 -5.353 244 H ILE 31 HN ILE 31 45.386 14.807 -7.732 245 HA ILE 31 HA ILE 31 43.096 13.238 -8.218 246 HB ILE 31 HB ILE 31 44.820 14.901 -10.062 247 HG12 ILE 31 HG12 ILE 31 42.033 15.450 -9.032 248 HG13 ILE 31 HG11 ILE 31 43.463 15.921 -8.113 249 HG21 ILE 31 HG21 ILE 31 43.697 13.308 -11.462 250 HG22 ILE 31 HG22 ILE 31 42.754 14.796 -11.547 251 HG23 ILE 31 HG23 ILE 31 42.200 13.459 -10.539 252 HD11 ILE 31 HD11 ILE 31 42.888 16.743 -10.975 253 HD12 ILE 31 HD12 ILE 31 44.271 17.250 -10.007 254 HD13 ILE 31 HD13 ILE 31 42.646 17.766 -9.560 255 H LYS 32 HN LYS 32 46.426 12.981 -9.427 256 HA LYS 32 HA LYS 32 47.551 11.267 -10.460 257 HB2 LYS 32 HB2 LYS 32 45.485 9.827 -8.822 258 HB3 LYS 32 HB1 LYS 32 46.556 8.924 -9.894 259 HG2 LYS 32 HG2 LYS 32 48.504 9.692 -8.760 260 HG3 LYS 32 HG1 LYS 32 47.600 10.935 -7.892 261 HD2 LYS 32 HD2 LYS 32 46.336 9.172 -6.703 262 HD3 LYS 32 HD1 LYS 32 47.269 7.939 -7.552 263 HE2 LYS 32 HE2 LYS 32 49.326 8.699 -6.524 264 HE3 LYS 32 HE1 LYS 32 48.505 10.085 -5.807 265 HZ1 LYS 32 HZ1 LYS 32 48.894 8.008 -4.377 266 HZ2 LYS 32 HZ2 LYS 32 47.589 7.343 -5.236 267 HZ3 LYS 32 HZ3 LYS 32 47.373 8.755 -4.317 268 H ARG 33 HN ARG 33 47.290 11.615 -12.612 269 HA ARG 33 HA ARG 33 45.241 9.996 -13.946 270 HB2 ARG 33 HB2 ARG 33 44.314 11.713 -15.192 271 HB3 ARG 33 HB1 ARG 33 44.608 12.533 -13.663 272 HG2 ARG 33 HG2 ARG 33 46.414 12.635 -16.107 273 HG3 ARG 33 HG1 ARG 33 45.363 13.926 -15.528 274 HD2 ARG 33 HD2 ARG 33 46.634 13.685 -13.288 275 HD3 ARG 33 HD1 ARG 33 47.843 12.824 -14.234 276 HE ARG 33 HE ARG 33 47.244 15.253 -15.534 277 HH11 ARG 33 HH11 ARG 33 48.753 14.066 -12.622 278 HH12 ARG 33 HH12 ARG 33 49.823 15.417 -12.489 279 HH21 ARG 33 HH21 ARG 33 48.645 16.999 -15.332 280 HH22 ARG 33 HH22 ARG 33 49.765 17.069 -14.013 281 H1 MET 1 HT1 MET 1 8.225 -5.521 3.913 282 H2 MET 1 HT2 MET 1 6.556 -5.256 3.727 283 H3 MET 1 HT3 MET 1 7.381 -4.597 5.059 284 HA MET 1 HA MET 1 8.596 -3.104 3.680 285 HB2 MET 1 HB2 MET 1 7.733 -5.016 1.647 286 HB3 MET 1 HB1 MET 1 7.467 -3.346 1.147 287 HG2 MET 1 HG2 MET 1 9.823 -2.817 1.747 288 HG3 MET 1 HG1 MET 1 10.077 -4.513 2.157 289 HE1 MET 1 HE1 MET 1 10.549 -6.257 0.808 290 HE2 MET 1 HE2 MET 1 10.369 -6.427 -0.936 291 HE3 MET 1 HE3 MET 1 8.937 -6.396 0.091 292 H PHE 2 HN PHE 2 5.934 -3.495 5.059 293 HA PHE 2 HA PHE 2 3.955 -2.012 3.656 294 HB2 PHE 2 HB2 PHE 2 4.360 -2.711 6.558 295 HB3 PHE 2 HB1 PHE 2 3.014 -1.705 6.022 296 HD1 PHE 2 HD1 PHE 2 4.322 -5.064 6.272 297 HD2 PHE 2 HD2 PHE 2 1.427 -2.607 4.267 298 HE1 PHE 2 HE1 PHE 2 3.069 -7.095 5.593 299 HE2 PHE 2 HE2 PHE 2 0.173 -4.636 3.588 300 HZ PHE 2 HZ PHE 2 0.995 -6.880 4.251 301 H GLU 3 HN GLU 3 6.433 -1.116 6.037 302 HA GLU 3 HA GLU 3 5.568 1.640 5.959 303 HB2 GLU 3 HB2 GLU 3 7.949 0.446 7.371 304 HB3 GLU 3 HB1 GLU 3 7.279 2.058 7.619 305 HG2 GLU 3 HG2 GLU 3 6.196 0.955 9.324 306 HG3 GLU 3 HG1 GLU 3 5.038 0.689 8.024 307 HA PRO 4 HA PRO 4 8.358 2.422 2.517 308 HB2 PRO 4 HB2 PRO 4 8.097 5.147 2.425 309 HB3 PRO 4 HB1 PRO 4 6.899 4.024 1.756 310 HG2 PRO 4 HG2 PRO 4 6.872 5.505 4.337 311 HG3 PRO 4 HG1 PRO 4 5.545 5.174 3.210 312 HD2 PRO 4 HD2 PRO 4 5.916 3.753 5.516 313 HD3 PRO 4 HD1 PRO 4 5.171 3.053 4.061 314 H PHE 5 HN PHE 5 8.576 4.046 5.627 315 HA PHE 5 HA PHE 5 11.075 5.319 5.276 316 HB2 PHE 5 HB2 PHE 5 10.798 5.959 7.423 317 HB3 PHE 5 HB1 PHE 5 9.206 5.215 7.283 318 HD1 PHE 5 HD1 PHE 5 12.318 5.167 9.016 319 HD2 PHE 5 HD2 PHE 5 9.078 2.646 7.766 320 HE1 PHE 5 HE1 PHE 5 12.955 3.497 10.734 321 HE2 PHE 5 HE2 PHE 5 9.710 0.974 9.485 322 HZ PHE 5 HZ PHE 5 11.651 1.399 10.972 323 H GLN 6 HN GLN 6 10.303 2.004 5.456 324 HA GLN 6 HA GLN 6 12.507 0.945 6.831 325 HB2 GLN 6 HB2 GLN 6 10.514 -0.362 6.125 326 HB3 GLN 6 HB1 GLN 6 11.057 -0.243 4.452 327 HG2 GLN 6 HG2 GLN 6 13.233 -1.319 5.184 328 HG3 GLN 6 HG1 GLN 6 12.477 -1.613 6.750 329 HE21 GLN 6 HE21 GLN 6 12.007 -3.829 6.753 330 HE22 GLN 6 HE22 GLN 6 11.180 -4.634 5.509 331 H ILE 7 HN ILE 7 12.112 1.966 3.468 332 HA ILE 7 HA ILE 7 14.486 0.914 2.423 333 HB ILE 7 HB ILE 7 14.272 2.607 0.659 334 HG12 ILE 7 HG12 ILE 7 12.001 4.039 1.153 335 HG13 ILE 7 HG11 ILE 7 12.695 3.968 2.763 336 HG21 ILE 7 HG21 ILE 7 11.605 1.520 1.607 337 HG22 ILE 7 HG22 ILE 7 12.775 0.652 0.614 338 HG23 ILE 7 HG23 ILE 7 11.957 2.077 -0.028 339 HD11 ILE 7 HD11 ILE 7 14.921 4.676 1.557 340 HD12 ILE 7 HD12 ILE 7 13.693 5.893 1.898 341 HD13 ILE 7 HD13 ILE 7 13.828 5.213 0.280 342 H LEU 8 HN LEU 8 13.894 3.940 4.152 343 HA LEU 8 HA LEU 8 16.516 4.981 3.761 344 HB2 LEU 8 HB2 LEU 8 14.566 6.417 4.267 345 HB3 LEU 8 HB1 LEU 8 14.453 5.680 5.865 346 HG LEU 8 HG LEU 8 16.767 6.466 6.357 347 HD11 LEU 8 HD11 LEU 8 17.745 6.627 4.181 348 HD12 LEU 8 HD12 LEU 8 17.632 8.284 4.774 349 HD13 LEU 8 HD13 LEU 8 16.457 7.684 3.603 350 HD21 LEU 8 HD21 LEU 8 14.920 7.848 7.103 351 HD22 LEU 8 HD22 LEU 8 14.739 8.550 5.497 352 HD23 LEU 8 HD23 LEU 8 16.168 8.916 6.462 353 H SER 9 HN SER 9 14.968 3.010 6.186 354 HA SER 9 HA SER 9 17.024 3.157 8.162 355 HB2 SER 9 HB2 SER 9 14.771 2.403 8.734 356 HB3 SER 9 HB1 SER 9 14.947 1.011 7.668 357 HG SER 9 HG SER 9 16.681 0.327 8.980 358 H ILE 10 HN ILE 10 16.257 0.714 5.682 359 HA ILE 10 HA ILE 10 18.420 -0.998 6.243 360 HB ILE 10 HB ILE 10 16.887 -0.552 3.667 361 HG12 ILE 10 HG12 ILE 10 16.691 -2.823 5.663 362 HG13 ILE 10 HG11 ILE 10 15.688 -1.377 5.780 363 HG21 ILE 10 HG21 ILE 10 18.966 -2.602 4.473 364 HG22 ILE 10 HG22 ILE 10 18.923 -1.604 3.021 365 HG23 ILE 10 HG23 ILE 10 17.779 -2.931 3.211 366 HD11 ILE 10 HD11 ILE 10 15.848 -3.166 3.337 367 HD12 ILE 10 HD12 ILE 10 14.784 -1.776 3.550 368 HD13 ILE 10 HD13 ILE 10 14.556 -3.220 4.536 369 H CYS 11 HN CYS 11 18.095 1.711 3.959 370 HA CYS 11 HA CYS 11 20.609 1.444 2.723 371 HB2 CYS 11 HB2 CYS 11 18.847 3.850 3.207 372 HB3 CYS 11 HB1 CYS 11 20.332 3.919 2.257 373 HG CYS 11 HG CYS 11 19.276 2.229 0.563 374 H SER 12 HN SER 12 19.625 3.465 5.515 375 HA SER 12 HA SER 12 22.141 4.584 6.009 376 HB2 SER 12 HB2 SER 12 20.097 5.426 7.059 377 HB3 SER 12 HB1 SER 12 19.927 3.927 7.968 378 HG SER 12 HG SER 12 21.835 4.402 9.037 379 H PHE 13 HN PHE 13 20.662 1.595 7.235 380 HA PHE 13 HA PHE 13 22.662 0.878 9.044 381 HB2 PHE 13 HB2 PHE 13 20.511 -0.270 8.950 382 HB3 PHE 13 HB1 PHE 13 20.888 -0.890 7.342 383 HD1 PHE 13 HD1 PHE 13 22.336 -0.783 10.801 384 HD2 PHE 13 HD2 PHE 13 21.858 -3.006 7.157 385 HE1 PHE 13 HE1 PHE 13 23.503 -2.715 11.827 386 HE2 PHE 13 HE2 PHE 13 23.026 -4.938 8.183 387 HZ PHE 13 HZ PHE 13 23.847 -4.793 10.518 388 H ILE 14 HN ILE 14 22.313 0.044 5.600 389 HA ILE 14 HA ILE 14 24.634 -1.534 5.392 390 HB ILE 14 HB ILE 14 23.163 0.118 3.323 391 HG12 ILE 14 HG12 ILE 14 22.072 -1.886 4.564 392 HG13 ILE 14 HG11 ILE 14 22.007 -1.880 2.803 393 HG21 ILE 14 HG21 ILE 14 25.312 -0.193 2.385 394 HG22 ILE 14 HG22 ILE 14 24.378 -1.541 1.743 395 HG23 ILE 14 HG23 ILE 14 25.491 -1.801 3.088 396 HD11 ILE 14 HD11 ILE 14 22.745 -4.062 4.036 397 HD12 ILE 14 HD12 ILE 14 24.295 -3.240 4.226 398 HD13 ILE 14 HD13 ILE 14 23.647 -3.547 2.614 399 H LEU 15 HN LEU 15 24.117 1.922 4.778 400 HA LEU 15 HA LEU 15 26.765 2.505 3.951 401 HB2 LEU 15 HB2 LEU 15 24.585 4.250 5.122 402 HB3 LEU 15 HB1 LEU 15 26.097 4.876 4.465 403 HG LEU 15 HG LEU 15 24.262 3.084 2.861 404 HD11 LEU 15 HD11 LEU 15 22.992 5.084 3.485 405 HD12 LEU 15 HD12 LEU 15 23.453 5.182 1.786 406 HD13 LEU 15 HD13 LEU 15 24.335 6.116 2.994 407 HD21 LEU 15 HD21 LEU 15 26.537 3.244 2.012 408 HD22 LEU 15 HD22 LEU 15 26.514 5.000 2.177 409 HD23 LEU 15 HD23 LEU 15 25.490 4.215 0.976 410 H SER 16 HN SER 16 25.268 2.196 7.070 411 HA SER 16 HA SER 16 27.266 3.589 8.580 412 HB2 SER 16 HB2 SER 16 24.979 3.244 9.434 413 HB3 SER 16 HB1 SER 16 25.261 1.506 9.470 414 HG SER 16 HG SER 16 26.482 1.732 11.189 415 H ALA 17 HN ALA 17 26.616 0.168 7.882 416 HA ALA 17 HA ALA 17 28.787 -0.864 9.394 417 HB1 ALA 17 HB1 ALA 17 27.003 -2.354 8.830 418 HB2 ALA 17 HB2 ALA 17 28.422 -2.916 7.948 419 HB3 ALA 17 HB3 ALA 17 27.167 -2.004 7.110 420 H LEU 18 HN LEU 18 28.440 0.167 6.012 421 HA LEU 18 HA LEU 18 31.032 -0.739 5.228 422 HB2 LEU 18 HB2 LEU 18 28.963 1.077 4.014 423 HB3 LEU 18 HB1 LEU 18 30.548 0.869 3.269 424 HG LEU 18 HG LEU 18 28.874 -1.519 4.043 425 HD11 LEU 18 HD11 LEU 18 27.484 -0.113 2.569 426 HD12 LEU 18 HD12 LEU 18 28.034 -1.553 1.715 427 HD13 LEU 18 HD13 LEU 18 28.813 0.000 1.416 428 HD21 LEU 18 HD21 LEU 18 31.012 -1.033 1.942 429 HD22 LEU 18 HD22 LEU 18 30.227 -2.577 2.266 430 HD23 LEU 18 HD23 LEU 18 31.267 -1.845 3.486 431 H HIS 19 HN HIS 19 29.760 2.207 6.665 432 HA HIS 19 HA HIS 19 31.960 3.892 6.028 433 HB2 HIS 19 HB2 HIS 19 29.691 4.657 6.789 434 HB3 HIS 19 HB1 HIS 19 30.110 4.093 8.406 435 HD2 HIS 19 HD2 HIS 19 32.026 5.696 9.764 436 HE1 HIS 19 HE1 HIS 19 32.302 8.666 6.776 437 HE2 HIS 19 HE2 HIS 19 32.956 8.059 9.154 438 H PHE 20 HN PHE 20 31.119 1.980 8.923 439 HA PHE 20 HA PHE 20 33.527 2.669 10.306 440 HB2 PHE 20 HB2 PHE 20 31.174 1.052 10.820 441 HB3 PHE 20 HB1 PHE 20 32.645 0.244 11.362 442 HD1 PHE 20 HD1 PHE 20 31.077 3.665 11.393 443 HD2 PHE 20 HD2 PHE 20 33.492 0.775 13.461 444 HE1 PHE 20 HE1 PHE 20 31.202 5.174 13.359 445 HE2 PHE 20 HE2 PHE 20 33.615 2.283 15.425 446 HZ PHE 20 HZ PHE 20 32.469 4.477 15.372 447 H MET 21 HN MET 21 32.639 0.188 8.009 448 HA MET 21 HA MET 21 34.736 -1.636 8.491 449 HB2 MET 21 HB2 MET 21 32.871 -1.026 6.264 450 HB3 MET 21 HB1 MET 21 34.329 -1.933 5.850 451 HG2 MET 21 HG2 MET 21 33.812 -3.527 7.705 452 HG3 MET 21 HG1 MET 21 32.304 -2.661 7.989 453 HE1 MET 21 HE1 MET 21 31.450 -4.825 8.012 454 HE2 MET 21 HE2 MET 21 31.256 -5.959 6.680 455 HE3 MET 21 HE3 MET 21 30.136 -4.612 6.849 456 H ALA 22 HN ALA 22 34.503 1.001 6.088 457 HA ALA 22 HA ALA 22 37.169 0.707 5.168 458 HB1 ALA 22 HB1 ALA 22 35.813 1.884 3.694 459 HB2 ALA 22 HB2 ALA 22 36.750 3.180 4.437 460 HB3 ALA 22 HB3 ALA 22 35.099 2.867 4.974 461 H TRP 23 HN TRP 23 35.699 2.744 7.667 462 HA TRP 23 HA TRP 23 37.943 4.328 8.250 463 HB2 TRP 23 HB2 TRP 23 35.345 3.988 9.273 464 HB3 TRP 23 HB1 TRP 23 36.439 3.734 10.632 465 HD1 TRP 23 HD1 TRP 23 35.119 6.396 8.321 466 HE1 TRP 23 HE1 TRP 23 36.093 8.684 9.007 467 HE3 TRP 23 HE3 TRP 23 38.643 4.880 11.691 468 HZ2 TRP 23 HZ2 TRP 23 38.102 9.732 10.758 469 HZ3 TRP 23 HZ3 TRP 23 40.071 6.535 12.856 470 HH2 TRP 23 HH2 TRP 23 39.806 8.961 12.391 471 H THR 24 HN THR 24 36.850 1.290 9.766 472 HA THR 24 HA THR 24 38.855 1.017 11.664 473 HB THR 24 HB THR 24 38.462 -1.530 11.200 474 HG1 THR 24 HG1 THR 24 37.233 -1.895 9.564 475 HG21 THR 24 HG21 THR 24 37.486 -0.489 13.119 476 HG22 THR 24 HG22 THR 24 36.170 -1.315 12.286 477 HG23 THR 24 HG23 THR 24 36.356 0.432 12.127 478 H ILE 25 HN ILE 25 38.806 -0.140 8.283 479 HA ILE 25 HA ILE 25 41.401 -1.279 8.353 480 HB ILE 25 HB ILE 25 39.729 -0.224 6.071 481 HG12 ILE 25 HG12 ILE 25 40.471 -3.052 6.867 482 HG13 ILE 25 HG11 ILE 25 38.990 -2.253 7.398 483 HG21 ILE 25 HG21 ILE 25 42.040 -0.086 5.360 484 HG22 ILE 25 HG22 ILE 25 41.344 -1.538 4.642 485 HG23 ILE 25 HG23 ILE 25 42.394 -1.670 6.051 486 HD11 ILE 25 HD11 ILE 25 38.510 -1.813 4.923 487 HD12 ILE 25 HD12 ILE 25 38.384 -3.492 5.452 488 HD13 ILE 25 HD13 ILE 25 39.814 -2.948 4.573 489 H GLY 26 HN GLY 26 40.238 1.939 7.570 490 HA2 GLY 26 HA2 GLY 26 42.617 3.043 6.551 491 HA3 GLY 26 HA1 GLY 26 41.334 3.968 7.326 492 H HIS 27 HN HIS 27 41.350 3.067 9.887 493 HA HIS 27 HA HIS 27 43.580 4.406 11.023 494 HB2 HIS 27 HB2 HIS 27 41.329 4.235 12.092 495 HB3 HIS 27 HB1 HIS 27 41.647 2.528 12.399 496 HD2 HIS 27 HD2 HIS 27 42.576 5.995 13.889 497 HE1 HIS 27 HE1 HIS 27 44.788 3.088 16.007 498 HE2 HIS 27 HE2 HIS 27 44.114 5.536 15.949 499 H LEU 28 HN LEU 28 42.777 0.996 10.566 500 HA LEU 28 HA LEU 28 44.937 -0.046 12.090 501 HB2 LEU 28 HB2 LEU 28 43.200 -1.213 9.916 502 HB3 LEU 28 HB1 LEU 28 44.470 -2.142 10.715 503 HG LEU 28 HG LEU 28 42.311 -0.683 12.254 504 HD11 LEU 28 HD11 LEU 28 41.310 -2.380 10.722 505 HD12 LEU 28 HD12 LEU 28 41.135 -2.818 12.421 506 HD13 LEU 28 HD13 LEU 28 42.365 -3.604 11.431 507 HD21 LEU 28 HD21 LEU 28 44.384 -2.802 12.889 508 HD22 LEU 28 HD22 LEU 28 43.008 -2.490 13.947 509 HD23 LEU 28 HD23 LEU 28 44.186 -1.216 13.638 510 H ASN 29 HN ASN 29 44.572 0.856 8.708 511 HA ASN 29 HA ASN 29 46.083 1.159 7.015 512 HB2 ASN 29 HB2 ASN 29 47.709 1.555 9.472 513 HB3 ASN 29 HB1 ASN 29 48.584 1.296 7.965 514 HD21 ASN 29 HD21 ASN 29 47.524 3.756 9.847 515 HD22 ASN 29 HD22 ASN 29 47.190 4.923 8.661 516 H GLN 30 HN GLN 30 48.355 -0.620 9.056 517 HA GLN 30 HA GLN 30 48.740 -2.581 6.964 518 HB2 GLN 30 HB2 GLN 30 50.001 -2.050 9.641 519 HB3 GLN 30 HB1 GLN 30 50.342 -3.539 8.756 520 HG2 GLN 30 HG2 GLN 30 50.954 -2.116 6.765 521 HG3 GLN 30 HG1 GLN 30 50.803 -0.700 7.804 522 HE21 GLN 30 HE21 GLN 30 53.221 -0.473 7.254 523 HE22 GLN 30 HE22 GLN 30 54.324 -1.337 8.211 524 H ILE 31 HN ILE 31 48.206 -4.729 7.032 525 HA ILE 31 HA ILE 31 45.885 -5.500 8.427 526 HB ILE 31 HB ILE 31 48.007 -7.122 7.015 527 HG12 ILE 31 HG12 ILE 31 45.158 -6.550 6.180 528 HG13 ILE 31 HG11 ILE 31 46.475 -5.445 5.782 529 HG21 ILE 31 HG21 ILE 31 46.964 -8.616 8.578 530 HG22 ILE 31 HG22 ILE 31 46.181 -8.899 7.023 531 HG23 ILE 31 HG23 ILE 31 45.368 -7.936 8.257 532 HD11 ILE 31 HD11 ILE 31 46.405 -8.393 5.070 533 HD12 ILE 31 HD12 ILE 31 47.671 -7.247 4.628 534 HD13 ILE 31 HD13 ILE 31 46.051 -7.073 3.955 535 H LYS 32 HN LYS 32 49.320 -6.174 9.025 536 HA LYS 32 HA LYS 32 50.426 -6.956 10.878 537 HB2 LYS 32 HB2 LYS 32 48.018 -5.598 12.055 538 HB3 LYS 32 HB1 LYS 32 49.150 -6.458 13.098 539 HG2 LYS 32 HG2 LYS 32 50.970 -5.071 12.437 540 HG3 LYS 32 HG1 LYS 32 50.064 -4.400 11.080 541 HD2 LYS 32 HD2 LYS 32 48.482 -3.351 12.668 542 HD3 LYS 32 HD1 LYS 32 49.417 -3.999 14.017 543 HE2 LYS 32 HE2 LYS 32 51.356 -2.698 13.377 544 HE3 LYS 32 HE1 LYS 32 50.566 -2.169 11.893 545 HZ1 LYS 32 HZ1 LYS 32 50.550 -0.618 13.920 546 HZ2 LYS 32 HZ2 LYS 32 49.332 -1.642 14.517 547 HZ3 LYS 32 HZ3 LYS 32 49.110 -0.820 13.046 548 H ARG 33 HN ARG 33 50.524 -9.134 10.627 549 HA ARG 33 HA ARG 33 48.558 -10.702 12.133 550 HB2 ARG 33 HB2 ARG 33 47.985 -12.141 10.413 551 HB3 ARG 33 HB1 ARG 33 48.122 -10.618 9.542 552 HG2 ARG 33 HG2 ARG 33 50.273 -12.759 9.719 553 HG3 ARG 33 HG1 ARG 33 49.269 -12.400 8.316 554 HD2 ARG 33 HD2 ARG 33 50.164 -9.983 8.544 555 HD3 ARG 33 HD1 ARG 33 51.418 -10.698 9.551 556 HE ARG 33 HE ARG 33 51.241 -12.170 7.153 557 HH11 ARG 33 HH11 ARG 33 52.186 -9.016 8.306 558 HH12 ARG 33 HH12 ARG 33 53.342 -8.774 7.043 559 HH21 ARG 33 HH21 ARG 33 52.749 -11.824 5.521 560 HH22 ARG 33 HH22 ARG 33 53.661 -10.352 5.474 561 H1 MET 1 HT1 MET 1 8.246 0.599 23.644 562 H2 MET 1 HT2 MET 1 6.650 0.172 23.245 563 H3 MET 1 HT3 MET 1 7.286 1.660 22.732 564 HA MET 1 HA MET 1 8.803 0.602 21.253 565 HB2 MET 1 HB2 MET 1 8.159 -1.675 22.966 566 HB3 MET 1 HB1 MET 1 8.086 -2.088 21.253 567 HG2 MET 1 HG2 MET 1 10.343 -1.089 20.942 568 HG3 MET 1 HG1 MET 1 10.416 -0.767 22.674 569 HE1 MET 1 HE1 MET 1 10.989 -2.149 24.364 570 HE2 MET 1 HE2 MET 1 11.083 -3.907 24.412 571 HE3 MET 1 HE3 MET 1 9.509 -3.118 24.337 572 H PHE 2 HN PHE 2 5.934 1.513 21.526 573 HA PHE 2 HA PHE 2 4.309 -0.072 19.816 574 HB2 PHE 2 HB2 PHE 2 4.193 2.799 20.719 575 HB3 PHE 2 HB1 PHE 2 3.020 2.132 19.585 576 HD1 PHE 2 HD1 PHE 2 4.049 2.343 23.042 577 HD2 PHE 2 HD2 PHE 2 1.683 0.089 20.256 578 HE1 PHE 2 HE1 PHE 2 2.795 1.331 24.927 579 HE2 PHE 2 HE2 PHE 2 0.428 -0.924 22.140 580 HZ PHE 2 HZ PHE 2 0.984 -0.303 24.476 581 H GLU 3 HN GLU 3 6.420 2.729 19.256 582 HA GLU 3 HA GLU 3 5.758 2.716 16.443 583 HB2 GLU 3 HB2 GLU 3 7.797 4.395 17.897 584 HB3 GLU 3 HB1 GLU 3 7.201 4.650 16.257 585 HG2 GLU 3 HG2 GLU 3 5.788 6.080 17.381 586 HG3 GLU 3 HG1 GLU 3 4.841 4.598 17.478 587 HA PRO 4 HA PRO 4 9.115 -0.178 15.662 588 HB2 PRO 4 HB2 PRO 4 9.045 -0.112 12.924 589 HB3 PRO 4 HB1 PRO 4 7.902 -1.040 13.911 590 HG2 PRO 4 HG2 PRO 4 7.553 1.606 12.594 591 HG3 PRO 4 HG1 PRO 4 6.407 0.262 12.754 592 HD2 PRO 4 HD2 PRO 4 6.308 2.489 14.339 593 HD3 PRO 4 HD1 PRO 4 5.767 0.888 14.890 594 H PHE 5 HN PHE 5 8.929 3.039 14.256 595 HA PHE 5 HA PHE 5 11.525 3.176 13.150 596 HB2 PHE 5 HB2 PHE 5 10.946 5.294 12.625 597 HB3 PHE 5 HB1 PHE 5 9.354 4.852 13.238 598 HD1 PHE 5 HD1 PHE 5 12.135 7.044 13.626 599 HD2 PHE 5 HD2 PHE 5 8.984 5.118 15.813 600 HE1 PHE 5 HE1 PHE 5 12.376 8.713 15.444 601 HE2 PHE 5 HE2 PHE 5 9.222 6.786 17.633 602 HZ PHE 5 HZ PHE 5 10.919 8.584 17.447 603 H GLN 6 HN GLN 6 10.520 2.996 16.405 604 HA GLN 6 HA GLN 6 12.406 4.615 17.707 605 HB2 GLN 6 HB2 GLN 6 10.472 3.513 18.816 606 HB3 GLN 6 HB1 GLN 6 11.286 1.958 18.637 607 HG2 GLN 6 HG2 GLN 6 13.241 2.944 19.915 608 HG3 GLN 6 HG1 GLN 6 12.225 4.345 20.247 609 HE21 GLN 6 HE21 GLN 6 11.619 4.114 22.416 610 HE22 GLN 6 HE22 GLN 6 10.954 2.701 23.080 611 H ILE 7 HN ILE 7 12.630 1.313 16.449 612 HA ILE 7 HA ILE 7 15.065 0.583 17.617 613 HB ILE 7 HB ILE 7 15.251 -1.065 15.808 614 HG12 ILE 7 HG12 ILE 7 13.024 -0.833 14.246 615 HG13 ILE 7 HG11 ILE 7 13.443 0.858 14.467 616 HG21 ILE 7 HG21 ILE 7 12.401 -0.634 16.753 617 HG22 ILE 7 HG22 ILE 7 13.661 -1.489 17.642 618 HG23 ILE 7 HG23 ILE 7 13.051 -2.148 16.124 619 HD11 ILE 7 HD11 ILE 7 15.875 0.071 13.853 620 HD12 ILE 7 HD12 ILE 7 14.686 0.304 12.570 621 HD13 ILE 7 HD13 ILE 7 15.040 -1.319 13.157 622 H LEU 8 HN LEU 8 14.398 2.420 14.659 623 HA LEU 8 HA LEU 8 17.110 2.514 13.806 624 HB2 LEU 8 HB2 LEU 8 15.201 2.809 12.261 625 HB3 LEU 8 HB1 LEU 8 14.781 4.312 13.082 626 HG LEU 8 HG LEU 8 17.031 5.219 12.503 627 HD11 LEU 8 HD11 LEU 8 18.357 3.243 12.281 628 HD12 LEU 8 HD12 LEU 8 18.253 3.929 10.659 629 HD13 LEU 8 HD13 LEU 8 17.249 2.547 11.098 630 HD21 LEU 8 HD21 LEU 8 15.178 5.763 11.037 631 HD22 LEU 8 HD22 LEU 8 15.304 4.203 10.224 632 HD23 LEU 8 HD23 LEU 8 16.578 5.406 10.027 633 H SER 9 HN SER 9 15.063 4.524 15.797 634 HA SER 9 HA SER 9 16.780 6.798 15.926 635 HB2 SER 9 HB2 SER 9 14.420 6.954 16.543 636 HB3 SER 9 HB1 SER 9 14.675 5.830 17.874 637 HG SER 9 HG SER 9 16.127 7.344 18.767 638 H ILE 10 HN ILE 10 16.268 4.057 18.146 639 HA ILE 10 HA ILE 10 18.198 4.825 20.048 640 HB ILE 10 HB ILE 10 17.134 2.080 19.333 641 HG12 ILE 10 HG12 ILE 10 16.473 3.850 21.702 642 HG13 ILE 10 HG11 ILE 10 15.557 3.912 20.194 643 HG21 ILE 10 HG21 ILE 10 18.921 3.053 21.576 644 HG22 ILE 10 HG22 ILE 10 19.176 1.687 20.490 645 HG23 ILE 10 HG23 ILE 10 17.935 1.599 21.739 646 HD11 ILE 10 HD11 ILE 10 15.999 1.401 21.834 647 HD12 ILE 10 HD12 ILE 10 15.003 1.544 20.387 648 HD13 ILE 10 HD13 ILE 10 14.530 2.374 21.868 649 H CYS 11 HN CYS 11 18.424 2.718 17.179 650 HA CYS 11 HA CYS 11 21.079 1.879 17.568 651 HB2 CYS 11 HB2 CYS 11 19.423 2.256 15.069 652 HB3 CYS 11 HB1 CYS 11 21.042 1.555 15.055 653 HG CYS 11 HG CYS 11 20.162 -0.401 16.548 654 H SER 12 HN SER 12 19.790 4.620 15.643 655 HA SER 12 HA SER 12 22.258 5.584 14.761 656 HB2 SER 12 HB2 SER 12 20.131 6.358 13.831 657 HB3 SER 12 HB1 SER 12 19.716 7.116 15.365 658 HG SER 12 HG SER 12 21.456 8.503 15.106 659 H PHE 13 HN PHE 13 20.408 6.346 17.698 660 HA PHE 13 HA PHE 13 22.042 8.387 18.674 661 HB2 PHE 13 HB2 PHE 13 19.864 7.871 19.650 662 HB3 PHE 13 HB1 PHE 13 20.458 6.303 20.196 663 HD1 PHE 13 HD1 PHE 13 21.332 9.945 20.407 664 HD2 PHE 13 HD2 PHE 13 21.306 6.121 22.364 665 HE1 PHE 13 HE1 PHE 13 22.190 11.000 22.480 666 HE2 PHE 13 HE2 PHE 13 22.166 7.176 24.436 667 HZ PHE 13 HZ PHE 13 22.608 9.615 24.495 668 H ILE 14 HN ILE 14 22.202 4.878 19.262 669 HA ILE 14 HA ILE 14 24.420 4.923 20.995 670 HB ILE 14 HB ILE 14 23.412 2.774 19.116 671 HG12 ILE 14 HG12 ILE 14 22.009 3.680 21.104 672 HG13 ILE 14 HG11 ILE 14 22.230 1.936 20.986 673 HG21 ILE 14 HG21 ILE 14 25.662 2.170 19.528 674 HG22 ILE 14 HG22 ILE 14 24.759 1.289 20.758 675 HG23 ILE 14 HG23 ILE 14 25.618 2.770 21.186 676 HD11 ILE 14 HD11 ILE 14 22.619 3.111 23.288 677 HD12 ILE 14 HD12 ILE 14 24.166 3.599 22.596 678 HD13 ILE 14 HD13 ILE 14 23.769 1.887 22.757 679 H LEU 15 HN LEU 15 24.233 4.489 17.468 680 HA LEU 15 HA LEU 15 27.009 4.134 17.047 681 HB2 LEU 15 HB2 LEU 15 24.784 5.073 15.219 682 HB3 LEU 15 HB1 LEU 15 26.420 4.710 14.669 683 HG LEU 15 HG LEU 15 24.760 2.710 16.217 684 HD11 LEU 15 HD11 LEU 15 23.535 3.268 14.170 685 HD12 LEU 15 HD12 LEU 15 24.270 1.673 14.004 686 HD13 LEU 15 HD13 LEU 15 25.003 3.069 13.213 687 HD21 LEU 15 HD21 LEU 15 27.147 2.245 16.174 688 HD22 LEU 15 HD22 LEU 15 27.210 2.531 14.436 689 HD23 LEU 15 HD23 LEU 15 26.347 1.129 15.067 690 H SER 16 HN SER 16 25.007 6.955 17.423 691 HA SER 16 HA SER 16 26.824 8.851 16.288 692 HB2 SER 16 HB2 SER 16 24.413 9.311 16.514 693 HB3 SER 16 HB1 SER 16 24.571 9.259 18.267 694 HG SER 16 HG SER 16 25.510 11.162 18.243 695 H ALA 17 HN ALA 17 26.075 7.819 19.605 696 HA ALA 17 HA ALA 17 27.907 9.569 20.886 697 HB1 ALA 17 HB1 ALA 17 26.145 8.628 22.201 698 HB2 ALA 17 HB2 ALA 17 27.650 7.940 22.812 699 HB3 ALA 17 HB3 ALA 17 26.605 6.984 21.759 700 H LEU 18 HN LEU 18 28.182 6.254 19.621 701 HA LEU 18 HA LEU 18 30.800 5.828 20.676 702 HB2 LEU 18 HB2 LEU 18 29.077 4.440 18.637 703 HB3 LEU 18 HB1 LEU 18 30.745 3.941 18.919 704 HG LEU 18 HG LEU 18 28.814 4.263 21.216 705 HD11 LEU 18 HD11 LEU 18 27.776 2.697 19.619 706 HD12 LEU 18 HD12 LEU 18 28.363 1.836 21.041 707 HD13 LEU 18 HD13 LEU 18 29.280 1.778 19.536 708 HD21 LEU 18 HD21 LEU 18 31.291 2.565 20.765 709 HD22 LEU 18 HD22 LEU 18 30.365 2.650 22.263 710 HD23 LEU 18 HD23 LEU 18 31.241 4.067 21.686 711 H HIS 19 HN HIS 19 29.503 7.265 17.741 712 HA HIS 19 HA HIS 19 31.879 7.098 16.186 713 HB2 HIS 19 HB2 HIS 19 29.570 7.546 15.301 714 HB3 HIS 19 HB1 HIS 19 29.683 9.164 15.992 715 HD2 HIS 19 HD2 HIS 19 31.453 10.920 14.623 716 HE1 HIS 19 HE1 HIS 19 32.398 8.236 11.505 717 HE2 HIS 19 HE2 HIS 19 32.619 10.637 12.303 718 H PHE 20 HN PHE 20 30.457 9.683 18.193 719 HA PHE 20 HA PHE 20 32.650 11.469 17.783 720 HB2 PHE 20 HB2 PHE 20 30.144 11.490 19.246 721 HB3 PHE 20 HB1 PHE 20 31.452 12.197 20.193 722 HD1 PHE 20 HD1 PHE 20 30.125 12.227 16.671 723 HD2 PHE 20 HD2 PHE 20 31.981 14.438 19.855 724 HE1 PHE 20 HE1 PHE 20 30.037 14.289 15.295 725 HE2 PHE 20 HE2 PHE 20 31.891 16.498 18.477 726 HZ PHE 20 HZ PHE 20 30.924 16.425 16.193 727 H MET 21 HN MET 21 31.988 8.885 20.045 728 HA MET 21 HA MET 21 33.861 9.562 22.044 729 HB2 MET 21 HB2 MET 21 32.427 7.115 21.171 730 HB3 MET 21 HB1 MET 21 33.871 6.878 22.159 731 HG2 MET 21 HG2 MET 21 32.956 8.505 23.816 732 HG3 MET 21 HG1 MET 21 31.481 8.610 22.856 733 HE1 MET 21 HE1 MET 21 30.494 8.340 24.945 734 HE2 MET 21 HE2 MET 21 30.448 6.915 25.978 735 HE3 MET 21 HE3 MET 21 29.404 7.001 24.563 736 H ALA 22 HN ALA 22 34.193 7.345 19.248 737 HA ALA 22 HA ALA 22 36.946 6.842 19.694 738 HB1 ALA 22 HB1 ALA 22 35.928 5.262 18.328 739 HB2 ALA 22 HB2 ALA 22 36.814 6.236 17.156 740 HB3 ALA 22 HB3 ALA 22 35.082 6.480 17.376 741 H TRP 23 HN TRP 23 35.222 9.213 17.705 742 HA TRP 23 HA TRP 23 37.438 10.258 16.333 743 HB2 TRP 23 HB2 TRP 23 34.693 10.835 16.540 744 HB3 TRP 23 HB1 TRP 23 35.536 12.325 16.959 745 HD1 TRP 23 HD1 TRP 23 34.780 10.035 14.070 746 HE1 TRP 23 HE1 TRP 23 35.774 11.028 11.907 747 HE3 TRP 23 HE3 TRP 23 37.607 13.801 16.046 748 HZ2 TRP 23 HZ2 TRP 23 37.535 13.145 11.120 749 HZ3 TRP 23 HZ3 TRP 23 38.931 15.288 14.571 750 HH2 TRP 23 HH2 TRP 23 38.899 14.965 12.113 751 H THR 24 HN THR 24 35.918 11.367 19.365 752 HA THR 24 HA THR 24 37.572 13.525 19.907 753 HB THR 24 HB THR 24 37.096 12.821 22.384 754 HG1 THR 24 HG1 THR 24 36.127 10.989 22.556 755 HG21 THR 24 HG21 THR 24 35.892 14.634 21.392 756 HG22 THR 24 HG22 THR 24 34.676 13.546 22.063 757 HG23 THR 24 HG23 THR 24 34.998 13.545 20.329 758 H ILE 25 HN ILE 25 37.995 10.104 20.848 759 HA ILE 25 HA ILE 25 40.468 10.497 22.178 760 HB ILE 25 HB ILE 25 39.260 8.062 20.865 761 HG12 ILE 25 HG12 ILE 25 39.679 8.759 23.782 762 HG13 ILE 25 HG11 ILE 25 38.186 9.107 22.910 763 HG21 ILE 25 HG21 ILE 25 41.660 7.739 20.857 764 HG22 ILE 25 HG22 ILE 25 40.997 6.814 22.205 765 HG23 ILE 25 HG23 ILE 25 41.794 8.358 22.504 766 HD11 ILE 25 HD11 ILE 25 38.142 6.626 22.285 767 HD12 ILE 25 HD12 ILE 25 37.827 7.006 23.978 768 HD13 ILE 25 HD13 ILE 25 39.411 6.404 23.490 769 H GLY 26 HN GLY 26 39.656 9.775 18.834 770 HA2 GLY 26 HA2 GLY 26 42.236 9.229 17.859 771 HA3 GLY 26 HA1 GLY 26 40.908 9.857 16.889 772 H HIS 27 HN HIS 27 40.447 12.317 17.940 773 HA HIS 27 HA HIS 27 42.546 13.883 16.850 774 HB2 HIS 27 HB2 HIS 27 40.145 14.568 16.915 775 HB3 HIS 27 HB1 HIS 27 40.299 14.798 18.657 776 HD2 HIS 27 HD2 HIS 27 41.195 16.661 15.368 777 HE1 HIS 27 HE1 HIS 27 42.841 18.886 18.556 778 HE2 HIS 27 HE2 HIS 27 42.347 18.899 16.065 779 H LEU 28 HN LEU 28 41.607 13.062 20.155 780 HA LEU 28 HA LEU 28 43.424 14.821 21.447 781 HB2 LEU 28 HB2 LEU 28 41.990 12.323 22.345 782 HB3 LEU 28 HB1 LEU 28 43.052 13.243 23.414 783 HG LEU 28 HG LEU 28 40.771 14.524 21.895 784 HD11 LEU 28 HD11 LEU 28 39.924 12.736 23.414 785 HD12 LEU 28 HD12 LEU 28 39.448 14.349 23.943 786 HD13 LEU 28 HD13 LEU 28 40.769 13.510 24.754 787 HD21 LEU 28 HD21 LEU 28 42.573 15.322 24.196 788 HD22 LEU 28 HD22 LEU 28 41.067 16.170 23.850 789 HD23 LEU 28 HD23 LEU 28 42.358 16.143 22.651 790 H ASN 29 HN ASN 29 43.671 11.499 20.313 791 HA ASN 29 HA ASN 29 45.451 10.092 20.021 792 HB2 ASN 29 HB2 ASN 29 46.678 12.797 19.898 793 HB3 ASN 29 HB1 ASN 29 47.769 11.432 20.130 794 HD21 ASN 29 HD21 ASN 29 46.579 13.295 17.716 795 HD22 ASN 29 HD22 ASN 29 46.517 12.159 16.458 796 H GLN 30 HN GLN 30 47.243 12.331 22.089 797 HA GLN 30 HA GLN 30 47.836 10.188 23.940 798 HB2 GLN 30 HB2 GLN 30 48.678 13.061 23.670 799 HB3 GLN 30 HB1 GLN 30 49.062 12.136 25.122 800 HG2 GLN 30 HG2 GLN 30 50.079 10.375 23.630 801 HG3 GLN 30 HG1 GLN 30 49.852 11.476 22.273 802 HE21 GLN 30 HE21 GLN 30 52.336 11.331 22.197 803 HE22 GLN 30 HE22 GLN 30 53.213 12.385 23.197 804 H ILE 31 HN ILE 31 47.165 10.019 26.046 805 HA ILE 31 HA ILE 31 44.602 10.969 26.721 806 HB ILE 31 HB ILE 31 46.815 9.793 28.408 807 HG12 ILE 31 HG12 ILE 31 44.182 8.565 27.576 808 HG13 ILE 31 HG11 ILE 31 45.611 8.463 26.548 809 HG21 ILE 31 HG21 ILE 31 45.441 11.061 29.912 810 HG22 ILE 31 HG22 ILE 31 44.906 9.386 30.042 811 HG23 ILE 31 HG23 ILE 31 43.964 10.542 29.099 812 HD11 ILE 31 HD11 ILE 31 45.474 7.533 29.432 813 HD12 ILE 31 HD12 ILE 31 46.864 7.382 28.357 814 HD13 ILE 31 HD13 ILE 31 45.388 6.477 28.022 815 H LYS 32 HN LYS 32 47.845 12.052 27.684 816 HA LYS 32 HA LYS 32 48.583 13.992 28.661 817 HB2 LYS 32 HB2 LYS 32 46.108 14.872 27.203 818 HB3 LYS 32 HB1 LYS 32 47.001 16.014 28.207 819 HG2 LYS 32 HG2 LYS 32 48.988 15.750 26.920 820 HG3 LYS 32 HG1 LYS 32 48.357 14.319 26.102 821 HD2 LYS 32 HD2 LYS 32 46.610 15.708 25.037 822 HD3 LYS 32 HD1 LYS 32 47.269 17.138 25.833 823 HE2 LYS 32 HE2 LYS 32 49.367 16.909 24.646 824 HE3 LYS 32 HE1 LYS 32 48.865 15.360 23.969 825 HZ1 LYS 32 HZ1 LYS 32 48.617 17.464 22.547 826 HZ2 LYS 32 HZ2 LYS 32 47.256 17.788 23.511 827 HZ3 LYS 32 HZ3 LYS 32 47.328 16.363 22.589 828 H ARG 33 HN ARG 33 48.580 13.599 30.821 829 HA ARG 33 HA ARG 33 46.299 14.661 32.327 830 HB2 ARG 33 HB2 ARG 33 45.922 12.772 33.610 831 HB3 ARG 33 HB1 ARG 33 46.296 12.046 32.052 832 HG2 ARG 33 HG2 ARG 33 48.248 12.403 34.354 833 HG3 ARG 33 HG1 ARG 33 47.509 10.890 33.835 834 HD2 ARG 33 HD2 ARG 33 48.509 11.431 31.512 835 HD3 ARG 33 HD1 ARG 33 49.535 12.569 32.378 836 HE ARG 33 HE ARG 33 49.654 10.071 33.682 837 HH11 ARG 33 HH11 ARG 33 50.600 11.586 30.686 838 HH12 ARG 33 HH12 ARG 33 51.959 10.543 30.453 839 HH21 ARG 33 HH21 ARG 33 51.427 8.727 33.350 840 HH22 ARG 33 HH22 ARG 33 52.427 8.932 31.950 841 H1 MET 1 HT1 MET 1 5.489 20.387 17.355 842 H2 MET 1 HT2 MET 1 3.951 19.721 17.634 843 H3 MET 1 HT3 MET 1 4.817 19.310 16.231 844 HA MET 1 HA MET 1 6.449 18.130 17.476 845 HB2 MET 1 HB2 MET 1 5.290 19.732 19.628 846 HB3 MET 1 HB1 MET 1 5.471 18.038 20.082 847 HG2 MET 1 HG2 MET 1 7.838 18.112 19.318 848 HG3 MET 1 HG1 MET 1 7.645 19.826 18.955 849 HE1 MET 1 HE1 MET 1 7.773 21.606 20.336 850 HE2 MET 1 HE2 MET 1 7.678 21.691 22.093 851 HE3 MET 1 HE3 MET 1 6.229 21.332 21.155 852 H PHE 2 HN PHE 2 3.683 17.889 16.281 853 HA PHE 2 HA PHE 2 2.224 15.939 17.747 854 HB2 PHE 2 HB2 PHE 2 2.247 16.774 14.855 855 HB3 PHE 2 HB1 PHE 2 1.225 15.460 15.436 856 HD1 PHE 2 HD1 PHE 2 1.660 19.042 15.227 857 HD2 PHE 2 HD2 PHE 2 -0.410 15.913 17.316 858 HE1 PHE 2 HE1 PHE 2 0.003 20.690 16.055 859 HE2 PHE 2 HE2 PHE 2 -2.067 17.559 18.145 860 HZ PHE 2 HZ PHE 2 -1.861 19.949 17.515 861 H GLU 3 HN GLU 3 4.675 15.723 15.187 862 HA GLU 3 HA GLU 3 4.509 12.838 15.219 863 HB2 GLU 3 HB2 GLU 3 6.427 14.603 13.704 864 HB3 GLU 3 HB1 GLU 3 6.151 12.883 13.440 865 HG2 GLU 3 HG2 GLU 3 4.718 13.724 11.846 866 HG3 GLU 3 HG1 GLU 3 3.624 13.673 13.226 867 HA PRO 4 HA PRO 4 7.636 12.690 18.451 868 HB2 PRO 4 HB2 PRO 4 8.048 9.982 18.460 869 HB3 PRO 4 HB1 PRO 4 6.662 10.766 19.241 870 HG2 PRO 4 HG2 PRO 4 6.818 9.375 16.615 871 HG3 PRO 4 HG1 PRO 4 5.532 9.349 17.833 872 HD2 PRO 4 HD2 PRO 4 5.387 10.865 15.562 873 HD3 PRO 4 HD1 PRO 4 4.599 11.333 17.085 874 H PHE 5 HN PHE 5 8.026 11.234 15.275 875 HA PHE 5 HA PHE 5 10.777 10.600 15.427 876 HB2 PHE 5 HB2 PHE 5 10.514 9.953 13.280 877 HB3 PHE 5 HB1 PHE 5 8.804 10.284 13.545 878 HD1 PHE 5 HD1 PHE 5 11.686 11.124 11.625 879 HD2 PHE 5 HD2 PHE 5 8.025 12.752 13.165 880 HE1 PHE 5 HE1 PHE 5 11.780 12.936 9.934 881 HE2 PHE 5 HE2 PHE 5 8.114 14.564 11.474 882 HZ PHE 5 HZ PHE 5 9.994 14.654 9.858 883 H GLN 6 HN GLN 6 9.215 13.629 15.423 884 HA GLN 6 HA GLN 6 10.997 15.221 13.946 885 HB2 GLN 6 HB2 GLN 6 8.800 15.988 14.818 886 HB3 GLN 6 HB1 GLN 6 9.468 15.973 16.451 887 HG2 GLN 6 HG2 GLN 6 11.264 17.561 15.624 888 HG3 GLN 6 HG1 GLN 6 10.354 17.693 14.121 889 HE21 GLN 6 HE21 GLN 6 9.363 19.726 14.227 890 HE22 GLN 6 HE22 GLN 6 8.453 20.281 15.548 891 H ILE 7 HN ILE 7 11.096 14.064 17.286 892 HA ILE 7 HA ILE 7 13.209 15.648 18.218 893 HB ILE 7 HB ILE 7 13.535 13.920 19.931 894 HG12 ILE 7 HG12 ILE 7 11.644 11.989 19.530 895 HG13 ILE 7 HG11 ILE 7 12.188 12.260 17.882 896 HG21 ILE 7 HG21 ILE 7 10.624 14.351 19.197 897 HG22 ILE 7 HG22 ILE 7 11.620 15.456 20.144 898 HG23 ILE 7 HG23 ILE 7 11.214 13.864 20.785 899 HD11 ILE 7 HD11 ILE 7 14.598 12.088 18.919 900 HD12 ILE 7 HD12 ILE 7 13.678 10.615 18.611 901 HD13 ILE 7 HD13 ILE 7 13.758 11.275 20.242 902 H LEU 8 HN LEU 8 13.245 12.606 16.420 903 HA LEU 8 HA LEU 8 16.064 12.224 16.613 904 HB2 LEU 8 HB2 LEU 8 14.491 10.367 16.179 905 HB3 LEU 8 HB1 LEU 8 14.091 11.083 14.618 906 HG LEU 8 HG LEU 8 16.488 10.896 13.954 907 HD11 LEU 8 HD11 LEU 8 17.625 10.935 16.057 908 HD12 LEU 8 HD12 LEU 8 17.873 9.312 15.413 909 HD13 LEU 8 HD13 LEU 8 16.673 9.586 16.677 910 HD21 LEU 8 HD21 LEU 8 14.982 9.121 13.276 911 HD22 LEU 8 HD22 LEU 8 15.090 8.362 14.864 912 HD23 LEU 8 HD23 LEU 8 16.495 8.378 13.797 913 H SER 9 HN SER 9 13.924 13.811 14.366 914 HA SER 9 HA SER 9 15.811 14.205 12.258 915 HB2 SER 9 HB2 SER 9 13.410 14.398 11.853 916 HB3 SER 9 HB1 SER 9 13.317 15.768 12.956 917 HG SER 9 HG SER 9 14.739 16.882 11.565 918 H ILE 10 HN ILE 10 14.652 16.333 14.872 919 HA ILE 10 HA ILE 10 16.290 18.535 14.236 920 HB ILE 10 HB ILE 10 15.092 17.678 16.883 921 HG12 ILE 10 HG12 ILE 10 14.215 19.872 14.988 922 HG13 ILE 10 HG11 ILE 10 13.585 18.227 14.881 923 HG21 ILE 10 HG21 ILE 10 16.552 20.187 16.025 924 HG22 ILE 10 HG22 ILE 10 16.852 19.180 17.441 925 HG23 ILE 10 HG23 ILE 10 15.410 20.192 17.369 926 HD11 ILE 10 HD11 ILE 10 13.477 19.951 17.373 927 HD12 ILE 10 HD12 ILE 10 12.767 18.349 17.176 928 HD13 ILE 10 HD13 ILE 10 12.131 19.713 16.258 929 H CYS 11 HN CYS 11 16.789 15.781 16.437 930 HA CYS 11 HA CYS 11 19.242 16.631 17.522 931 HB2 CYS 11 HB2 CYS 11 18.088 13.878 17.060 932 HB3 CYS 11 HB1 CYS 11 19.604 14.154 17.917 933 HG CYS 11 HG CYS 11 18.286 15.499 19.730 934 H SER 12 HN SER 12 18.588 14.488 14.724 935 HA SER 12 HA SER 12 21.258 14.027 14.036 936 HB2 SER 12 HB2 SER 12 19.411 12.733 13.086 937 HB3 SER 12 HB1 SER 12 18.822 14.163 12.243 938 HG SER 12 HG SER 12 20.711 14.188 11.042 939 H PHE 13 HN PHE 13 19.021 16.587 13.017 940 HA PHE 13 HA PHE 13 20.656 17.809 11.111 941 HB2 PHE 13 HB2 PHE 13 18.302 18.394 11.381 942 HB3 PHE 13 HB1 PHE 13 18.628 19.055 12.984 943 HD1 PHE 13 HD1 PHE 13 19.819 19.373 9.440 944 HD2 PHE 13 HD2 PHE 13 19.068 21.338 13.185 945 HE1 PHE 13 HE1 PHE 13 20.410 21.552 8.414 946 HE2 PHE 13 HE2 PHE 13 19.660 23.518 12.160 947 HZ PHE 13 HZ PHE 13 20.331 23.625 9.774 948 H ILE 14 HN ILE 14 20.356 18.457 14.602 949 HA ILE 14 HA ILE 14 22.233 20.552 14.720 950 HB ILE 14 HB ILE 14 21.353 18.551 16.815 951 HG12 ILE 14 HG12 ILE 14 19.725 20.252 15.717 952 HG13 ILE 14 HG11 ILE 14 19.785 20.196 17.476 953 HG21 ILE 14 HG21 ILE 14 23.423 19.359 17.625 954 HG22 ILE 14 HG22 ILE 14 22.235 20.421 18.377 955 HG23 ILE 14 HG23 ILE 14 23.153 20.977 16.976 956 HD11 ILE 14 HD11 ILE 14 19.888 22.516 16.280 957 HD12 ILE 14 HD12 ILE 14 21.572 22.101 15.966 958 HD13 ILE 14 HD13 ILE 14 20.982 22.208 17.625 959 H LEU 15 HN LEU 15 22.612 17.062 15.240 960 HA LEU 15 HA LEU 15 25.373 17.127 15.879 961 HB2 LEU 15 HB2 LEU 15 23.604 14.929 14.781 962 HB3 LEU 15 HB1 LEU 15 25.263 14.677 15.320 963 HG LEU 15 HG LEU 15 23.164 15.933 17.100 964 HD11 LEU 15 HD11 LEU 15 22.377 13.697 16.483 965 HD12 LEU 15 HD12 LEU 15 22.963 13.681 18.146 966 HD13 LEU 15 HD13 LEU 15 23.961 13.014 16.853 967 HD21 LEU 15 HD21 LEU 15 25.464 16.316 17.798 968 HD22 LEU 15 HD22 LEU 15 25.855 14.611 17.573 969 HD23 LEU 15 HD23 LEU 15 24.757 15.101 18.862 970 H SER 16 HN SER 16 23.634 17.128 12.871 971 HA SER 16 HA SER 16 25.801 16.292 11.192 972 HB2 SER 16 HB2 SER 16 23.446 16.085 10.493 973 HB3 SER 16 HB1 SER 16 23.293 17.839 10.504 974 HG SER 16 HG SER 16 24.413 17.953 8.705 975 H ALA 17 HN ALA 17 24.394 19.437 12.058 976 HA ALA 17 HA ALA 17 26.140 20.997 10.448 977 HB1 ALA 17 HB1 ALA 17 24.090 21.996 11.174 978 HB2 ALA 17 HB2 ALA 17 25.389 22.869 11.987 979 HB3 ALA 17 HB3 ALA 17 24.453 21.660 12.866 980 H LEU 18 HN LEU 18 26.288 19.840 13.805 981 HA LEU 18 HA LEU 18 28.628 21.341 14.460 982 HB2 LEU 18 HB2 LEU 18 27.151 19.048 15.732 983 HB3 LEU 18 HB1 LEU 18 28.685 19.624 16.384 984 HG LEU 18 HG LEU 18 26.434 21.546 15.803 985 HD11 LEU 18 HD11 LEU 18 25.530 19.813 17.307 986 HD12 LEU 18 HD12 LEU 18 25.773 21.327 18.178 987 HD13 LEU 18 HD13 LEU 18 26.922 20.004 18.372 988 HD21 LEU 18 HD21 LEU 18 28.765 21.552 17.748 989 HD22 LEU 18 HD22 LEU 18 27.609 22.865 17.530 990 HD23 LEU 18 HD23 LEU 18 28.708 22.434 16.222 991 H HIS 19 HN HIS 19 28.011 18.200 13.000 992 HA HIS 19 HA HIS 19 30.593 17.091 13.433 993 HB2 HIS 19 HB2 HIS 19 28.529 15.811 12.789 994 HB3 HIS 19 HB1 HIS 19 28.685 16.492 11.171 995 HD2 HIS 19 HD2 HIS 19 30.835 15.434 9.638 996 HE1 HIS 19 HE1 HIS 19 32.027 12.560 12.494 997 HE2 HIS 19 HE2 HIS 19 32.349 13.357 10.104 998 H PHE 20 HN PHE 20 29.117 18.799 10.668 999 HA PHE 20 HA PHE 20 31.519 18.745 9.117 1000 HB2 PHE 20 HB2 PHE 20 28.815 19.748 8.802 1001 HB3 PHE 20 HB1 PHE 20 30.008 20.900 8.199 1002 HD1 PHE 20 HD1 PHE 20 29.315 17.201 8.145 1003 HD2 PHE 20 HD2 PHE 20 30.812 20.629 6.029 1004 HE1 PHE 20 HE1 PHE 20 29.668 15.804 6.126 1005 HE2 PHE 20 HE2 PHE 20 31.164 19.229 4.012 1006 HZ PHE 20 HZ PHE 20 30.593 16.810 4.058 1007 H MET 21 HN MET 21 30.218 20.888 11.555 1008 HA MET 21 HA MET 21 31.774 23.178 11.004 1009 HB2 MET 21 HB2 MET 21 30.270 22.096 13.321 1010 HB3 MET 21 HB1 MET 21 31.490 23.323 13.671 1011 HG2 MET 21 HG2 MET 21 30.474 24.777 11.914 1012 HG3 MET 21 HG1 MET 21 29.205 23.573 11.693 1013 HE1 MET 21 HE1 MET 21 27.851 25.461 11.803 1014 HE2 MET 21 HE2 MET 21 27.481 26.486 13.186 1015 HE3 MET 21 HE3 MET 21 26.712 24.909 13.039 1016 H ALA 22 HN ALA 22 32.352 20.513 13.320 1017 HA ALA 22 HA ALA 22 34.924 21.435 14.084 1018 HB1 ALA 22 HB1 ALA 22 33.998 19.932 15.596 1019 HB2 ALA 22 HB2 ALA 22 35.169 18.920 14.750 1020 HB3 ALA 22 HB3 ALA 22 33.459 18.832 14.330 1021 H TRP 23 HN TRP 23 33.823 19.147 11.615 1022 HA TRP 23 HA TRP 23 36.336 18.172 10.834 1023 HB2 TRP 23 HB2 TRP 23 33.668 17.890 9.989 1024 HB3 TRP 23 HB1 TRP 23 34.572 18.429 8.574 1025 HD1 TRP 23 HD1 TRP 23 34.096 15.479 10.864 1026 HE1 TRP 23 HE1 TRP 23 35.545 13.513 10.036 1027 HE3 TRP 23 HE3 TRP 23 36.908 17.877 7.339 1028 HZ2 TRP 23 HZ2 TRP 23 37.624 13.023 8.127 1029 HZ3 TRP 23 HZ3 TRP 23 38.610 16.645 6.028 1030 HH2 TRP 23 HH2 TRP 23 38.972 14.219 6.420 1031 H THR 24 HN THR 24 34.438 20.883 9.504 1032 HA THR 24 HA THR 24 36.182 21.673 7.492 1033 HB THR 24 HB THR 24 35.216 24.038 8.071 1034 HG1 THR 24 HG1 THR 24 34.053 24.060 9.793 1035 HG21 THR 24 HG21 THR 24 34.392 22.829 6.179 1036 HG22 THR 24 HG22 THR 24 32.975 23.292 7.122 1037 HG23 THR 24 HG23 THR 24 33.589 21.641 7.205 1038 H ILE 25 HN ILE 25 36.091 22.713 10.913 1039 HA ILE 25 HA ILE 25 38.319 24.455 10.719 1040 HB ILE 25 HB ILE 25 37.114 22.978 13.060 1041 HG12 ILE 25 HG12 ILE 25 37.092 25.917 12.324 1042 HG13 ILE 25 HG11 ILE 25 35.816 24.792 11.857 1043 HG21 ILE 25 HG21 ILE 25 39.432 23.393 13.621 1044 HG22 ILE 25 HG22 ILE 25 38.457 24.615 14.435 1045 HG23 ILE 25 HG23 ILE 25 39.345 25.029 12.969 1046 HD11 ILE 25 HD11 ILE 25 35.627 24.198 14.339 1047 HD12 ILE 25 HD12 ILE 25 35.063 25.804 13.880 1048 HD13 ILE 25 HD13 ILE 25 36.638 25.609 14.649 1049 H GLY 26 HN GLY 26 38.025 21.033 11.460 1050 HA2 GLY 26 HA2 GLY 26 40.666 20.524 12.285 1051 HA3 GLY 26 HA1 GLY 26 39.595 19.331 11.558 1052 H HIS 27 HN HIS 27 39.215 20.260 9.035 1053 HA HIS 27 HA HIS 27 41.619 19.529 7.715 1054 HB2 HIS 27 HB2 HIS 27 39.327 19.164 6.796 1055 HB3 HIS 27 HB1 HIS 27 39.198 20.903 6.530 1056 HD2 HIS 27 HD2 HIS 27 40.835 17.800 4.861 1057 HE1 HIS 27 HE1 HIS 27 42.125 21.200 2.718 1058 HE2 HIS 27 HE2 HIS 27 42.071 18.662 2.729 1059 H LEU 28 HN LEU 28 40.051 22.628 8.351 1060 HA LEU 28 HA LEU 28 41.782 24.196 6.730 1061 HB2 LEU 28 HB2 LEU 28 39.969 24.861 9.046 1062 HB3 LEU 28 HB1 LEU 28 40.919 26.086 8.204 1063 HG LEU 28 HG LEU 28 39.076 24.177 6.751 1064 HD11 LEU 28 HD11 LEU 28 37.802 25.548 8.402 1065 HD12 LEU 28 HD12 LEU 28 37.408 25.964 6.735 1066 HD13 LEU 28 HD13 LEU 28 38.477 27.006 7.674 1067 HD21 LEU 28 HD21 LEU 28 40.524 26.749 6.066 1068 HD22 LEU 28 HD22 LEU 28 39.196 26.132 5.084 1069 HD23 LEU 28 HD23 LEU 28 40.665 25.179 5.275 1070 H ASN 29 HN ASN 29 41.880 23.165 10.092 1071 HA ASN 29 HA ASN 29 43.531 23.205 11.675 1072 HB2 ASN 29 HB2 ASN 29 45.032 23.266 9.110 1073 HB3 ASN 29 HB1 ASN 29 45.920 23.700 10.569 1074 HD21 ASN 29 HD21 ASN 29 45.360 21.095 8.667 1075 HD22 ASN 29 HD22 ASN 29 45.401 19.859 9.830 1076 H GLN 30 HN GLN 30 45.160 25.525 9.565 1077 HA GLN 30 HA GLN 30 45.202 27.479 11.699 1078 HB2 GLN 30 HB2 GLN 30 46.368 27.324 8.932 1079 HB3 GLN 30 HB1 GLN 30 46.398 28.833 9.846 1080 HG2 GLN 30 HG2 GLN 30 47.471 27.563 11.744 1081 HG3 GLN 30 HG1 GLN 30 47.596 26.174 10.665 1082 HE21 GLN 30 HE21 GLN 30 50.028 26.534 11.056 1083 HE22 GLN 30 HE22 GLN 30 50.823 27.659 10.064 1084 H ILE 31 HN ILE 31 44.161 29.433 11.741 1085 HA ILE 31 HA ILE 31 41.632 29.641 10.522 1086 HB ILE 31 HB ILE 31 43.390 31.704 11.859 1087 HG12 ILE 31 HG12 ILE 31 40.830 30.438 12.846 1088 HG13 ILE 31 HG11 ILE 31 42.398 29.679 13.121 1089 HG21 ILE 31 HG21 ILE 31 41.913 32.928 10.418 1090 HG22 ILE 31 HG22 ILE 31 41.193 32.981 12.028 1091 HG23 ILE 31 HG23 ILE 31 40.553 31.875 10.812 1092 HD11 ILE 31 HD11 ILE 31 41.667 32.506 13.944 1093 HD12 ILE 31 HD12 ILE 31 43.199 31.695 14.264 1094 HD13 ILE 31 HD13 ILE 31 41.719 31.117 15.029 1095 H LYS 32 HN LYS 32 44.752 31.146 9.738 1096 HA LYS 32 HA LYS 32 45.505 32.210 7.849 1097 HB2 LYS 32 HB2 LYS 32 43.423 30.331 6.774 1098 HB3 LYS 32 HB1 LYS 32 44.239 31.462 5.695 1099 HG2 LYS 32 HG2 LYS 32 46.382 30.547 6.191 1100 HG3 LYS 32 HG1 LYS 32 45.760 29.648 7.577 1101 HD2 LYS 32 HD2 LYS 32 44.373 28.277 6.053 1102 HD3 LYS 32 HD1 LYS 32 45.029 29.160 4.673 1103 HE2 LYS 32 HE2 LYS 32 47.265 28.360 5.144 1104 HE3 LYS 32 HE1 LYS 32 46.730 27.624 6.655 1105 HZ1 LYS 32 HZ1 LYS 32 46.949 26.157 4.577 1106 HZ2 LYS 32 HZ2 LYS 32 45.482 26.863 4.095 1107 HZ3 LYS 32 HZ3 LYS 32 45.568 25.984 5.545 1108 H ARG 33 HN ARG 33 45.091 34.342 8.173 1109 HA ARG 33 HA ARG 33 42.704 35.412 6.849 1110 HB2 ARG 33 HB2 ARG 33 41.921 36.633 8.653 1111 HB3 ARG 33 HB1 ARG 33 42.483 35.172 9.457 1112 HG2 ARG 33 HG2 ARG 33 44.035 37.776 9.226 1113 HG3 ARG 33 HG1 ARG 33 43.245 37.156 10.673 1114 HD2 ARG 33 HD2 ARG 33 44.679 35.035 10.304 1115 HD3 ARG 33 HD1 ARG 33 45.652 36.053 9.248 1116 HE ARG 33 HE ARG 33 45.289 37.389 11.704 1117 HH11 ARG 33 HH11 ARG 33 46.886 34.585 10.381 1118 HH12 ARG 33 HH12 ARG 33 48.152 34.606 11.560 1119 HH21 ARG 33 HH21 ARG 33 46.946 37.389 13.225 1120 HH22 ARG 33 HH22 ARG 33 48.187 36.184 13.162 Start of MODEL 2 1 H1 MET 1 HT1 MET 1 3.619 18.397 -1.855 2 H2 MET 1 HT2 MET 1 4.269 18.176 -3.409 3 H3 MET 1 HT3 MET 1 5.283 18.137 -2.048 4 HA MET 1 HA MET 1 3.240 16.241 -1.703 5 HB2 MET 1 HB2 MET 1 4.438 16.449 -4.420 6 HB3 MET 1 HB1 MET 1 4.365 14.833 -3.722 7 HG2 MET 1 HG2 MET 1 1.892 15.504 -3.131 8 HG3 MET 1 HG1 MET 1 2.116 16.692 -4.414 9 HE1 MET 1 HE1 MET 1 1.768 16.305 -6.728 10 HE2 MET 1 HE2 MET 1 2.306 14.882 -7.619 11 HE3 MET 1 HE3 MET 1 3.476 15.843 -6.718 12 H PHE 2 HN PHE 2 5.075 16.975 -0.002 13 HA PHE 2 HA PHE 2 7.210 14.935 -0.196 14 HB2 PHE 2 HB2 PHE 2 7.350 17.641 1.151 15 HB3 PHE 2 HB1 PHE 2 8.631 16.428 1.145 16 HD1 PHE 2 HD1 PHE 2 7.341 19.271 -0.520 17 HD2 PHE 2 HD2 PHE 2 9.318 15.528 -1.249 18 HE1 PHE 2 HE1 PHE 2 8.129 20.116 -2.714 19 HE2 PHE 2 HE2 PHE 2 10.109 16.374 -3.442 20 HZ PHE 2 HZ PHE 2 9.515 18.667 -4.175 21 H GLU 3 HN GLU 3 7.160 13.429 1.337 22 HA GLU 3 HA GLU 3 5.322 13.761 3.576 23 HB2 GLU 3 HB2 GLU 3 6.825 11.394 2.465 24 HB3 GLU 3 HB1 GLU 3 5.908 11.314 3.968 25 HG2 GLU 3 HG2 GLU 3 3.871 12.001 2.795 26 HG3 GLU 3 HG1 GLU 3 4.772 12.158 1.287 27 HA PRO 4 HA PRO 4 8.219 14.557 6.789 28 HB2 PRO 4 HB2 PRO 4 7.326 12.045 8.138 29 HB3 PRO 4 HB1 PRO 4 7.391 13.703 8.769 30 HG2 PRO 4 HG2 PRO 4 5.083 12.590 8.096 31 HG3 PRO 4 HG1 PRO 4 5.404 14.302 7.768 32 HD2 PRO 4 HD2 PRO 4 5.371 11.995 5.862 33 HD3 PRO 4 HD1 PRO 4 4.884 13.685 5.601 34 H PHE 5 HN PHE 5 8.023 11.042 6.157 35 HA PHE 5 HA PHE 5 10.741 10.532 6.878 36 HB2 PHE 5 HB2 PHE 5 10.118 8.375 6.703 37 HB3 PHE 5 HB1 PHE 5 8.495 8.973 6.360 38 HD1 PHE 5 HD1 PHE 5 11.549 7.532 4.949 39 HD2 PHE 5 HD2 PHE 5 7.703 9.206 4.018 40 HE1 PHE 5 HE1 PHE 5 11.712 6.624 2.647 41 HE2 PHE 5 HE2 PHE 5 7.867 8.298 1.715 42 HZ PHE 5 HZ PHE 5 9.872 7.008 1.030 43 H GLN 6 HN GLN 6 9.091 11.385 3.913 44 HA GLN 6 HA GLN 6 11.156 10.670 2.099 45 HB2 GLN 6 HB2 GLN 6 8.749 11.185 1.512 46 HB3 GLN 6 HB1 GLN 6 9.137 12.890 1.742 47 HG2 GLN 6 HG2 GLN 6 9.436 12.507 -0.585 48 HG3 GLN 6 HG1 GLN 6 11.064 12.509 0.090 49 HE21 GLN 6 HE21 GLN 6 11.787 11.106 -1.721 50 HE22 GLN 6 HE22 GLN 6 11.401 9.453 -1.722 51 H ILE 7 HN ILE 7 10.404 13.643 3.877 52 HA ILE 7 HA ILE 7 12.374 15.286 2.670 53 HB ILE 7 HB ILE 7 11.043 15.430 5.384 54 HG12 ILE 7 HG12 ILE 7 10.557 17.108 2.917 55 HG13 ILE 7 HG11 ILE 7 9.669 15.613 3.220 56 HG21 ILE 7 HG21 ILE 7 12.786 17.415 3.893 57 HG22 ILE 7 HG22 ILE 7 13.120 16.687 5.463 58 HG23 ILE 7 HG23 ILE 7 11.791 17.832 5.288 59 HD11 ILE 7 HD11 ILE 7 8.518 17.703 4.055 60 HD12 ILE 7 HD12 ILE 7 9.833 17.882 5.215 61 HD13 ILE 7 HD13 ILE 7 8.781 16.469 5.286 62 H LEU 8 HN LEU 8 12.374 13.326 5.640 63 HA LEU 8 HA LEU 8 15.053 14.027 6.352 64 HB2 LEU 8 HB2 LEU 8 13.329 13.169 7.959 65 HB3 LEU 8 HB1 LEU 8 13.495 11.582 7.210 66 HG LEU 8 HG LEU 8 15.990 11.751 7.691 67 HD11 LEU 8 HD11 LEU 8 16.224 14.119 8.067 68 HD12 LEU 8 HD12 LEU 8 16.532 13.319 9.607 69 HD13 LEU 8 HD13 LEU 8 14.978 14.099 9.316 70 HD21 LEU 8 HD21 LEU 8 13.971 11.698 9.950 71 HD22 LEU 8 HD22 LEU 8 15.658 11.222 10.142 72 HD23 LEU 8 HD23 LEU 8 14.605 10.319 9.053 73 H SER 9 HN SER 9 13.592 11.560 4.376 74 HA SER 9 HA SER 9 15.804 9.787 4.212 75 HB2 SER 9 HB2 SER 9 13.592 9.037 3.576 76 HB3 SER 9 HB1 SER 9 13.499 10.259 2.310 77 HG SER 9 HG SER 9 15.469 8.215 2.469 78 H ILE 10 HN ILE 10 14.682 12.371 2.025 79 HA ILE 10 HA ILE 10 16.916 12.062 0.251 80 HB ILE 10 HB ILE 10 16.049 14.111 -0.818 81 HG12 ILE 10 HG12 ILE 10 13.659 14.663 0.403 82 HG13 ILE 10 HG11 ILE 10 14.685 14.320 1.790 83 HG21 ILE 10 HG21 ILE 10 13.811 12.225 -0.019 84 HG22 ILE 10 HG22 ILE 10 15.018 11.860 -1.253 85 HG23 ILE 10 HG23 ILE 10 13.896 13.201 -1.485 86 HD11 ILE 10 HD11 ILE 10 15.034 16.448 -0.312 87 HD12 ILE 10 HD12 ILE 10 16.397 15.915 0.673 88 HD13 ILE 10 HD13 ILE 10 14.979 16.633 1.441 89 H CYS 11 HN CYS 11 16.280 13.922 3.140 90 HA CYS 11 HA CYS 11 18.278 15.912 2.764 91 HB2 CYS 11 HB2 CYS 11 16.417 16.093 4.396 92 HB3 CYS 11 HB1 CYS 11 17.148 14.793 5.340 93 HG CYS 11 HG CYS 11 18.836 16.382 6.237 94 H SER 12 HN SER 12 18.252 12.891 4.669 95 HA SER 12 HA SER 12 21.000 13.044 5.397 96 HB2 SER 12 HB2 SER 12 19.083 10.706 5.352 97 HB3 SER 12 HB1 SER 12 20.705 10.646 6.038 98 HG SER 12 HG SER 12 20.076 11.880 7.658 99 H PHE 13 HN PHE 13 19.253 11.536 2.739 100 HA PHE 13 HA PHE 13 21.309 9.941 1.696 101 HB2 PHE 13 HB2 PHE 13 19.176 9.600 0.775 102 HB3 PHE 13 HB1 PHE 13 18.938 11.319 0.459 103 HD1 PHE 13 HD1 PHE 13 21.299 8.535 -0.435 104 HD2 PHE 13 HD2 PHE 13 19.287 12.114 -1.694 105 HE1 PHE 13 HE1 PHE 13 22.237 8.262 -2.715 106 HE2 PHE 13 HE2 PHE 13 20.223 11.841 -3.973 107 HZ PHE 13 HZ PHE 13 21.701 9.915 -4.483 108 H ILE 14 HN ILE 14 20.451 13.329 0.970 109 HA ILE 14 HA ILE 14 22.470 13.769 -0.949 110 HB ILE 14 HB ILE 14 21.027 15.658 0.919 111 HG12 ILE 14 HG12 ILE 14 20.734 15.314 -2.070 112 HG13 ILE 14 HG11 ILE 14 19.810 14.333 -0.932 113 HG21 ILE 14 HG21 ILE 14 22.962 16.182 -1.352 114 HG22 ILE 14 HG22 ILE 14 23.090 16.737 0.316 115 HG23 ILE 14 HG23 ILE 14 21.844 17.401 -0.742 116 HD11 ILE 14 HD11 ILE 14 18.706 16.233 -0.026 117 HD12 ILE 14 HD12 ILE 14 18.685 16.486 -1.771 118 HD13 ILE 14 HD13 ILE 14 19.849 17.352 -0.769 119 H LEU 15 HN LEU 15 22.395 14.338 2.569 120 HA LEU 15 HA LEU 15 24.999 15.440 2.740 121 HB2 LEU 15 HB2 LEU 15 22.932 14.497 4.586 122 HB3 LEU 15 HB1 LEU 15 24.567 14.212 5.180 123 HG LEU 15 HG LEU 15 24.269 16.869 3.988 124 HD11 LEU 15 HD11 LEU 15 22.954 17.715 5.998 125 HD12 LEU 15 HD12 LEU 15 22.498 16.039 6.295 126 HD13 LEU 15 HD13 LEU 15 22.016 16.830 4.794 127 HD21 LEU 15 HD21 LEU 15 26.167 16.105 5.393 128 HD22 LEU 15 HD22 LEU 15 25.060 15.880 6.748 129 HD23 LEU 15 HD23 LEU 15 25.357 17.498 6.110 130 H SER 16 HN SER 16 23.869 12.175 2.476 131 HA SER 16 HA SER 16 26.233 10.906 3.495 132 HB2 SER 16 HB2 SER 16 24.010 9.874 1.726 133 HB3 SER 16 HB1 SER 16 25.274 8.874 2.437 134 HG SER 16 HG SER 16 23.025 9.498 3.534 135 H ALA 17 HN ALA 17 25.018 11.750 0.273 136 HA ALA 17 HA ALA 17 27.180 10.563 -1.165 137 HB1 ALA 17 HB1 ALA 17 24.968 11.069 -2.180 138 HB2 ALA 17 HB2 ALA 17 26.307 11.773 -3.086 139 HB3 ALA 17 HB3 ALA 17 25.322 12.791 -2.034 140 H LEU 18 HN LEU 18 26.593 13.760 0.233 141 HA LEU 18 HA LEU 18 28.849 15.001 -1.026 142 HB2 LEU 18 HB2 LEU 18 27.111 15.772 1.327 143 HB3 LEU 18 HB1 LEU 18 28.379 16.800 0.657 144 HG LEU 18 HG LEU 18 26.181 15.658 -1.073 145 HD11 LEU 18 HD11 LEU 18 25.149 16.987 0.743 146 HD12 LEU 18 HD12 LEU 18 25.007 17.806 -0.813 147 HD13 LEU 18 HD13 LEU 18 26.217 18.337 0.355 148 HD21 LEU 18 HD21 LEU 18 28.113 16.504 -2.276 149 HD22 LEU 18 HD22 LEU 18 28.118 17.981 -1.314 150 HD23 LEU 18 HD23 LEU 18 26.805 17.674 -2.450 151 H HIS 19 HN HIS 19 28.253 13.293 2.016 152 HA HIS 19 HA HIS 19 30.634 14.055 3.345 153 HB2 HIS 19 HB2 HIS 19 28.753 13.075 4.551 154 HB3 HIS 19 HB1 HIS 19 28.913 11.579 3.630 155 HD2 HIS 19 HD2 HIS 19 30.728 13.443 6.575 156 HE1 HIS 19 HE1 HIS 19 32.558 9.672 6.084 157 HE2 HIS 19 HE2 HIS 19 32.449 11.741 7.552 158 H PHE 20 HN PHE 20 29.787 11.202 1.371 159 HA PHE 20 HA PHE 20 32.399 10.052 1.563 160 HB2 PHE 20 HB2 PHE 20 29.876 9.422 0.222 161 HB3 PHE 20 HB1 PHE 20 31.296 9.000 -0.735 162 HD1 PHE 20 HD1 PHE 20 30.008 8.753 2.791 163 HD2 PHE 20 HD2 PHE 20 32.383 6.979 -0.321 164 HE1 PHE 20 HE1 PHE 20 30.418 6.771 4.229 165 HE2 PHE 20 HE2 PHE 20 32.791 5.001 1.116 166 HZ PHE 20 HZ PHE 20 31.818 4.891 3.392 167 H MET 21 HN MET 21 30.892 12.393 -0.553 168 HA MET 21 HA MET 21 32.680 12.265 -2.730 169 HB2 MET 21 HB2 MET 21 30.647 14.101 -1.709 170 HB3 MET 21 HB1 MET 21 31.973 14.929 -2.525 171 HG2 MET 21 HG2 MET 21 30.675 12.504 -3.759 172 HG3 MET 21 HG1 MET 21 29.979 14.113 -3.973 173 HE1 MET 21 HE1 MET 21 31.615 13.548 -7.386 174 HE2 MET 21 HE2 MET 21 30.333 14.457 -6.590 175 HE3 MET 21 HE3 MET 21 30.459 12.719 -6.334 176 H ALA 22 HN ALA 22 32.676 14.516 0.063 177 HA ALA 22 HA ALA 22 35.179 15.673 -0.549 178 HB1 ALA 22 HB1 ALA 22 33.297 16.413 1.123 179 HB2 ALA 22 HB2 ALA 22 34.982 16.803 1.466 180 HB3 ALA 22 HB3 ALA 22 34.210 15.439 2.276 181 H TRP 23 HN TRP 23 34.256 12.916 1.473 182 HA TRP 23 HA TRP 23 36.727 12.412 2.681 183 HB2 TRP 23 HB2 TRP 23 34.215 11.064 2.361 184 HB3 TRP 23 HB1 TRP 23 35.528 9.919 2.093 185 HD1 TRP 23 HD1 TRP 23 34.351 12.494 4.718 186 HE1 TRP 23 HE1 TRP 23 35.251 11.749 7.018 187 HE3 TRP 23 HE3 TRP 23 37.178 8.480 3.310 188 HZ2 TRP 23 HZ2 TRP 23 36.951 9.725 8.114 189 HZ3 TRP 23 HZ3 TRP 23 38.424 7.160 4.996 190 HH2 TRP 23 HH2 TRP 23 38.314 7.778 7.397 191 H THR 24 HN THR 24 35.413 11.140 -0.374 192 HA THR 24 HA THR 24 37.571 9.530 -1.094 193 HB THR 24 HB THR 24 35.722 11.111 -2.899 194 HG1 THR 24 HG1 THR 24 34.670 9.017 -2.949 195 HG21 THR 24 HG21 THR 24 37.597 10.347 -4.185 196 HG22 THR 24 HG22 THR 24 36.273 9.224 -4.496 197 HG23 THR 24 HG23 THR 24 37.573 8.772 -3.394 198 H ILE 25 HN ILE 25 36.981 12.987 -1.722 199 HA ILE 25 HA ILE 25 39.299 13.404 -3.311 200 HB ILE 25 HB ILE 25 37.714 15.326 -1.585 201 HG12 ILE 25 HG12 ILE 25 37.623 14.899 -4.584 202 HG13 ILE 25 HG11 ILE 25 36.539 14.063 -3.472 203 HG21 ILE 25 HG21 ILE 25 39.883 15.724 -3.660 204 HG22 ILE 25 HG22 ILE 25 39.805 16.378 -2.025 205 HG23 ILE 25 HG23 ILE 25 38.722 16.993 -3.273 206 HD11 ILE 25 HD11 ILE 25 35.688 16.199 -2.640 207 HD12 ILE 25 HD12 ILE 25 35.519 16.139 -4.395 208 HD13 ILE 25 HD13 ILE 25 36.823 17.076 -3.666 209 H GLY 26 HN GLY 26 38.665 13.621 0.134 210 HA2 GLY 26 HA2 GLY 26 41.054 14.798 1.006 211 HA3 GLY 26 HA1 GLY 26 40.086 13.684 1.970 212 H HIS 27 HN HIS 27 40.267 11.337 0.656 213 HA HIS 27 HA HIS 27 42.840 10.382 1.361 214 HB2 HIS 27 HB2 HIS 27 40.488 9.220 -0.093 215 HB3 HIS 27 HB1 HIS 27 42.017 8.341 -0.043 216 HD2 HIS 27 HD2 HIS 27 41.238 6.443 1.893 217 HE1 HIS 27 HE1 HIS 27 40.312 9.218 4.936 218 HE2 HIS 27 HE2 HIS 27 40.605 6.751 4.408 219 H LEU 28 HN LEU 28 41.414 11.468 -1.662 220 HA LEU 28 HA LEU 28 43.336 10.463 -3.437 221 HB2 LEU 28 HB2 LEU 28 41.095 12.158 -3.592 222 HB3 LEU 28 HB1 LEU 28 42.443 13.100 -4.221 223 HG LEU 28 HG LEU 28 41.411 11.862 -6.047 224 HD11 LEU 28 HD11 LEU 28 43.998 12.059 -5.780 225 HD12 LEU 28 HD12 LEU 28 43.357 10.948 -6.989 226 HD13 LEU 28 HD13 LEU 28 43.938 10.328 -5.443 227 HD21 LEU 28 HD21 LEU 28 41.042 9.527 -6.030 228 HD22 LEU 28 HD22 LEU 28 40.557 10.033 -4.413 229 HD23 LEU 28 HD23 LEU 28 42.128 9.272 -4.664 230 H ASN 29 HN ASN 29 43.362 13.286 -1.330 231 HA ASN 29 HA ASN 29 45.026 14.821 -0.859 232 HB2 ASN 29 HB2 ASN 29 46.787 12.492 -1.669 233 HB3 ASN 29 HB1 ASN 29 47.301 13.897 -0.735 234 HD21 ASN 29 HD21 ASN 29 46.720 10.790 -0.175 235 HD22 ASN 29 HD22 ASN 29 45.934 10.862 1.328 236 H GLN 30 HN GLN 30 43.986 15.451 -3.229 237 HA GLN 30 HA GLN 30 45.510 15.383 -5.538 238 HB2 GLN 30 HB2 GLN 30 44.261 17.262 -6.287 239 HB3 GLN 30 HB1 GLN 30 43.186 16.396 -5.191 240 HG2 GLN 30 HG2 GLN 30 43.988 17.931 -3.343 241 HG3 GLN 30 HG1 GLN 30 44.809 18.879 -4.582 242 HE21 GLN 30 HE21 GLN 30 43.577 20.672 -5.115 243 HE22 GLN 30 HE22 GLN 30 41.885 20.686 -5.248 244 H ILE 31 HN ILE 31 46.009 17.227 -2.624 245 HA ILE 31 HA ILE 31 47.803 19.166 -3.671 246 HB ILE 31 HB ILE 31 48.524 19.384 -1.261 247 HG12 ILE 31 HG12 ILE 31 46.301 17.410 -0.711 248 HG13 ILE 31 HG11 ILE 31 47.986 16.900 -0.820 249 HG21 ILE 31 HG21 ILE 31 46.195 20.095 -0.499 250 HG22 ILE 31 HG22 ILE 31 45.597 19.446 -2.026 251 HG23 ILE 31 HG23 ILE 31 46.742 20.787 -2.026 252 HD11 ILE 31 HD11 ILE 31 47.282 17.396 1.523 253 HD12 ILE 31 HD12 ILE 31 46.962 19.062 1.042 254 HD13 ILE 31 HD13 ILE 31 48.606 18.426 0.979 255 H LYS 32 HN LYS 32 50.136 19.254 -2.786 256 HA LYS 32 HA LYS 32 51.711 17.379 -4.049 257 HB2 LYS 32 HB2 LYS 32 53.573 18.242 -2.758 258 HB3 LYS 32 HB1 LYS 32 52.495 19.578 -3.164 259 HG2 LYS 32 HG2 LYS 32 51.408 19.303 -0.917 260 HG3 LYS 32 HG1 LYS 32 52.637 18.100 -0.521 261 HD2 LYS 32 HD2 LYS 32 54.407 19.769 -0.861 262 HD3 LYS 32 HD1 LYS 32 53.199 20.975 -1.304 263 HE2 LYS 32 HE2 LYS 32 53.808 21.292 1.035 264 HE3 LYS 32 HE1 LYS 32 52.153 20.690 0.948 265 HZ1 LYS 32 HZ1 LYS 32 53.460 19.517 2.619 266 HZ2 LYS 32 HZ2 LYS 32 54.561 19.019 1.424 267 HZ3 LYS 32 HZ3 LYS 32 52.955 18.468 1.386 268 H ARG 33 HN ARG 33 52.603 15.434 -3.544 269 HA ARG 33 HA ARG 33 51.405 13.949 -1.372 270 HB2 ARG 33 HB2 ARG 33 53.309 13.282 -3.604 271 HB3 ARG 33 HB1 ARG 33 52.982 12.130 -2.309 272 HG2 ARG 33 HG2 ARG 33 50.803 11.794 -2.968 273 HG3 ARG 33 HG1 ARG 33 50.632 13.432 -3.603 274 HD2 ARG 33 HD2 ARG 33 52.139 12.817 -5.490 275 HD3 ARG 33 HD1 ARG 33 52.192 11.167 -4.879 276 HE ARG 33 HE ARG 33 49.521 11.661 -5.157 277 HH11 ARG 33 HH11 ARG 33 52.291 11.956 -7.258 278 HH12 ARG 33 HH12 ARG 33 51.382 11.641 -8.696 279 HH21 ARG 33 HH21 ARG 33 48.360 11.259 -7.055 280 HH22 ARG 33 HH22 ARG 33 49.174 11.249 -8.585 281 H1 MET 1 HT1 MET 1 6.514 -4.845 -0.553 282 H2 MET 1 HT2 MET 1 7.365 -6.291 -0.281 283 H3 MET 1 HT3 MET 1 8.161 -4.796 -0.147 284 HA MET 1 HA MET 1 5.931 -4.781 1.560 285 HB2 MET 1 HB2 MET 1 7.524 -7.294 1.452 286 HB3 MET 1 HB1 MET 1 7.208 -6.639 3.057 287 HG2 MET 1 HG2 MET 1 4.744 -6.400 2.167 288 HG3 MET 1 HG1 MET 1 5.256 -7.619 1.000 289 HE1 MET 1 HE1 MET 1 5.213 -9.965 1.348 290 HE2 MET 1 HE2 MET 1 5.748 -10.791 2.809 291 HE3 MET 1 HE3 MET 1 6.854 -9.716 1.959 292 H PHE 2 HN PHE 2 7.555 -2.821 1.001 293 HA PHE 2 HA PHE 2 9.509 -2.740 3.223 294 HB2 PHE 2 HB2 PHE 2 9.691 -1.342 0.543 295 HB3 PHE 2 HB1 PHE 2 10.846 -1.183 1.866 296 HD1 PHE 2 HD1 PHE 2 10.069 -2.971 -1.086 297 HD2 PHE 2 HD2 PHE 2 11.791 -3.467 2.818 298 HE1 PHE 2 HE1 PHE 2 11.239 -5.014 -1.862 299 HE2 PHE 2 HE2 PHE 2 12.964 -5.510 2.040 300 HZ PHE 2 HZ PHE 2 12.687 -6.283 -0.301 301 H GLU 3 HN GLU 3 9.104 -1.254 4.722 302 HA GLU 3 HA GLU 3 6.995 0.701 4.235 303 HB2 GLU 3 HB2 GLU 3 8.430 -0.219 6.722 304 HB3 GLU 3 HB1 GLU 3 7.301 1.135 6.725 305 HG2 GLU 3 HG2 GLU 3 5.525 -0.310 5.854 306 HG3 GLU 3 HG1 GLU 3 6.646 -1.669 5.776 307 HA PRO 4 HA PRO 4 9.456 4.310 3.712 308 HB2 PRO 4 HB2 PRO 4 8.156 5.478 6.137 309 HB3 PRO 4 HB1 PRO 4 8.276 6.138 4.496 310 HG2 PRO 4 HG2 PRO 4 6.001 5.120 5.392 311 HG3 PRO 4 HG1 PRO 4 6.517 4.869 3.714 312 HD2 PRO 4 HD2 PRO 4 6.558 2.941 6.006 313 HD3 PRO 4 HD1 PRO 4 6.264 2.640 4.278 314 H PHE 5 HN PHE 5 9.043 3.598 7.194 315 HA PHE 5 HA PHE 5 11.571 4.697 7.948 316 HB2 PHE 5 HB2 PHE 5 10.792 4.398 10.038 317 HB3 PHE 5 HB1 PHE 5 9.294 3.833 9.298 318 HD1 PHE 5 HD1 PHE 5 12.383 2.855 11.002 319 HD2 PHE 5 HD2 PHE 5 8.876 1.407 8.987 320 HE1 PHE 5 HE1 PHE 5 12.799 0.585 11.909 321 HE2 PHE 5 HE2 PHE 5 9.293 -0.864 9.896 322 HZ PHE 5 HZ PHE 5 11.258 -1.278 11.353 323 H GLN 6 HN GLN 6 10.450 1.538 6.945 324 HA GLN 6 HA GLN 6 12.686 0.030 7.832 325 HB2 GLN 6 HB2 GLN 6 10.444 -0.888 7.101 326 HB3 GLN 6 HB1 GLN 6 10.942 -0.578 5.439 327 HG2 GLN 6 HG2 GLN 6 11.539 -2.842 5.841 328 HG3 GLN 6 HG1 GLN 6 13.047 -1.942 5.985 329 HE21 GLN 6 HE21 GLN 6 13.899 -3.651 7.440 330 HE22 GLN 6 HE22 GLN 6 13.373 -3.736 9.052 331 H ILE 7 HN ILE 7 11.947 1.723 4.808 332 HA ILE 7 HA ILE 7 14.212 0.844 3.347 333 HB ILE 7 HB ILE 7 12.520 3.340 3.093 334 HG12 ILE 7 HG12 ILE 7 12.548 0.856 1.366 335 HG13 ILE 7 HG11 ILE 7 11.498 1.002 2.777 336 HG21 ILE 7 HG21 ILE 7 14.629 2.150 1.267 337 HG22 ILE 7 HG22 ILE 7 14.667 3.739 2.029 338 HG23 ILE 7 HG23 ILE 7 13.485 3.393 0.768 339 HD11 ILE 7 HD11 ILE 7 10.426 1.699 0.596 340 HD12 ILE 7 HD12 ILE 7 11.570 3.041 0.543 341 HD13 ILE 7 HD13 ILE 7 10.398 2.933 1.856 342 H LEU 8 HN LEU 8 13.608 3.750 5.304 343 HA LEU 8 HA LEU 8 16.207 4.855 4.853 344 HB2 LEU 8 HB2 LEU 8 14.200 6.181 5.559 345 HB3 LEU 8 HB1 LEU 8 14.332 5.437 7.152 346 HG LEU 8 HG LEU 8 16.736 6.275 7.209 347 HD11 LEU 8 HD11 LEU 8 17.122 6.717 4.873 348 HD12 LEU 8 HD12 LEU 8 17.129 8.275 5.699 349 HD13 LEU 8 HD13 LEU 8 15.710 7.771 4.782 350 HD21 LEU 8 HD21 LEU 8 14.415 8.220 7.086 351 HD22 LEU 8 HD22 LEU 8 16.008 8.645 7.712 352 HD23 LEU 8 HD23 LEU 8 15.048 7.401 8.515 353 H SER 9 HN SER 9 14.835 2.649 7.174 354 HA SER 9 HA SER 9 16.882 2.775 9.138 355 HB2 SER 9 HB2 SER 9 14.729 1.814 9.683 356 HB3 SER 9 HB1 SER 9 14.930 0.569 8.453 357 HG SER 9 HG SER 9 16.664 0.976 10.667 358 H ILE 10 HN ILE 10 16.320 0.488 6.459 359 HA ILE 10 HA ILE 10 18.751 -0.948 6.959 360 HB ILE 10 HB ILE 10 18.235 -2.097 4.836 361 HG12 ILE 10 HG12 ILE 10 15.751 -1.222 4.074 362 HG13 ILE 10 HG11 ILE 10 16.532 0.290 4.514 363 HG21 ILE 10 HG21 ILE 10 15.747 -1.658 6.516 364 HG22 ILE 10 HG22 ILE 10 17.081 -2.712 6.983 365 HG23 ILE 10 HG23 ILE 10 16.127 -3.081 5.546 366 HD11 ILE 10 HD11 ILE 10 17.367 -1.703 2.417 367 HD12 ILE 10 HD12 ILE 10 18.522 -0.544 3.076 368 HD13 ILE 10 HD13 ILE 10 17.079 0.026 2.235 369 H CYS 11 HN CYS 11 17.868 1.846 5.056 370 HA CYS 11 HA CYS 11 20.071 1.797 3.255 371 HB2 CYS 11 HB2 CYS 11 18.018 3.149 2.913 372 HB3 CYS 11 HB1 CYS 11 18.484 4.166 4.275 373 HG CYS 11 HG CYS 11 20.161 5.323 2.849 374 H SER 12 HN SER 12 19.502 3.628 6.267 375 HA SER 12 HA SER 12 22.119 4.749 6.364 376 HB2 SER 12 HB2 SER 12 20.030 4.389 8.521 377 HB3 SER 12 HB1 SER 12 21.524 5.299 8.728 378 HG SER 12 HG SER 12 20.779 6.833 7.450 379 H PHE 13 HN PHE 13 20.649 1.842 7.704 380 HA PHE 13 HA PHE 13 22.687 1.079 9.470 381 HB2 PHE 13 HB2 PHE 13 20.687 -0.146 9.614 382 HB3 PHE 13 HB1 PHE 13 20.651 -0.464 7.880 383 HD1 PHE 13 HD1 PHE 13 22.861 -1.053 10.862 384 HD2 PHE 13 HD2 PHE 13 21.376 -2.531 7.112 385 HE1 PHE 13 HE1 PHE 13 24.092 -3.179 11.210 386 HE2 PHE 13 HE2 PHE 13 22.605 -4.655 7.461 387 HZ PHE 13 HZ PHE 13 23.964 -4.980 9.509 388 H ILE 14 HN ILE 14 22.245 0.289 6.019 389 HA ILE 14 HA ILE 14 24.552 -1.310 5.754 390 HB ILE 14 HB ILE 14 23.025 0.363 3.750 391 HG12 ILE 14 HG12 ILE 14 23.140 -2.642 4.055 392 HG13 ILE 14 HG11 ILE 14 21.977 -1.666 4.951 393 HG21 ILE 14 HG21 ILE 14 25.307 -1.596 3.392 394 HG22 ILE 14 HG22 ILE 14 25.240 0.083 2.857 395 HG23 ILE 14 HG23 ILE 14 24.225 -1.131 2.080 396 HD11 ILE 14 HD11 ILE 14 20.927 -0.898 2.964 397 HD12 ILE 14 HD12 ILE 14 21.184 -2.623 2.704 398 HD13 ILE 14 HD13 ILE 14 22.262 -1.449 1.949 399 H LEU 15 HN LEU 15 24.018 2.164 5.192 400 HA LEU 15 HA LEU 15 26.657 2.733 4.329 401 HB2 LEU 15 HB2 LEU 15 24.270 4.247 5.087 402 HB3 LEU 15 HB1 LEU 15 25.770 5.065 5.521 403 HG LEU 15 HG LEU 15 25.885 3.887 2.843 404 HD11 LEU 15 HD11 LEU 15 24.375 5.701 1.889 405 HD12 LEU 15 HD12 LEU 15 23.733 5.902 3.519 406 HD13 LEU 15 HD13 LEU 15 23.545 4.361 2.680 407 HD21 LEU 15 HD21 LEU 15 27.485 5.535 3.780 408 HD22 LEU 15 HD22 LEU 15 26.180 6.713 3.911 409 HD23 LEU 15 HD23 LEU 15 26.706 6.154 2.324 410 H SER 16 HN SER 16 25.295 2.251 7.476 411 HA SER 16 HA SER 16 27.360 3.583 8.960 412 HB2 SER 16 HB2 SER 16 25.332 1.495 9.782 413 HB3 SER 16 HB1 SER 16 26.388 2.361 10.895 414 HG SER 16 HG SER 16 24.069 3.139 10.069 415 H ALA 17 HN ALA 17 26.705 0.234 8.000 416 HA ALA 17 HA ALA 17 28.941 -0.897 9.369 417 HB1 ALA 17 HB1 ALA 17 26.953 -2.211 8.660 418 HB2 ALA 17 HB2 ALA 17 28.467 -2.903 8.078 419 HB3 ALA 17 HB3 ALA 17 27.436 -1.987 6.978 420 H LEU 18 HN LEU 18 28.440 0.448 6.137 421 HA LEU 18 HA LEU 18 30.957 -0.444 5.099 422 HB2 LEU 18 HB2 LEU 18 28.971 1.646 4.184 423 HB3 LEU 18 HB1 LEU 18 30.409 1.183 3.270 424 HG LEU 18 HG LEU 18 28.393 -0.864 4.203 425 HD11 LEU 18 HD11 LEU 18 27.231 0.806 2.793 426 HD12 LEU 18 HD12 LEU 18 27.389 -0.741 1.961 427 HD13 LEU 18 HD13 LEU 18 28.460 0.596 1.545 428 HD21 LEU 18 HD21 LEU 18 30.545 -1.763 3.533 429 HD22 LEU 18 HD22 LEU 18 30.543 -0.786 2.066 430 HD23 LEU 18 HD23 LEU 18 29.388 -2.104 2.249 431 H HIS 19 HN HIS 19 29.780 2.449 6.763 432 HA HIS 19 HA HIS 19 32.000 4.120 6.224 433 HB2 HIS 19 HB2 HIS 19 29.886 5.027 7.032 434 HB3 HIS 19 HB1 HIS 19 30.044 4.117 8.533 435 HD2 HIS 19 HD2 HIS 19 31.569 7.322 6.849 436 HE1 HIS 19 HE1 HIS 19 33.116 7.039 10.767 437 HE2 HIS 19 HE2 HIS 19 32.974 8.509 8.701 438 H PHE 20 HN PHE 20 31.200 1.993 8.977 439 HA PHE 20 HA PHE 20 33.643 2.544 10.359 440 HB2 PHE 20 HB2 PHE 20 31.296 0.843 10.750 441 HB3 PHE 20 HB1 PHE 20 32.797 0.093 11.294 442 HD1 PHE 20 HD1 PHE 20 30.994 3.391 11.441 443 HD2 PHE 20 HD2 PHE 20 33.629 0.622 13.403 444 HE1 PHE 20 HE1 PHE 20 31.013 4.836 13.459 445 HE2 PHE 20 HE2 PHE 20 33.645 2.066 15.419 446 HZ PHE 20 HZ PHE 20 32.347 4.172 15.451 447 H MET 21 HN MET 21 32.670 0.270 7.887 448 HA MET 21 HA MET 21 34.738 -1.625 8.162 449 HB2 MET 21 HB2 MET 21 32.748 -0.876 6.155 450 HB3 MET 21 HB1 MET 21 34.247 -1.478 5.445 451 HG2 MET 21 HG2 MET 21 32.934 -2.928 7.740 452 HG3 MET 21 HG1 MET 21 32.420 -3.212 6.076 453 HE1 MET 21 HE1 MET 21 34.480 -6.362 6.776 454 HE2 MET 21 HE2 MET 21 33.180 -5.748 5.756 455 HE3 MET 21 HE3 MET 21 33.114 -5.503 7.500 456 H ALA 22 HN ALA 22 34.526 1.170 5.933 457 HA ALA 22 HA ALA 22 37.184 0.951 5.001 458 HB1 ALA 22 HB1 ALA 22 35.153 2.345 4.100 459 HB2 ALA 22 HB2 ALA 22 36.798 2.935 3.865 460 HB3 ALA 22 HB3 ALA 22 35.799 3.602 5.155 461 H TRP 23 HN TRP 23 35.740 2.769 7.674 462 HA TRP 23 HA TRP 23 37.956 4.315 8.399 463 HB2 TRP 23 HB2 TRP 23 35.408 3.617 9.518 464 HB3 TRP 23 HB1 TRP 23 36.643 3.520 10.775 465 HD1 TRP 23 HD1 TRP 23 35.329 5.988 8.113 466 HE1 TRP 23 HE1 TRP 23 35.817 8.382 8.939 467 HE3 TRP 23 HE3 TRP 23 37.964 4.941 12.360 468 HZ2 TRP 23 HZ2 TRP 23 37.152 9.680 11.112 469 HZ3 TRP 23 HZ3 TRP 23 38.830 6.772 13.790 470 HH2 TRP 23 HH2 TRP 23 38.426 9.138 13.171 471 H THR 24 HN THR 24 36.993 1.081 9.536 472 HA THR 24 HA THR 24 39.081 0.653 11.332 473 HB THR 24 HB THR 24 37.660 -1.371 9.583 474 HG1 THR 24 HG1 THR 24 36.445 -1.608 11.573 475 HG21 THR 24 HG21 THR 24 39.627 -2.387 10.509 476 HG22 THR 24 HG22 THR 24 38.267 -2.906 11.504 477 HG23 THR 24 HG23 THR 24 39.347 -1.634 12.080 478 H ILE 25 HN ILE 25 38.896 -0.002 7.838 479 HA ILE 25 HA ILE 25 41.447 -1.229 7.621 480 HB ILE 25 HB ILE 25 39.805 0.282 5.571 481 HG12 ILE 25 HG12 ILE 25 40.111 -2.705 5.977 482 HG13 ILE 25 HG11 ILE 25 38.807 -1.776 6.717 483 HG21 ILE 25 HG21 ILE 25 42.278 -1.452 5.362 484 HG22 ILE 25 HG22 ILE 25 42.020 0.166 4.709 485 HG23 ILE 25 HG23 ILE 25 41.188 -1.216 3.995 486 HD11 ILE 25 HD11 ILE 25 38.039 -1.039 4.515 487 HD12 ILE 25 HD12 ILE 25 38.119 -2.801 4.556 488 HD13 ILE 25 HD13 ILE 25 39.382 -1.878 3.740 489 H GLY 26 HN GLY 26 40.341 2.088 7.360 490 HA2 GLY 26 HA2 GLY 26 42.672 3.320 6.406 491 HA3 GLY 26 HA1 GLY 26 41.480 4.115 7.432 492 H HIS 27 HN HIS 27 41.644 2.802 9.783 493 HA HIS 27 HA HIS 27 43.992 3.856 10.966 494 HB2 HIS 27 HB2 HIS 27 41.783 2.059 11.908 495 HB3 HIS 27 HB1 HIS 27 43.205 2.315 12.919 496 HD2 HIS 27 HD2 HIS 27 41.986 4.088 14.747 497 HE1 HIS 27 HE1 HIS 27 40.878 7.011 11.909 498 HE2 HIS 27 HE2 HIS 27 41.025 6.489 14.390 499 H LEU 28 HN LEU 28 43.120 0.676 9.750 500 HA LEU 28 HA LEU 28 45.182 -0.820 10.915 501 HB2 LEU 28 HB2 LEU 28 43.146 -1.268 9.024 502 HB3 LEU 28 HB1 LEU 28 44.650 -1.681 8.204 503 HG LEU 28 HG LEU 28 43.787 -3.657 9.339 504 HD11 LEU 28 HD11 LEU 28 46.317 -3.017 9.377 505 HD12 LEU 28 HD12 LEU 28 45.760 -4.323 10.420 506 HD13 LEU 28 HD13 LEU 28 46.054 -2.721 11.096 507 HD21 LEU 28 HD21 LEU 28 43.217 -3.731 11.632 508 HD22 LEU 28 HD22 LEU 28 42.546 -2.195 11.088 509 HD23 LEU 28 HD23 LEU 28 44.063 -2.226 11.987 510 H ASN 29 HN ASN 29 45.154 1.314 8.111 511 HA ASN 29 HA ASN 29 46.860 2.045 6.736 512 HB2 ASN 29 HB2 ASN 29 48.506 1.460 9.210 513 HB3 ASN 29 HB1 ASN 29 49.003 2.479 7.859 514 HD21 ASN 29 HD21 ASN 29 48.075 2.902 10.904 515 HD22 ASN 29 HD22 ASN 29 47.090 4.278 10.767 516 H GLN 30 HN GLN 30 46.234 -0.438 6.007 517 HA GLN 30 HA GLN 30 48.063 -2.505 6.204 518 HB2 GLN 30 HB2 GLN 30 47.107 -3.396 4.217 519 HB3 GLN 30 HB1 GLN 30 45.813 -2.479 4.986 520 HG2 GLN 30 HG2 GLN 30 46.474 -0.511 3.536 521 HG3 GLN 30 HG1 GLN 30 47.545 -1.604 2.662 522 HE21 GLN 30 HE21 GLN 30 46.565 -2.280 0.762 523 HE22 GLN 30 HE22 GLN 30 44.918 -2.654 0.596 524 H ILE 31 HN ILE 31 48.296 0.479 4.420 525 HA ILE 31 HA ILE 31 50.387 -0.267 2.647 526 HB ILE 31 HB ILE 31 50.770 2.225 2.502 527 HG12 ILE 31 HG12 ILE 31 48.325 2.416 4.270 528 HG13 ILE 31 HG11 ILE 31 49.957 2.542 4.930 529 HG21 ILE 31 HG21 ILE 31 48.428 2.655 1.588 530 HG22 ILE 31 HG22 ILE 31 48.002 1.047 2.174 531 HG23 ILE 31 HG23 ILE 31 49.249 1.235 0.941 532 HD11 ILE 31 HD11 ILE 31 48.967 4.769 4.380 533 HD12 ILE 31 HD12 ILE 31 48.870 4.274 2.689 534 HD13 ILE 31 HD13 ILE 31 50.442 4.437 3.473 535 H LYS 32 HN LYS 32 52.567 0.946 2.772 536 HA LYS 32 HA LYS 32 54.137 -0.109 4.777 537 HB2 LYS 32 HB2 LYS 32 55.861 1.449 4.089 538 HB3 LYS 32 HB1 LYS 32 54.973 0.917 2.659 539 HG2 LYS 32 HG2 LYS 32 53.554 2.980 2.846 540 HG3 LYS 32 HG1 LYS 32 54.602 3.527 4.155 541 HD2 LYS 32 HD2 LYS 32 56.545 3.475 2.651 542 HD3 LYS 32 HD1 LYS 32 55.526 2.882 1.339 543 HE2 LYS 32 HE2 LYS 32 55.814 5.288 1.087 544 HE3 LYS 32 HE1 LYS 32 54.141 4.954 1.536 545 HZ1 LYS 32 HZ1 LYS 32 55.084 6.777 2.828 546 HZ2 LYS 32 HZ2 LYS 32 56.298 5.745 3.419 547 HZ3 LYS 32 HZ3 LYS 32 54.671 5.468 3.823 548 H ARG 33 HN ARG 33 54.771 0.488 6.795 549 HA ARG 33 HA ARG 33 53.143 2.441 8.173 550 HB2 ARG 33 HB2 ARG 33 55.285 0.496 9.001 551 HB3 ARG 33 HB1 ARG 33 54.674 1.712 10.125 552 HG2 ARG 33 HG2 ARG 33 52.591 0.742 10.261 553 HG3 ARG 33 HG1 ARG 33 52.660 0.114 8.612 554 HD2 ARG 33 HD2 ARG 33 54.363 -1.546 9.354 555 HD3 ARG 33 HD1 ARG 33 54.181 -0.962 11.003 556 HE ARG 33 HE ARG 33 51.633 -1.613 10.270 557 HH11 ARG 33 HH11 ARG 33 54.694 -3.286 10.222 558 HH12 ARG 33 HH12 ARG 33 53.977 -4.846 10.449 559 HH21 ARG 33 HH21 ARG 33 50.728 -3.664 10.562 560 HH22 ARG 33 HH22 ARG 33 51.751 -5.059 10.641 561 H1 MET 1 HT1 MET 1 7.380 -3.916 23.187 562 H2 MET 1 HT2 MET 1 8.057 -3.510 24.692 563 H3 MET 1 HT3 MET 1 8.935 -3.244 23.261 564 HA MET 1 HA MET 1 6.462 -1.929 23.056 565 HB2 MET 1 HB2 MET 1 7.849 -1.778 25.685 566 HB3 MET 1 HB1 MET 1 7.326 -0.244 24.992 567 HG2 MET 1 HG2 MET 1 5.070 -1.527 24.571 568 HG3 MET 1 HG1 MET 1 5.668 -2.595 25.839 569 HE1 MET 1 HE1 MET 1 5.387 -2.263 28.170 570 HE2 MET 1 HE2 MET 1 5.607 -0.735 29.020 571 HE3 MET 1 HE3 MET 1 6.919 -1.390 28.043 572 H PHE 2 HN PHE 2 8.309 -2.211 21.236 573 HA PHE 2 HA PHE 2 9.869 0.305 21.281 574 HB2 PHE 2 HB2 PHE 2 10.598 -2.306 19.931 575 HB3 PHE 2 HB1 PHE 2 11.529 -0.810 19.847 576 HD1 PHE 2 HD1 PHE 2 11.109 -3.853 21.603 577 HD2 PHE 2 HD2 PHE 2 12.123 0.279 22.188 578 HE1 PHE 2 HE1 PHE 2 12.227 -4.430 23.739 579 HE2 PHE 2 HE2 PHE 2 13.242 -0.298 24.325 580 HZ PHE 2 HZ PHE 2 13.293 -2.653 25.100 581 H GLU 3 HN GLU 3 9.340 1.720 19.751 582 HA GLU 3 HA GLU 3 7.502 0.893 17.641 583 HB2 GLU 3 HB2 GLU 3 8.431 3.582 18.643 584 HB3 GLU 3 HB1 GLU 3 7.425 3.400 17.206 585 HG2 GLU 3 HG2 GLU 3 5.710 2.245 18.519 586 HG3 GLU 3 HG1 GLU 3 6.720 2.352 19.961 587 HA PRO 4 HA PRO 4 10.290 0.792 14.243 588 HB2 PRO 4 HB2 PRO 4 8.706 2.969 12.950 589 HB3 PRO 4 HB1 PRO 4 9.148 1.370 12.322 590 HG2 PRO 4 HG2 PRO 4 6.681 1.878 13.147 591 HG3 PRO 4 HG1 PRO 4 7.446 0.309 13.455 592 HD2 PRO 4 HD2 PRO 4 6.955 2.571 15.355 593 HD3 PRO 4 HD1 PRO 4 6.928 0.818 15.652 594 H PHE 5 HN PHE 5 9.256 4.156 14.877 595 HA PHE 5 HA PHE 5 11.704 5.316 13.970 596 HB2 PHE 5 HB2 PHE 5 10.571 7.249 14.185 597 HB3 PHE 5 HB1 PHE 5 9.178 6.270 14.641 598 HD1 PHE 5 HD1 PHE 5 11.856 8.459 15.834 599 HD2 PHE 5 HD2 PHE 5 8.625 5.892 17.031 600 HE1 PHE 5 HE1 PHE 5 11.935 9.425 18.116 601 HE2 PHE 5 HE2 PHE 5 8.704 6.859 19.315 602 HZ PHE 5 HZ PHE 5 10.360 8.627 19.856 603 H GLN 6 HN GLN 6 10.516 4.144 17.048 604 HA GLN 6 HA GLN 6 12.453 5.378 18.713 605 HB2 GLN 6 HB2 GLN 6 10.297 4.287 19.463 606 HB3 GLN 6 HB1 GLN 6 11.086 2.729 19.211 607 HG2 GLN 6 HG2 GLN 6 11.430 3.221 21.511 608 HG3 GLN 6 HG1 GLN 6 12.960 3.614 20.726 609 HE21 GLN 6 HE21 GLN 6 13.422 5.189 22.480 610 HE22 GLN 6 HE22 GLN 6 12.633 6.692 22.504 611 H ILE 7 HN ILE 7 12.358 2.277 16.995 612 HA ILE 7 HA ILE 7 14.753 1.208 18.070 613 HB ILE 7 HB ILE 7 13.327 0.680 15.452 614 HG12 ILE 7 HG12 ILE 7 13.442 -1.018 17.951 615 HG13 ILE 7 HG11 ILE 7 12.189 0.199 17.706 616 HG21 ILE 7 HG21 ILE 7 15.607 -0.774 16.827 617 HG22 ILE 7 HG22 ILE 7 15.645 -0.014 15.235 618 HG23 ILE 7 HG23 ILE 7 14.662 -1.453 15.503 619 HD11 ILE 7 HD11 ILE 7 11.551 -2.129 16.955 620 HD12 ILE 7 HD12 ILE 7 12.790 -1.993 15.709 621 HD13 ILE 7 HD13 ILE 7 11.412 -0.892 15.707 622 H LEU 8 HN LEU 8 14.071 3.050 15.094 623 HA LEU 8 HA LEU 8 16.784 3.026 14.211 624 HB2 LEU 8 HB2 LEU 8 14.799 3.396 12.723 625 HB3 LEU 8 HB1 LEU 8 14.610 4.988 13.459 626 HG LEU 8 HG LEU 8 17.030 5.441 12.806 627 HD11 LEU 8 HD11 LEU 8 17.826 3.199 12.421 628 HD12 LEU 8 HD12 LEU 8 17.822 4.021 10.861 629 HD13 LEU 8 HD13 LEU 8 16.538 2.882 11.262 630 HD21 LEU 8 HD21 LEU 8 14.918 4.939 10.692 631 HD22 LEU 8 HD22 LEU 8 16.415 5.820 10.383 632 HD23 LEU 8 HD23 LEU 8 15.243 6.452 11.539 633 H SER 9 HN SER 9 14.875 5.099 16.267 634 HA SER 9 HA SER 9 16.581 7.364 16.285 635 HB2 SER 9 HB2 SER 9 14.297 7.543 17.071 636 HB3 SER 9 HB1 SER 9 14.601 6.362 18.342 637 HG SER 9 HG SER 9 15.973 8.833 18.045 638 H ILE 10 HN ILE 10 16.283 4.630 18.556 639 HA ILE 10 HA ILE 10 18.484 5.513 20.166 640 HB ILE 10 HB ILE 10 18.234 3.334 21.297 641 HG12 ILE 10 HG12 ILE 10 15.986 2.176 20.241 642 HG13 ILE 10 HG11 ILE 10 16.800 2.740 18.789 643 HG21 ILE 10 HG21 ILE 10 15.546 4.582 20.647 644 HG22 ILE 10 HG22 ILE 10 16.700 5.262 21.796 645 HG23 ILE 10 HG23 ILE 10 15.968 3.687 22.107 646 HD11 ILE 10 HD11 ILE 10 17.810 0.807 20.865 647 HD12 ILE 10 HD12 ILE 10 18.927 1.648 19.789 648 HD13 ILE 10 HD13 ILE 10 17.691 0.583 19.120 649 H CYS 11 HN CYS 11 18.152 3.504 17.327 650 HA CYS 11 HA CYS 11 20.605 2.084 17.577 651 HB2 CYS 11 HB2 CYS 11 18.750 1.409 16.074 652 HB3 CYS 11 HB1 CYS 11 19.066 2.831 15.080 653 HG CYS 11 HG CYS 11 21.040 1.703 14.075 654 H SER 12 HN SER 12 19.697 4.967 15.660 655 HA SER 12 HA SER 12 22.341 5.488 14.757 656 HB2 SER 12 HB2 SER 12 19.907 7.275 14.929 657 HB3 SER 12 HB1 SER 12 21.414 7.724 14.135 658 HG SER 12 HG SER 12 21.007 6.343 12.561 659 H PHE 13 HN PHE 13 20.443 6.575 17.522 660 HA PHE 13 HA PHE 13 22.101 8.644 18.422 661 HB2 PHE 13 HB2 PHE 13 20.015 8.455 19.485 662 HB3 PHE 13 HB1 PHE 13 20.240 6.737 19.820 663 HD1 PHE 13 HD1 PHE 13 21.873 10.044 20.546 664 HD2 PHE 13 HD2 PHE 13 20.917 6.097 21.946 665 HE1 PHE 13 HE1 PHE 13 22.858 10.588 22.756 666 HE2 PHE 13 HE2 PHE 13 21.902 6.640 24.155 667 HZ PHE 13 HZ PHE 13 22.873 8.886 24.561 668 H ILE 14 HN ILE 14 22.167 5.167 19.219 669 HA ILE 14 HA ILE 14 24.357 5.282 20.990 670 HB ILE 14 HB ILE 14 23.316 3.055 19.229 671 HG12 ILE 14 HG12 ILE 14 23.144 3.370 22.230 672 HG13 ILE 14 HG11 ILE 14 21.930 4.065 21.156 673 HG21 ILE 14 HG21 ILE 14 25.465 3.078 21.364 674 HG22 ILE 14 HG22 ILE 14 25.621 2.542 19.691 675 HG23 ILE 14 HG23 ILE 14 24.655 1.605 20.831 676 HD11 ILE 14 HD11 ILE 14 21.285 1.933 20.330 677 HD12 ILE 14 HD12 ILE 14 21.441 1.716 22.072 678 HD13 ILE 14 HD13 ILE 14 22.720 1.151 20.996 679 H LEU 15 HN LEU 15 24.198 4.644 17.488 680 HA LEU 15 HA LEU 15 26.978 4.231 17.142 681 HB2 LEU 15 HB2 LEU 15 24.627 4.589 15.437 682 HB3 LEU 15 HB1 LEU 15 26.095 5.264 14.734 683 HG LEU 15 HG LEU 15 26.555 2.638 15.948 684 HD11 LEU 15 HD11 LEU 15 25.365 1.450 14.036 685 HD12 LEU 15 HD12 LEU 15 24.483 2.954 13.766 686 HD13 LEU 15 HD13 LEU 15 24.316 2.095 15.298 687 HD21 LEU 15 HD21 LEU 15 28.102 3.828 14.417 688 HD22 LEU 15 HD22 LEU 15 26.889 3.742 13.139 689 HD23 LEU 15 HD23 LEU 15 27.623 2.263 13.759 690 H SER 16 HN SER 16 25.079 7.112 17.468 691 HA SER 16 HA SER 16 26.975 8.916 16.295 692 HB2 SER 16 HB2 SER 16 24.684 9.391 18.211 693 HB3 SER 16 HB1 SER 16 25.606 10.663 17.414 694 HG SER 16 HG SER 16 23.521 9.469 16.472 695 H ALA 17 HN ALA 17 26.220 7.866 19.596 696 HA ALA 17 HA ALA 17 28.111 9.572 20.879 697 HB1 ALA 17 HB1 ALA 17 26.169 8.544 22.042 698 HB2 ALA 17 HB2 ALA 17 27.698 8.219 22.857 699 HB3 ALA 17 HB3 ALA 17 26.938 6.966 21.876 700 H LEU 18 HN LEU 18 28.258 6.303 19.535 701 HA LEU 18 HA LEU 18 30.832 5.695 20.634 702 HB2 LEU 18 HB2 LEU 18 29.193 4.467 18.409 703 HB3 LEU 18 HB1 LEU 18 30.720 3.802 18.992 704 HG LEU 18 HG LEU 18 28.425 4.387 20.865 705 HD11 LEU 18 HD11 LEU 18 27.644 2.807 19.127 706 HD12 LEU 18 HD12 LEU 18 27.814 2.011 20.690 707 HD13 LEU 18 HD13 LEU 18 29.040 1.779 19.445 708 HD21 LEU 18 HD21 LEU 18 30.581 4.079 21.935 709 HD22 LEU 18 HD22 LEU 18 30.895 2.632 20.978 710 HD23 LEU 18 HD23 LEU 18 29.626 2.622 22.202 711 H HIS 19 HN HIS 19 29.626 7.157 17.644 712 HA HIS 19 HA HIS 19 32.029 6.981 16.152 713 HB2 HIS 19 HB2 HIS 19 29.890 7.433 15.074 714 HB3 HIS 19 HB1 HIS 19 29.725 8.938 15.977 715 HD2 HIS 19 HD2 HIS 19 31.751 7.535 12.918 716 HE1 HIS 19 HE1 HIS 19 32.608 11.651 13.277 717 HE2 HIS 19 HE2 HIS 19 32.922 9.594 11.822 718 H PHE 20 HN PHE 20 30.623 9.565 18.173 719 HA PHE 20 HA PHE 20 32.842 11.328 17.803 720 HB2 PHE 20 HB2 PHE 20 30.338 11.323 19.314 721 HB3 PHE 20 HB1 PHE 20 31.665 12.110 20.169 722 HD1 PHE 20 HD1 PHE 20 30.126 11.949 16.742 723 HD2 PHE 20 HD2 PHE 20 32.175 14.330 19.675 724 HE1 PHE 20 HE1 PHE 20 29.918 13.939 15.276 725 HE2 PHE 20 HE2 PHE 20 31.965 16.317 18.207 726 HZ PHE 20 HZ PHE 20 30.837 16.121 16.011 727 H MET 21 HN MET 21 32.111 8.729 20.027 728 HA MET 21 HA MET 21 33.953 9.339 22.069 729 HB2 MET 21 HB2 MET 21 32.386 7.031 21.194 730 HB3 MET 21 HB1 MET 21 33.930 6.578 21.920 731 HG2 MET 21 HG2 MET 21 32.144 8.622 23.234 732 HG3 MET 21 HG1 MET 21 31.892 6.897 23.499 733 HE1 MET 21 HE1 MET 21 33.551 7.924 26.788 734 HE2 MET 21 HE2 MET 21 32.493 6.703 26.088 735 HE3 MET 21 HE3 MET 21 32.156 8.410 25.816 736 H ALA 22 HN ALA 22 34.328 7.107 19.291 737 HA ALA 22 HA ALA 22 37.080 6.626 19.727 738 HB1 ALA 22 HB1 ALA 22 35.340 5.405 18.190 739 HB2 ALA 22 HB2 ALA 22 37.043 5.444 17.734 740 HB3 ALA 22 HB3 ALA 22 35.901 6.554 16.975 741 H TRP 23 HN TRP 23 35.363 9.026 17.770 742 HA TRP 23 HA TRP 23 37.544 10.110 16.394 743 HB2 TRP 23 HB2 TRP 23 34.801 10.795 16.880 744 HB3 TRP 23 HB1 TRP 23 35.801 12.236 17.058 745 HD1 TRP 23 HD1 TRP 23 35.143 9.396 14.527 746 HE1 TRP 23 HE1 TRP 23 35.674 10.295 12.167 747 HE3 TRP 23 HE3 TRP 23 36.946 14.021 15.725 748 HZ2 TRP 23 HZ2 TRP 23 36.730 12.661 10.951 749 HZ3 TRP 23 HZ3 TRP 23 37.705 15.578 13.955 750 HH2 TRP 23 HH2 TRP 23 37.600 14.902 11.568 751 H THR 24 HN THR 24 36.151 11.080 19.525 752 HA THR 24 HA THR 24 37.882 13.184 20.098 753 HB THR 24 HB THR 24 36.611 11.221 22.026 754 HG1 THR 24 HG1 THR 24 35.070 12.982 22.145 755 HG21 THR 24 HG21 THR 24 38.313 12.457 23.182 756 HG22 THR 24 HG22 THR 24 36.772 13.215 23.582 757 HG23 THR 24 HG23 THR 24 37.838 13.962 22.391 758 H ILE 25 HN ILE 25 38.215 9.709 20.780 759 HA ILE 25 HA ILE 25 40.666 9.908 22.200 760 HB ILE 25 HB ILE 25 39.507 7.618 20.591 761 HG12 ILE 25 HG12 ILE 25 39.507 8.066 23.589 762 HG13 ILE 25 HG11 ILE 25 38.177 8.582 22.552 763 HG21 ILE 25 HG21 ILE 25 41.838 7.818 22.514 764 HG22 ILE 25 HG22 ILE 25 41.819 7.133 20.889 765 HG23 ILE 25 HG23 ILE 25 41.011 6.291 22.210 766 HD11 ILE 25 HD11 ILE 25 37.842 6.285 21.783 767 HD12 ILE 25 HD12 ILE 25 37.776 6.334 23.546 768 HD13 ILE 25 HD13 ILE 25 39.225 5.742 22.732 769 H GLY 26 HN GLY 26 39.883 9.479 18.805 770 HA2 GLY 26 HA2 GLY 26 42.432 8.919 17.778 771 HA3 GLY 26 HA1 GLY 26 41.154 9.734 16.878 772 H HIS 27 HN HIS 27 40.824 12.077 18.172 773 HA HIS 27 HA HIS 27 43.020 13.634 17.292 774 HB2 HIS 27 HB2 HIS 27 40.553 14.197 18.902 775 HB3 HIS 27 HB1 HIS 27 41.806 15.429 18.743 776 HD2 HIS 27 HD2 HIS 27 40.444 17.034 16.861 777 HE1 HIS 27 HE1 HIS 27 40.053 14.056 13.895 778 HE2 HIS 27 HE2 HIS 27 39.747 16.527 14.396 779 H LEU 28 HN LEU 28 42.109 12.295 20.411 780 HA LEU 28 HA LEU 28 43.834 13.774 22.047 781 HB2 LEU 28 HB2 LEU 28 42.106 11.572 22.356 782 HB3 LEU 28 HB1 LEU 28 43.687 11.012 22.894 783 HG LEU 28 HG LEU 28 42.496 11.986 24.784 784 HD11 LEU 28 HD11 LEU 28 45.028 12.440 24.341 785 HD12 LEU 28 HD12 LEU 28 44.206 13.376 25.588 786 HD13 LEU 28 HD13 LEU 28 44.510 14.094 24.007 787 HD21 LEU 28 HD21 LEU 28 41.553 14.153 24.786 788 HD22 LEU 28 HD22 LEU 28 41.104 13.510 23.208 789 HD23 LEU 28 HD23 LEU 28 42.446 14.646 23.349 790 H ASN 29 HN ASN 29 44.432 11.006 19.948 791 HA ASN 29 HA ASN 29 46.394 9.932 19.367 792 HB2 ASN 29 HB2 ASN 29 47.560 12.644 20.049 793 HB3 ASN 29 HB1 ASN 29 48.350 11.395 19.088 794 HD21 ASN 29 HD21 ASN 29 46.967 14.245 18.560 795 HD22 ASN 29 HD22 ASN 29 46.131 13.949 17.114 796 H GLN 30 HN GLN 30 45.705 9.106 21.805 797 HA GLN 30 HA GLN 30 47.309 9.600 24.003 798 HB2 GLN 30 HB2 GLN 30 46.626 7.482 24.841 799 HB3 GLN 30 HB1 GLN 30 45.297 8.029 23.818 800 HG2 GLN 30 HG2 GLN 30 46.339 6.709 21.923 801 HG3 GLN 30 HG1 GLN 30 47.451 6.023 23.105 802 HE21 GLN 30 HE21 GLN 30 46.748 3.988 23.726 803 HE22 GLN 30 HE22 GLN 30 45.127 3.550 23.974 804 H ILE 31 HN ILE 31 48.064 7.883 21.068 805 HA ILE 31 HA ILE 31 50.353 6.478 21.994 806 HB ILE 31 HB ILE 31 50.948 6.402 19.540 807 HG12 ILE 31 HG12 ILE 31 48.268 7.743 19.140 808 HG13 ILE 31 HG11 ILE 31 49.773 8.663 19.133 809 HG21 ILE 31 HG21 ILE 31 48.829 5.115 18.940 810 HG22 ILE 31 HG22 ILE 31 48.187 5.620 20.503 811 HG23 ILE 31 HG23 ILE 31 49.632 4.611 20.427 812 HD11 ILE 31 HD11 ILE 31 49.065 7.960 16.843 813 HD12 ILE 31 HD12 ILE 31 49.208 6.276 17.347 814 HD13 ILE 31 HD13 ILE 31 50.640 7.308 17.297 815 H LYS 32 HN LYS 32 52.571 6.963 20.952 816 HA LYS 32 HA LYS 32 53.701 9.197 22.102 817 HB2 LYS 32 HB2 LYS 32 55.634 8.804 20.689 818 HB3 LYS 32 HB1 LYS 32 54.954 7.250 21.169 819 HG2 LYS 32 HG2 LYS 32 53.690 7.200 19.001 820 HG3 LYS 32 HG1 LYS 32 54.547 8.664 18.519 821 HD2 LYS 32 HD2 LYS 32 56.700 7.501 18.741 822 HD3 LYS 32 HD1 LYS 32 55.866 6.039 19.267 823 HE2 LYS 32 HE2 LYS 32 56.381 5.842 16.894 824 HE3 LYS 32 HE1 LYS 32 54.636 6.008 17.092 825 HZ1 LYS 32 HZ1 LYS 32 55.494 7.440 15.334 826 HZ2 LYS 32 HZ2 LYS 32 56.509 8.221 16.449 827 HZ3 LYS 32 HZ3 LYS 32 54.822 8.352 16.597 828 H ARG 33 HN ARG 33 54.041 11.294 21.533 829 HA ARG 33 HA ARG 33 52.367 12.387 19.443 830 HB2 ARG 33 HB2 ARG 33 54.184 13.554 21.540 831 HB3 ARG 33 HB1 ARG 33 53.495 14.562 20.267 832 HG2 ARG 33 HG2 ARG 33 51.347 14.354 21.071 833 HG3 ARG 33 HG1 ARG 33 51.637 12.738 21.720 834 HD2 ARG 33 HD2 ARG 33 53.059 13.747 23.500 835 HD3 ARG 33 HD1 ARG 33 52.654 15.345 22.883 836 HE ARG 33 HE ARG 33 50.219 14.203 23.343 837 HH11 ARG 33 HH11 ARG 33 53.105 14.653 25.251 838 HH12 ARG 33 HH12 ARG 33 52.241 14.756 26.747 839 HH21 ARG 33 HH21 ARG 33 49.121 14.337 25.313 840 HH22 ARG 33 HH22 ARG 33 50.003 14.579 26.785 841 H1 MET 1 HT1 MET 1 4.227 19.529 21.904 842 H2 MET 1 HT2 MET 1 4.700 21.138 21.640 843 H3 MET 1 HT3 MET 1 5.807 19.873 21.395 844 HA MET 1 HA MET 1 3.526 19.386 19.831 845 HB2 MET 1 HB2 MET 1 4.505 22.194 19.943 846 HB3 MET 1 HB1 MET 1 4.235 21.527 18.334 847 HG2 MET 1 HG2 MET 1 1.961 20.701 19.366 848 HG3 MET 1 HG1 MET 1 2.260 21.975 20.547 849 HE1 MET 1 HE1 MET 1 1.658 24.257 20.298 850 HE2 MET 1 HE2 MET 1 1.887 25.220 18.841 851 HE3 MET 1 HE3 MET 1 3.267 24.409 19.576 852 H PHE 2 HN PHE 2 5.593 17.843 20.211 853 HA PHE 2 HA PHE 2 7.353 18.270 17.869 854 HB2 PHE 2 HB2 PHE 2 8.037 16.884 20.473 855 HB3 PHE 2 HB1 PHE 2 9.103 17.032 19.075 856 HD1 PHE 2 HD1 PHE 2 8.142 18.515 22.141 857 HD2 PHE 2 HD2 PHE 2 9.433 19.496 18.163 858 HE1 PHE 2 HE1 PHE 2 8.863 20.753 22.928 859 HE2 PHE 2 HE2 PHE 2 10.155 21.734 18.950 860 HZ PHE 2 HZ PHE 2 9.870 22.362 21.332 861 H GLU 3 HN GLU 3 7.195 16.769 16.338 862 HA GLU 3 HA GLU 3 5.631 14.367 16.876 863 HB2 GLU 3 HB2 GLU 3 6.640 15.659 14.345 864 HB3 GLU 3 HB1 GLU 3 5.854 14.079 14.356 865 HG2 GLU 3 HG2 GLU 3 3.859 15.051 15.394 866 HG3 GLU 3 HG1 GLU 3 4.641 16.630 15.457 867 HA PRO 4 HA PRO 4 8.883 11.412 17.098 868 HB2 PRO 4 HB2 PRO 4 7.720 10.040 14.712 869 HB3 PRO 4 HB1 PRO 4 8.102 9.384 16.317 870 HG2 PRO 4 HG2 PRO 4 5.597 9.869 15.604 871 HG3 PRO 4 HG1 PRO 4 6.158 10.190 17.255 872 HD2 PRO 4 HD2 PRO 4 5.595 12.132 15.046 873 HD3 PRO 4 HD1 PRO 4 5.361 12.314 16.799 874 H PHE 5 HN PHE 5 8.078 12.097 13.680 875 HA PHE 5 HA PHE 5 10.731 11.634 12.728 876 HB2 PHE 5 HB2 PHE 5 9.759 11.796 10.704 877 HB3 PHE 5 HB1 PHE 5 8.229 11.982 11.559 878 HD1 PHE 5 HD1 PHE 5 10.885 13.687 9.708 879 HD2 PHE 5 HD2 PHE 5 7.289 14.239 11.992 880 HE1 PHE 5 HE1 PHE 5 10.704 16.011 8.861 881 HE2 PHE 5 HE2 PHE 5 7.108 16.563 11.145 882 HZ PHE 5 HZ PHE 5 8.817 17.447 9.578 883 H GLN 6 HN GLN 6 8.988 14.419 13.927 884 HA GLN 6 HA GLN 6 10.751 16.428 12.964 885 HB2 GLN 6 HB2 GLN 6 8.415 16.785 13.866 886 HB3 GLN 6 HB1 GLN 6 9.086 16.555 15.483 887 HG2 GLN 6 HG2 GLN 6 9.121 18.907 15.137 888 HG3 GLN 6 HG1 GLN 6 10.781 18.381 14.863 889 HE21 GLN 6 HE21 GLN 6 11.116 20.277 13.428 890 HE22 GLN 6 HE22 GLN 6 10.473 20.279 11.856 891 H ILE 7 HN ILE 7 10.635 14.527 15.955 892 HA ILE 7 HA ILE 7 12.730 15.874 17.309 893 HB ILE 7 HB ILE 7 11.678 13.048 17.566 894 HG12 ILE 7 HG12 ILE 7 11.255 15.426 19.386 895 HG13 ILE 7 HG11 ILE 7 10.170 15.076 18.038 896 HG21 ILE 7 HG21 ILE 7 13.579 14.650 19.305 897 HG22 ILE 7 HG22 ILE 7 13.928 13.132 18.478 898 HG23 ILE 7 HG23 ILE 7 12.788 13.161 19.822 899 HD11 ILE 7 HD11 ILE 7 9.441 14.096 20.252 900 HD12 ILE 7 HD12 ILE 7 10.864 13.056 20.183 901 HD13 ILE 7 HD13 ILE 7 9.610 12.920 18.949 902 H LEU 8 HN LEU 8 12.676 12.953 15.274 903 HA LEU 8 HA LEU 8 15.484 12.476 15.523 904 HB2 LEU 8 HB2 LEU 8 13.789 10.737 14.888 905 HB3 LEU 8 HB1 LEU 8 13.638 11.532 13.320 906 HG LEU 8 HG LEU 8 16.161 11.274 13.083 907 HD11 LEU 8 HD11 LEU 8 16.797 10.871 15.372 908 HD12 LEU 8 HD12 LEU 8 17.107 9.383 14.481 909 HD13 LEU 8 HD13 LEU 8 15.676 9.516 15.504 910 HD21 LEU 8 HD21 LEU 8 14.361 8.842 13.269 911 HD22 LEU 8 HD22 LEU 8 15.960 8.814 12.528 912 HD23 LEU 8 HD23 LEU 8 14.687 9.822 11.839 913 H SER 9 HN SER 9 13.484 14.359 13.379 914 HA SER 9 HA SER 9 15.365 14.760 11.291 915 HB2 SER 9 HB2 SER 9 13.016 15.209 10.920 916 HB3 SER 9 HB1 SER 9 13.011 16.436 12.185 917 HG SER 9 HG SER 9 14.638 16.500 9.855 918 H ILE 10 HN ILE 10 14.483 16.785 14.092 919 HA ILE 10 HA ILE 10 16.479 18.757 13.501 920 HB ILE 10 HB ILE 10 15.861 19.704 15.695 921 HG12 ILE 10 HG12 ILE 10 13.703 18.260 16.572 922 HG13 ILE 10 HG11 ILE 10 14.775 16.979 16.025 923 HG21 ILE 10 HG21 ILE 10 13.429 18.743 14.157 924 HG22 ILE 10 HG22 ILE 10 14.451 20.088 13.648 925 HG23 ILE 10 HG23 ILE 10 13.541 20.192 15.155 926 HD11 ILE 10 HD11 ILE 10 15.276 19.057 18.145 927 HD12 ILE 10 HD12 ILE 10 16.617 18.213 17.370 928 HD13 ILE 10 HD13 ILE 10 15.405 17.305 18.274 929 H CYS 11 HN CYS 11 16.397 15.784 15.334 930 HA CYS 11 HA CYS 11 18.646 16.299 17.002 931 HB2 CYS 11 HB2 CYS 11 16.986 14.501 17.414 932 HB3 CYS 11 HB1 CYS 11 17.578 13.655 15.985 933 HG CYS 11 HG CYS 11 19.569 12.884 17.257 934 H SER 12 HN SER 12 18.305 14.460 13.956 935 HA SER 12 HA SER 12 21.095 13.982 13.656 936 HB2 SER 12 HB2 SER 12 18.836 13.902 11.648 937 HB3 SER 12 HB1 SER 12 20.481 13.368 11.313 938 HG SER 12 HG SER 12 20.197 11.670 12.570 939 H PHE 13 HN PHE 13 18.908 16.501 12.526 940 HA PHE 13 HA PHE 13 20.589 17.760 10.670 941 HB2 PHE 13 HB2 PHE 13 18.357 18.490 10.700 942 HB3 PHE 13 HB1 PHE 13 18.370 18.748 12.445 943 HD1 PHE 13 HD1 PHE 13 20.171 19.909 9.357 944 HD2 PHE 13 HD2 PHE 13 18.654 20.908 13.249 945 HE1 PHE 13 HE1 PHE 13 20.855 22.270 9.019 946 HE2 PHE 13 HE2 PHE 13 19.336 23.267 12.912 947 HZ PHE 13 HZ PHE 13 20.438 23.948 10.797 948 H ILE 14 HN ILE 14 20.219 18.336 14.174 949 HA ILE 14 HA ILE 14 22.110 20.419 14.357 950 HB ILE 14 HB ILE 14 21.151 18.391 16.384 951 HG12 ILE 14 HG12 ILE 14 20.554 21.348 16.196 952 HG13 ILE 14 HG11 ILE 14 19.586 20.152 15.332 953 HG21 ILE 14 HG21 ILE 14 22.943 20.815 16.678 954 HG22 ILE 14 HG22 ILE 14 23.301 19.153 17.147 955 HG23 ILE 14 HG23 ILE 14 22.091 20.079 18.035 956 HD11 ILE 14 HD11 ILE 14 18.879 19.111 17.348 957 HD12 ILE 14 HD12 ILE 14 18.751 20.841 17.662 958 HD13 ILE 14 HD13 ILE 14 20.119 19.929 18.300 959 H LEU 15 HN LEU 15 22.430 16.898 14.812 960 HA LEU 15 HA LEU 15 25.181 16.942 15.486 961 HB2 LEU 15 HB2 LEU 15 23.158 14.935 14.813 962 HB3 LEU 15 HB1 LEU 15 24.773 14.498 14.256 963 HG LEU 15 HG LEU 15 24.800 15.600 16.969 964 HD11 LEU 15 HD11 LEU 15 23.810 13.465 17.938 965 HD12 LEU 15 HD12 LEU 15 23.121 13.163 16.344 966 HD13 LEU 15 HD13 LEU 15 22.645 14.598 17.254 967 HD21 LEU 15 HD21 LEU 15 26.664 14.389 15.868 968 HD22 LEU 15 HD22 LEU 15 25.656 12.946 15.771 969 HD23 LEU 15 HD23 LEU 15 26.149 13.572 17.344 970 H SER 16 HN SER 16 23.528 17.165 12.448 971 HA SER 16 HA SER 16 25.737 16.392 10.790 972 HB2 SER 16 HB2 SER 16 23.235 17.974 10.180 973 HB3 SER 16 HB1 SER 16 24.381 17.405 8.970 974 HG SER 16 HG SER 16 22.363 16.091 9.901 975 H ALA 17 HN ALA 17 24.398 19.473 11.922 976 HA ALA 17 HA ALA 17 26.216 21.125 10.465 977 HB1 ALA 17 HB1 ALA 17 24.033 21.923 11.348 978 HB2 ALA 17 HB2 ALA 17 25.384 22.934 11.862 979 HB3 ALA 17 HB3 ALA 17 24.671 21.777 12.986 980 H LEU 18 HN LEU 18 26.267 19.615 13.665 981 HA LEU 18 HA LEU 18 28.575 21.045 14.579 982 HB2 LEU 18 HB2 LEU 18 27.190 18.530 15.532 983 HB3 LEU 18 HB1 LEU 18 28.542 19.291 16.372 984 HG LEU 18 HG LEU 18 26.050 20.838 15.647 985 HD11 LEU 18 HD11 LEU 18 25.402 18.910 17.059 986 HD12 LEU 18 HD12 LEU 18 25.258 20.431 17.941 987 HD13 LEU 18 HD13 LEU 18 26.633 19.367 18.238 988 HD21 LEU 18 HD21 LEU 18 27.982 22.193 16.221 989 HD22 LEU 18 HD22 LEU 18 28.302 21.206 17.646 990 HD23 LEU 18 HD23 LEU 18 26.866 22.228 17.585 991 H HIS 19 HN HIS 19 27.978 18.003 12.874 992 HA HIS 19 HA HIS 19 30.554 16.875 13.210 993 HB2 HIS 19 HB2 HIS 19 28.652 15.524 12.497 994 HB3 HIS 19 HB1 HIS 19 28.492 16.483 11.026 995 HD2 HIS 19 HD2 HIS 19 30.825 13.678 12.485 996 HE1 HIS 19 HE1 HIS 19 31.988 14.406 8.494 997 HE2 HIS 19 HE2 HIS 19 32.333 12.894 10.504 998 H PHE 20 HN PHE 20 29.098 18.823 10.596 999 HA PHE 20 HA PHE 20 31.500 18.892 9.047 1000 HB2 PHE 20 HB2 PHE 20 28.803 20.013 8.866 1001 HB3 PHE 20 HB1 PHE 20 30.051 21.099 8.256 1002 HD1 PHE 20 HD1 PHE 20 29.045 17.479 8.106 1003 HD2 PHE 20 HD2 PHE 20 30.835 20.815 6.072 1004 HE1 PHE 20 HE1 PHE 20 29.261 16.110 6.048 1005 HE2 PHE 20 HE2 PHE 20 31.050 19.443 4.014 1006 HZ PHE 20 HZ PHE 20 30.277 17.071 4.000 1007 H MET 21 HN MET 21 30.208 20.814 11.666 1008 HA MET 21 HA MET 21 31.762 23.144 11.337 1009 HB2 MET 21 HB2 MET 21 30.141 21.910 13.432 1010 HB3 MET 21 HB1 MET 21 31.508 22.824 14.070 1011 HG2 MET 21 HG2 MET 21 29.740 23.986 11.922 1012 HG3 MET 21 HG1 MET 21 29.293 24.102 13.625 1013 HE1 MET 21 HE1 MET 21 30.518 27.658 12.930 1014 HE2 MET 21 HE2 MET 21 29.472 26.733 14.005 1015 HE3 MET 21 HE3 MET 21 29.338 26.523 12.260 1016 H ALA 22 HN ALA 22 32.355 20.317 13.464 1017 HA ALA 22 HA ALA 22 34.949 21.128 14.233 1018 HB1 ALA 22 HB1 ALA 22 33.363 19.281 15.204 1019 HB2 ALA 22 HB2 ALA 22 35.112 19.085 15.312 1020 HB3 ALA 22 HB3 ALA 22 34.206 18.235 14.061 1021 H TRP 23 HN TRP 23 33.776 19.089 11.588 1022 HA TRP 23 HA TRP 23 36.231 18.118 10.663 1023 HB2 TRP 23 HB2 TRP 23 33.520 18.234 9.733 1024 HB3 TRP 23 HB1 TRP 23 34.608 18.648 8.408 1025 HD1 TRP 23 HD1 TRP 23 34.088 15.877 11.045 1026 HE1 TRP 23 HE1 TRP 23 35.058 13.682 10.098 1027 HE3 TRP 23 HE3 TRP 23 36.104 17.609 6.685 1028 HZ2 TRP 23 HZ2 TRP 23 36.499 12.784 7.795 1029 HZ3 TRP 23 HZ3 TRP 23 37.266 16.066 5.134 1030 HH2 TRP 23 HH2 TRP 23 37.466 13.656 5.683 1031 H THR 24 HN THR 24 34.472 21.064 9.715 1032 HA THR 24 HA THR 24 36.281 22.012 7.817 1033 HB THR 24 HB THR 24 34.558 23.608 9.731 1034 HG1 THR 24 HG1 THR 24 33.185 23.608 7.832 1035 HG21 THR 24 HG21 THR 24 36.172 25.073 8.726 1036 HG22 THR 24 HG22 THR 24 34.663 25.289 7.839 1037 HG23 THR 24 HG23 THR 24 35.963 24.317 7.148 1038 H ILE 25 HN ILE 25 36.193 22.516 11.342 1039 HA ILE 25 HA ILE 25 38.401 24.296 11.449 1040 HB ILE 25 HB ILE 25 37.297 22.396 13.532 1041 HG12 ILE 25 HG12 ILE 25 36.883 25.382 13.230 1042 HG13 ILE 25 HG11 ILE 25 35.778 24.196 12.536 1043 HG21 ILE 25 HG21 ILE 25 39.315 24.648 13.657 1044 HG22 ILE 25 HG22 ILE 25 39.482 22.999 14.260 1045 HG23 ILE 25 HG23 ILE 25 38.409 24.131 15.081 1046 HD11 ILE 25 HD11 ILE 25 35.353 23.245 14.749 1047 HD12 ILE 25 HD12 ILE 25 35.026 24.977 14.774 1048 HD13 ILE 25 HD13 ILE 25 36.519 24.352 15.472 1049 H GLY 26 HN GLY 26 38.110 20.802 11.641 1050 HA2 GLY 26 HA2 GLY 26 40.722 20.127 12.401 1051 HA3 GLY 26 HA1 GLY 26 39.677 19.102 11.421 1052 H HIS 27 HN HIS 27 39.369 20.474 9.120 1053 HA HIS 27 HA HIS 27 41.807 20.024 7.751 1054 HB2 HIS 27 HB2 HIS 27 39.185 21.284 7.021 1055 HB3 HIS 27 HB1 HIS 27 40.554 21.389 5.913 1056 HD2 HIS 27 HD2 HIS 27 39.648 19.430 4.095 1057 HE1 HIS 27 HE1 HIS 27 39.442 16.259 6.875 1058 HE2 HIS 27 HE2 HIS 27 39.292 16.862 4.413 1059 H LEU 28 HN LEU 28 40.317 22.883 9.147 1060 HA LEU 28 HA LEU 28 41.896 24.846 7.917 1061 HB2 LEU 28 HB2 LEU 28 39.948 24.762 9.945 1062 HB3 LEU 28 HB1 LEU 28 41.370 25.490 10.688 1063 HG LEU 28 HG LEU 28 40.001 27.242 9.690 1064 HD11 LEU 28 HD11 LEU 28 42.600 27.205 9.471 1065 HD12 LEU 28 HD12 LEU 28 41.689 28.373 8.516 1066 HD13 LEU 28 HD13 LEU 28 42.294 26.899 7.760 1067 HD21 LEU 28 HD21 LEU 28 39.270 27.240 7.441 1068 HD22 LEU 28 HD22 LEU 28 39.010 25.577 7.962 1069 HD23 LEU 28 HD23 LEU 28 40.414 25.981 6.973 1070 H ASN 29 HN ASN 29 42.551 22.692 10.628 1071 HA ASN 29 HA ASN 29 44.471 22.341 11.867 1072 HB2 ASN 29 HB2 ASN 29 45.765 23.353 9.321 1073 HB3 ASN 29 HB1 ASN 29 46.572 22.442 10.595 1074 HD21 ASN 29 HD21 ASN 29 45.557 21.895 7.599 1075 HD22 ASN 29 HD22 ASN 29 44.924 20.326 7.740 1076 H GLN 30 HN GLN 30 43.345 24.594 12.733 1077 HA GLN 30 HA GLN 30 44.635 27.031 12.506 1078 HB2 GLN 30 HB2 GLN 30 43.640 27.628 14.583 1079 HB3 GLN 30 HB1 GLN 30 42.539 26.455 13.859 1080 HG2 GLN 30 HG2 GLN 30 43.734 24.657 15.185 1081 HG3 GLN 30 HG1 GLN 30 44.584 25.948 16.034 1082 HE21 GLN 30 HE21 GLN 30 43.610 26.328 18.016 1083 HE22 GLN 30 HE22 GLN 30 41.935 26.307 18.299 1084 H ILE 31 HN ILE 31 45.669 24.139 14.149 1085 HA ILE 31 HA ILE 31 47.651 25.304 15.819 1086 HB ILE 31 HB ILE 31 48.603 22.964 15.837 1087 HG12 ILE 31 HG12 ILE 31 46.150 22.257 14.217 1088 HG13 ILE 31 HG11 ILE 31 47.717 22.527 13.454 1089 HG21 ILE 31 HG21 ILE 31 46.491 21.981 16.876 1090 HG22 ILE 31 HG22 ILE 31 45.668 23.461 16.385 1091 HG23 ILE 31 HG23 ILE 31 47.008 23.536 17.528 1092 HD11 ILE 31 HD11 ILE 31 47.305 20.120 13.973 1093 HD12 ILE 31 HD12 ILE 31 47.214 20.536 15.684 1094 HD13 ILE 31 HD13 ILE 31 48.723 20.761 14.802 1095 H LYS 32 HN LYS 32 50.036 24.630 15.510 1096 HA LYS 32 HA LYS 32 51.179 26.069 13.456 1097 HB2 LYS 32 HB2 LYS 32 53.258 24.935 13.973 1098 HB3 LYS 32 HB1 LYS 32 52.373 25.211 15.474 1099 HG2 LYS 32 HG2 LYS 32 51.456 22.882 15.293 1100 HG3 LYS 32 HG1 LYS 32 52.507 22.625 13.901 1101 HD2 LYS 32 HD2 LYS 32 54.485 23.086 15.283 1102 HD3 LYS 32 HD1 LYS 32 53.451 23.395 16.678 1103 HE2 LYS 32 HE2 LYS 32 54.299 21.115 16.813 1104 HE3 LYS 32 HE1 LYS 32 52.567 21.065 16.482 1105 HZ1 LYS 32 HZ1 LYS 32 53.812 19.542 15.063 1106 HZ2 LYS 32 HZ2 LYS 32 54.712 20.841 14.441 1107 HZ3 LYS 32 HZ3 LYS 32 53.041 20.746 14.149 1108 H ARG 33 HN ARG 33 51.793 25.686 11.380 1109 HA ARG 33 HA ARG 33 50.564 23.445 10.028 1110 HB2 ARG 33 HB2 ARG 33 52.140 25.853 9.147 1111 HB3 ARG 33 HB1 ARG 33 51.746 24.556 8.018 1112 HG2 ARG 33 HG2 ARG 33 49.493 25.023 8.049 1113 HG3 ARG 33 HG1 ARG 33 49.530 25.608 9.714 1114 HD2 ARG 33 HD2 ARG 33 50.752 27.635 8.935 1115 HD3 ARG 33 HD1 ARG 33 50.594 27.064 7.278 1116 HE ARG 33 HE ARG 33 48.022 27.090 8.193 1117 HH11 ARG 33 HH11 ARG 33 50.614 29.425 8.121 1118 HH12 ARG 33 HH12 ARG 33 49.545 30.782 8.001 1119 HH21 ARG 33 HH21 ARG 33 46.654 28.884 8.043 1120 HH22 ARG 33 HH22 ARG 33 47.322 30.480 7.958 Start of MODEL 3 1 H1 MET 1 HT1 MET 1 -1.698 17.608 0.934 2 H2 MET 1 HT2 MET 1 -0.084 18.007 0.579 3 H3 MET 1 HT3 MET 1 -0.679 18.191 2.159 4 HA MET 1 HA MET 1 -0.599 15.979 2.629 5 HB2 MET 1 HB2 MET 1 -1.974 15.634 0.392 6 HB3 MET 1 HB1 MET 1 -0.405 15.146 -0.247 7 HG2 MET 1 HG2 MET 1 -1.373 13.136 0.568 8 HG3 MET 1 HG1 MET 1 -0.228 13.620 1.819 9 HE1 MET 1 HE1 MET 1 -2.184 11.575 2.371 10 HE2 MET 1 HE2 MET 1 -3.151 12.011 3.776 11 HE3 MET 1 HE3 MET 1 -1.405 12.244 3.812 12 H PHE 2 HN PHE 2 1.469 17.085 3.209 13 HA PHE 2 HA PHE 2 3.701 16.229 1.473 14 HB2 PHE 2 HB2 PHE 2 3.527 18.427 3.544 15 HB3 PHE 2 HB1 PHE 2 5.031 17.925 2.767 16 HD1 PHE 2 HD1 PHE 2 1.886 19.733 2.364 17 HD2 PHE 2 HD2 PHE 2 5.307 18.153 0.303 18 HE1 PHE 2 HE1 PHE 2 1.351 21.141 0.394 19 HE2 PHE 2 HE2 PHE 2 4.772 19.562 -1.666 20 HZ PHE 2 HZ PHE 2 2.794 21.056 -1.621 21 H GLU 3 HN GLU 3 5.205 14.824 2.239 22 HA GLU 3 HA GLU 3 4.730 13.777 4.929 23 HB2 GLU 3 HB2 GLU 3 6.225 12.594 2.603 24 HB3 GLU 3 HB1 GLU 3 6.073 11.830 4.186 25 HG2 GLU 3 HG2 GLU 3 3.631 11.851 3.983 26 HG3 GLU 3 HG1 GLU 3 3.752 12.646 2.415 27 HA PRO 4 HA PRO 4 8.448 16.119 6.072 28 HB2 PRO 4 HB2 PRO 4 8.638 15.127 8.647 29 HB3 PRO 4 HB1 PRO 4 7.604 16.485 8.165 30 HG2 PRO 4 HG2 PRO 4 6.892 13.626 8.595 31 HG3 PRO 4 HG1 PRO 4 5.999 15.094 9.034 32 HD2 PRO 4 HD2 PRO 4 5.321 13.614 6.881 33 HD3 PRO 4 HD1 PRO 4 5.145 15.384 6.886 34 H PHE 5 HN PHE 5 8.019 12.665 6.357 35 HA PHE 5 HA PHE 5 10.664 11.934 7.003 36 HB2 PHE 5 HB2 PHE 5 9.052 10.244 7.236 37 HB3 PHE 5 HB1 PHE 5 8.407 10.512 5.616 38 HD1 PHE 5 HD1 PHE 5 11.365 9.241 7.501 39 HD2 PHE 5 HD2 PHE 5 9.354 9.455 3.711 40 HE1 PHE 5 HE1 PHE 5 12.916 7.535 6.579 41 HE2 PHE 5 HE2 PHE 5 10.900 7.751 2.791 42 HZ PHE 5 HZ PHE 5 12.680 6.779 4.217 43 H GLN 6 HN GLN 6 9.079 12.563 3.898 44 HA GLN 6 HA GLN 6 11.130 11.601 2.212 45 HB2 GLN 6 HB2 GLN 6 9.004 13.709 1.828 46 HB3 GLN 6 HB1 GLN 6 10.080 13.178 0.533 47 HG2 GLN 6 HG2 GLN 6 9.283 10.909 0.708 48 HG3 GLN 6 HG1 GLN 6 8.357 11.294 2.159 49 HE21 GLN 6 HE21 GLN 6 7.520 10.392 -0.696 50 HE22 GLN 6 HE22 GLN 6 6.321 11.516 -1.123 51 H ILE 7 HN ILE 7 10.541 14.763 3.611 52 HA ILE 7 HA ILE 7 12.575 16.138 2.198 53 HB ILE 7 HB ILE 7 12.002 18.004 3.400 54 HG12 ILE 7 HG12 ILE 7 11.878 16.200 5.821 55 HG13 ILE 7 HG11 ILE 7 13.042 17.469 5.485 56 HG21 ILE 7 HG21 ILE 7 9.870 16.708 2.740 57 HG22 ILE 7 HG22 ILE 7 9.697 18.016 3.911 58 HG23 ILE 7 HG23 ILE 7 9.721 16.340 4.455 59 HD11 ILE 7 HD11 ILE 7 11.000 19.061 5.510 60 HD12 ILE 7 HD12 ILE 7 11.569 18.439 7.058 61 HD13 ILE 7 HD13 ILE 7 10.147 17.732 6.295 62 H LEU 8 HN LEU 8 12.546 14.354 5.248 63 HA LEU 8 HA LEU 8 15.206 15.092 5.979 64 HB2 LEU 8 HB2 LEU 8 13.547 14.372 7.640 65 HB3 LEU 8 HB1 LEU 8 13.484 12.776 6.893 66 HG LEU 8 HG LEU 8 15.902 12.473 7.374 67 HD11 LEU 8 HD11 LEU 8 16.873 14.149 9.067 68 HD12 LEU 8 HD12 LEU 8 15.560 15.223 8.586 69 HD13 LEU 8 HD13 LEU 8 16.750 14.697 7.395 70 HD21 LEU 8 HD21 LEU 8 15.670 12.285 9.847 71 HD22 LEU 8 HD22 LEU 8 14.259 11.655 8.997 72 HD23 LEU 8 HD23 LEU 8 14.194 13.245 9.757 73 H SER 9 HN SER 9 13.775 12.519 4.123 74 HA SER 9 HA SER 9 16.096 10.839 4.050 75 HB2 SER 9 HB2 SER 9 13.814 9.993 3.598 76 HB3 SER 9 HB1 SER 9 13.759 10.967 2.133 77 HG SER 9 HG SER 9 14.577 8.592 2.196 78 H ILE 10 HN ILE 10 14.693 13.248 1.836 79 HA ILE 10 HA ILE 10 16.578 12.970 -0.233 80 HB ILE 10 HB ILE 10 14.965 15.385 0.638 81 HG12 ILE 10 HG12 ILE 10 13.828 13.196 -0.159 82 HG13 ILE 10 HG11 ILE 10 13.359 14.692 -0.961 83 HG21 ILE 10 HG21 ILE 10 16.727 14.885 -1.771 84 HG22 ILE 10 HG22 ILE 10 16.730 16.268 -0.678 85 HG23 ILE 10 HG23 ILE 10 15.405 16.051 -1.819 86 HD11 ILE 10 HD11 ILE 10 14.608 14.179 -2.896 87 HD12 ILE 10 HD12 ILE 10 13.895 12.633 -2.439 88 HD13 ILE 10 HD13 ILE 10 15.582 12.971 -2.060 89 H CYS 11 HN CYS 11 16.509 15.221 2.548 90 HA CYS 11 HA CYS 11 18.936 16.520 1.918 91 HB2 CYS 11 HB2 CYS 11 17.342 17.437 3.524 92 HB3 CYS 11 HB1 CYS 11 17.631 16.075 4.609 93 HG CYS 11 HG CYS 11 19.172 18.298 5.100 94 H SER 12 HN SER 12 18.294 13.845 4.217 95 HA SER 12 HA SER 12 20.893 13.454 5.090 96 HB2 SER 12 HB2 SER 12 18.885 12.334 6.030 97 HB3 SER 12 HB1 SER 12 18.806 11.316 4.594 98 HG SER 12 HG SER 12 20.817 11.444 6.583 99 H PHE 13 HN PHE 13 19.258 12.002 2.278 100 HA PHE 13 HA PHE 13 21.350 10.347 1.431 101 HB2 PHE 13 HB2 PHE 13 18.917 11.511 0.230 102 HB3 PHE 13 HB1 PHE 13 20.177 11.055 -0.918 103 HD1 PHE 13 HD1 PHE 13 17.411 9.860 0.933 104 HD2 PHE 13 HD2 PHE 13 21.312 8.709 -0.444 105 HE1 PHE 13 HE1 PHE 13 16.793 7.470 1.176 106 HE2 PHE 13 HE2 PHE 13 20.694 6.321 -0.203 107 HZ PHE 13 HZ PHE 13 18.435 5.701 0.606 108 H ILE 14 HN ILE 14 20.614 13.723 0.616 109 HA ILE 14 HA ILE 14 22.668 14.123 -1.261 110 HB ILE 14 HB ILE 14 21.292 16.039 0.635 111 HG12 ILE 14 HG12 ILE 14 21.045 15.784 -2.368 112 HG13 ILE 14 HG11 ILE 14 20.035 14.849 -1.267 113 HG21 ILE 14 HG21 ILE 14 22.214 17.812 -0.892 114 HG22 ILE 14 HG22 ILE 14 23.246 16.582 -1.619 115 HG23 ILE 14 HG23 ILE 14 23.446 17.008 0.080 116 HD11 ILE 14 HD11 ILE 14 20.244 17.873 -1.355 117 HD12 ILE 14 HD12 ILE 14 19.274 16.959 -0.200 118 HD13 ILE 14 HD13 ILE 14 18.877 16.912 -1.918 119 H LEU 15 HN LEU 15 22.627 14.501 2.274 120 HA LEU 15 HA LEU 15 25.226 15.558 2.531 121 HB2 LEU 15 HB2 LEU 15 23.260 14.247 4.327 122 HB3 LEU 15 HB1 LEU 15 24.942 14.259 4.863 123 HG LEU 15 HG LEU 15 24.136 16.837 3.757 124 HD11 LEU 15 HD11 LEU 15 22.637 17.453 5.621 125 HD12 LEU 15 HD12 LEU 15 22.669 15.784 6.195 126 HD13 LEU 15 HD13 LEU 15 21.935 16.169 4.638 127 HD21 LEU 15 HD21 LEU 15 25.134 17.614 5.866 128 HD22 LEU 15 HD22 LEU 15 26.162 16.386 5.126 129 HD23 LEU 15 HD23 LEU 15 25.127 15.967 6.492 130 H SER 16 HN SER 16 24.135 12.200 3.096 131 HA SER 16 HA SER 16 26.552 10.987 3.528 132 HB2 SER 16 HB2 SER 16 24.230 9.898 1.919 133 HB3 SER 16 HB1 SER 16 25.545 8.926 2.572 134 HG SER 16 HG SER 16 24.137 8.843 4.185 135 H ALA 17 HN ALA 17 25.116 11.822 0.399 136 HA ALA 17 HA ALA 17 27.077 10.609 -1.233 137 HB1 ALA 17 HB1 ALA 17 25.415 13.078 -1.800 138 HB2 ALA 17 HB2 ALA 17 24.877 11.418 -2.051 139 HB3 ALA 17 HB3 ALA 17 26.216 12.062 -3.000 140 H LEU 18 HN LEU 18 26.802 13.907 0.096 141 HA LEU 18 HA LEU 18 29.201 14.853 -1.112 142 HB2 LEU 18 HB2 LEU 18 27.600 15.883 1.234 143 HB3 LEU 18 HB1 LEU 18 28.950 16.744 0.497 144 HG LEU 18 HG LEU 18 26.510 15.826 -1.048 145 HD11 LEU 18 HD11 LEU 18 25.834 17.481 0.622 146 HD12 LEU 18 HD12 LEU 18 25.834 18.222 -0.979 147 HD13 LEU 18 HD13 LEU 18 27.160 18.542 0.139 148 HD21 LEU 18 HD21 LEU 18 28.358 16.150 -2.525 149 HD22 LEU 18 HD22 LEU 18 28.893 17.591 -1.661 150 HD23 LEU 18 HD23 LEU 18 27.419 17.638 -2.628 151 H HIS 19 HN HIS 19 28.527 13.001 1.733 152 HA HIS 19 HA HIS 19 30.852 13.645 3.246 153 HB2 HIS 19 HB2 HIS 19 28.866 11.393 3.266 154 HB3 HIS 19 HB1 HIS 19 30.307 11.319 4.273 155 HD2 HIS 19 HD2 HIS 19 26.795 12.668 4.557 156 HE1 HIS 19 HE1 HIS 19 29.094 15.010 7.213 157 HE2 HIS 19 HE2 HIS 19 26.732 14.389 6.521 158 H PHE 20 HN PHE 20 30.043 10.858 1.149 159 HA PHE 20 HA PHE 20 32.685 9.777 1.318 160 HB2 PHE 20 HB2 PHE 20 30.194 9.120 -0.095 161 HB3 PHE 20 HB1 PHE 20 31.659 8.712 -0.988 162 HD1 PHE 20 HD1 PHE 20 29.498 7.801 1.772 163 HD2 PHE 20 HD2 PHE 20 33.471 7.346 0.191 164 HE1 PHE 20 HE1 PHE 20 29.862 5.835 3.243 165 HE2 PHE 20 HE2 PHE 20 33.829 5.382 1.663 166 HZ PHE 20 HZ PHE 20 32.034 4.621 3.198 167 H MET 21 HN MET 21 31.140 12.173 -0.685 168 HA MET 21 HA MET 21 32.932 12.172 -2.875 169 HB2 MET 21 HB2 MET 21 30.991 14.065 -1.682 170 HB3 MET 21 HB1 MET 21 32.215 14.758 -2.739 171 HG2 MET 21 HG2 MET 21 31.594 13.099 -4.490 172 HG3 MET 21 HG1 MET 21 30.318 12.494 -3.434 173 HE1 MET 21 HE1 MET 21 28.695 13.087 -5.708 174 HE2 MET 21 HE2 MET 21 27.549 14.209 -4.980 175 HE3 MET 21 HE3 MET 21 28.216 12.893 -4.017 176 H ALA 22 HN ALA 22 32.922 14.115 0.129 177 HA ALA 22 HA ALA 22 35.344 15.459 -0.428 178 HB1 ALA 22 HB1 ALA 22 33.799 14.899 2.090 179 HB2 ALA 22 HB2 ALA 22 34.088 16.439 1.280 180 HB3 ALA 22 HB3 ALA 22 35.392 15.651 2.168 181 H TRP 23 HN TRP 23 34.591 12.394 1.148 182 HA TRP 23 HA TRP 23 37.149 11.823 2.180 183 HB2 TRP 23 HB2 TRP 23 34.946 9.998 1.202 184 HB3 TRP 23 HB1 TRP 23 36.394 9.427 2.029 185 HD1 TRP 23 HD1 TRP 23 35.638 12.664 3.472 186 HE1 TRP 23 HE1 TRP 23 34.337 12.436 5.685 187 HE3 TRP 23 HE3 TRP 23 34.222 7.770 3.159 188 HZ2 TRP 23 HZ2 TRP 23 32.891 10.439 7.132 189 HZ3 TRP 23 HZ3 TRP 23 32.885 6.725 4.961 190 HH2 TRP 23 HH2 TRP 23 32.218 8.058 6.953 191 H THR 24 HN THR 24 35.710 10.984 -0.975 192 HA THR 24 HA THR 24 37.862 9.505 -1.976 193 HB THR 24 HB THR 24 36.944 10.015 -4.206 194 HG1 THR 24 HG1 THR 24 35.335 11.545 -4.399 195 HG21 THR 24 HG21 THR 24 34.340 9.741 -3.243 196 HG22 THR 24 HG22 THR 24 35.322 9.037 -1.959 197 HG23 THR 24 HG23 THR 24 35.447 8.425 -3.609 198 H ILE 25 HN ILE 25 37.223 13.005 -2.053 199 HA ILE 25 HA ILE 25 39.505 13.661 -3.630 200 HB ILE 25 HB ILE 25 37.887 15.302 -1.672 201 HG12 ILE 25 HG12 ILE 25 37.969 15.299 -4.705 202 HG13 ILE 25 HG11 ILE 25 36.771 14.421 -3.752 203 HG21 ILE 25 HG21 ILE 25 38.971 17.254 -2.795 204 HG22 ILE 25 HG22 ILE 25 40.044 16.138 -3.636 205 HG23 ILE 25 HG23 ILE 25 40.121 16.277 -1.880 206 HD11 ILE 25 HD11 ILE 25 36.206 16.628 -2.631 207 HD12 ILE 25 HD12 ILE 25 35.773 16.523 -4.337 208 HD13 ILE 25 HD13 ILE 25 37.214 17.412 -3.846 209 H GLY 26 HN GLY 26 38.932 13.415 -0.176 210 HA2 GLY 26 HA2 GLY 26 41.353 14.463 0.780 211 HA3 GLY 26 HA1 GLY 26 40.387 13.258 1.627 212 H HIS 27 HN HIS 27 40.512 11.103 -0.037 213 HA HIS 27 HA HIS 27 43.091 10.041 0.530 214 HB2 HIS 27 HB2 HIS 27 40.930 8.729 0.383 215 HB3 HIS 27 HB1 HIS 27 41.049 8.878 -1.370 216 HD2 HIS 27 HD2 HIS 27 42.346 6.672 -2.395 217 HE1 HIS 27 HE1 HIS 27 44.883 5.874 0.884 218 HE2 HIS 27 HE2 HIS 27 44.205 5.105 -1.439 219 H LEU 28 HN LEU 28 41.574 11.377 -2.348 220 HA LEU 28 HA LEU 28 43.660 10.606 -4.155 221 HB2 LEU 28 HB2 LEU 28 41.400 12.598 -4.334 222 HB3 LEU 28 HB1 LEU 28 42.552 12.342 -5.645 223 HG LEU 28 HG LEU 28 41.038 10.052 -4.381 224 HD11 LEU 28 HD11 LEU 28 39.376 10.240 -6.116 225 HD12 LEU 28 HD12 LEU 28 40.259 11.552 -6.896 226 HD13 LEU 28 HD13 LEU 28 39.487 11.816 -5.333 227 HD21 LEU 28 HD21 LEU 28 41.534 9.077 -6.675 228 HD22 LEU 28 HD22 LEU 28 42.956 9.373 -5.677 229 HD23 LEU 28 HD23 LEU 28 42.544 10.491 -6.976 230 H ASN 29 HN ASN 29 43.457 12.961 -1.728 231 HA ASN 29 HA ASN 29 44.943 14.574 -1.053 232 HB2 ASN 29 HB2 ASN 29 46.539 12.857 -2.387 233 HB3 ASN 29 HB1 ASN 29 46.723 14.284 -3.405 234 HD21 ASN 29 HD21 ASN 29 48.819 14.935 -2.743 235 HD22 ASN 29 HD22 ASN 29 49.199 15.376 -1.149 236 H GLN 30 HN GLN 30 46.180 16.594 -2.110 237 HA GLN 30 HA GLN 30 44.111 18.107 -3.417 238 HB2 GLN 30 HB2 GLN 30 46.975 18.875 -2.801 239 HB3 GLN 30 HB1 GLN 30 45.670 19.980 -3.239 240 HG2 GLN 30 HG2 GLN 30 45.020 20.085 -1.092 241 HG3 GLN 30 HG1 GLN 30 44.765 18.341 -1.075 242 HE21 GLN 30 HE21 GLN 30 47.437 20.749 -0.789 243 HE22 GLN 30 HE22 GLN 30 48.345 19.822 0.304 244 H ILE 31 HN ILE 31 44.688 19.511 -5.336 245 HA ILE 31 HA ILE 31 46.020 17.825 -7.362 246 HB ILE 31 HB ILE 31 44.055 20.068 -7.844 247 HG12 ILE 31 HG12 ILE 31 42.925 18.365 -6.522 248 HG13 ILE 31 HG11 ILE 31 42.390 18.230 -8.196 249 HG21 ILE 31 HG21 ILE 31 43.815 18.918 -10.036 250 HG22 ILE 31 HG22 ILE 31 45.076 17.782 -9.554 251 HG23 ILE 31 HG23 ILE 31 45.459 19.491 -9.759 252 HD11 ILE 31 HD11 ILE 31 42.838 16.000 -7.389 253 HD12 ILE 31 HD12 ILE 31 44.420 16.479 -6.779 254 HD13 ILE 31 HD13 ILE 31 44.126 16.419 -8.516 255 H LYS 32 HN LYS 32 47.814 18.541 -8.318 256 HA LYS 32 HA LYS 32 49.197 20.814 -7.427 257 HB2 LYS 32 HB2 LYS 32 49.510 19.188 -9.960 258 HB3 LYS 32 HB1 LYS 32 50.659 20.412 -9.420 259 HG2 LYS 32 HG2 LYS 32 51.080 19.183 -7.364 260 HG3 LYS 32 HG1 LYS 32 49.827 18.010 -7.768 261 HD2 LYS 32 HD2 LYS 32 51.875 16.967 -8.390 262 HD3 LYS 32 HD1 LYS 32 51.173 17.540 -9.901 263 HE2 LYS 32 HE2 LYS 32 53.531 18.139 -9.859 264 HE3 LYS 32 HE1 LYS 32 52.569 19.610 -9.709 265 HZ1 LYS 32 HZ1 LYS 32 53.368 18.211 -7.263 266 HZ2 LYS 32 HZ2 LYS 32 53.129 19.871 -7.531 267 HZ3 LYS 32 HZ3 LYS 32 54.545 19.112 -8.087 268 H ARG 33 HN ARG 33 49.319 22.881 -8.126 269 HA ARG 33 HA ARG 33 48.680 24.831 -9.155 270 HB2 ARG 33 HB2 ARG 33 49.664 23.276 -11.097 271 HB3 ARG 33 HB1 ARG 33 48.003 23.404 -11.676 272 HG2 ARG 33 HG2 ARG 33 48.141 25.867 -11.530 273 HG3 ARG 33 HG1 ARG 33 49.811 25.735 -10.976 274 HD2 ARG 33 HD2 ARG 33 49.897 26.166 -13.335 275 HD3 ARG 33 HD1 ARG 33 50.312 24.469 -13.110 276 HE ARG 33 HE ARG 33 48.374 23.900 -14.242 277 HH11 ARG 33 HH11 ARG 33 48.211 27.222 -13.194 278 HH12 ARG 33 HH12 ARG 33 46.752 27.548 -14.065 279 HH21 ARG 33 HH21 ARG 33 46.473 24.358 -15.373 280 HH22 ARG 33 HH22 ARG 33 45.775 25.941 -15.289 281 H1 MET 1 HT1 MET 1 1.068 -3.761 -0.659 282 H2 MET 1 HT2 MET 1 2.751 -3.828 -0.894 283 H3 MET 1 HT3 MET 1 1.915 -2.367 -1.129 284 HA MET 1 HA MET 1 1.692 -1.941 1.083 285 HB2 MET 1 HB2 MET 1 0.693 -4.386 1.273 286 HB3 MET 1 HB1 MET 1 2.290 -4.762 1.915 287 HG2 MET 1 HG2 MET 1 1.004 -4.168 3.821 288 HG3 MET 1 HG1 MET 1 1.958 -2.729 3.461 289 HE1 MET 1 HE1 MET 1 -0.257 -2.564 5.300 290 HE2 MET 1 HE2 MET 1 -1.402 -1.332 4.774 291 HE3 MET 1 HE3 MET 1 0.326 -0.998 4.721 292 H PHE 2 HN PHE 2 3.734 -0.996 0.197 293 HA PHE 2 HA PHE 2 6.131 -2.348 1.268 294 HB2 PHE 2 HB2 PHE 2 5.829 -0.285 -0.924 295 HB3 PHE 2 HB1 PHE 2 7.384 -0.809 -0.275 296 HD1 PHE 2 HD1 PHE 2 4.550 -1.695 -2.397 297 HD2 PHE 2 HD2 PHE 2 8.099 -3.186 -0.488 298 HE1 PHE 2 HE1 PHE 2 4.501 -3.696 -3.864 299 HE2 PHE 2 HE2 PHE 2 8.049 -5.184 -1.957 300 HZ PHE 2 HZ PHE 2 6.251 -5.438 -3.645 301 H GLU 3 HN GLU 3 7.336 -1.369 2.821 302 HA GLU 3 HA GLU 3 6.305 1.177 3.830 303 HB2 GLU 3 HB2 GLU 3 8.050 -0.888 5.148 304 HB3 GLU 3 HB1 GLU 3 7.553 0.630 5.900 305 HG2 GLU 3 HG2 GLU 3 5.195 0.015 5.628 306 HG3 GLU 3 HG1 GLU 3 5.664 -1.492 4.842 307 HA PRO 4 HA PRO 4 9.986 2.987 1.888 308 HB2 PRO 4 HB2 PRO 4 9.635 5.532 2.910 309 HB3 PRO 4 HB1 PRO 4 8.840 4.916 1.451 310 HG2 PRO 4 HG2 PRO 4 7.782 5.151 4.223 311 HG3 PRO 4 HG1 PRO 4 6.979 5.468 2.674 312 HD2 PRO 4 HD2 PRO 4 6.535 3.195 4.066 313 HD3 PRO 4 HD1 PRO 4 6.537 3.212 2.286 314 H PHE 5 HN PHE 5 9.174 3.114 5.280 315 HA PHE 5 HA PHE 5 11.583 4.182 6.283 316 HB2 PHE 5 HB2 PHE 5 9.790 4.105 7.797 317 HB3 PHE 5 HB1 PHE 5 9.461 2.404 7.460 318 HD1 PHE 5 HD1 PHE 5 11.910 4.738 9.027 319 HD2 PHE 5 HD2 PHE 5 10.610 0.665 8.601 320 HE1 PHE 5 HE1 PHE 5 13.431 4.058 10.866 321 HE2 PHE 5 HE2 PHE 5 12.128 -0.013 10.440 322 HZ PHE 5 HZ PHE 5 13.543 1.683 11.569 323 H GLN 6 HN GLN 6 10.620 0.869 5.482 324 HA GLN 6 HA GLN 6 12.821 -0.467 6.636 325 HB2 GLN 6 HB2 GLN 6 11.014 -1.158 4.321 326 HB3 GLN 6 HB1 GLN 6 12.236 -2.264 4.951 327 HG2 GLN 6 HG2 GLN 6 11.198 -2.276 7.129 328 HG3 GLN 6 HG1 GLN 6 10.082 -0.995 6.658 329 HE21 GLN 6 HE21 GLN 6 9.658 -3.967 7.455 330 HE22 GLN 6 HE22 GLN 6 8.666 -4.566 6.214 331 H ILE 7 HN ILE 7 12.327 0.893 3.441 332 HA ILE 7 HA ILE 7 14.697 -0.129 2.274 333 HB ILE 7 HB ILE 7 14.116 1.001 0.367 334 HG12 ILE 7 HG12 ILE 7 13.405 3.325 2.163 335 HG13 ILE 7 HG11 ILE 7 14.730 3.218 1.015 336 HG21 ILE 7 HG21 ILE 7 12.009 -0.036 1.433 337 HG22 ILE 7 HG22 ILE 7 11.774 1.120 0.122 338 HG23 ILE 7 HG23 ILE 7 11.536 1.621 1.794 339 HD11 ILE 7 HD11 ILE 7 12.881 2.936 -0.774 340 HD12 ILE 7 HD12 ILE 7 13.111 4.543 -0.087 341 HD13 ILE 7 HD13 ILE 7 11.778 3.531 0.466 342 H LEU 8 HN LEU 8 13.973 2.835 4.071 343 HA LEU 8 HA LEU 8 16.526 4.016 3.603 344 HB2 LEU 8 HB2 LEU 8 14.542 5.350 4.155 345 HB3 LEU 8 HB1 LEU 8 14.444 4.567 5.732 346 HG LEU 8 HG LEU 8 16.698 5.450 6.290 347 HD11 LEU 8 HD11 LEU 8 17.531 7.320 4.736 348 HD12 LEU 8 HD12 LEU 8 16.436 6.651 3.526 349 HD13 LEU 8 HD13 LEU 8 17.752 5.665 4.166 350 HD21 LEU 8 HD21 LEU 8 16.015 7.847 6.458 351 HD22 LEU 8 HD22 LEU 8 14.725 6.745 6.946 352 HD23 LEU 8 HD23 LEU 8 14.676 7.517 5.360 353 H SER 9 HN SER 9 15.179 1.890 6.013 354 HA SER 9 HA SER 9 17.302 2.167 7.914 355 HB2 SER 9 HB2 SER 9 15.056 1.318 8.520 356 HB3 SER 9 HB1 SER 9 15.349 -0.113 7.535 357 HG SER 9 HG SER 9 15.903 0.036 9.983 358 H ILE 10 HN ILE 10 16.544 -0.198 5.362 359 HA ILE 10 HA ILE 10 18.718 -1.922 5.821 360 HB ILE 10 HB ILE 10 17.230 -1.286 3.258 361 HG12 ILE 10 HG12 ILE 10 16.034 -2.311 5.316 362 HG13 ILE 10 HG11 ILE 10 15.861 -3.148 3.777 363 HG21 ILE 10 HG21 ILE 10 19.319 -3.368 3.925 364 HG22 ILE 10 HG22 ILE 10 19.272 -2.262 2.554 365 HG23 ILE 10 HG23 ILE 10 18.148 -3.617 2.630 366 HD11 ILE 10 HD11 ILE 10 17.365 -4.854 4.404 367 HD12 ILE 10 HD12 ILE 10 16.433 -4.560 5.872 368 HD13 ILE 10 HD13 ILE 10 18.055 -3.891 5.711 369 H CYS 11 HN CYS 11 18.404 0.862 3.587 370 HA CYS 11 HA CYS 11 21.020 0.675 2.544 371 HB2 CYS 11 HB2 CYS 11 19.277 2.010 1.477 372 HB3 CYS 11 HB1 CYS 11 19.237 3.096 2.866 373 HG CYS 11 HG CYS 11 20.891 3.888 0.813 374 H SER 12 HN SER 12 19.730 2.779 5.142 375 HA SER 12 HA SER 12 22.088 4.063 5.810 376 HB2 SER 12 HB2 SER 12 19.846 4.624 6.722 377 HB3 SER 12 HB1 SER 12 19.913 3.173 7.720 378 HG SER 12 HG SER 12 21.559 5.475 7.809 379 H PHE 13 HN PHE 13 20.817 0.984 7.079 380 HA PHE 13 HA PHE 13 22.850 0.463 8.928 381 HB2 PHE 13 HB2 PHE 13 20.785 -1.106 7.516 382 HB3 PHE 13 HB1 PHE 13 22.169 -2.032 8.092 383 HD1 PHE 13 HD1 PHE 13 19.024 -0.701 9.007 384 HD2 PHE 13 HD2 PHE 13 22.969 -1.425 10.544 385 HE1 PHE 13 HE1 PHE 13 18.137 -0.621 11.322 386 HE2 PHE 13 HE2 PHE 13 22.083 -1.344 12.857 387 HZ PHE 13 HZ PHE 13 19.667 -0.942 13.247 388 H ILE 14 HN ILE 14 22.604 -0.386 5.489 389 HA ILE 14 HA ILE 14 24.976 -1.878 5.293 390 HB ILE 14 HB ILE 14 23.496 -0.202 3.255 391 HG12 ILE 14 HG12 ILE 14 23.743 -3.209 3.467 392 HG13 ILE 14 HG11 ILE 14 22.473 -2.318 4.302 393 HG21 ILE 14 HG21 ILE 14 24.840 -1.510 1.578 394 HG22 ILE 14 HG22 ILE 14 25.851 -2.082 2.904 395 HG23 ILE 14 HG23 ILE 14 25.803 -0.363 2.511 396 HD11 ILE 14 HD11 ILE 14 22.990 -2.302 1.315 397 HD12 ILE 14 HD12 ILE 14 21.755 -1.346 2.132 398 HD13 ILE 14 HD13 ILE 14 21.651 -3.106 2.131 399 H LEU 15 HN LEU 15 24.375 1.614 4.925 400 HA LEU 15 HA LEU 15 26.985 2.322 4.146 401 HB2 LEU 15 HB2 LEU 15 24.618 3.729 5.260 402 HB3 LEU 15 HB1 LEU 15 26.176 4.542 5.424 403 HG LEU 15 HG LEU 15 25.832 3.377 2.771 404 HD11 LEU 15 HD11 LEU 15 24.107 4.972 2.014 405 HD12 LEU 15 HD12 LEU 15 23.875 5.507 3.677 406 HD13 LEU 15 HD13 LEU 15 23.458 3.857 3.216 407 HD21 LEU 15 HD21 LEU 15 26.528 5.642 2.111 408 HD22 LEU 15 HD22 LEU 15 27.539 5.058 3.432 409 HD23 LEU 15 HD23 LEU 15 26.252 6.219 3.754 410 H SER 16 HN SER 16 25.482 2.628 7.377 411 HA SER 16 HA SER 16 27.653 3.428 8.836 412 HB2 SER 16 HB2 SER 16 25.539 1.427 9.671 413 HB3 SER 16 HB1 SER 16 26.621 2.268 10.778 414 HG SER 16 HG SER 16 24.957 3.617 10.725 415 H ALA 17 HN ALA 17 26.861 0.120 7.846 416 HA ALA 17 HA ALA 17 28.942 -1.181 9.240 417 HB1 ALA 17 HB1 ALA 17 27.657 -1.968 6.613 418 HB2 ALA 17 HB2 ALA 17 27.005 -2.343 8.209 419 HB3 ALA 17 HB3 ALA 17 28.544 -3.037 7.700 420 H LEU 18 HN LEU 18 28.777 0.157 5.938 421 HA LEU 18 HA LEU 18 31.429 -0.610 5.239 422 HB2 LEU 18 HB2 LEU 18 29.563 1.453 4.059 423 HB3 LEU 18 HB1 LEU 18 31.100 0.974 3.338 424 HG LEU 18 HG LEU 18 28.880 -0.981 3.994 425 HD11 LEU 18 HD11 LEU 18 28.101 0.590 2.286 426 HD12 LEU 18 HD12 LEU 18 28.444 -0.972 1.544 427 HD13 LEU 18 HD13 LEU 18 29.587 0.359 1.365 428 HD21 LEU 18 HD21 LEU 18 30.977 -2.116 3.854 429 HD22 LEU 18 HD22 LEU 18 31.496 -1.141 2.478 430 HD23 LEU 18 HD23 LEU 18 30.220 -2.344 2.277 431 H HIS 19 HN HIS 19 30.101 2.034 7.029 432 HA HIS 19 HA HIS 19 32.185 3.934 6.630 433 HB2 HIS 19 HB2 HIS 19 30.011 3.569 8.669 434 HB3 HIS 19 HB1 HIS 19 31.246 4.802 8.896 435 HD2 HIS 19 HD2 HIS 19 27.887 4.521 7.197 436 HE1 HIS 19 HE1 HIS 19 29.922 7.581 5.117 437 HE2 HIS 19 HE2 HIS 19 27.662 6.485 5.489 438 H PHE 20 HN PHE 20 31.468 1.677 9.313 439 HA PHE 20 HA PHE 20 33.923 2.258 10.656 440 HB2 PHE 20 HB2 PHE 20 31.657 0.430 11.051 441 HB3 PHE 20 HB1 PHE 20 33.205 -0.209 11.603 442 HD1 PHE 20 HD1 PHE 20 30.525 2.127 12.300 443 HD2 PHE 20 HD2 PHE 20 34.643 1.229 13.152 444 HE1 PHE 20 HE1 PHE 20 30.437 3.597 14.298 445 HE2 PHE 20 HE2 PHE 20 34.550 2.698 15.148 446 HZ PHE 20 HZ PHE 20 32.455 3.904 15.728 447 H MET 21 HN MET 21 32.989 0.083 8.103 448 HA MET 21 HA MET 21 35.116 -1.776 8.271 449 HB2 MET 21 HB2 MET 21 33.198 -0.877 6.202 450 HB3 MET 21 HB1 MET 21 34.647 -1.696 5.627 451 HG2 MET 21 HG2 MET 21 34.175 -3.565 7.204 452 HG3 MET 21 HG1 MET 21 32.682 -2.758 7.682 453 HE1 MET 21 HE1 MET 21 31.543 -5.268 6.911 454 HE2 MET 21 HE2 MET 21 30.403 -4.711 5.688 455 HE3 MET 21 HE3 MET 21 30.767 -3.686 7.075 456 H ALA 22 HN ALA 22 34.795 1.235 6.358 457 HA ALA 22 HA ALA 22 37.397 1.117 5.267 458 HB1 ALA 22 HB1 ALA 22 35.397 3.323 5.679 459 HB2 ALA 22 HB2 ALA 22 35.972 2.609 4.171 460 HB3 ALA 22 HB3 ALA 22 37.020 3.686 5.092 461 H TRP 23 HN TRP 23 36.084 2.472 8.247 462 HA TRP 23 HA TRP 23 38.354 3.907 9.083 463 HB2 TRP 23 HB2 TRP 23 36.178 2.529 10.666 464 HB3 TRP 23 HB1 TRP 23 37.399 3.578 11.387 465 HD1 TRP 23 HD1 TRP 23 36.735 4.942 8.093 466 HE1 TRP 23 HE1 TRP 23 35.062 6.898 8.197 467 HE3 TRP 23 HE3 TRP 23 34.913 4.295 12.821 468 HZ2 TRP 23 HZ2 TRP 23 33.202 8.040 10.040 469 HZ3 TRP 23 HZ3 TRP 23 33.193 5.834 13.725 470 HH2 TRP 23 HH2 TRP 23 32.336 7.704 12.341 471 H THR 24 HN THR 24 37.398 0.538 9.759 472 HA THR 24 HA THR 24 39.532 -0.121 11.439 473 HB THR 24 HB THR 24 39.060 -2.462 10.829 474 HG1 THR 24 HG1 THR 24 37.673 -2.889 9.141 475 HG21 THR 24 HG21 THR 24 36.317 -1.960 10.839 476 HG22 THR 24 HG22 THR 24 36.989 -0.538 11.640 477 HG23 THR 24 HG23 THR 24 37.334 -2.154 12.261 478 H ILE 25 HN ILE 25 39.268 -0.218 7.894 479 HA ILE 25 HA ILE 25 41.841 -1.375 7.466 480 HB ILE 25 HB ILE 25 40.084 0.317 5.677 481 HG12 ILE 25 HG12 ILE 25 40.682 -2.657 5.675 482 HG13 ILE 25 HG11 ILE 25 39.257 -1.940 6.429 483 HG21 ILE 25 HG21 ILE 25 41.535 -0.563 3.841 484 HG22 ILE 25 HG22 ILE 25 42.618 -1.237 5.058 485 HG23 ILE 25 HG23 ILE 25 42.408 0.510 4.935 486 HD11 ILE 25 HD11 ILE 25 38.734 -0.881 4.182 487 HD12 ILE 25 HD12 ILE 25 38.587 -2.637 4.234 488 HD13 ILE 25 HD13 ILE 25 40.006 -1.892 3.499 489 H GLY 26 HN GLY 26 40.667 1.932 7.667 490 HA2 GLY 26 HA2 GLY 26 42.982 3.302 6.880 491 HA3 GLY 26 HA1 GLY 26 41.770 3.945 7.987 492 H HIS 27 HN HIS 27 41.957 2.282 10.133 493 HA HIS 27 HA HIS 27 44.282 3.247 11.457 494 HB2 HIS 27 HB2 HIS 27 42.060 2.709 12.540 495 HB3 HIS 27 HB1 HIS 27 42.489 1.003 12.395 496 HD2 HIS 27 HD2 HIS 27 43.715 0.163 14.716 497 HE1 HIS 27 HE1 HIS 27 45.563 3.804 15.789 498 HE2 HIS 27 HE2 HIS 27 45.217 1.382 16.470 499 H LEU 28 HN LEU 28 43.421 0.185 9.957 500 HA LEU 28 HA LEU 28 45.698 -1.258 10.927 501 HB2 LEU 28 HB2 LEU 28 43.712 -1.773 8.715 502 HB3 LEU 28 HB1 LEU 28 45.039 -2.875 9.081 503 HG LEU 28 HG LEU 28 43.112 -1.936 11.210 504 HD11 LEU 28 HD11 LEU 28 41.798 -3.924 10.846 505 HD12 LEU 28 HD12 LEU 28 42.927 -4.514 9.628 506 HD13 LEU 28 HD13 LEU 28 41.929 -3.098 9.294 507 HD21 LEU 28 HD21 LEU 28 43.893 -4.134 12.221 508 HD22 LEU 28 HD22 LEU 28 45.147 -2.904 12.075 509 HD23 LEU 28 HD23 LEU 28 45.074 -4.231 10.916 510 H ASN 29 HN ASN 29 45.324 1.153 8.579 511 HA ASN 29 HA ASN 29 46.825 2.105 7.126 512 HB2 ASN 29 HB2 ASN 29 48.445 1.022 8.994 513 HB3 ASN 29 HB1 ASN 29 48.943 0.083 7.589 514 HD21 ASN 29 HD21 ASN 29 50.949 1.105 7.159 515 HD22 ASN 29 HD22 ASN 29 51.091 2.750 6.765 516 H GLN 30 HN GLN 30 48.418 1.318 5.239 517 HA GLN 30 HA GLN 30 46.765 -0.284 3.516 518 HB2 GLN 30 HB2 GLN 30 49.543 0.823 3.049 519 HB3 GLN 30 HB1 GLN 30 48.451 0.195 1.815 520 HG2 GLN 30 HG2 GLN 30 47.456 2.203 1.654 521 HG3 GLN 30 HG1 GLN 30 47.029 2.137 3.362 522 HE21 GLN 30 HE21 GLN 30 49.839 2.928 1.242 523 HE22 GLN 30 HE22 GLN 30 50.449 4.138 2.263 524 H ILE 31 HN ILE 31 47.797 -2.048 2.170 525 HA ILE 31 HA ILE 31 49.280 -3.856 3.973 526 HB ILE 31 HB ILE 31 47.662 -4.613 1.537 527 HG12 ILE 31 HG12 ILE 31 46.159 -3.542 3.124 528 HG13 ILE 31 HG11 ILE 31 45.906 -5.283 3.194 529 HG21 ILE 31 HG21 ILE 31 47.688 -6.840 2.644 530 HG22 ILE 31 HG22 ILE 31 48.725 -6.178 3.907 531 HG23 ILE 31 HG23 ILE 31 49.310 -6.273 2.246 532 HD11 ILE 31 HD11 ILE 31 45.985 -4.466 5.461 533 HD12 ILE 31 HD12 ILE 31 47.477 -3.584 5.151 534 HD13 ILE 31 HD13 ILE 31 47.484 -5.347 5.171 535 H LYS 32 HN LYS 32 51.272 -4.480 3.439 536 HA LYS 32 HA LYS 32 52.705 -3.315 1.325 537 HB2 LYS 32 HB2 LYS 32 53.283 -5.796 2.961 538 HB3 LYS 32 HB1 LYS 32 54.438 -5.041 1.865 539 HG2 LYS 32 HG2 LYS 32 54.377 -2.973 3.141 540 HG3 LYS 32 HG1 LYS 32 53.099 -3.608 4.177 541 HD2 LYS 32 HD2 LYS 32 55.108 -3.898 5.423 542 HD3 LYS 32 HD1 LYS 32 54.734 -5.494 4.772 543 HE2 LYS 32 HE2 LYS 32 57.099 -5.039 4.422 544 HE3 LYS 32 HE1 LYS 32 56.280 -5.022 2.860 545 HZ1 LYS 32 HZ1 LYS 32 56.502 -2.507 4.344 546 HZ2 LYS 32 HZ2 LYS 32 56.483 -2.777 2.666 547 HZ3 LYS 32 HZ3 LYS 32 57.888 -3.099 3.566 548 H ARG 33 HN ARG 33 53.149 -3.936 -0.723 549 HA ARG 33 HA ARG 33 52.895 -5.016 -2.733 550 HB2 ARG 33 HB2 ARG 33 54.032 -6.798 -1.093 551 HB3 ARG 33 HB1 ARG 33 52.515 -7.646 -1.397 552 HG2 ARG 33 HG2 ARG 33 52.878 -7.423 -3.830 553 HG3 ARG 33 HG1 ARG 33 54.406 -6.596 -3.523 554 HD2 ARG 33 HD2 ARG 33 54.937 -8.899 -3.956 555 HD3 ARG 33 HD1 ARG 33 55.133 -8.644 -2.223 556 HE ARG 33 HE ARG 33 53.370 -10.100 -1.863 557 HH11 ARG 33 HH11 ARG 33 53.365 -9.019 -5.179 558 HH12 ARG 33 HH12 ARG 33 52.116 -10.115 -5.657 559 HH21 ARG 33 HH21 ARG 33 51.745 -11.524 -2.520 560 HH22 ARG 33 HH22 ARG 33 51.204 -11.525 -4.166 561 H1 MET 1 HT1 MET 1 1.559 -3.773 20.726 562 H2 MET 1 HT2 MET 1 3.238 -3.775 20.992 563 H3 MET 1 HT3 MET 1 2.619 -4.156 19.457 564 HA MET 1 HA MET 1 2.159 -2.006 18.922 565 HB2 MET 1 HB2 MET 1 0.863 -1.894 21.227 566 HB3 MET 1 HB1 MET 1 2.308 -1.034 21.756 567 HG2 MET 1 HG2 MET 1 0.861 0.667 20.947 568 HG3 MET 1 HG1 MET 1 2.018 0.405 19.641 569 HE1 MET 1 HE1 MET 1 -0.385 1.924 19.155 570 HE2 MET 1 HE2 MET 1 -1.300 1.220 17.823 571 HE3 MET 1 HE3 MET 1 0.448 1.392 17.688 572 H PHE 2 HN PHE 2 4.395 -2.632 18.249 573 HA PHE 2 HA PHE 2 6.456 -1.215 19.822 574 HB2 PHE 2 HB2 PHE 2 6.688 -3.477 17.826 575 HB3 PHE 2 HB1 PHE 2 8.073 -2.614 18.496 576 HD1 PHE 2 HD1 PHE 2 5.457 -5.075 19.139 577 HD2 PHE 2 HD2 PHE 2 8.523 -2.669 20.947 578 HE1 PHE 2 HE1 PHE 2 5.365 -6.487 21.176 579 HE2 PHE 2 HE2 PHE 2 8.432 -4.083 22.983 580 HZ PHE 2 HZ PHE 2 6.854 -5.992 23.098 581 H GLU 3 HN GLU 3 7.550 0.464 18.926 582 HA GLU 3 HA GLU 3 6.706 1.263 16.243 583 HB2 GLU 3 HB2 GLU 3 8.007 2.852 18.440 584 HB3 GLU 3 HB1 GLU 3 7.600 3.495 16.848 585 HG2 GLU 3 HG2 GLU 3 5.242 2.925 17.199 586 HG3 GLU 3 HG1 GLU 3 5.628 2.241 18.778 587 HA PRO 4 HA PRO 4 10.796 -0.210 14.945 588 HB2 PRO 4 HB2 PRO 4 10.620 0.693 12.336 589 HB3 PRO 4 HB1 PRO 4 9.952 -0.845 12.916 590 HG2 PRO 4 HG2 PRO 4 8.580 1.755 12.450 591 HG3 PRO 4 HG1 PRO 4 8.028 0.105 12.106 592 HD2 PRO 4 HD2 PRO 4 7.140 1.479 14.256 593 HD3 PRO 4 HD1 PRO 4 7.377 -0.284 14.310 594 H PHE 5 HN PHE 5 9.570 3.038 14.591 595 HA PHE 5 HA PHE 5 11.934 4.331 13.766 596 HB2 PHE 5 HB2 PHE 5 9.962 5.589 13.581 597 HB3 PHE 5 HB1 PHE 5 9.480 5.249 15.245 598 HD1 PHE 5 HD1 PHE 5 11.947 7.079 13.142 599 HD2 PHE 5 HD2 PHE 5 10.265 6.573 17.062 600 HE1 PHE 5 HE1 PHE 5 13.109 9.125 13.911 601 HE2 PHE 5 HE2 PHE 5 11.433 8.621 17.828 602 HZ PHE 5 HZ PHE 5 12.858 9.901 16.254 603 H GLN 6 HN GLN 6 10.712 3.464 16.972 604 HA GLN 6 HA GLN 6 12.562 4.957 18.506 605 HB2 GLN 6 HB2 GLN 6 11.007 2.436 19.077 606 HB3 GLN 6 HB1 GLN 6 11.997 3.252 20.289 607 HG2 GLN 6 HG2 GLN 6 10.687 5.269 20.099 608 HG3 GLN 6 HG1 GLN 6 9.802 4.622 18.717 609 HE21 GLN 6 HE21 GLN 6 8.930 5.425 21.591 610 HE22 GLN 6 HE22 GLN 6 8.045 4.075 22.121 611 H ILE 7 HN ILE 7 12.652 1.688 17.236 612 HA ILE 7 HA ILE 7 15.022 0.878 18.558 613 HB ILE 7 HB ILE 7 14.831 -1.117 17.442 614 HG12 ILE 7 HG12 ILE 7 14.163 0.510 14.986 615 HG13 ILE 7 HG11 ILE 7 15.606 -0.444 15.284 616 HG21 ILE 7 HG21 ILE 7 12.495 -0.318 18.198 617 HG22 ILE 7 HG22 ILE 7 12.568 -1.679 17.077 618 HG23 ILE 7 HG23 ILE 7 12.172 -0.066 16.485 619 HD11 ILE 7 HD11 ILE 7 13.989 -2.461 15.430 620 HD12 ILE 7 HD12 ILE 7 14.318 -1.791 13.833 621 HD13 ILE 7 HD13 ILE 7 12.810 -1.398 14.662 622 H LEU 8 HN LEU 8 14.413 2.470 15.479 623 HA LEU 8 HA LEU 8 17.130 2.350 14.593 624 HB2 LEU 8 HB2 LEU 8 15.259 2.592 13.021 625 HB3 LEU 8 HB1 LEU 8 14.865 4.160 13.723 626 HG LEU 8 HG LEU 8 17.116 4.993 13.083 627 HD11 LEU 8 HD11 LEU 8 18.359 3.520 11.380 628 HD12 LEU 8 HD12 LEU 8 17.361 2.191 11.972 629 HD13 LEU 8 HD13 LEU 8 18.457 3.028 13.071 630 HD21 LEU 8 HD21 LEU 8 16.707 5.003 10.616 631 HD22 LEU 8 HD22 LEU 8 15.254 5.361 11.548 632 HD23 LEU 8 HD23 LEU 8 15.479 3.759 10.844 633 H SER 9 HN SER 9 15.250 4.580 16.478 634 HA SER 9 HA SER 9 17.112 6.761 16.350 635 HB2 SER 9 HB2 SER 9 14.724 7.082 16.916 636 HB3 SER 9 HB1 SER 9 14.971 6.180 18.406 637 HG SER 9 HG SER 9 15.218 8.676 18.228 638 H ILE 10 HN ILE 10 16.431 4.180 18.706 639 HA ILE 10 HA ILE 10 18.302 4.976 20.653 640 HB ILE 10 HB ILE 10 17.249 2.223 19.950 641 HG12 ILE 10 HG12 ILE 10 15.678 4.119 20.751 642 HG13 ILE 10 HG11 ILE 10 15.614 2.592 21.623 643 HG21 ILE 10 HG21 ILE 10 18.972 3.211 22.231 644 HG22 ILE 10 HG22 ILE 10 19.237 1.822 21.176 645 HG23 ILE 10 HG23 ILE 10 17.960 1.774 22.391 646 HD11 ILE 10 HD11 ILE 10 16.808 3.457 23.462 647 HD12 ILE 10 HD12 ILE 10 15.734 4.778 23.007 648 HD13 ILE 10 HD13 ILE 10 17.431 4.823 22.536 649 H CYS 11 HN CYS 11 18.610 2.659 17.944 650 HA CYS 11 HA CYS 11 21.301 1.978 18.461 651 HB2 CYS 11 HB2 CYS 11 19.879 0.655 16.981 652 HB3 CYS 11 HB1 CYS 11 19.787 2.001 15.842 653 HG CYS 11 HG CYS 11 21.773 0.170 15.322 654 H SER 12 HN SER 12 19.937 4.341 16.136 655 HA SER 12 HA SER 12 22.326 5.278 15.094 656 HB2 SER 12 HB2 SER 12 20.068 5.865 14.244 657 HB3 SER 12 HB1 SER 12 19.829 6.896 15.653 658 HG SER 12 HG SER 12 21.712 7.152 13.554 659 H PHE 13 HN PHE 13 20.557 6.413 17.964 660 HA PHE 13 HA PHE 13 22.243 8.552 18.632 661 HB2 PHE 13 HB2 PHE 13 20.210 6.913 20.009 662 HB3 PHE 13 HB1 PHE 13 21.390 7.690 21.064 663 HD1 PHE 13 HD1 PHE 13 18.330 8.145 19.353 664 HD2 PHE 13 HD2 PHE 13 21.929 10.213 20.456 665 HE1 PHE 13 HE1 PHE 13 17.164 10.318 19.082 666 HE2 PHE 13 HE2 PHE 13 20.765 12.384 20.187 667 HZ PHE 13 HZ PHE 13 18.383 12.438 19.500 668 H ILE 14 HN ILE 14 22.359 5.127 19.575 669 HA ILE 14 HA ILE 14 24.541 5.294 21.341 670 HB ILE 14 HB ILE 14 23.548 3.038 19.587 671 HG12 ILE 14 HG12 ILE 14 23.403 3.352 22.590 672 HG13 ILE 14 HG11 ILE 14 22.150 3.986 21.525 673 HG21 ILE 14 HG21 ILE 14 24.931 1.586 21.104 674 HG22 ILE 14 HG22 ILE 14 25.689 3.049 21.734 675 HG23 ILE 14 HG23 ILE 14 25.892 2.611 20.037 676 HD11 ILE 14 HD11 ILE 14 23.054 1.094 21.689 677 HD12 ILE 14 HD12 ILE 14 21.841 1.715 20.568 678 HD13 ILE 14 HD13 ILE 14 21.533 1.741 22.303 679 H LEU 15 HN LEU 15 24.398 4.773 17.833 680 HA LEU 15 HA LEU 15 27.157 4.329 17.441 681 HB2 LEU 15 HB2 LEU 15 24.847 5.078 15.732 682 HB3 LEU 15 HB1 LEU 15 26.454 5.432 15.095 683 HG LEU 15 HG LEU 15 26.329 2.786 16.319 684 HD11 LEU 15 HD11 LEU 15 24.917 1.765 14.571 685 HD12 LEU 15 HD12 LEU 15 24.533 3.369 13.945 686 HD13 LEU 15 HD13 LEU 15 23.988 2.896 15.555 687 HD21 LEU 15 HD21 LEU 15 27.367 2.173 14.174 688 HD22 LEU 15 HD22 LEU 15 28.119 3.633 14.816 689 HD23 LEU 15 HD23 LEU 15 26.945 3.749 13.506 690 H SER 16 HN SER 16 25.288 7.324 16.855 691 HA SER 16 HA SER 16 27.334 9.037 16.239 692 HB2 SER 16 HB2 SER 16 24.909 9.628 17.952 693 HB3 SER 16 HB1 SER 16 25.927 10.850 17.196 694 HG SER 16 HG SER 16 24.450 10.540 15.674 695 H ALA 17 HN ALA 17 26.307 8.006 19.466 696 HA ALA 17 HA ALA 17 28.008 9.720 20.945 697 HB1 ALA 17 HB1 ALA 17 26.994 6.964 21.683 698 HB2 ALA 17 HB2 ALA 17 26.098 8.466 21.918 699 HB3 ALA 17 HB3 ALA 17 27.599 8.186 22.801 700 H LEU 18 HN LEU 18 28.435 6.394 19.721 701 HA LEU 18 HA LEU 18 31.043 6.075 20.819 702 HB2 LEU 18 HB2 LEU 18 29.607 4.611 18.601 703 HB3 LEU 18 HB1 LEU 18 31.156 4.113 19.278 704 HG LEU 18 HG LEU 18 28.654 4.510 20.942 705 HD11 LEU 18 HD11 LEU 18 28.291 2.677 19.363 706 HD12 LEU 18 HD12 LEU 18 28.549 2.023 20.980 707 HD13 LEU 18 HD13 LEU 18 29.850 1.970 19.791 708 HD21 LEU 18 HD21 LEU 18 30.603 4.678 22.313 709 HD22 LEU 18 HD22 LEU 18 31.410 3.363 21.458 710 HD23 LEU 18 HD23 LEU 18 30.039 3.019 22.512 711 H HIS 19 HN HIS 19 29.811 7.587 17.959 712 HA HIS 19 HA HIS 19 32.140 7.450 16.334 713 HB2 HIS 19 HB2 HIS 19 29.689 9.184 16.373 714 HB3 HIS 19 HB1 HIS 19 31.021 9.546 15.280 715 HD2 HIS 19 HD2 HIS 19 27.903 7.421 15.240 716 HE1 HIS 19 HE1 HIS 19 30.540 5.556 12.523 717 HE2 HIS 19 HE2 HIS 19 28.136 5.652 13.334 718 H PHE 20 HN PHE 20 30.822 10.058 18.405 719 HA PHE 20 HA PHE 20 33.132 11.707 18.040 720 HB2 PHE 20 HB2 PHE 20 30.633 11.831 19.581 721 HB3 PHE 20 HB1 PHE 20 32.010 12.601 20.373 722 HD1 PHE 20 HD1 PHE 20 29.557 12.873 17.727 723 HD2 PHE 20 HD2 PHE 20 33.390 14.295 19.051 724 HE1 PHE 20 HE1 PHE 20 29.365 14.820 16.198 725 HE2 PHE 20 HE2 PHE 20 33.197 16.240 17.522 726 HZ PHE 20 HZ PHE 20 31.184 16.503 16.099 727 H MET 21 HN MET 21 32.294 9.101 20.184 728 HA MET 21 HA MET 21 34.139 9.602 22.273 729 HB2 MET 21 HB2 MET 21 32.630 7.274 21.239 730 HB3 MET 21 HB1 MET 21 34.035 6.917 22.238 731 HG2 MET 21 HG2 MET 21 33.145 8.460 23.981 732 HG3 MET 21 HG1 MET 21 31.709 8.716 22.991 733 HE1 MET 21 HE1 MET 21 30.391 7.861 25.384 734 HE2 MET 21 HE2 MET 21 29.492 6.485 24.751 735 HE3 MET 21 HE3 MET 21 29.791 7.881 23.718 736 H ALA 22 HN ALA 22 34.426 7.593 19.332 737 HA ALA 22 HA ALA 22 37.120 6.865 19.775 738 HB1 ALA 22 HB1 ALA 22 35.353 6.953 17.345 739 HB2 ALA 22 HB2 ALA 22 36.034 5.553 18.176 740 HB3 ALA 22 HB3 ALA 22 37.071 6.582 17.187 741 H TRP 23 HN TRP 23 35.597 9.611 18.172 742 HA TRP 23 HA TRP 23 37.891 10.709 16.965 743 HB2 TRP 23 HB2 TRP 23 35.379 12.013 18.023 744 HB3 TRP 23 HB1 TRP 23 36.607 12.869 17.091 745 HD1 TRP 23 HD1 TRP 23 36.549 9.484 15.791 746 HE1 TRP 23 HE1 TRP 23 35.117 9.319 13.654 747 HE3 TRP 23 HE3 TRP 23 34.062 13.935 16.052 748 HZ2 TRP 23 HZ2 TRP 23 33.176 10.872 12.241 749 HZ3 TRP 23 HZ3 TRP 23 32.431 14.574 14.305 750 HH2 TRP 23 HH2 TRP 23 31.986 13.044 12.395 751 H THR 24 HN THR 24 36.476 11.304 20.182 752 HA THR 24 HA THR 24 38.266 13.295 21.005 753 HB THR 24 HB THR 24 37.610 12.681 23.300 754 HG1 THR 24 HG1 THR 24 36.416 10.833 23.633 755 HG21 THR 24 HG21 THR 24 34.967 12.318 22.492 756 HG22 THR 24 HG22 THR 24 35.690 13.166 21.126 757 HG23 THR 24 HG23 THR 24 35.762 13.867 22.744 758 H ILE 25 HN ILE 25 38.467 9.745 21.209 759 HA ILE 25 HA ILE 25 40.916 9.701 22.672 760 HB ILE 25 HB ILE 25 39.619 7.655 20.861 761 HG12 ILE 25 HG12 ILE 25 39.857 7.800 23.880 762 HG13 ILE 25 HG11 ILE 25 38.440 8.341 22.978 763 HG21 ILE 25 HG21 ILE 25 41.182 6.049 21.969 764 HG22 ILE 25 HG22 ILE 25 42.010 7.414 22.715 765 HG23 ILE 25 HG23 ILE 25 42.025 7.225 20.962 766 HD11 ILE 25 HD11 ILE 25 38.344 6.017 21.954 767 HD12 ILE 25 HD12 ILE 25 37.984 6.093 23.679 768 HD13 ILE 25 HD13 ILE 25 39.565 5.537 23.131 769 H GLY 26 HN GLY 26 40.119 9.658 19.259 770 HA2 GLY 26 HA2 GLY 26 42.659 9.163 18.177 771 HA3 GLY 26 HA1 GLY 26 41.395 10.080 17.361 772 H HIS 27 HN HIS 27 41.110 12.270 18.958 773 HA HIS 27 HA HIS 27 43.339 13.873 18.203 774 HB2 HIS 27 HB2 HIS 27 40.946 14.661 18.439 775 HB3 HIS 27 HB1 HIS 27 41.185 14.615 20.188 776 HD2 HIS 27 HD2 HIS 27 41.992 17.098 21.072 777 HE1 HIS 27 HE1 HIS 27 44.102 18.322 17.626 778 HE2 HIS 27 HE2 HIS 27 43.385 19.008 19.964 779 H LEU 28 HN LEU 28 42.334 12.329 21.194 780 HA LEU 28 HA LEU 28 44.269 13.643 22.855 781 HB2 LEU 28 HB2 LEU 28 42.544 11.196 23.226 782 HB3 LEU 28 HB1 LEU 28 43.673 11.763 24.458 783 HG LEU 28 HG LEU 28 41.608 13.592 23.226 784 HD11 LEU 28 HD11 LEU 28 40.128 13.102 25.064 785 HD12 LEU 28 HD12 LEU 28 41.329 12.054 25.823 786 HD13 LEU 28 HD13 LEU 28 40.556 11.562 24.316 787 HD21 LEU 28 HD21 LEU 28 41.986 14.748 25.458 788 HD22 LEU 28 HD22 LEU 28 43.384 14.744 24.385 789 HD23 LEU 28 HD23 LEU 28 43.309 13.615 25.737 790 H ASN 29 HN ASN 29 44.494 11.209 20.512 791 HA ASN 29 HA ASN 29 46.273 9.953 19.793 792 HB2 ASN 29 HB2 ASN 29 47.494 12.043 20.983 793 HB3 ASN 29 HB1 ASN 29 48.057 10.739 22.025 794 HD21 ASN 29 HD21 ASN 29 50.209 10.558 21.254 795 HD22 ASN 29 HD22 ASN 29 50.594 10.153 19.653 796 H GLN 30 HN GLN 30 47.996 8.316 20.830 797 HA GLN 30 HA GLN 30 46.404 6.424 22.301 798 HB2 GLN 30 HB2 GLN 30 49.331 6.308 21.534 799 HB3 GLN 30 HB1 GLN 30 48.342 4.952 22.081 800 HG2 GLN 30 HG2 GLN 30 47.621 4.613 19.981 801 HG3 GLN 30 HG1 GLN 30 46.969 6.250 19.931 802 HE21 GLN 30 HE21 GLN 30 50.107 4.510 19.551 803 HE22 GLN 30 HE22 GLN 30 50.717 5.576 18.378 804 H ILE 31 HN ILE 31 47.390 5.269 24.220 805 HA ILE 31 HA ILE 31 48.402 7.297 26.113 806 HB ILE 31 HB ILE 31 47.036 4.685 26.775 807 HG12 ILE 31 HG12 ILE 31 45.475 6.029 25.479 808 HG13 ILE 31 HG11 ILE 31 45.013 6.106 27.177 809 HG21 ILE 31 HG21 ILE 31 46.654 5.837 28.947 810 HG22 ILE 31 HG22 ILE 31 47.588 7.212 28.358 811 HG23 ILE 31 HG23 ILE 31 48.370 5.648 28.584 812 HD11 ILE 31 HD11 ILE 31 44.892 8.346 26.284 813 HD12 ILE 31 HD12 ILE 31 46.506 8.217 25.593 814 HD13 ILE 31 HD13 ILE 31 46.299 8.278 27.343 815 H LYS 32 HN LYS 32 50.359 7.051 26.978 816 HA LYS 32 HA LYS 32 52.183 5.121 26.068 817 HB2 LYS 32 HB2 LYS 32 52.243 6.879 28.532 818 HB3 LYS 32 HB1 LYS 32 53.614 5.930 27.957 819 HG2 LYS 32 HG2 LYS 32 53.631 7.138 25.846 820 HG3 LYS 32 HG1 LYS 32 52.163 8.007 26.293 821 HD2 LYS 32 HD2 LYS 32 53.945 9.517 26.759 822 HD3 LYS 32 HD1 LYS 32 53.475 8.859 28.328 823 HE2 LYS 32 HE2 LYS 32 55.902 8.817 28.158 824 HE3 LYS 32 HE1 LYS 32 55.302 7.161 28.107 825 HZ1 LYS 32 HZ1 LYS 32 55.623 8.605 25.580 826 HZ2 LYS 32 HZ2 LYS 32 55.790 6.947 25.907 827 HZ3 LYS 32 HZ3 LYS 32 57.018 8.031 26.354 828 H ARG 33 HN ARG 33 52.815 3.169 26.814 829 HA ARG 33 HA ARG 33 52.700 1.167 27.935 830 HB2 ARG 33 HB2 ARG 33 53.396 2.987 29.771 831 HB3 ARG 33 HB1 ARG 33 51.843 2.503 30.452 832 HG2 ARG 33 HG2 ARG 33 52.543 0.134 30.366 833 HG3 ARG 33 HG1 ARG 33 54.105 0.624 29.707 834 HD2 ARG 33 HD2 ARG 33 54.412 0.321 32.070 835 HD3 ARG 33 HD1 ARG 33 54.409 2.058 31.772 836 HE ARG 33 HE ARG 33 52.454 2.211 33.003 837 HH11 ARG 33 HH11 ARG 33 53.010 -1.100 32.059 838 HH12 ARG 33 HH12 ARG 33 51.715 -1.716 33.024 839 HH21 ARG 33 HH21 ARG 33 50.773 1.376 34.259 840 HH22 ARG 33 HH22 ARG 33 50.457 -0.328 34.262 841 H1 MET 1 HT1 MET 1 -0.676 16.568 22.147 842 H2 MET 1 HT2 MET 1 0.940 17.079 22.268 843 H3 MET 1 HT3 MET 1 0.533 15.456 22.567 844 HA MET 1 HA MET 1 0.294 14.937 20.376 845 HB2 MET 1 HB2 MET 1 -1.323 17.031 20.240 846 HB3 MET 1 HB1 MET 1 0.077 17.797 19.493 847 HG2 MET 1 HG2 MET 1 -1.125 16.846 17.678 848 HG3 MET 1 HG1 MET 1 0.195 15.717 17.982 849 HE1 MET 1 HE1 MET 1 -2.014 14.941 16.294 850 HE2 MET 1 HE2 MET 1 -2.760 13.464 16.898 851 HE3 MET 1 HE3 MET 1 -1.005 13.593 16.835 852 H PHE 2 HN PHE 2 2.562 14.577 21.127 853 HA PHE 2 HA PHE 2 4.448 16.488 19.893 854 HB2 PHE 2 HB2 PHE 2 4.836 14.465 22.111 855 HB3 PHE 2 HB1 PHE 2 6.156 15.363 21.359 856 HD1 PHE 2 HD1 PHE 2 3.327 15.525 23.659 857 HD2 PHE 2 HD2 PHE 2 6.235 17.848 21.512 858 HE1 PHE 2 HE1 PHE 2 2.848 17.474 25.116 859 HE2 PHE 2 HE2 PHE 2 5.756 19.795 22.970 860 HZ PHE 2 HZ PHE 2 4.063 19.610 24.772 861 H GLU 3 HN GLU 3 5.763 15.825 18.265 862 HA GLU 3 HA GLU 3 5.378 13.078 17.340 863 HB2 GLU 3 HB2 GLU 3 6.432 15.499 15.903 864 HB3 GLU 3 HB1 GLU 3 6.307 13.888 15.190 865 HG2 GLU 3 HG2 GLU 3 3.894 13.868 15.611 866 HG3 GLU 3 HG1 GLU 3 3.996 15.460 16.361 867 HA PRO 4 HA PRO 4 9.519 12.337 19.042 868 HB2 PRO 4 HB2 PRO 4 9.785 9.766 18.058 869 HB3 PRO 4 HB1 PRO 4 8.949 10.185 19.564 870 HG2 PRO 4 HG2 PRO 4 7.819 9.620 16.868 871 HG3 PRO 4 HG1 PRO 4 7.225 9.139 18.468 872 HD2 PRO 4 HD2 PRO 4 6.114 11.184 17.100 873 HD3 PRO 4 HD1 PRO 4 6.233 11.208 18.875 874 H PHE 5 HN PHE 5 8.557 11.929 15.714 875 HA PHE 5 HA PHE 5 11.093 11.505 14.556 876 HB2 PHE 5 HB2 PHE 5 9.250 11.083 13.166 877 HB3 PHE 5 HB1 PHE 5 8.508 12.644 13.520 878 HD1 PHE 5 HD1 PHE 5 11.365 10.995 11.796 879 HD2 PHE 5 HD2 PHE 5 9.092 14.604 12.302 880 HE1 PHE 5 HE1 PHE 5 12.520 11.999 9.849 881 HE2 PHE 5 HE2 PHE 5 10.251 15.608 10.355 882 HZ PHE 5 HZ PHE 5 11.967 14.306 9.125 883 H GLN 6 HN GLN 6 9.350 14.471 15.406 884 HA GLN 6 HA GLN 6 11.047 16.308 14.103 885 HB2 GLN 6 HB2 GLN 6 9.273 16.551 16.531 886 HB3 GLN 6 HB1 GLN 6 10.119 17.924 15.816 887 HG2 GLN 6 HG2 GLN 6 8.980 17.621 13.712 888 HG3 GLN 6 HG1 GLN 6 8.271 16.102 14.261 889 HE21 GLN 6 HE21 GLN 6 7.033 18.845 13.482 890 HE22 GLN 6 HE22 GLN 6 5.999 19.190 14.784 891 H ILE 7 HN ILE 7 11.123 14.946 17.333 892 HA ILE 7 HA ILE 7 13.216 16.570 18.334 893 HB ILE 7 HB ILE 7 13.075 15.370 20.281 894 HG12 ILE 7 HG12 ILE 7 12.879 12.902 18.548 895 HG13 ILE 7 HG11 ILE 7 14.200 13.374 19.604 896 HG21 ILE 7 HG21 ILE 7 10.707 15.807 19.358 897 HG22 ILE 7 HG22 ILE 7 10.862 14.656 20.686 898 HG23 ILE 7 HG23 ILE 7 10.655 14.076 19.034 899 HD11 ILE 7 HD11 ILE 7 12.455 13.205 21.511 900 HD12 ILE 7 HD12 ILE 7 13.062 11.700 20.821 901 HD13 ILE 7 HD13 ILE 7 11.476 12.310 20.350 902 H LEU 8 HN LEU 8 13.179 13.482 16.611 903 HA LEU 8 HA LEU 8 15.980 13.017 16.904 904 HB2 LEU 8 HB2 LEU 8 14.387 11.195 16.489 905 HB3 LEU 8 HB1 LEU 8 13.990 11.891 14.918 906 HG LEU 8 HG LEU 8 16.362 11.626 14.225 907 HD11 LEU 8 HD11 LEU 8 17.747 10.067 15.728 908 HD12 LEU 8 HD12 LEU 8 16.590 10.452 17.002 909 HD13 LEU 8 HD13 LEU 8 17.561 11.733 16.276 910 HD21 LEU 8 HD21 LEU 8 16.333 9.123 14.124 911 HD22 LEU 8 HD22 LEU 8 14.796 9.852 13.670 912 HD23 LEU 8 HD23 LEU 8 14.990 9.128 15.268 913 H SER 9 HN SER 9 13.974 14.667 14.584 914 HA SER 9 HA SER 9 15.971 14.910 12.544 915 HB2 SER 9 HB2 SER 9 13.548 15.132 12.085 916 HB3 SER 9 HB1 SER 9 13.520 16.611 13.041 917 HG SER 9 HG SER 9 13.936 16.560 10.562 918 H ILE 10 HN ILE 10 14.780 17.054 15.126 919 HA ILE 10 HA ILE 10 16.395 19.274 14.520 920 HB ILE 10 HB ILE 10 15.291 18.325 17.180 921 HG12 ILE 10 HG12 ILE 10 13.740 18.956 15.203 922 HG13 ILE 10 HG11 ILE 10 13.451 19.751 16.746 923 HG21 ILE 10 HG21 ILE 10 16.714 20.867 16.368 924 HG22 ILE 10 HG22 ILE 10 17.045 19.815 17.744 925 HG23 ILE 10 HG23 ILE 10 15.602 20.827 17.737 926 HD11 ILE 10 HD11 ILE 10 14.410 21.776 16.012 927 HD12 ILE 10 HD12 ILE 10 13.498 21.217 14.612 928 HD13 ILE 10 HD13 ILE 10 15.247 21.002 14.667 929 H CYS 11 HN CYS 11 16.959 16.558 16.779 930 HA CYS 11 HA CYS 11 19.496 17.435 17.652 931 HB2 CYS 11 HB2 CYS 11 18.232 15.715 18.834 932 HB3 CYS 11 HB1 CYS 11 18.393 14.627 17.454 933 HG CYS 11 HG CYS 11 20.320 14.339 19.400 934 H SER 12 HN SER 12 18.641 15.022 15.144 935 HA SER 12 HA SER 12 21.210 14.380 14.333 936 HB2 SER 12 HB2 SER 12 19.144 13.230 13.573 937 HB3 SER 12 HB1 SER 12 18.761 14.625 12.569 938 HG SER 12 HG SER 12 20.946 12.836 12.378 939 H PHE 13 HN PHE 13 19.100 16.993 13.140 940 HA PHE 13 HA PHE 13 20.802 17.985 11.157 941 HB2 PHE 13 HB2 PHE 13 18.492 18.990 12.697 942 HB3 PHE 13 HB1 PHE 13 19.547 20.234 12.027 943 HD1 PHE 13 HD1 PHE 13 16.809 18.107 11.328 944 HD2 PHE 13 HD2 PHE 13 20.320 19.804 9.530 945 HE1 PHE 13 HE1 PHE 13 15.830 17.749 9.077 946 HE2 PHE 13 HE2 PHE 13 19.344 19.446 7.281 947 HZ PHE 13 HZ PHE 13 17.099 18.418 7.054 948 H ILE 14 HN ILE 14 20.557 18.816 14.597 949 HA ILE 14 HA ILE 14 22.468 20.877 14.632 950 HB ILE 14 HB ILE 14 21.609 18.917 16.772 951 HG12 ILE 14 HG12 ILE 14 21.043 21.878 16.529 952 HG13 ILE 14 HG11 ILE 14 20.002 20.668 15.783 953 HG21 ILE 14 HG21 ILE 14 22.664 20.568 18.350 954 HG22 ILE 14 HG22 ILE 14 23.404 21.354 16.955 955 HG23 ILE 14 HG23 ILE 14 23.833 19.692 17.359 956 HD11 ILE 14 HD11 ILE 14 20.690 20.855 18.732 957 HD12 ILE 14 HD12 ILE 14 19.704 19.588 18.003 958 HD13 ILE 14 HD13 ILE 14 19.137 21.259 18.001 959 H LEU 15 HN LEU 15 22.823 17.360 15.043 960 HA LEU 15 HA LEU 15 25.574 17.378 15.662 961 HB2 LEU 15 HB2 LEU 15 23.597 15.373 14.717 962 HB3 LEU 15 HB1 LEU 15 25.299 14.993 14.455 963 HG LEU 15 HG LEU 15 24.829 16.088 17.119 964 HD11 LEU 15 HD11 LEU 15 23.629 14.114 17.993 965 HD12 LEU 15 HD12 LEU 15 23.443 13.502 16.349 966 HD13 LEU 15 HD13 LEU 15 22.638 14.995 16.831 967 HD21 LEU 15 HD21 LEU 15 26.133 14.097 17.741 968 HD22 LEU 15 HD22 LEU 15 26.870 14.894 16.350 969 HD23 LEU 15 HD23 LEU 15 25.911 13.431 16.122 970 H SER 16 HN SER 16 23.991 16.639 12.542 971 HA SER 16 HA SER 16 26.206 16.385 10.949 972 HB2 SER 16 HB2 SER 16 23.599 17.751 10.238 973 HB3 SER 16 HB1 SER 16 24.793 17.192 9.070 974 HG SER 16 HG SER 16 23.539 15.461 9.239 975 H ALA 17 HN ALA 17 24.644 19.394 11.970 976 HA ALA 17 HA ALA 17 26.220 21.163 10.437 977 HB1 ALA 17 HB1 ALA 17 24.941 21.641 13.141 978 HB2 ALA 17 HB2 ALA 17 24.116 21.799 11.590 979 HB3 ALA 17 HB3 ALA 17 25.449 22.881 11.994 980 H LEU 18 HN LEU 18 26.615 19.902 13.747 981 HA LEU 18 HA LEU 18 29.017 21.343 14.269 982 HB2 LEU 18 HB2 LEU 18 27.834 18.890 15.576 983 HB3 LEU 18 HB1 LEU 18 29.233 19.768 16.192 984 HG LEU 18 HG LEU 18 26.539 21.059 15.676 985 HD11 LEU 18 HD11 LEU 18 26.310 19.377 17.440 986 HD12 LEU 18 HD12 LEU 18 26.277 20.990 18.152 987 HD13 LEU 18 HD13 LEU 18 27.738 20.008 18.259 988 HD21 LEU 18 HD21 LEU 18 28.269 22.707 15.673 989 HD22 LEU 18 HD22 LEU 18 29.112 21.934 17.015 990 HD23 LEU 18 HD23 LEU 18 27.582 22.763 17.295 991 H HIS 19 HN HIS 19 28.318 18.404 12.581 992 HA HIS 19 HA HIS 19 30.849 17.125 12.846 993 HB2 HIS 19 HB2 HIS 19 28.529 16.867 10.956 994 HB3 HIS 19 HB1 HIS 19 30.026 15.996 10.652 995 HD2 HIS 19 HD2 HIS 19 26.825 15.420 12.565 996 HE1 HIS 19 HE1 HIS 19 29.720 13.053 14.525 997 HE2 HIS 19 HE2 HIS 19 27.230 13.504 14.294 998 H PHE 20 HN PHE 20 29.397 19.071 10.213 999 HA PHE 20 HA PHE 20 31.828 19.114 8.708 1000 HB2 PHE 20 HB2 PHE 20 29.141 20.279 8.465 1001 HB3 PHE 20 HB1 PHE 20 30.430 21.290 7.811 1002 HD1 PHE 20 HD1 PHE 20 28.417 18.326 7.304 1003 HD2 PHE 20 HD2 PHE 20 32.091 20.248 6.174 1004 HE1 PHE 20 HE1 PHE 20 28.581 16.850 5.316 1005 HE2 PHE 20 HE2 PHE 20 32.253 18.771 4.188 1006 HZ PHE 20 HZ PHE 20 30.502 17.066 3.759 1007 H MET 21 HN MET 21 30.516 21.030 11.306 1008 HA MET 21 HA MET 21 32.071 23.370 10.989 1009 HB2 MET 21 HB2 MET 21 30.590 22.050 13.188 1010 HB3 MET 21 HB1 MET 21 31.807 23.232 13.660 1011 HG2 MET 21 HG2 MET 21 30.762 24.878 12.110 1012 HG3 MET 21 HG1 MET 21 29.508 23.697 11.734 1013 HE1 MET 21 HE1 MET 21 27.797 25.831 12.567 1014 HE2 MET 21 HE2 MET 21 26.923 25.023 13.866 1015 HE3 MET 21 HE3 MET 21 27.455 24.098 12.465 1016 H ALA 22 HN ALA 22 32.665 20.430 12.932 1017 HA ALA 22 HA ALA 22 35.213 21.237 13.848 1018 HB1 ALA 22 HB1 ALA 22 33.843 18.575 13.579 1019 HB2 ALA 22 HB2 ALA 22 34.302 19.448 15.042 1020 HB3 ALA 22 HB3 ALA 22 35.537 18.663 14.058 1021 H TRP 23 HN TRP 23 34.116 19.524 10.965 1022 HA TRP 23 HA TRP 23 36.629 18.714 9.988 1023 HB2 TRP 23 HB2 TRP 23 34.074 19.440 8.544 1024 HB3 TRP 23 HB1 TRP 23 35.481 18.735 7.748 1025 HD1 TRP 23 HD1 TRP 23 35.409 17.315 11.081 1026 HE1 TRP 23 HE1 TRP 23 34.302 14.988 11.099 1027 HE3 TRP 23 HE3 TRP 23 33.180 17.360 6.485 1028 HZ2 TRP 23 HZ2 TRP 23 32.689 13.361 9.394 1029 HZ3 TRP 23 HZ3 TRP 23 31.866 15.407 5.707 1030 HH2 TRP 23 HH2 TRP 23 31.620 13.409 7.156 1031 H THR 24 HN THR 24 34.782 21.701 9.366 1032 HA THR 24 HA THR 24 36.556 22.860 7.546 1033 HB THR 24 HB THR 24 35.529 25.008 8.175 1034 HG1 THR 24 HG1 THR 24 34.189 25.097 9.951 1035 HG21 THR 24 HG21 THR 24 33.017 23.806 8.349 1036 HG22 THR 24 HG22 THR 24 33.986 22.594 7.512 1037 HG23 THR 24 HG23 THR 24 33.858 24.230 6.861 1038 H ILE 25 HN ILE 25 36.497 22.965 11.097 1039 HA ILE 25 HA ILE 25 38.702 24.758 11.353 1040 HB ILE 25 HB ILE 25 37.566 22.706 13.261 1041 HG12 ILE 25 HG12 ILE 25 37.362 25.731 13.209 1042 HG13 ILE 25 HG11 ILE 25 36.131 24.650 12.554 1043 HG21 ILE 25 HG21 ILE 25 38.846 23.971 14.994 1044 HG22 ILE 25 HG22 ILE 25 39.635 24.882 13.708 1045 HG23 ILE 25 HG23 ILE 25 39.902 23.145 13.847 1046 HD11 ILE 25 HD11 ILE 25 36.046 23.541 14.836 1047 HD12 ILE 25 HD12 ILE 25 35.441 25.197 14.786 1048 HD13 ILE 25 HD13 ILE 25 37.049 24.864 15.428 1049 H GLY 26 HN GLY 26 38.421 21.262 11.238 1050 HA2 GLY 26 HA2 GLY 26 41.060 20.553 11.880 1051 HA3 GLY 26 HA1 GLY 26 39.990 19.594 10.862 1052 H HIS 27 HN HIS 27 39.604 21.210 8.700 1053 HA HIS 27 HA HIS 27 42.014 20.849 7.230 1054 HB2 HIS 27 HB2 HIS 27 39.663 20.764 6.292 1055 HB3 HIS 27 HB1 HIS 27 39.639 22.525 6.402 1056 HD2 HIS 27 HD2 HIS 27 40.451 23.607 4.001 1057 HE1 HIS 27 HE1 HIS 27 43.125 20.558 2.826 1058 HE2 HIS 27 HE2 HIS 27 42.110 22.788 2.158 1059 H LEU 28 HN LEU 28 40.473 23.611 8.765 1060 HA LEU 28 HA LEU 28 42.225 25.580 7.646 1061 HB2 LEU 28 HB2 LEU 28 40.318 25.600 9.984 1062 HB3 LEU 28 HB1 LEU 28 41.283 27.006 9.528 1063 HG LEU 28 HG LEU 28 39.542 25.552 7.531 1064 HD11 LEU 28 HD11 LEU 28 37.777 27.136 7.972 1065 HD12 LEU 28 HD12 LEU 28 38.785 28.022 9.116 1066 HD13 LEU 28 HD13 LEU 28 38.214 26.401 9.515 1067 HD21 LEU 28 HD21 LEU 28 39.654 27.858 6.465 1068 HD22 LEU 28 HD22 LEU 28 41.193 26.999 6.532 1069 HD23 LEU 28 HD23 LEU 28 40.849 28.284 7.691 1070 H ASN 29 HN ASN 29 42.643 23.206 10.029 1071 HA ASN 29 HA ASN 29 44.434 22.710 11.376 1072 HB2 ASN 29 HB2 ASN 29 45.591 24.139 9.403 1073 HB3 ASN 29 HB1 ASN 29 45.912 25.205 10.768 1074 HD21 ASN 29 HD21 ASN 29 48.140 24.753 11.067 1075 HD22 ASN 29 HD22 ASN 29 48.734 23.211 11.455 1076 H GLN 30 HN GLN 30 45.882 23.928 13.149 1077 HA GLN 30 HA GLN 30 43.976 25.078 14.972 1078 HB2 GLN 30 HB2 GLN 30 46.971 24.745 15.259 1079 HB3 GLN 30 HB1 GLN 30 45.832 25.092 16.560 1080 HG2 GLN 30 HG2 GLN 30 45.410 22.898 16.795 1081 HG3 GLN 30 HG1 GLN 30 44.876 22.812 15.118 1082 HE21 GLN 30 HE21 GLN 30 47.923 22.835 17.051 1083 HE22 GLN 30 HE22 GLN 30 48.764 21.803 15.996 1084 H ILE 31 HN ILE 31 44.593 27.077 16.241 1085 HA ILE 31 HA ILE 31 45.433 29.172 14.337 1086 HB ILE 31 HB ILE 31 43.827 29.530 16.872 1087 HG12 ILE 31 HG12 ILE 31 42.563 28.068 15.392 1088 HG13 ILE 31 HG11 ILE 31 41.857 29.679 15.333 1089 HG21 ILE 31 HG21 ILE 31 43.196 31.660 15.755 1090 HG22 ILE 31 HG22 ILE 31 44.291 31.269 14.430 1091 HG23 ILE 31 HG23 ILE 31 44.931 31.550 16.049 1092 HD11 ILE 31 HD11 ILE 31 42.004 28.864 13.067 1093 HD12 ILE 31 HD12 ILE 31 43.693 28.414 13.281 1094 HD13 ILE 31 HD13 ILE 31 43.232 30.114 13.254 1095 H LYS 32 HN LYS 32 47.221 30.306 14.735 1096 HA LYS 32 HA LYS 32 49.038 29.602 16.754 1097 HB2 LYS 32 HB2 LYS 32 48.839 32.111 15.073 1098 HB3 LYS 32 HB1 LYS 32 50.220 31.711 16.094 1099 HG2 LYS 32 HG2 LYS 32 50.624 29.670 14.834 1100 HG3 LYS 32 HG1 LYS 32 49.162 29.927 13.882 1101 HD2 LYS 32 HD2 LYS 32 50.942 30.705 12.506 1102 HD3 LYS 32 HD1 LYS 32 50.204 32.162 13.172 1103 HE2 LYS 32 HE2 LYS 32 52.623 32.349 13.368 1104 HE3 LYS 32 HE1 LYS 32 51.937 32.152 14.980 1105 HZ1 LYS 32 HZ1 LYS 32 52.719 29.751 13.495 1106 HZ2 LYS 32 HZ2 LYS 32 52.732 30.042 15.169 1107 HZ3 LYS 32 HZ3 LYS 32 53.945 30.701 14.179 1108 H ARG 33 HN ARG 33 49.432 30.361 18.766 1109 HA ARG 33 HA ARG 33 49.030 31.379 20.783 1110 HB2 ARG 33 HB2 ARG 33 49.556 33.361 19.067 1111 HB3 ARG 33 HB1 ARG 33 47.891 33.789 19.464 1112 HG2 ARG 33 HG2 ARG 33 48.448 33.720 21.869 1113 HG3 ARG 33 HG1 ARG 33 50.118 33.317 21.468 1114 HD2 ARG 33 HD2 ARG 33 50.052 35.685 21.854 1115 HD3 ARG 33 HD1 ARG 33 50.199 35.455 20.113 1116 HE ARG 33 HE ARG 33 48.097 36.392 19.866 1117 HH11 ARG 33 HH11 ARG 33 48.583 35.415 23.178 1118 HH12 ARG 33 HH12 ARG 33 47.124 36.156 23.734 1119 HH21 ARG 33 HH21 ARG 33 46.200 37.355 20.625 1120 HH22 ARG 33 HH22 ARG 33 45.783 37.248 22.303 Start of MODEL 4 1 H1 MET 1 HT1 MET 1 9.420 17.627 0.372 2 H2 MET 1 HT2 MET 1 8.254 17.382 -0.840 3 H3 MET 1 HT3 MET 1 8.599 16.146 0.272 4 HA MET 1 HA MET 1 7.895 17.961 2.003 5 HB2 MET 1 HB2 MET 1 7.310 19.168 -0.503 6 HB3 MET 1 HB1 MET 1 5.765 18.735 0.229 7 HG2 MET 1 HG2 MET 1 6.369 19.905 2.284 8 HG3 MET 1 HG1 MET 1 7.969 20.267 1.639 9 HE1 MET 1 HE1 MET 1 7.066 22.469 2.683 10 HE2 MET 1 HE2 MET 1 5.310 22.343 2.661 11 HE3 MET 1 HE3 MET 1 6.103 23.664 1.804 12 H PHE 2 HN PHE 2 5.158 17.929 2.102 13 HA PHE 2 HA PHE 2 3.334 16.589 2.489 14 HB2 PHE 2 HB2 PHE 2 4.515 15.495 0.048 15 HB3 PHE 2 HB1 PHE 2 3.651 14.288 0.994 16 HD1 PHE 2 HD1 PHE 2 3.373 17.301 -1.036 17 HD2 PHE 2 HD2 PHE 2 1.259 14.638 1.585 18 HE1 PHE 2 HE1 PHE 2 1.217 18.219 -1.843 19 HE2 PHE 2 HE2 PHE 2 -0.900 15.555 0.781 20 HZ PHE 2 HZ PHE 2 -0.921 17.345 -0.935 21 H GLU 3 HN GLU 3 5.653 14.007 1.743 22 HA GLU 3 HA GLU 3 5.024 12.718 4.225 23 HB2 GLU 3 HB2 GLU 3 6.983 11.991 2.069 24 HB3 GLU 3 HB1 GLU 3 6.561 10.957 3.433 25 HG2 GLU 3 HG2 GLU 3 4.616 12.017 1.359 26 HG3 GLU 3 HG1 GLU 3 5.249 10.372 1.418 27 HA PRO 4 HA PRO 4 8.278 14.952 6.469 28 HB2 PRO 4 HB2 PRO 4 7.830 12.743 8.419 29 HB3 PRO 4 HB1 PRO 4 7.815 14.497 8.671 30 HG2 PRO 4 HG2 PRO 4 5.565 13.088 8.641 31 HG3 PRO 4 HG1 PRO 4 5.645 14.722 7.955 32 HD2 PRO 4 HD2 PRO 4 5.578 12.081 6.540 33 HD3 PRO 4 HD1 PRO 4 4.857 13.641 6.069 34 H PHE 5 HN PHE 5 8.215 11.455 5.965 35 HA PHE 5 HA PHE 5 10.981 11.081 6.634 36 HB2 PHE 5 HB2 PHE 5 10.447 8.905 6.549 37 HB3 PHE 5 HB1 PHE 5 8.786 9.415 6.245 38 HD1 PHE 5 HD1 PHE 5 11.830 8.021 4.804 39 HD2 PHE 5 HD2 PHE 5 7.941 9.605 3.897 40 HE1 PHE 5 HE1 PHE 5 11.957 7.035 2.533 41 HE2 PHE 5 HE2 PHE 5 8.070 8.618 1.623 42 HZ PHE 5 HZ PHE 5 10.079 7.327 0.945 43 H GLN 6 HN GLN 6 9.164 11.825 3.747 44 HA GLN 6 HA GLN 6 11.128 11.137 1.826 45 HB2 GLN 6 HB2 GLN 6 8.815 11.522 1.180 46 HB3 GLN 6 HB1 GLN 6 8.918 13.203 1.705 47 HG2 GLN 6 HG2 GLN 6 10.184 13.833 -0.109 48 HG3 GLN 6 HG1 GLN 6 10.968 12.261 -0.242 49 HE21 GLN 6 HE21 GLN 6 10.375 11.292 -2.178 50 HE22 GLN 6 HE22 GLN 6 8.820 11.340 -2.856 51 H ILE 7 HN ILE 7 10.388 14.212 3.459 52 HA ILE 7 HA ILE 7 12.444 15.659 2.102 53 HB ILE 7 HB ILE 7 11.942 17.458 3.588 54 HG12 ILE 7 HG12 ILE 7 10.712 15.364 5.381 55 HG13 ILE 7 HG11 ILE 7 12.186 16.256 5.719 56 HG21 ILE 7 HG21 ILE 7 10.094 16.643 2.034 57 HG22 ILE 7 HG22 ILE 7 9.559 17.616 3.402 58 HG23 ILE 7 HG23 ILE 7 9.374 15.864 3.443 59 HD11 ILE 7 HD11 ILE 7 10.461 17.354 6.955 60 HD12 ILE 7 HD12 ILE 7 9.365 17.329 5.575 61 HD13 ILE 7 HD13 ILE 7 10.784 18.377 5.556 62 H LEU 8 HN LEU 8 12.316 13.802 5.107 63 HA LEU 8 HA LEU 8 14.887 14.660 6.036 64 HB2 LEU 8 HB2 LEU 8 12.742 12.916 6.914 65 HB3 LEU 8 HB1 LEU 8 14.314 12.163 7.172 66 HG LEU 8 HG LEU 8 13.585 13.533 9.120 67 HD11 LEU 8 HD11 LEU 8 16.042 13.237 8.321 68 HD12 LEU 8 HD12 LEU 8 15.696 14.479 9.522 69 HD13 LEU 8 HD13 LEU 8 15.930 14.928 7.835 70 HD21 LEU 8 HD21 LEU 8 13.248 15.870 8.973 71 HD22 LEU 8 HD22 LEU 8 12.409 15.237 7.559 72 HD23 LEU 8 HD23 LEU 8 14.000 15.972 7.382 73 H SER 9 HN SER 9 13.736 12.082 3.967 74 HA SER 9 HA SER 9 16.203 10.600 4.008 75 HB2 SER 9 HB2 SER 9 15.186 9.307 2.199 76 HB3 SER 9 HB1 SER 9 14.035 9.530 3.514 77 HG SER 9 HG SER 9 14.052 10.562 0.938 78 H ILE 10 HN ILE 10 14.700 13.018 1.905 79 HA ILE 10 HA ILE 10 16.655 12.896 -0.157 80 HB ILE 10 HB ILE 10 14.700 15.064 0.643 81 HG12 ILE 10 HG12 ILE 10 14.689 13.236 -1.771 82 HG13 ILE 10 HG11 ILE 10 13.904 12.791 -0.257 83 HG21 ILE 10 HG21 ILE 10 15.204 15.897 -1.719 84 HG22 ILE 10 HG22 ILE 10 16.626 14.854 -1.684 85 HG23 ILE 10 HG23 ILE 10 16.473 16.175 -0.526 86 HD11 ILE 10 HD11 ILE 10 12.681 15.040 -0.402 87 HD12 ILE 10 HD12 ILE 10 12.199 13.812 -1.571 88 HD13 ILE 10 HD13 ILE 10 13.264 15.128 -2.065 89 H CYS 11 HN CYS 11 16.319 14.885 2.780 90 HA CYS 11 HA CYS 11 18.509 16.601 2.224 91 HB2 CYS 11 HB2 CYS 11 16.682 17.014 3.906 92 HB3 CYS 11 HB1 CYS 11 17.440 15.798 4.935 93 HG CYS 11 HG CYS 11 18.723 17.798 5.727 94 H SER 12 HN SER 12 18.245 13.721 4.364 95 HA SER 12 HA SER 12 20.946 13.672 5.109 96 HB2 SER 12 HB2 SER 12 18.886 11.468 4.922 97 HB3 SER 12 HB1 SER 12 20.491 11.239 5.611 98 HG SER 12 HG SER 12 20.013 12.740 7.177 99 H PHE 13 HN PHE 13 19.264 12.225 2.356 100 HA PHE 13 HA PHE 13 21.355 10.620 1.399 101 HB2 PHE 13 HB2 PHE 13 18.898 11.838 0.245 102 HB3 PHE 13 HB1 PHE 13 20.118 11.257 -0.884 103 HD1 PHE 13 HD1 PHE 13 19.312 9.913 2.500 104 HD2 PHE 13 HD2 PHE 13 19.136 9.279 -1.744 105 HE1 PHE 13 HE1 PHE 13 18.557 7.579 2.880 106 HE2 PHE 13 HE2 PHE 13 18.384 6.946 -1.365 107 HZ PHE 13 HZ PHE 13 18.095 6.096 0.945 108 H ILE 14 HN ILE 14 20.512 14.008 0.690 109 HA ILE 14 HA ILE 14 22.534 14.469 -1.218 110 HB ILE 14 HB ILE 14 21.074 16.317 0.668 111 HG12 ILE 14 HG12 ILE 14 20.896 16.092 -2.341 112 HG13 ILE 14 HG11 ILE 14 19.915 15.087 -1.275 113 HG21 ILE 14 HG21 ILE 14 23.138 17.433 0.218 114 HG22 ILE 14 HG22 ILE 14 21.971 18.112 -0.916 115 HG23 ILE 14 HG23 ILE 14 23.135 16.909 -1.466 116 HD11 ILE 14 HD11 ILE 14 18.748 17.183 -2.000 117 HD12 ILE 14 HD12 ILE 14 19.992 18.116 -1.167 118 HD13 ILE 14 HD13 ILE 14 18.923 17.054 -0.250 119 H LEU 15 HN LEU 15 22.494 14.893 2.315 120 HA LEU 15 HA LEU 15 25.064 16.030 2.548 121 HB2 LEU 15 HB2 LEU 15 23.193 14.606 4.387 122 HB3 LEU 15 HB1 LEU 15 24.867 14.822 4.903 123 HG LEU 15 HG LEU 15 23.265 17.128 3.799 124 HD11 LEU 15 HD11 LEU 15 22.808 17.731 6.190 125 HD12 LEU 15 HD12 LEU 15 23.418 16.144 6.664 126 HD13 LEU 15 HD13 LEU 15 21.966 16.270 5.672 127 HD21 LEU 15 HD21 LEU 15 25.631 17.530 3.933 128 HD22 LEU 15 HD22 LEU 15 25.728 16.801 5.536 129 HD23 LEU 15 HD23 LEU 15 24.909 18.348 5.319 130 H SER 16 HN SER 16 24.072 12.652 3.163 131 HA SER 16 HA SER 16 26.538 11.531 3.578 132 HB2 SER 16 HB2 SER 16 24.233 10.301 2.047 133 HB3 SER 16 HB1 SER 16 25.577 9.413 2.760 134 HG SER 16 HG SER 16 24.354 9.408 4.472 135 H ALA 17 HN ALA 17 25.005 12.283 0.480 136 HA ALA 17 HA ALA 17 26.901 11.040 -1.198 137 HB1 ALA 17 HB1 ALA 17 25.264 13.516 -1.794 138 HB2 ALA 17 HB2 ALA 17 24.640 11.871 -1.897 139 HB3 ALA 17 HB3 ALA 17 25.944 12.386 -2.967 140 H LEU 18 HN LEU 18 26.635 14.421 -0.074 141 HA LEU 18 HA LEU 18 29.013 15.303 -1.357 142 HB2 LEU 18 HB2 LEU 18 27.078 16.397 0.589 143 HB3 LEU 18 HB1 LEU 18 28.706 17.071 0.676 144 HG LEU 18 HG LEU 18 28.585 17.393 -1.841 145 HD11 LEU 18 HD11 LEU 18 26.804 15.888 -2.418 146 HD12 LEU 18 HD12 LEU 18 26.204 17.519 -2.717 147 HD13 LEU 18 HD13 LEU 18 25.707 16.649 -1.267 148 HD21 LEU 18 HD21 LEU 18 27.057 19.397 -1.635 149 HD22 LEU 18 HD22 LEU 18 28.298 19.302 -0.386 150 HD23 LEU 18 HD23 LEU 18 26.640 18.833 -0.016 151 H HIS 19 HN HIS 19 28.399 13.587 1.582 152 HA HIS 19 HA HIS 19 30.780 14.300 2.978 153 HB2 HIS 19 HB2 HIS 19 28.954 13.365 4.227 154 HB3 HIS 19 HB1 HIS 19 28.917 11.931 3.204 155 HD2 HIS 19 HD2 HIS 19 30.569 9.884 4.072 156 HE1 HIS 19 HE1 HIS 19 32.817 12.110 6.867 157 HE2 HIS 19 HE2 HIS 19 32.402 9.786 5.930 158 H PHE 20 HN PHE 20 29.915 11.146 1.498 159 HA PHE 20 HA PHE 20 32.500 10.127 1.475 160 HB2 PHE 20 HB2 PHE 20 29.945 9.450 0.259 161 HB3 PHE 20 HB1 PHE 20 31.301 9.056 -0.800 162 HD1 PHE 20 HD1 PHE 20 29.902 8.544 2.614 163 HD2 PHE 20 HD2 PHE 20 32.809 7.279 -0.286 164 HE1 PHE 20 HE1 PHE 20 30.418 6.552 3.998 165 HE2 PHE 20 HE2 PHE 20 33.323 5.287 1.099 166 HZ PHE 20 HZ PHE 20 32.129 4.923 3.242 167 H MET 21 HN MET 21 30.954 12.385 -0.710 168 HA MET 21 HA MET 21 32.717 12.161 -2.893 169 HB2 MET 21 HB2 MET 21 30.727 14.092 -1.910 170 HB3 MET 21 HB1 MET 21 32.013 14.805 -2.888 171 HG2 MET 21 HG2 MET 21 30.488 12.333 -3.742 172 HG3 MET 21 HG1 MET 21 29.991 13.965 -4.191 173 HE1 MET 21 HE1 MET 21 30.480 11.635 -5.921 174 HE2 MET 21 HE2 MET 21 32.050 10.953 -5.501 175 HE3 MET 21 HE3 MET 21 31.833 11.752 -7.056 176 H ALA 22 HN ALA 22 32.707 14.704 -0.377 177 HA ALA 22 HA ALA 22 35.249 15.724 -1.055 178 HB1 ALA 22 HB1 ALA 22 34.203 15.905 1.741 179 HB2 ALA 22 HB2 ALA 22 33.321 16.702 0.439 180 HB3 ALA 22 HB3 ALA 22 34.999 17.137 0.762 181 H TRP 23 HN TRP 23 34.238 13.309 1.322 182 HA TRP 23 HA TRP 23 36.683 12.990 2.653 183 HB2 TRP 23 HB2 TRP 23 34.221 11.909 2.943 184 HB3 TRP 23 HB1 TRP 23 35.073 10.548 2.215 185 HD1 TRP 23 HD1 TRP 23 35.177 12.870 5.258 186 HE1 TRP 23 HE1 TRP 23 36.569 11.739 7.109 187 HE3 TRP 23 HE3 TRP 23 36.893 8.792 2.706 188 HZ2 TRP 23 HZ2 TRP 23 38.197 9.413 7.461 189 HZ3 TRP 23 HZ3 TRP 23 38.360 7.136 3.824 190 HH2 TRP 23 HH2 TRP 23 39.014 7.442 6.196 191 H THR 24 HN THR 24 35.359 11.207 -0.132 192 HA THR 24 HA THR 24 37.473 9.462 -0.570 193 HB THR 24 HB THR 24 35.639 10.803 -2.569 194 HG1 THR 24 HG1 THR 24 35.592 8.198 -1.466 195 HG21 THR 24 HG21 THR 24 36.256 8.730 -3.950 196 HG22 THR 24 HG22 THR 24 37.632 8.553 -2.862 197 HG23 THR 24 HG23 THR 24 37.470 10.005 -3.850 198 H ILE 25 HN ILE 25 36.988 12.759 -1.825 199 HA ILE 25 HA ILE 25 39.375 12.864 -3.347 200 HB ILE 25 HB ILE 25 37.723 15.050 -2.065 201 HG12 ILE 25 HG12 ILE 25 37.976 14.229 -4.967 202 HG13 ILE 25 HG11 ILE 25 36.739 13.572 -3.893 203 HG21 ILE 25 HG21 ILE 25 40.005 15.228 -4.058 204 HG22 ILE 25 HG22 ILE 25 40.002 15.875 -2.418 205 HG23 ILE 25 HG23 ILE 25 38.933 16.562 -3.638 206 HD11 ILE 25 HD11 ILE 25 35.864 15.496 -5.163 207 HD12 ILE 25 HD12 ILE 25 37.151 16.512 -4.515 208 HD13 ILE 25 HD13 ILE 25 35.919 15.855 -3.437 209 H GLY 26 HN GLY 26 38.636 13.698 -0.010 210 HA2 GLY 26 HA2 GLY 26 41.081 14.901 0.697 211 HA3 GLY 26 HA1 GLY 26 39.982 14.110 1.822 212 H HIS 27 HN HIS 27 40.016 11.515 1.055 213 HA HIS 27 HA HIS 27 42.406 10.528 2.155 214 HB2 HIS 27 HB2 HIS 27 40.479 9.152 2.321 215 HB3 HIS 27 HB1 HIS 27 40.195 9.215 0.582 216 HD2 HIS 27 HD2 HIS 27 41.221 7.018 -0.714 217 HE1 HIS 27 HE1 HIS 27 44.142 5.931 2.131 218 HE2 HIS 27 HE2 HIS 27 43.072 5.291 -0.081 219 H LEU 28 HN LEU 28 41.331 10.884 -1.201 220 HA LEU 28 HA LEU 28 43.447 9.509 -2.437 221 HB2 LEU 28 HB2 LEU 28 41.436 10.168 -3.659 222 HB3 LEU 28 HB1 LEU 28 41.830 11.870 -3.432 223 HG LEU 28 HG LEU 28 43.933 11.537 -4.708 224 HD11 LEU 28 HD11 LEU 28 44.421 9.230 -4.299 225 HD12 LEU 28 HD12 LEU 28 44.075 9.358 -6.024 226 HD13 LEU 28 HD13 LEU 28 42.854 8.720 -4.924 227 HD21 LEU 28 HD21 LEU 28 41.855 12.243 -5.866 228 HD22 LEU 28 HD22 LEU 28 41.457 10.551 -6.157 229 HD23 LEU 28 HD23 LEU 28 42.881 11.263 -6.914 230 H ASN 29 HN ASN 29 43.096 12.955 -1.603 231 HA ASN 29 HA ASN 29 45.651 13.709 -2.612 232 HB2 ASN 29 HB2 ASN 29 43.771 15.029 -0.649 233 HB3 ASN 29 HB1 ASN 29 45.263 15.773 -1.220 234 HD21 ASN 29 HD21 ASN 29 42.439 16.650 -1.746 235 HD22 ASN 29 HD22 ASN 29 42.277 16.654 -3.435 236 H GLN 30 HN GLN 30 44.468 12.683 0.548 237 HA GLN 30 HA GLN 30 46.768 13.285 2.061 238 HB2 GLN 30 HB2 GLN 30 44.541 11.281 2.402 239 HB3 GLN 30 HB1 GLN 30 45.861 11.407 3.565 240 HG2 GLN 30 HG2 GLN 30 45.321 13.697 4.054 241 HG3 GLN 30 HG1 GLN 30 44.186 13.780 2.711 242 HE21 GLN 30 HE21 GLN 30 44.528 12.923 6.058 243 HE22 GLN 30 HE22 GLN 30 42.954 12.330 6.280 244 H ILE 31 HN ILE 31 45.821 10.370 0.274 245 HA ILE 31 HA ILE 31 48.629 9.472 0.432 246 HB ILE 31 HB ILE 31 46.145 7.775 0.728 247 HG12 ILE 31 HG12 ILE 31 48.514 8.108 2.585 248 HG13 ILE 31 HG11 ILE 31 47.042 9.067 2.732 249 HG21 ILE 31 HG21 ILE 31 49.063 7.024 0.407 250 HG22 ILE 31 HG22 ILE 31 47.729 6.581 -0.658 251 HG23 ILE 31 HG23 ILE 31 47.819 5.908 0.970 252 HD11 ILE 31 HD11 ILE 31 47.040 6.040 2.700 253 HD12 ILE 31 HD12 ILE 31 45.708 7.112 3.133 254 HD13 ILE 31 HD13 ILE 31 47.117 6.986 4.187 255 H LYS 32 HN LYS 32 49.518 9.097 -1.494 256 HA LYS 32 HA LYS 32 47.768 9.048 -3.854 257 HB2 LYS 32 HB2 LYS 32 49.874 9.475 -5.112 258 HB3 LYS 32 HB1 LYS 32 49.531 10.717 -3.909 259 HG2 LYS 32 HG2 LYS 32 51.241 10.021 -2.500 260 HG3 LYS 32 HG1 LYS 32 51.219 8.369 -3.116 261 HD2 LYS 32 HD2 LYS 32 52.256 9.067 -5.194 262 HD3 LYS 32 HD1 LYS 32 52.145 10.763 -4.724 263 HE2 LYS 32 HE2 LYS 32 53.679 10.398 -2.871 264 HE3 LYS 32 HE1 LYS 32 53.716 8.666 -3.200 265 HZ1 LYS 32 HZ1 LYS 32 54.610 9.200 -5.421 266 HZ2 LYS 32 HZ2 LYS 32 55.639 9.678 -4.156 267 HZ3 LYS 32 HZ3 LYS 32 54.699 10.834 -4.971 268 H ARG 33 HN ARG 33 49.173 7.766 -5.714 269 HA ARG 33 HA ARG 33 49.351 5.007 -4.668 270 HB2 ARG 33 HB2 ARG 33 49.126 5.451 -7.584 271 HB3 ARG 33 HB1 ARG 33 48.313 4.271 -6.553 272 HG2 ARG 33 HG2 ARG 33 46.966 6.222 -5.610 273 HG3 ARG 33 HG1 ARG 33 47.616 7.188 -6.935 274 HD2 ARG 33 HD2 ARG 33 45.546 6.363 -7.752 275 HD3 ARG 33 HD1 ARG 33 46.767 5.335 -8.493 276 HE ARG 33 HE ARG 33 45.938 4.157 -6.066 277 HH11 ARG 33 HH11 ARG 33 44.751 4.886 -9.258 278 HH12 ARG 33 HH12 ARG 33 43.647 3.558 -9.283 279 HH21 ARG 33 HH21 ARG 33 44.485 2.425 -6.124 280 HH22 ARG 33 HH22 ARG 33 43.496 2.171 -7.523 281 H1 MET 1 HT1 MET 1 11.798 -1.627 1.071 282 H2 MET 1 HT2 MET 1 10.818 -3.010 1.201 283 H3 MET 1 HT3 MET 1 10.900 -1.901 2.484 284 HA MET 1 HA MET 1 10.066 -0.236 0.662 285 HB2 MET 1 HB2 MET 1 9.961 -2.760 -0.644 286 HB3 MET 1 HB1 MET 1 8.296 -2.286 -0.311 287 HG2 MET 1 HG2 MET 1 8.654 -0.125 -1.386 288 HG3 MET 1 HG1 MET 1 10.358 -0.505 -1.639 289 HE1 MET 1 HE1 MET 1 9.463 0.464 -3.881 290 HE2 MET 1 HE2 MET 1 7.727 0.167 -3.884 291 HE3 MET 1 HE3 MET 1 8.732 -0.511 -5.162 292 H PHE 2 HN PHE 2 7.351 -0.556 0.489 293 HA PHE 2 HA PHE 2 5.401 -0.498 1.700 294 HB2 PHE 2 HB2 PHE 2 6.864 -2.768 2.823 295 HB3 PHE 2 HB1 PHE 2 5.782 -2.006 3.984 296 HD1 PHE 2 HD1 PHE 2 6.034 -3.950 0.912 297 HD2 PHE 2 HD2 PHE 2 3.356 -1.774 3.469 298 HE1 PHE 2 HE1 PHE 2 4.097 -5.043 -0.183 299 HE2 PHE 2 HE2 PHE 2 1.419 -2.867 2.374 300 HZ PHE 2 HZ PHE 2 1.789 -4.503 0.547 301 H GLU 3 HN GLU 3 7.618 -0.972 4.430 302 HA GLU 3 HA GLU 3 6.526 1.341 5.726 303 HB2 GLU 3 HB2 GLU 3 8.738 -0.516 6.546 304 HB3 GLU 3 HB1 GLU 3 8.039 0.732 7.576 305 HG2 GLU 3 HG2 GLU 3 6.517 -1.576 6.326 306 HG3 GLU 3 HG1 GLU 3 7.015 -1.479 8.015 307 HA PRO 4 HA PRO 4 9.543 4.128 3.790 308 HB2 PRO 4 HB2 PRO 4 8.648 5.912 6.004 309 HB3 PRO 4 HB1 PRO 4 8.716 6.223 4.260 310 HG2 PRO 4 HG2 PRO 4 6.404 5.800 5.497 311 HG3 PRO 4 HG1 PRO 4 6.702 5.189 3.859 312 HD2 PRO 4 HD2 PRO 4 6.670 3.689 6.455 313 HD3 PRO 4 HD1 PRO 4 6.142 3.170 4.834 314 H PHE 5 HN PHE 5 9.314 3.505 7.261 315 HA PHE 5 HA PHE 5 11.911 4.573 7.857 316 HB2 PHE 5 HB2 PHE 5 11.246 4.327 9.987 317 HB3 PHE 5 HB1 PHE 5 9.690 3.799 9.345 318 HD1 PHE 5 HD1 PHE 5 12.804 2.776 10.934 319 HD2 PHE 5 HD2 PHE 5 9.227 1.358 9.022 320 HE1 PHE 5 HE1 PHE 5 13.193 0.507 11.859 321 HE2 PHE 5 HE2 PHE 5 9.629 -0.907 9.953 322 HZ PHE 5 HZ PHE 5 11.618 -1.327 11.384 323 H GLN 6 HN GLN 6 10.620 1.472 6.905 324 HA GLN 6 HA GLN 6 12.800 -0.152 7.702 325 HB2 GLN 6 HB2 GLN 6 10.648 -1.128 7.129 326 HB3 GLN 6 HB1 GLN 6 10.790 -0.537 5.471 327 HG2 GLN 6 HG2 GLN 6 12.359 -2.115 4.899 328 HG3 GLN 6 HG1 GLN 6 13.042 -2.182 6.523 329 HE21 GLN 6 HE21 GLN 6 12.687 -4.218 7.399 330 HE22 GLN 6 HE22 GLN 6 11.260 -5.122 7.219 331 H ILE 7 HN ILE 7 12.035 1.451 4.618 332 HA ILE 7 HA ILE 7 14.373 0.475 3.297 333 HB ILE 7 HB ILE 7 13.776 1.928 1.502 334 HG12 ILE 7 HG12 ILE 7 12.141 3.440 3.538 335 HG13 ILE 7 HG11 ILE 7 13.604 4.030 2.769 336 HG21 ILE 7 HG21 ILE 7 12.136 0.084 2.142 337 HG22 ILE 7 HG22 ILE 7 11.468 1.389 1.161 338 HG23 ILE 7 HG23 ILE 7 11.156 1.342 2.894 339 HD11 ILE 7 HD11 ILE 7 11.791 5.027 1.571 340 HD12 ILE 7 HD12 ILE 7 10.922 3.495 1.483 341 HD13 ILE 7 HD13 ILE 7 12.396 3.727 0.543 342 H LEU 8 HN LEU 8 13.648 3.360 5.200 343 HA LEU 8 HA LEU 8 16.104 4.699 4.569 344 HB2 LEU 8 HB2 LEU 8 13.729 5.182 6.163 345 HB3 LEU 8 HB1 LEU 8 15.184 5.649 7.042 346 HG LEU 8 HG LEU 8 14.267 7.511 5.664 347 HD11 LEU 8 HD11 LEU 8 16.790 7.084 6.128 348 HD12 LEU 8 HD12 LEU 8 16.353 8.259 4.892 349 HD13 LEU 8 HD13 LEU 8 16.874 6.642 4.422 350 HD21 LEU 8 HD21 LEU 8 14.128 7.395 3.305 351 HD22 LEU 8 HD22 LEU 8 13.470 5.849 3.839 352 HD23 LEU 8 HD23 LEU 8 15.120 5.939 3.225 353 H SER 9 HN SER 9 15.108 2.383 6.994 354 HA SER 9 HA SER 9 17.425 2.755 8.667 355 HB2 SER 9 HB2 SER 9 16.608 0.771 9.839 356 HB3 SER 9 HB1 SER 9 15.286 1.900 9.553 357 HG SER 9 HG SER 9 15.778 -0.607 8.474 358 H ILE 10 HN ILE 10 16.444 0.537 6.091 359 HA ILE 10 HA ILE 10 18.676 -1.212 6.317 360 HB ILE 10 HB ILE 10 16.782 -0.644 4.028 361 HG12 ILE 10 HG12 ILE 10 17.012 -3.092 5.793 362 HG13 ILE 10 HG11 ILE 10 15.973 -1.731 6.211 363 HG21 ILE 10 HG21 ILE 10 17.703 -2.872 3.181 364 HG22 ILE 10 HG22 ILE 10 19.024 -2.658 4.328 365 HG23 ILE 10 HG23 ILE 10 18.789 -1.490 3.027 366 HD11 ILE 10 HD11 ILE 10 14.951 -1.984 3.873 367 HD12 ILE 10 HD12 ILE 10 14.569 -3.256 5.034 368 HD13 ILE 10 HD13 ILE 10 15.790 -3.535 3.790 369 H CYS 11 HN CYS 11 18.033 1.703 4.374 370 HA CYS 11 HA CYS 11 20.399 1.551 2.817 371 HB2 CYS 11 HB2 CYS 11 18.367 2.947 2.307 372 HB3 CYS 11 HB1 CYS 11 18.867 4.037 3.599 373 HG CYS 11 HG CYS 11 20.156 5.084 1.725 374 H SER 12 HN SER 12 19.603 3.515 5.720 375 HA SER 12 HA SER 12 22.147 4.671 5.988 376 HB2 SER 12 HB2 SER 12 19.989 4.098 8.023 377 HB3 SER 12 HB1 SER 12 21.448 5.014 8.390 378 HG SER 12 HG SER 12 20.846 6.536 6.887 379 H PHE 13 HN PHE 13 20.814 1.644 7.228 380 HA PHE 13 HA PHE 13 22.908 0.965 8.974 381 HB2 PHE 13 HB2 PHE 13 20.751 -0.508 7.549 382 HB3 PHE 13 HB1 PHE 13 22.086 -1.458 8.195 383 HD1 PHE 13 HD1 PHE 13 20.673 1.716 9.552 384 HD2 PHE 13 HD2 PHE 13 21.113 -2.525 10.074 385 HE1 PHE 13 HE1 PHE 13 19.707 1.896 11.830 386 HE2 PHE 13 HE2 PHE 13 20.148 -2.344 12.351 387 HZ PHE 13 HZ PHE 13 19.446 -0.136 13.229 388 H ILE 14 HN ILE 14 22.430 0.254 5.513 389 HA ILE 14 HA ILE 14 24.748 -1.312 5.166 390 HB ILE 14 HB ILE 14 23.148 0.393 3.258 391 HG12 ILE 14 HG12 ILE 14 23.420 -2.615 3.399 392 HG13 ILE 14 HG11 ILE 14 22.218 -1.744 4.352 393 HG21 ILE 14 HG21 ILE 14 25.331 0.300 2.289 394 HG22 ILE 14 HG22 ILE 14 24.402 -0.973 1.498 395 HG23 ILE 14 HG23 ILE 14 25.550 -1.382 2.773 396 HD11 ILE 14 HD11 ILE 14 21.327 -2.567 2.160 397 HD12 ILE 14 HD12 ILE 14 22.490 -1.523 1.341 398 HD13 ILE 14 HD13 ILE 14 21.221 -0.817 2.340 399 H LEU 15 HN LEU 15 24.189 2.184 4.818 400 HA LEU 15 HA LEU 15 26.764 2.850 3.886 401 HB2 LEU 15 HB2 LEU 15 24.538 4.331 5.207 402 HB3 LEU 15 HB1 LEU 15 26.122 5.103 5.131 403 HG LEU 15 HG LEU 15 24.876 3.850 2.685 404 HD11 LEU 15 HD11 LEU 15 24.101 6.161 2.106 405 HD12 LEU 15 HD12 LEU 15 24.518 6.670 3.743 406 HD13 LEU 15 HD13 LEU 15 23.248 5.474 3.489 407 HD21 LEU 15 HD21 LEU 15 27.217 4.355 2.464 408 HD22 LEU 15 HD22 LEU 15 27.013 5.928 3.236 409 HD23 LEU 15 HD23 LEU 15 26.349 5.644 1.628 410 H SER 16 HN SER 16 25.455 3.188 7.194 411 HA SER 16 HA SER 16 27.745 3.937 8.504 412 HB2 SER 16 HB2 SER 16 25.621 2.033 9.524 413 HB3 SER 16 HB1 SER 16 26.773 2.914 10.525 414 HG SER 16 HG SER 16 25.304 4.418 10.475 415 H ALA 17 HN ALA 17 26.767 0.673 7.556 416 HA ALA 17 HA ALA 17 28.804 -0.740 8.910 417 HB1 ALA 17 HB1 ALA 17 27.459 -1.495 6.307 418 HB2 ALA 17 HB2 ALA 17 26.741 -1.747 7.898 419 HB3 ALA 17 HB3 ALA 17 28.229 -2.589 7.457 420 H LEU 18 HN LEU 18 28.609 0.448 5.545 421 HA LEU 18 HA LEU 18 31.211 -0.433 4.815 422 HB2 LEU 18 HB2 LEU 18 29.083 1.235 3.626 423 HB3 LEU 18 HB1 LEU 18 30.721 1.592 3.078 424 HG LEU 18 HG LEU 18 31.012 -0.902 2.688 425 HD11 LEU 18 HD11 LEU 18 29.241 -1.797 4.040 426 HD12 LEU 18 HD12 LEU 18 28.807 -2.123 2.362 427 HD13 LEU 18 HD13 LEU 18 28.035 -0.797 3.230 428 HD21 LEU 18 HD21 LEU 18 29.612 -0.862 0.581 429 HD22 LEU 18 HD22 LEU 18 30.639 0.555 0.796 430 HD23 LEU 18 HD23 LEU 18 28.914 0.655 1.148 431 H HIS 19 HN HIS 19 30.028 2.323 6.538 432 HA HIS 19 HA HIS 19 32.214 4.085 6.053 433 HB2 HIS 19 HB2 HIS 19 30.151 5.005 6.877 434 HB3 HIS 19 HB1 HIS 19 30.175 3.940 8.281 435 HD2 HIS 19 HD2 HIS 19 31.527 4.980 10.462 436 HE1 HIS 19 HE1 HIS 19 33.467 8.159 8.473 437 HE2 HIS 19 HE2 HIS 19 33.041 7.091 10.737 438 H PHE 20 HN PHE 20 31.365 2.384 9.093 439 HA PHE 20 HA PHE 20 33.846 2.720 10.304 440 HB2 PHE 20 HB2 PHE 20 31.467 1.109 10.760 441 HB3 PHE 20 HB1 PHE 20 32.938 0.256 11.229 442 HD1 PHE 20 HD1 PHE 20 30.999 3.397 11.718 443 HD2 PHE 20 HD2 PHE 20 34.221 0.927 13.125 444 HE1 PHE 20 HE1 PHE 20 31.149 4.766 13.782 445 HE2 PHE 20 HE2 PHE 20 34.371 2.297 15.187 446 HZ PHE 20 HZ PHE 20 32.835 4.214 15.520 447 H MET 21 HN MET 21 32.820 0.408 7.883 448 HA MET 21 HA MET 21 34.875 -1.493 8.192 449 HB2 MET 21 HB2 MET 21 32.900 -0.759 6.140 450 HB3 MET 21 HB1 MET 21 34.368 -1.504 5.505 451 HG2 MET 21 HG2 MET 21 32.822 -2.665 7.832 452 HG3 MET 21 HG1 MET 21 32.517 -3.128 6.158 453 HE1 MET 21 HE1 MET 21 33.102 -4.842 8.476 454 HE2 MET 21 HE2 MET 21 34.535 -4.213 9.286 455 HE3 MET 21 HE3 MET 21 34.617 -5.753 8.435 456 H ALA 22 HN ALA 22 34.658 1.079 5.707 457 HA ALA 22 HA ALA 22 37.339 0.828 4.870 458 HB1 ALA 22 HB1 ALA 22 35.890 3.439 4.677 459 HB2 ALA 22 HB2 ALA 22 35.278 2.046 3.785 460 HB3 ALA 22 HB3 ALA 22 36.913 2.635 3.486 461 H TRP 23 HN TRP 23 35.807 2.940 7.257 462 HA TRP 23 HA TRP 23 37.988 4.616 7.791 463 HB2 TRP 23 HB2 TRP 23 35.440 4.491 8.687 464 HB3 TRP 23 HB1 TRP 23 36.294 3.855 10.091 465 HD1 TRP 23 HD1 TRP 23 36.090 6.957 7.857 466 HE1 TRP 23 HE1 TRP 23 37.099 8.958 9.131 467 HE3 TRP 23 HE3 TRP 23 37.892 4.557 11.991 468 HZ2 TRP 23 HZ2 TRP 23 38.485 9.474 11.578 469 HZ3 TRP 23 HZ3 TRP 23 39.050 5.827 13.775 470 HH2 TRP 23 HH2 TRP 23 39.347 8.280 13.576 471 H THR 24 HN THR 24 36.990 1.595 9.391 472 HA THR 24 HA THR 24 39.015 1.433 11.290 473 HB THR 24 HB THR 24 37.610 -0.775 9.772 474 HG1 THR 24 HG1 THR 24 37.210 0.217 12.390 475 HG21 THR 24 HG21 THR 24 38.286 -2.117 11.853 476 HG22 THR 24 HG22 THR 24 39.460 -0.837 12.158 477 HG23 THR 24 HG23 THR 24 39.557 -1.788 10.675 478 H ILE 25 HN ILE 25 38.967 0.238 7.929 479 HA ILE 25 HA ILE 25 41.559 -0.905 7.979 480 HB ILE 25 HB ILE 25 39.889 0.187 5.704 481 HG12 ILE 25 HG12 ILE 25 40.523 -2.669 6.476 482 HG13 ILE 25 HG11 ILE 25 39.094 -1.817 7.061 483 HG21 ILE 25 HG21 ILE 25 42.453 -1.435 5.653 484 HG22 ILE 25 HG22 ILE 25 42.248 0.209 5.046 485 HG23 ILE 25 HG23 ILE 25 41.428 -1.131 4.251 486 HD11 ILE 25 HD11 ILE 25 38.564 -3.141 5.048 487 HD12 ILE 25 HD12 ILE 25 39.805 -2.270 4.148 488 HD13 ILE 25 HD13 ILE 25 38.378 -1.416 4.733 489 H GLY 26 HN GLY 26 40.374 2.306 7.166 490 HA2 GLY 26 HA2 GLY 26 42.758 3.420 6.170 491 HA3 GLY 26 HA1 GLY 26 41.446 4.337 6.901 492 H HIS 27 HN HIS 27 41.416 3.492 9.473 493 HA HIS 27 HA HIS 27 43.530 4.910 10.661 494 HB2 HIS 27 HB2 HIS 27 41.509 4.735 11.892 495 HB3 HIS 27 HB1 HIS 27 41.500 2.976 11.769 496 HD2 HIS 27 HD2 HIS 27 42.559 1.777 14.006 497 HE1 HIS 27 HE1 HIS 27 44.921 4.997 15.375 498 HE2 HIS 27 HE2 HIS 27 44.163 2.627 15.881 499 H LEU 28 HN LEU 28 43.018 1.445 10.136 500 HA LEU 28 HA LEU 28 45.193 0.498 11.649 501 HB2 LEU 28 HB2 LEU 28 43.445 -0.991 10.810 502 HB3 LEU 28 HB1 LEU 28 43.922 -0.647 9.149 503 HG LEU 28 HG LEU 28 46.167 -1.601 9.611 504 HD11 LEU 28 HD11 LEU 28 46.423 -1.202 11.956 505 HD12 LEU 28 HD12 LEU 28 46.353 -2.954 11.764 506 HD13 LEU 28 HD13 LEU 28 44.935 -2.072 12.333 507 HD21 LEU 28 HD21 LEU 28 44.349 -3.038 8.723 508 HD22 LEU 28 HD22 LEU 28 43.878 -3.442 10.375 509 HD23 LEU 28 HD23 LEU 28 45.449 -3.951 9.756 510 H ASN 29 HN ASN 29 44.962 1.384 8.207 511 HA ASN 29 HA ASN 29 47.689 0.806 7.624 512 HB2 ASN 29 HB2 ASN 29 45.626 2.504 6.212 513 HB3 ASN 29 HB1 ASN 29 47.237 2.192 5.568 514 HD21 ASN 29 HD21 ASN 29 44.597 1.274 4.470 515 HD22 ASN 29 HD22 ASN 29 44.697 -0.420 4.415 516 H GLN 30 HN GLN 30 45.962 3.713 8.629 517 HA GLN 30 HA GLN 30 48.037 5.577 8.237 518 HB2 GLN 30 HB2 GLN 30 45.650 5.506 10.074 519 HB3 GLN 30 HB1 GLN 30 46.780 6.860 10.075 520 HG2 GLN 30 HG2 GLN 30 46.334 7.339 7.764 521 HG3 GLN 30 HG1 GLN 30 45.428 5.843 7.565 522 HE21 GLN 30 HE21 GLN 30 45.192 9.171 8.528 523 HE22 GLN 30 HE22 GLN 30 43.564 9.132 9.003 524 H ILE 31 HN ILE 31 47.175 3.567 11.031 525 HA ILE 31 HA ILE 31 49.854 4.119 12.139 526 HB ILE 31 HB ILE 31 47.241 3.976 13.653 527 HG12 ILE 31 HG12 ILE 31 49.315 6.181 13.541 528 HG13 ILE 31 HG11 ILE 31 47.908 6.135 12.478 529 HG21 ILE 31 HG21 ILE 31 50.115 4.079 14.613 530 HG22 ILE 31 HG22 ILE 31 48.934 2.808 14.929 531 HG23 ILE 31 HG23 ILE 31 48.723 4.403 15.645 532 HD11 ILE 31 HD11 ILE 31 47.697 6.001 15.494 533 HD12 ILE 31 HD12 ILE 31 46.394 6.264 14.335 534 HD13 ILE 31 HD13 ILE 31 47.611 7.513 14.591 535 H LYS 32 HN LYS 32 51.003 2.340 12.536 536 HA LYS 32 HA LYS 32 49.640 -0.259 12.399 537 HB2 LYS 32 HB2 LYS 32 51.939 -1.166 12.102 538 HB3 LYS 32 HB1 LYS 32 51.504 0.012 10.866 539 HG2 LYS 32 HG2 LYS 32 52.921 1.641 11.721 540 HG3 LYS 32 HG1 LYS 32 52.878 0.974 13.352 541 HD2 LYS 32 HD2 LYS 32 54.270 -0.897 12.690 542 HD3 LYS 32 HD1 LYS 32 54.208 -0.395 10.999 543 HE2 LYS 32 HE2 LYS 32 55.407 1.660 11.519 544 HE3 LYS 32 HE1 LYS 32 55.373 1.281 13.242 545 HZ1 LYS 32 HZ1 LYS 32 56.635 -0.760 12.722 546 HZ2 LYS 32 HZ2 LYS 32 57.488 0.664 12.354 547 HZ3 LYS 32 HZ3 LYS 32 56.768 -0.243 11.111 548 H ARG 33 HN ARG 33 51.219 -1.926 13.740 549 HA ARG 33 HA ARG 33 51.039 -0.961 16.527 550 HB2 ARG 33 HB2 ARG 33 51.297 -3.860 16.002 551 HB3 ARG 33 HB1 ARG 33 50.254 -3.005 17.139 552 HG2 ARG 33 HG2 ARG 33 48.918 -2.213 15.116 553 HG3 ARG 33 HG1 ARG 33 49.832 -3.390 14.171 554 HD2 ARG 33 HD2 ARG 33 47.859 -4.538 14.820 555 HD3 ARG 33 HD1 ARG 33 49.106 -5.120 15.918 556 HE ARG 33 HE ARG 33 47.832 -2.889 17.089 557 HH11 ARG 33 HH11 ARG 33 47.203 -6.199 16.198 558 HH12 ARG 33 HH12 ARG 33 46.027 -6.438 17.439 559 HH21 ARG 33 HH21 ARG 33 46.287 -3.229 18.704 560 HH22 ARG 33 HH22 ARG 33 45.510 -4.770 18.852 561 H1 MET 1 HT1 MET 1 12.333 -1.484 20.684 562 H2 MET 1 HT2 MET 1 11.210 -1.472 21.959 563 H3 MET 1 HT3 MET 1 11.190 -0.236 20.794 564 HA MET 1 HA MET 1 10.847 -2.235 19.161 565 HB2 MET 1 HB2 MET 1 10.700 -3.441 21.730 566 HB3 MET 1 HB1 MET 1 9.061 -3.416 21.083 567 HG2 MET 1 HG2 MET 1 9.812 -4.497 19.028 568 HG3 MET 1 HG1 MET 1 11.486 -4.441 19.582 569 HE1 MET 1 HE1 MET 1 11.077 -6.838 18.657 570 HE2 MET 1 HE2 MET 1 9.344 -7.124 18.788 571 HE3 MET 1 HE3 MET 1 10.470 -8.187 19.627 572 H PHE 2 HN PHE 2 8.176 -2.856 19.234 573 HA PHE 2 HA PHE 2 6.069 -1.997 18.924 574 HB2 PHE 2 HB2 PHE 2 7.088 -0.554 21.256 575 HB3 PHE 2 HB1 PHE 2 5.911 0.374 20.333 576 HD1 PHE 2 HD1 PHE 2 6.470 -2.535 22.458 577 HD2 PHE 2 HD2 PHE 2 3.642 -0.555 19.904 578 HE1 PHE 2 HE1 PHE 2 4.641 -3.900 23.423 579 HE2 PHE 2 HE2 PHE 2 1.812 -1.921 20.869 580 HZ PHE 2 HZ PHE 2 2.310 -3.593 22.631 581 H GLU 3 HN GLU 3 7.742 1.087 19.455 582 HA GLU 3 HA GLU 3 6.692 2.087 16.982 583 HB2 GLU 3 HB2 GLU 3 8.537 3.346 18.989 584 HB3 GLU 3 HB1 GLU 3 7.806 4.191 17.625 585 HG2 GLU 3 HG2 GLU 3 6.286 2.790 19.847 586 HG3 GLU 3 HG1 GLU 3 6.505 4.534 19.703 587 HA PRO 4 HA PRO 4 10.255 0.591 14.604 588 HB2 PRO 4 HB2 PRO 4 9.191 2.547 12.622 589 HB3 PRO 4 HB1 PRO 4 9.577 0.831 12.429 590 HG2 PRO 4 HG2 PRO 4 7.063 1.670 12.554 591 HG3 PRO 4 HG1 PRO 4 7.565 0.133 13.279 592 HD2 PRO 4 HD2 PRO 4 6.948 2.740 14.622 593 HD3 PRO 4 HD1 PRO 4 6.649 1.074 15.178 594 H PHE 5 HN PHE 5 9.391 3.994 15.008 595 HA PHE 5 HA PHE 5 11.948 4.978 14.154 596 HB2 PHE 5 HB2 PHE 5 10.918 6.972 14.213 597 HB3 PHE 5 HB1 PHE 5 9.444 6.099 14.632 598 HD1 PHE 5 HD1 PHE 5 12.141 8.228 15.848 599 HD2 PHE 5 HD2 PHE 5 8.797 5.806 17.030 600 HE1 PHE 5 HE1 PHE 5 12.157 9.298 18.085 601 HE2 PHE 5 HE2 PHE 5 8.813 6.876 19.268 602 HZ PHE 5 HZ PHE 5 10.493 8.623 19.794 603 H GLN 6 HN GLN 6 10.523 3.951 17.171 604 HA GLN 6 HA GLN 6 12.367 5.161 18.943 605 HB2 GLN 6 HB2 GLN 6 10.253 4.266 19.744 606 HB3 GLN 6 HB1 GLN 6 10.727 2.637 19.261 607 HG2 GLN 6 HG2 GLN 6 12.204 2.402 21.009 608 HG3 GLN 6 HG1 GLN 6 12.594 4.120 21.049 609 HE21 GLN 6 HE21 GLN 6 11.894 5.000 22.991 610 HE22 GLN 6 HE22 GLN 6 10.434 4.613 23.767 611 H ILE 7 HN ILE 7 12.288 1.929 17.458 612 HA ILE 7 HA ILE 7 14.705 1.069 18.711 613 HB ILE 7 HB ILE 7 14.566 -0.858 17.310 614 HG12 ILE 7 HG12 ILE 7 12.780 0.809 15.541 615 HG13 ILE 7 HG11 ILE 7 14.403 0.277 15.136 616 HG21 ILE 7 HG21 ILE 7 12.664 -0.438 18.953 617 HG22 ILE 7 HG22 ILE 7 12.302 -1.566 17.649 618 HG23 ILE 7 HG23 ILE 7 11.704 0.088 17.572 619 HD11 ILE 7 HD11 ILE 7 12.921 -1.250 14.041 620 HD12 ILE 7 HD12 ILE 7 11.928 -1.424 15.487 621 HD13 ILE 7 HD13 ILE 7 13.553 -2.108 15.447 622 H LEU 8 HN LEU 8 13.974 2.706 15.671 623 HA LEU 8 HA LEU 8 16.624 2.456 14.606 624 HB2 LEU 8 HB2 LEU 8 14.079 3.599 13.814 625 HB3 LEU 8 HB1 LEU 8 15.409 4.695 13.437 626 HG LEU 8 HG LEU 8 14.925 3.102 11.580 627 HD11 LEU 8 HD11 LEU 8 17.278 4.018 12.210 628 HD12 LEU 8 HD12 LEU 8 17.177 2.678 11.071 629 HD13 LEU 8 HD13 LEU 8 17.607 2.373 12.753 630 HD21 LEU 8 HD21 LEU 8 15.176 0.766 11.822 631 HD22 LEU 8 HD22 LEU 8 14.295 1.239 13.271 632 HD23 LEU 8 HD23 LEU 8 16.025 0.918 13.360 633 H SER 9 HN SER 9 15.010 4.753 16.682 634 HA SER 9 HA SER 9 17.040 6.785 16.434 635 HB2 SER 9 HB2 SER 9 15.839 7.872 18.259 636 HB3 SER 9 HB1 SER 9 14.707 7.303 17.034 637 HG SER 9 HG SER 9 15.118 6.447 19.637 638 H ILE 10 HN ILE 10 16.277 4.171 18.695 639 HA ILE 10 HA ILE 10 18.256 4.840 20.624 640 HB ILE 10 HB ILE 10 16.836 2.240 20.007 641 HG12 ILE 10 HG12 ILE 10 16.518 4.113 22.365 642 HG13 ILE 10 HG11 ILE 10 15.568 4.293 20.891 643 HG21 ILE 10 HG21 ILE 10 17.651 1.649 22.355 644 HG22 ILE 10 HG22 ILE 10 18.778 2.996 22.202 645 HG23 ILE 10 HG23 ILE 10 18.883 1.630 21.094 646 HD11 ILE 10 HD11 ILE 10 14.927 1.829 21.179 647 HD12 ILE 10 HD12 ILE 10 14.233 2.956 22.343 648 HD13 ILE 10 HD13 ILE 10 15.607 1.951 22.802 649 H CYS 11 HN CYS 11 18.239 2.701 17.780 650 HA CYS 11 HA CYS 11 20.805 1.580 18.229 651 HB2 CYS 11 HB2 CYS 11 19.034 0.678 16.681 652 HB3 CYS 11 HB1 CYS 11 19.425 1.991 15.571 653 HG CYS 11 HG CYS 11 21.102 0.323 14.756 654 H SER 12 HN SER 12 19.739 4.228 16.048 655 HA SER 12 HA SER 12 22.307 4.880 15.117 656 HB2 SER 12 HB2 SER 12 19.795 6.538 15.372 657 HB3 SER 12 HB1 SER 12 21.258 7.113 14.577 658 HG SER 12 HG SER 12 21.068 5.474 13.089 659 H PHE 13 HN PHE 13 20.488 5.994 17.934 660 HA PHE 13 HA PHE 13 22.184 8.093 18.708 661 HB2 PHE 13 HB2 PHE 13 20.155 6.378 20.050 662 HB3 PHE 13 HB1 PHE 13 21.262 7.278 21.083 663 HD1 PHE 13 HD1 PHE 13 19.974 8.252 17.721 664 HD2 PHE 13 HD2 PHE 13 19.886 9.003 21.949 665 HE1 PHE 13 HE1 PHE 13 18.666 10.323 17.326 666 HE2 PHE 13 HE2 PHE 13 18.581 11.073 21.556 667 HZ PHE 13 HZ PHE 13 17.970 11.734 19.244 668 H ILE 14 HN ILE 14 22.215 4.637 19.565 669 HA ILE 14 HA ILE 14 24.392 4.745 21.352 670 HB ILE 14 HB ILE 14 23.311 2.528 19.613 671 HG12 ILE 14 HG12 ILE 14 23.248 2.830 22.621 672 HG13 ILE 14 HG11 ILE 14 22.000 3.531 21.590 673 HG21 ILE 14 HG21 ILE 14 25.603 1.951 19.965 674 HG22 ILE 14 HG22 ILE 14 24.693 1.061 21.187 675 HG23 ILE 14 HG23 ILE 14 25.566 2.528 21.631 676 HD11 ILE 14 HD11 ILE 14 21.408 1.250 22.446 677 HD12 ILE 14 HD12 ILE 14 22.788 0.603 21.561 678 HD13 ILE 14 HD13 ILE 14 21.449 1.343 20.685 679 H LEU 15 HN LEU 15 24.251 4.178 17.851 680 HA LEU 15 HA LEU 15 27.004 3.670 17.474 681 HB2 LEU 15 HB2 LEU 15 24.749 4.531 15.720 682 HB3 LEU 15 HB1 LEU 15 26.394 4.696 15.104 683 HG LEU 15 HG LEU 15 25.451 2.125 16.371 684 HD11 LEU 15 HD11 LEU 15 25.024 1.333 14.031 685 HD12 LEU 15 HD12 LEU 15 25.210 2.996 13.477 686 HD13 LEU 15 HD13 LEU 15 23.886 2.572 14.561 687 HD21 LEU 15 HD21 LEU 15 27.835 2.287 16.102 688 HD22 LEU 15 HD22 LEU 15 27.668 2.951 14.478 689 HD23 LEU 15 HD23 LEU 15 27.255 1.265 14.787 690 H SER 16 HN SER 16 25.200 6.691 16.843 691 HA SER 16 HA SER 16 27.306 8.340 16.231 692 HB2 SER 16 HB2 SER 16 24.861 9.054 17.869 693 HB3 SER 16 HB1 SER 16 25.916 10.205 17.051 694 HG SER 16 HG SER 16 24.635 9.851 15.419 695 H ALA 17 HN ALA 17 26.172 7.373 19.439 696 HA ALA 17 HA ALA 17 27.805 9.104 20.958 697 HB1 ALA 17 HB1 ALA 17 26.843 6.340 21.727 698 HB2 ALA 17 HB2 ALA 17 25.848 7.793 21.823 699 HB3 ALA 17 HB3 ALA 17 27.295 7.647 22.822 700 H LEU 18 HN LEU 18 28.288 5.713 19.951 701 HA LEU 18 HA LEU 18 30.876 5.469 21.104 702 HB2 LEU 18 HB2 LEU 18 29.153 3.871 19.312 703 HB3 LEU 18 HB1 LEU 18 30.889 3.598 19.140 704 HG LEU 18 HG LEU 18 30.987 3.360 21.668 705 HD11 LEU 18 HD11 LEU 18 28.935 4.423 22.319 706 HD12 LEU 18 HD12 LEU 18 28.757 2.710 22.696 707 HD13 LEU 18 HD13 LEU 18 27.987 3.380 21.258 708 HD21 LEU 18 HD21 LEU 18 29.968 1.044 21.614 709 HD22 LEU 18 HD22 LEU 18 31.083 1.378 20.288 710 HD23 LEU 18 HD23 LEU 18 29.343 1.425 20.008 711 H HIS 19 HN HIS 19 29.709 6.862 18.157 712 HA HIS 19 HA HIS 19 32.111 6.685 16.640 713 HB2 HIS 19 HB2 HIS 19 30.050 7.106 15.484 714 HB3 HIS 19 HB1 HIS 19 29.727 8.533 16.466 715 HD2 HIS 19 HD2 HIS 19 30.795 10.872 15.438 716 HE1 HIS 19 HE1 HIS 19 33.355 9.125 12.571 717 HE2 HIS 19 HE2 HIS 19 32.448 11.322 13.468 718 H PHE 20 HN PHE 20 30.604 9.596 18.092 719 HA PHE 20 HA PHE 20 32.867 11.198 17.913 720 HB2 PHE 20 HB2 PHE 20 30.299 11.308 19.272 721 HB3 PHE 20 HB1 PHE 20 31.578 12.054 20.229 722 HD1 PHE 20 HD1 PHE 20 29.913 12.077 16.898 723 HD2 PHE 20 HD2 PHE 20 32.588 14.113 19.574 724 HE1 PHE 20 HE1 PHE 20 29.865 14.076 15.428 725 HE2 PHE 20 HE2 PHE 20 32.539 16.110 18.104 726 HZ PHE 20 HZ PHE 20 31.178 16.096 16.030 727 H MET 21 HN MET 21 32.029 8.735 20.254 728 HA MET 21 HA MET 21 33.805 9.455 22.315 729 HB2 MET 21 HB2 MET 21 32.282 7.072 21.506 730 HB3 MET 21 HB1 MET 21 33.751 6.722 22.420 731 HG2 MET 21 HG2 MET 21 31.731 8.797 23.301 732 HG3 MET 21 HG1 MET 21 31.664 7.114 23.825 733 HE1 MET 21 HE1 MET 21 31.676 9.563 25.462 734 HE2 MET 21 HE2 MET 21 33.009 10.583 24.923 735 HE3 MET 21 HE3 MET 21 33.077 9.819 26.509 736 H ALA 22 HN ALA 22 34.261 6.882 19.875 737 HA ALA 22 HA ALA 22 37.008 6.518 20.416 738 HB1 ALA 22 HB1 ALA 22 35.881 5.979 17.699 739 HB2 ALA 22 HB2 ALA 22 35.287 5.053 19.075 740 HB3 ALA 22 HB3 ALA 22 37.001 5.013 18.658 741 H TRP 23 HN TRP 23 35.323 8.530 18.045 742 HA TRP 23 HA TRP 23 37.544 9.359 16.553 743 HB2 TRP 23 HB2 TRP 23 34.883 9.815 16.388 744 HB3 TRP 23 HB1 TRP 23 35.424 11.368 17.024 745 HD1 TRP 23 HD1 TRP 23 35.908 9.015 14.044 746 HE1 TRP 23 HE1 TRP 23 36.889 10.362 12.080 747 HE3 TRP 23 HE3 TRP 23 36.749 13.481 16.372 748 HZ2 TRP 23 HZ2 TRP 23 37.896 12.989 11.560 749 HZ3 TRP 23 HZ3 TRP 23 37.719 15.388 15.118 750 HH2 TRP 23 HH2 TRP 23 38.293 15.146 12.719 751 H THR 24 HN THR 24 35.992 10.882 19.375 752 HA THR 24 HA THR 24 37.646 13.103 19.621 753 HB THR 24 HB THR 24 36.296 11.453 21.768 754 HG1 THR 24 HG1 THR 24 35.569 13.925 20.603 755 HG21 THR 24 HG21 THR 24 36.477 13.667 23.051 756 HG22 THR 24 HG22 THR 24 37.707 14.120 21.872 757 HG23 THR 24 HG23 THR 24 37.954 12.714 22.907 758 H ILE 25 HN ILE 25 38.033 9.836 20.993 759 HA ILE 25 HA ILE 25 40.454 10.367 22.366 760 HB ILE 25 HB ILE 25 39.302 7.800 21.250 761 HG12 ILE 25 HG12 ILE 25 39.509 8.778 24.106 762 HG13 ILE 25 HG11 ILE 25 38.097 9.079 23.094 763 HG21 ILE 25 HG21 ILE 25 41.665 8.248 23.102 764 HG22 ILE 25 HG22 ILE 25 41.728 7.552 21.483 765 HG23 ILE 25 HG23 ILE 25 40.921 6.683 22.784 766 HD11 ILE 25 HD11 ILE 25 37.774 7.059 24.470 767 HD12 ILE 25 HD12 ILE 25 39.228 6.348 23.772 768 HD13 ILE 25 HD13 ILE 25 37.818 6.650 22.755 769 H GLY 26 HN GLY 26 39.751 9.243 19.111 770 HA2 GLY 26 HA2 GLY 26 42.368 8.622 18.276 771 HA3 GLY 26 HA1 GLY 26 41.052 9.084 17.205 772 H HIS 27 HN HIS 27 40.512 11.644 17.901 773 HA HIS 27 HA HIS 27 42.534 13.119 16.621 774 HB2 HIS 27 HB2 HIS 27 40.329 13.993 16.537 775 HB3 HIS 27 HB1 HIS 27 40.161 13.938 18.292 776 HD2 HIS 27 HD2 HIS 27 40.707 16.366 19.460 777 HE1 HIS 27 HE1 HIS 27 43.125 17.992 16.406 778 HE2 HIS 27 HE2 HIS 27 42.057 18.454 18.663 779 H LEU 28 HN LEU 28 41.766 12.650 20.046 780 HA LEU 28 HA LEU 28 43.554 14.546 21.106 781 HB2 LEU 28 HB2 LEU 28 41.827 13.482 22.471 782 HB3 LEU 28 HB1 LEU 28 42.603 11.914 22.267 783 HG LEU 28 HG LEU 28 44.633 12.787 23.399 784 HD11 LEU 28 HD11 LEU 28 44.537 15.124 22.895 785 HD12 LEU 28 HD12 LEU 28 44.323 14.991 24.642 786 HD13 LEU 28 HD13 LEU 28 42.927 15.275 23.602 787 HD21 LEU 28 HD21 LEU 28 42.850 11.660 24.705 788 HD22 LEU 28 HD22 LEU 28 42.075 13.220 24.972 789 HD23 LEU 28 HD23 LEU 28 43.666 12.899 25.659 790 H ASN 29 HN ASN 29 43.988 11.083 20.395 791 HA ASN 29 HA ASN 29 46.701 10.996 21.258 792 HB2 ASN 29 HB2 ASN 29 45.084 9.189 19.453 793 HB3 ASN 29 HB1 ASN 29 46.739 8.842 19.950 794 HD21 ASN 29 HD21 ASN 29 44.238 7.344 20.676 795 HD22 ASN 29 HD22 ASN 29 44.173 7.372 22.371 796 H GLN 30 HN GLN 30 45.135 11.579 18.151 797 HA GLN 30 HA GLN 30 47.427 11.475 16.514 798 HB2 GLN 30 HB2 GLN 30 44.771 12.881 16.259 799 HB3 GLN 30 HB1 GLN 30 46.018 13.022 15.019 800 HG2 GLN 30 HG2 GLN 30 46.012 10.652 14.629 801 HG3 GLN 30 HG1 GLN 30 45.005 10.358 16.043 802 HE21 GLN 30 HE21 GLN 30 44.949 11.131 12.657 803 HE22 GLN 30 HE22 GLN 30 43.269 11.327 12.520 804 H ILE 31 HN ILE 31 45.911 14.157 18.277 805 HA ILE 31 HA ILE 31 48.412 15.685 17.917 806 HB ILE 31 HB ILE 31 45.583 16.734 17.732 807 HG12 ILE 31 HG12 ILE 31 47.858 16.891 15.738 808 HG13 ILE 31 HG11 ILE 31 46.650 15.606 15.713 809 HG21 ILE 31 HG21 ILE 31 48.251 18.165 17.845 810 HG22 ILE 31 HG22 ILE 31 46.913 18.324 18.981 811 HG23 ILE 31 HG23 ILE 31 46.747 18.932 17.333 812 HD11 ILE 31 HD11 ILE 31 45.929 18.546 15.660 813 HD12 ILE 31 HD12 ILE 31 44.870 17.173 15.340 814 HD13 ILE 31 HD13 ILE 31 46.148 17.584 14.198 815 H LYS 32 HN LYS 32 49.292 16.339 19.770 816 HA LYS 32 HA LYS 32 47.713 16.070 22.234 817 HB2 LYS 32 HB2 LYS 32 49.926 16.206 23.369 818 HB3 LYS 32 HB1 LYS 32 49.823 14.869 22.225 819 HG2 LYS 32 HG2 LYS 32 51.238 15.891 20.690 820 HG3 LYS 32 HG1 LYS 32 50.857 17.514 21.261 821 HD2 LYS 32 HD2 LYS 32 52.143 17.170 23.288 822 HD3 LYS 32 HD1 LYS 32 52.413 15.476 22.874 823 HE2 LYS 32 HE2 LYS 32 53.711 16.115 20.916 824 HE3 LYS 32 HE1 LYS 32 53.353 17.820 21.195 825 HZ1 LYS 32 HZ1 LYS 32 54.470 17.601 23.370 826 HZ2 LYS 32 HZ2 LYS 32 55.512 17.331 22.055 827 HZ3 LYS 32 HZ3 LYS 32 54.921 16.018 22.958 828 H ARG 33 HN ARG 33 48.873 17.726 23.966 829 HA ARG 33 HA ARG 33 48.329 20.401 22.835 830 HB2 ARG 33 HB2 ARG 33 48.376 20.040 25.770 831 HB3 ARG 33 HB1 ARG 33 47.250 20.950 24.761 832 HG2 ARG 33 HG2 ARG 33 46.357 18.698 23.959 833 HG3 ARG 33 HG1 ARG 33 47.290 17.970 25.267 834 HD2 ARG 33 HD2 ARG 33 45.129 18.316 26.188 835 HD3 ARG 33 HD1 ARG 33 46.112 19.633 26.823 836 HE ARG 33 HE ARG 33 44.895 20.482 24.422 837 HH11 ARG 33 HH11 ARG 33 44.092 19.625 27.702 838 HH12 ARG 33 HH12 ARG 33 42.707 20.655 27.761 839 HH21 ARG 33 HH21 ARG 33 43.077 21.823 24.526 840 HH22 ARG 33 HH22 ARG 33 42.133 21.893 25.976 841 H1 MET 1 HT1 MET 1 10.104 17.417 19.943 842 H2 MET 1 HT2 MET 1 8.805 18.514 19.935 843 H3 MET 1 HT3 MET 1 9.054 17.478 18.612 844 HA MET 1 HA MET 1 8.811 15.633 20.436 845 HB2 MET 1 HB2 MET 1 8.187 18.035 21.826 846 HB3 MET 1 HB1 MET 1 6.671 17.162 21.606 847 HG2 MET 1 HG2 MET 1 7.644 15.147 22.579 848 HG3 MET 1 HG1 MET 1 9.213 15.940 22.717 849 HE1 MET 1 HE1 MET 1 8.768 14.746 24.987 850 HE2 MET 1 HE2 MET 1 7.019 14.599 25.128 851 HE3 MET 1 HE3 MET 1 7.922 15.490 26.349 852 H PHE 2 HN PHE 2 6.122 15.265 20.823 853 HA PHE 2 HA PHE 2 4.156 14.736 19.759 854 HB2 PHE 2 HB2 PHE 2 4.917 17.311 18.604 855 HB3 PHE 2 HB1 PHE 2 3.968 16.318 17.504 856 HD1 PHE 2 HD1 PHE 2 3.976 18.226 20.610 857 HD2 PHE 2 HD2 PHE 2 1.724 15.483 18.192 858 HE1 PHE 2 HE1 PHE 2 1.923 18.788 21.882 859 HE2 PHE 2 HE2 PHE 2 -0.330 16.043 19.463 860 HZ PHE 2 HZ PHE 2 -0.230 17.698 21.309 861 H GLU 3 HN GLU 3 5.959 15.783 16.888 862 HA GLU 3 HA GLU 3 5.373 13.286 15.604 863 HB2 GLU 3 HB2 GLU 3 6.984 15.646 14.678 864 HB3 GLU 3 HB1 GLU 3 6.533 14.275 13.665 865 HG2 GLU 3 HG2 GLU 3 4.593 16.116 15.099 866 HG3 GLU 3 HG1 GLU 3 4.963 16.166 13.375 867 HA PRO 4 HA PRO 4 9.132 11.315 17.216 868 HB2 PRO 4 HB2 PRO 4 8.529 9.391 15.020 869 HB3 PRO 4 HB1 PRO 4 8.813 9.086 16.744 870 HG2 PRO 4 HG2 PRO 4 6.376 8.936 15.698 871 HG3 PRO 4 HG1 PRO 4 6.645 9.581 17.327 872 HD2 PRO 4 HD2 PRO 4 6.033 11.058 14.793 873 HD3 PRO 4 HD1 PRO 4 5.526 11.409 16.464 874 H PHE 5 HN PHE 5 8.477 11.906 13.794 875 HA PHE 5 HA PHE 5 11.200 11.525 12.974 876 HB2 PHE 5 HB2 PHE 5 10.326 11.619 10.909 877 HB3 PHE 5 HB1 PHE 5 8.744 11.744 11.680 878 HD1 PHE 5 HD1 PHE 5 11.384 13.515 9.900 879 HD2 PHE 5 HD2 PHE 5 7.723 13.990 12.098 880 HE1 PHE 5 HE1 PHE 5 11.145 15.815 9.006 881 HE2 PHE 5 HE2 PHE 5 7.485 16.292 11.201 882 HZ PHE 5 HZ PHE 5 9.196 17.201 9.646 883 H GLN 6 HN GLN 6 9.260 14.197 14.110 884 HA GLN 6 HA GLN 6 10.901 16.322 13.211 885 HB2 GLN 6 HB2 GLN 6 8.629 16.722 13.976 886 HB3 GLN 6 HB1 GLN 6 9.047 16.165 15.597 887 HG2 GLN 6 HG2 GLN 6 10.219 18.077 16.100 888 HG3 GLN 6 HG1 GLN 6 10.729 18.332 14.433 889 HE21 GLN 6 HE21 GLN 6 9.812 20.228 13.655 890 HE22 GLN 6 HE22 GLN 6 8.226 20.745 13.971 891 H ILE 7 HN ILE 7 10.807 14.545 16.293 892 HA ILE 7 HA ILE 7 12.932 16.054 17.461 893 HB ILE 7 HB ILE 7 12.860 14.478 19.252 894 HG12 ILE 7 HG12 ILE 7 11.490 12.631 17.296 895 HG13 ILE 7 HG11 ILE 7 13.110 12.414 17.936 896 HG21 ILE 7 HG21 ILE 7 10.772 15.869 18.795 897 HG22 ILE 7 HG22 ILE 7 10.522 14.428 19.780 898 HG23 ILE 7 HG23 ILE 7 10.073 14.417 18.078 899 HD11 ILE 7 HD11 ILE 7 11.699 10.983 19.231 900 HD12 ILE 7 HD12 ILE 7 10.490 12.250 19.433 901 HD13 ILE 7 HD13 ILE 7 12.044 12.380 20.253 902 H LEU 8 HN LEU 8 12.792 13.104 15.525 903 HA LEU 8 HA LEU 8 15.545 12.410 15.928 904 HB2 LEU 8 HB2 LEU 8 13.243 11.370 14.500 905 HB3 LEU 8 HB1 LEU 8 14.696 11.288 13.504 906 HG LEU 8 HG LEU 8 14.373 9.244 14.893 907 HD11 LEU 8 HD11 LEU 8 16.668 10.287 14.251 908 HD12 LEU 8 HD12 LEU 8 16.636 9.027 15.479 909 HD13 LEU 8 HD13 LEU 8 16.780 10.717 15.958 910 HD21 LEU 8 HD21 LEU 8 14.389 9.316 17.258 911 HD22 LEU 8 HD22 LEU 8 13.341 10.648 16.815 912 HD23 LEU 8 HD23 LEU 8 15.006 10.960 17.303 913 H SER 9 HN SER 9 13.816 14.432 13.661 914 HA SER 9 HA SER 9 16.012 14.669 11.810 915 HB2 SER 9 HB2 SER 9 14.642 16.404 10.768 916 HB3 SER 9 HB1 SER 9 13.666 14.977 11.112 917 HG SER 9 HG SER 9 13.607 17.513 12.235 918 H ILE 10 HN ILE 10 14.719 16.545 14.519 919 HA ILE 10 HA ILE 10 16.428 18.794 14.187 920 HB ILE 10 HB ILE 10 14.922 17.741 16.591 921 HG12 ILE 10 HG12 ILE 10 14.397 20.193 14.895 922 HG13 ILE 10 HG11 ILE 10 13.696 18.621 14.512 923 HG21 ILE 10 HG21 ILE 10 15.327 20.117 17.440 924 HG22 ILE 10 HG22 ILE 10 16.566 20.252 16.191 925 HG23 ILE 10 HG23 ILE 10 16.728 19.047 17.469 926 HD11 ILE 10 HD11 ILE 10 12.834 18.582 16.925 927 HD12 ILE 10 HD12 ILE 10 12.058 19.735 15.839 928 HD13 ILE 10 HD13 ILE 10 13.267 20.291 16.996 929 H CYS 11 HN CYS 11 16.681 15.788 16.078 930 HA CYS 11 HA CYS 11 19.054 16.502 17.458 931 HB2 CYS 11 HB2 CYS 11 17.476 14.639 18.072 932 HB3 CYS 11 HB1 CYS 11 18.126 13.723 16.713 933 HG CYS 11 HG CYS 11 19.776 13.006 18.456 934 H SER 12 HN SER 12 18.538 14.439 14.561 935 HA SER 12 HA SER 12 21.257 13.955 14.067 936 HB2 SER 12 HB2 SER 12 18.870 13.999 12.219 937 HB3 SER 12 HB1 SER 12 20.475 13.479 11.715 938 HG SER 12 HG SER 12 20.387 11.833 13.202 939 H PHE 13 HN PHE 13 19.121 16.570 13.024 940 HA PHE 13 HA PHE 13 20.836 17.771 11.152 941 HB2 PHE 13 HB2 PHE 13 18.505 18.644 12.782 942 HB3 PHE 13 HB1 PHE 13 19.509 19.904 12.068 943 HD1 PHE 13 HD1 PHE 13 18.822 16.496 10.718 944 HD2 PHE 13 HD2 PHE 13 18.151 20.718 10.305 945 HE1 PHE 13 HE1 PHE 13 17.751 16.110 8.515 946 HE2 PHE 13 HE2 PHE 13 17.082 20.333 8.101 947 HZ PHE 13 HZ PHE 13 16.881 18.029 7.206 948 H ILE 14 HN ILE 14 20.475 18.296 14.656 949 HA ILE 14 HA ILE 14 22.357 20.382 14.884 950 HB ILE 14 HB ILE 14 21.385 18.311 16.852 951 HG12 ILE 14 HG12 ILE 14 20.895 21.294 16.786 952 HG13 ILE 14 HG11 ILE 14 19.872 20.164 15.898 953 HG21 ILE 14 HG21 ILE 14 23.549 18.932 17.655 954 HG22 ILE 14 HG22 ILE 14 22.402 19.925 18.554 955 HG23 ILE 14 HG23 ILE 14 23.306 20.622 17.210 956 HD11 ILE 14 HD11 ILE 14 18.986 20.709 18.178 957 HD12 ILE 14 HD12 ILE 14 20.433 19.976 18.871 958 HD13 ILE 14 HD13 ILE 14 19.301 18.991 17.947 959 H LEU 15 HN LEU 15 22.709 16.855 15.153 960 HA LEU 15 HA LEU 15 25.441 16.845 15.876 961 HB2 LEU 15 HB2 LEU 15 23.550 14.868 14.678 962 HB3 LEU 15 HB1 LEU 15 25.277 14.516 14.615 963 HG LEU 15 HG LEU 15 23.957 15.389 17.183 964 HD11 LEU 15 HD11 LEU 15 23.829 12.948 17.742 965 HD12 LEU 15 HD12 LEU 15 24.223 12.584 16.061 966 HD13 LEU 15 HD13 LEU 15 22.723 13.422 16.453 967 HD21 LEU 15 HD21 LEU 15 26.361 15.481 17.213 968 HD22 LEU 15 HD22 LEU 15 26.491 13.916 16.410 969 HD23 LEU 15 HD23 LEU 15 25.909 14.009 18.072 970 H SER 16 HN SER 16 23.982 16.246 12.669 971 HA SER 16 HA SER 16 26.275 16.094 11.170 972 HB2 SER 16 HB2 SER 16 23.674 17.421 10.368 973 HB3 SER 16 HB1 SER 16 24.926 16.872 9.256 974 HG SER 16 HG SER 16 23.882 15.048 9.362 975 H ALA 17 HN ALA 17 24.602 19.004 12.279 976 HA ALA 17 HA ALA 17 26.115 20.894 10.826 977 HB1 ALA 17 HB1 ALA 17 24.839 21.257 13.548 978 HB2 ALA 17 HB2 ALA 17 23.956 21.342 12.025 979 HB3 ALA 17 HB3 ALA 17 25.218 22.521 12.378 980 H LEU 18 HN LEU 18 26.484 19.654 14.156 981 HA LEU 18 HA LEU 18 28.840 21.141 14.717 982 HB2 LEU 18 HB2 LEU 18 27.293 18.979 16.012 983 HB3 LEU 18 HB1 LEU 18 29.008 19.035 16.422 984 HG LEU 18 HG LEU 18 28.705 21.519 16.869 985 HD11 LEU 18 HD11 LEU 18 26.663 21.962 15.684 986 HD12 LEU 18 HD12 LEU 18 26.301 22.150 17.400 987 HD13 LEU 18 HD13 LEU 18 25.811 20.684 16.553 988 HD21 LEU 18 HD21 LEU 18 27.535 21.104 19.074 989 HD22 LEU 18 HD22 LEU 18 28.860 19.989 18.733 990 HD23 LEU 18 HD23 LEU 18 27.188 19.469 18.511 991 H HIS 19 HN HIS 19 28.238 18.200 12.987 992 HA HIS 19 HA HIS 19 30.830 17.037 13.277 993 HB2 HIS 19 HB2 HIS 19 29.010 15.632 12.584 994 HB3 HIS 19 HB1 HIS 19 28.645 16.682 11.217 995 HD2 HIS 19 HD2 HIS 19 30.030 16.047 8.905 996 HE1 HIS 19 HE1 HIS 19 32.854 13.423 10.625 997 HE2 HIS 19 HE2 HIS 19 31.988 14.384 8.440 998 H PHE 20 HN PHE 20 29.333 18.558 10.376 999 HA PHE 20 HA PHE 20 31.722 18.815 8.966 1000 HB2 PHE 20 HB2 PHE 20 28.996 19.797 8.730 1001 HB3 PHE 20 HB1 PHE 20 30.169 20.990 8.178 1002 HD1 PHE 20 HD1 PHE 20 29.032 17.469 7.746 1003 HD2 PHE 20 HD2 PHE 20 31.419 20.675 6.168 1004 HE1 PHE 20 HE1 PHE 20 29.352 16.196 5.641 1005 HE2 PHE 20 HE2 PHE 20 31.739 19.400 4.064 1006 HZ PHE 20 HZ PHE 20 30.705 17.159 3.799 1007 H MET 21 HN MET 21 30.357 20.773 11.517 1008 HA MET 21 HA MET 21 31.852 23.128 11.120 1009 HB2 MET 21 HB2 MET 21 30.290 21.893 13.287 1010 HB3 MET 21 HB1 MET 21 31.573 22.976 13.836 1011 HG2 MET 21 HG2 MET 21 29.605 23.740 11.668 1012 HG3 MET 21 HG1 MET 21 29.329 24.090 13.375 1013 HE1 MET 21 HE1 MET 21 29.284 25.926 11.071 1014 HE2 MET 21 HE2 MET 21 30.759 25.680 10.141 1015 HE3 MET 21 HE3 MET 21 30.527 27.185 11.026 1016 H ALA 22 HN ALA 22 32.472 20.538 13.515 1017 HA ALA 22 HA ALA 22 35.067 21.438 14.170 1018 HB1 ALA 22 HB1 ALA 22 34.326 18.547 14.385 1019 HB2 ALA 22 HB2 ALA 22 33.462 19.733 15.365 1020 HB3 ALA 22 HB3 ALA 22 35.210 19.565 15.522 1021 H TRP 23 HN TRP 23 33.917 19.045 11.832 1022 HA TRP 23 HA TRP 23 36.397 17.973 11.087 1023 HB2 TRP 23 HB2 TRP 23 33.837 17.469 10.383 1024 HB3 TRP 23 HB1 TRP 23 34.393 18.317 8.942 1025 HD1 TRP 23 HD1 TRP 23 35.140 15.236 11.086 1026 HE1 TRP 23 HE1 TRP 23 36.506 13.565 9.677 1027 HE3 TRP 23 HE3 TRP 23 35.952 18.060 6.910 1028 HZ2 TRP 23 HZ2 TRP 23 37.773 13.441 7.117 1029 HZ3 TRP 23 HZ3 TRP 23 37.239 17.139 5.002 1030 HH2 TRP 23 HH2 TRP 23 38.151 14.837 5.100 1031 H THR 24 HN THR 24 34.557 20.668 9.660 1032 HA THR 24 HA THR 24 36.321 21.358 7.625 1033 HB THR 24 HB THR 24 34.539 23.125 9.316 1034 HG1 THR 24 HG1 THR 24 34.188 22.099 6.703 1035 HG21 THR 24 HG21 THR 24 34.694 24.620 7.236 1036 HG22 THR 24 HG22 THR 24 36.120 23.679 6.802 1037 HG23 THR 24 HG23 THR 24 36.097 24.604 8.304 1038 H ILE 25 HN ILE 25 36.246 22.465 11.013 1039 HA ILE 25 HA ILE 25 38.464 24.214 10.811 1040 HB ILE 25 HB ILE 25 37.302 22.713 13.168 1041 HG12 ILE 25 HG12 ILE 25 37.150 25.647 12.444 1042 HG13 ILE 25 HG11 ILE 25 35.932 24.475 11.938 1043 HG21 ILE 25 HG21 ILE 25 39.387 24.918 13.080 1044 HG22 ILE 25 HG22 ILE 25 39.638 23.268 13.649 1045 HG23 ILE 25 HG23 ILE 25 38.581 24.356 14.542 1046 HD11 ILE 25 HD11 ILE 25 35.254 25.599 14.025 1047 HD12 ILE 25 HD12 ILE 25 36.738 25.053 14.804 1048 HD13 ILE 25 HD13 ILE 25 35.525 23.878 14.297 1049 H GLY 26 HN GLY 26 38.177 20.800 11.604 1050 HA2 GLY 26 HA2 GLY 26 40.834 20.301 12.387 1051 HA3 GLY 26 HA1 GLY 26 39.736 19.096 11.725 1052 H HIS 27 HN HIS 27 39.292 19.939 9.191 1053 HA HIS 27 HA HIS 27 41.591 19.106 7.803 1054 HB2 HIS 27 HB2 HIS 27 39.497 18.787 6.733 1055 HB3 HIS 27 HB1 HIS 27 39.062 20.488 6.914 1056 HD2 HIS 27 HD2 HIS 27 39.608 21.941 4.644 1057 HE1 HIS 27 HE1 HIS 27 42.578 19.431 3.000 1058 HE2 HIS 27 HE2 HIS 27 41.218 21.544 2.629 1059 H LEU 28 HN LEU 28 40.278 22.328 8.471 1060 HA LEU 28 HA LEU 28 42.025 23.805 6.837 1061 HB2 LEU 28 HB2 LEU 28 40.038 24.803 7.848 1062 HB3 LEU 28 HB1 LEU 28 40.716 24.566 9.459 1063 HG LEU 28 HG LEU 28 42.611 26.055 8.865 1064 HD11 LEU 28 HD11 LEU 28 42.770 25.761 6.494 1065 HD12 LEU 28 HD12 LEU 28 42.287 27.439 6.748 1066 HD13 LEU 28 HD13 LEU 28 41.090 26.241 6.256 1067 HD21 LEU 28 HD21 LEU 28 40.569 26.983 9.927 1068 HD22 LEU 28 HD22 LEU 28 39.886 27.278 8.330 1069 HD23 LEU 28 HD23 LEU 28 41.326 28.154 8.848 1070 H ASN 29 HN ASN 29 42.298 22.848 10.256 1071 HA ASN 29 HA ASN 29 44.836 24.080 10.651 1072 HB2 ASN 29 HB2 ASN 29 43.379 21.902 12.156 1073 HB3 ASN 29 HB1 ASN 29 44.909 22.599 12.687 1074 HD21 ASN 29 HD21 ASN 29 42.222 22.816 14.011 1075 HD22 ASN 29 HD22 ASN 29 41.902 24.480 14.113 1076 H GLN 30 HN GLN 30 43.807 20.847 9.685 1077 HA GLN 30 HA GLN 30 46.304 19.554 9.860 1078 HB2 GLN 30 HB2 GLN 30 43.832 19.050 8.208 1079 HB3 GLN 30 HB1 GLN 30 45.260 18.020 8.082 1080 HG2 GLN 30 HG2 GLN 30 45.132 17.418 10.402 1081 HG3 GLN 30 HG1 GLN 30 43.903 18.637 10.715 1082 HE21 GLN 30 HE21 GLN 30 44.419 15.366 9.676 1083 HE22 GLN 30 HE22 GLN 30 42.800 15.006 9.321 1084 H ILE 31 HN ILE 31 44.748 21.321 7.204 1085 HA ILE 31 HA ILE 31 47.383 21.466 5.881 1086 HB ILE 31 HB ILE 31 44.702 20.973 4.574 1087 HG12 ILE 31 HG12 ILE 31 47.259 19.352 4.460 1088 HG13 ILE 31 HG11 ILE 31 45.974 19.034 5.626 1089 HG21 ILE 31 HG21 ILE 31 47.424 21.603 3.399 1090 HG22 ILE 31 HG22 ILE 31 45.943 22.542 3.211 1091 HG23 ILE 31 HG23 ILE 31 46.079 20.951 2.463 1092 HD11 ILE 31 HD11 ILE 31 45.496 19.149 2.638 1093 HD12 ILE 31 HD12 ILE 31 44.394 18.556 3.882 1094 HD13 ILE 31 HD13 ILE 31 45.859 17.652 3.498 1095 H LYS 32 HN LYS 32 48.020 23.480 5.457 1096 HA LYS 32 HA LYS 32 46.072 25.655 5.780 1097 HB2 LYS 32 HB2 LYS 32 48.090 27.104 5.933 1098 HB3 LYS 32 HB1 LYS 32 48.061 25.839 7.160 1099 HG2 LYS 32 HG2 LYS 32 49.765 24.624 6.148 1100 HG3 LYS 32 HG1 LYS 32 49.427 25.282 4.548 1101 HD2 LYS 32 HD2 LYS 32 50.362 27.433 5.168 1102 HD3 LYS 32 HD1 LYS 32 50.562 26.907 6.840 1103 HE2 LYS 32 HE2 LYS 32 52.186 25.224 6.163 1104 HE3 LYS 32 HE1 LYS 32 51.920 25.605 4.462 1105 HZ1 LYS 32 HZ1 LYS 32 52.676 27.888 4.952 1106 HZ2 LYS 32 HZ2 LYS 32 53.882 26.718 5.207 1107 HZ3 LYS 32 HZ3 LYS 32 53.062 27.402 6.529 1108 H ARG 33 HN ARG 33 47.076 27.681 4.380 1109 HA ARG 33 HA ARG 33 46.917 26.737 1.584 1110 HB2 ARG 33 HB2 ARG 33 46.492 29.602 2.181 1111 HB3 ARG 33 HB1 ARG 33 45.604 28.529 1.097 1112 HG2 ARG 33 HG2 ARG 33 44.674 27.404 3.190 1113 HG3 ARG 33 HG1 ARG 33 45.341 28.759 4.099 1114 HD2 ARG 33 HD2 ARG 33 43.099 29.388 3.638 1115 HD3 ARG 33 HD1 ARG 33 44.070 30.276 2.468 1116 HE ARG 33 HE ARG 33 43.297 27.813 1.327 1117 HH11 ARG 33 HH11 ARG 33 41.946 30.852 2.367 1118 HH12 ARG 33 HH12 ARG 33 40.652 30.804 1.226 1119 HH21 ARG 33 HH21 ARG 33 41.593 27.778 -0.156 1120 HH22 ARG 33 HH22 ARG 33 40.448 29.076 -0.195 Start of MODEL 5 1 H1 MET 1 HT1 MET 1 6.708 16.038 -0.816 2 H2 MET 1 HT2 MET 1 5.020 16.105 -0.640 3 H3 MET 1 HT3 MET 1 5.964 15.300 0.518 4 HA MET 1 HA MET 1 7.095 17.515 0.919 5 HB2 MET 1 HB2 MET 1 5.872 19.484 0.276 6 HB3 MET 1 HB1 MET 1 6.088 18.514 -1.179 7 HG2 MET 1 HG2 MET 1 3.800 17.574 -0.852 8 HG3 MET 1 HG1 MET 1 3.590 18.635 0.540 9 HE1 MET 1 HE1 MET 1 3.263 22.066 -0.625 10 HE2 MET 1 HE2 MET 1 4.920 21.513 -0.396 11 HE3 MET 1 HE3 MET 1 3.639 20.897 0.648 12 H PHE 2 HN PHE 2 3.878 16.134 0.959 13 HA PHE 2 HA PHE 2 3.014 17.366 3.381 14 HB2 PHE 2 HB2 PHE 2 2.095 14.892 1.906 15 HB3 PHE 2 HB1 PHE 2 1.310 15.498 3.364 16 HD1 PHE 2 HD1 PHE 2 2.079 16.212 -0.176 17 HD2 PHE 2 HD2 PHE 2 0.005 17.542 3.342 18 HE1 PHE 2 HE1 PHE 2 0.813 17.849 -1.542 19 HE2 PHE 2 HE2 PHE 2 -1.262 19.179 1.976 20 HZ PHE 2 HZ PHE 2 -0.857 19.333 -0.466 21 H GLU 3 HN GLU 3 4.843 14.465 2.608 22 HA GLU 3 HA GLU 3 4.676 13.492 5.334 23 HB2 GLU 3 HB2 GLU 3 6.182 12.425 2.943 24 HB3 GLU 3 HB1 GLU 3 6.039 11.616 4.507 25 HG2 GLU 3 HG2 GLU 3 3.575 11.609 4.271 26 HG3 GLU 3 HG1 GLU 3 3.734 12.381 2.694 27 HA PRO 4 HA PRO 4 8.361 15.858 6.411 28 HB2 PRO 4 HB2 PRO 4 8.780 14.775 8.894 29 HB3 PRO 4 HB1 PRO 4 7.565 16.024 8.561 30 HG2 PRO 4 HG2 PRO 4 7.222 13.078 8.846 31 HG3 PRO 4 HG1 PRO 4 6.202 14.398 9.447 32 HD2 PRO 4 HD2 PRO 4 5.568 12.978 7.219 33 HD3 PRO 4 HD1 PRO 4 5.143 14.695 7.406 34 H PHE 5 HN PHE 5 8.130 12.387 6.389 35 HA PHE 5 HA PHE 5 10.840 11.757 6.909 36 HB2 PHE 5 HB2 PHE 5 9.696 9.809 6.998 37 HB3 PHE 5 HB1 PHE 5 8.472 10.365 5.856 38 HD1 PHE 5 HD1 PHE 5 11.877 8.926 6.168 39 HD2 PHE 5 HD2 PHE 5 8.675 9.963 3.498 40 HE1 PHE 5 HE1 PHE 5 12.981 7.653 4.348 41 HE2 PHE 5 HE2 PHE 5 9.778 8.691 1.680 42 HZ PHE 5 HZ PHE 5 11.931 7.534 2.104 43 H GLN 6 HN GLN 6 9.113 12.686 3.976 44 HA GLN 6 HA GLN 6 11.109 11.949 2.108 45 HB2 GLN 6 HB2 GLN 6 8.759 12.532 1.532 46 HB3 GLN 6 HB1 GLN 6 9.125 14.218 1.899 47 HG2 GLN 6 HG2 GLN 6 10.778 14.320 0.150 48 HG3 GLN 6 HG1 GLN 6 10.664 12.582 -0.127 49 HE21 GLN 6 HE21 GLN 6 10.199 13.911 -2.394 50 HE22 GLN 6 HE22 GLN 6 8.546 14.054 -2.742 51 H ILE 7 HN ILE 7 10.532 14.922 3.892 52 HA ILE 7 HA ILE 7 12.618 16.408 2.608 53 HB ILE 7 HB ILE 7 12.022 18.183 3.918 54 HG12 ILE 7 HG12 ILE 7 11.761 16.198 6.181 55 HG13 ILE 7 HG11 ILE 7 12.947 17.480 6.001 56 HG21 ILE 7 HG21 ILE 7 9.692 18.195 4.309 57 HG22 ILE 7 HG22 ILE 7 9.664 16.481 4.729 58 HG23 ILE 7 HG23 ILE 7 9.911 16.977 3.055 59 HD11 ILE 7 HD11 ILE 7 10.009 17.721 6.645 60 HD12 ILE 7 HD12 ILE 7 10.944 19.097 6.054 61 HD13 ILE 7 HD13 ILE 7 11.385 18.312 7.571 62 H LEU 8 HN LEU 8 12.500 14.309 5.424 63 HA LEU 8 HA LEU 8 15.120 15.031 6.357 64 HB2 LEU 8 HB2 LEU 8 13.397 14.210 7.900 65 HB3 LEU 8 HB1 LEU 8 13.339 12.678 7.032 66 HG LEU 8 HG LEU 8 15.730 12.297 7.575 67 HD11 LEU 8 HD11 LEU 8 15.377 14.951 8.985 68 HD12 LEU 8 HD12 LEU 8 16.607 14.499 7.806 69 HD13 LEU 8 HD13 LEU 8 16.656 13.821 9.432 70 HD21 LEU 8 HD21 LEU 8 13.969 12.919 9.967 71 HD22 LEU 8 HD22 LEU 8 15.387 11.870 9.985 72 HD23 LEU 8 HD23 LEU 8 13.963 11.412 9.049 73 H SER 9 HN SER 9 13.716 12.558 4.312 74 HA SER 9 HA SER 9 16.036 10.888 4.195 75 HB2 SER 9 HB2 SER 9 13.788 10.038 3.653 76 HB3 SER 9 HB1 SER 9 13.717 11.116 2.263 77 HG SER 9 HG SER 9 14.769 8.701 2.401 78 H ILE 10 HN ILE 10 14.692 13.424 2.083 79 HA ILE 10 HA ILE 10 16.742 13.216 0.118 80 HB ILE 10 HB ILE 10 14.406 14.306 -0.082 81 HG12 ILE 10 HG12 ILE 10 15.387 16.056 -1.700 82 HG13 ILE 10 HG11 ILE 10 16.968 15.461 -1.187 83 HG21 ILE 10 HG21 ILE 10 14.225 16.625 0.449 84 HG22 ILE 10 HG22 ILE 10 15.947 16.746 0.819 85 HG23 ILE 10 HG23 ILE 10 14.875 15.846 1.888 86 HD11 ILE 10 HD11 ILE 10 15.992 14.352 -3.267 87 HD12 ILE 10 HD12 ILE 10 14.791 13.622 -2.202 88 HD13 ILE 10 HD13 ILE 10 16.502 13.257 -1.984 89 H CYS 11 HN CYS 11 16.396 15.074 3.115 90 HA CYS 11 HA CYS 11 18.619 16.796 2.641 91 HB2 CYS 11 HB2 CYS 11 16.894 16.085 4.963 92 HB3 CYS 11 HB1 CYS 11 18.446 16.852 5.294 93 HG CYS 11 HG CYS 11 17.674 18.968 4.158 94 H SER 12 HN SER 12 18.242 13.983 4.833 95 HA SER 12 HA SER 12 20.944 13.814 5.549 96 HB2 SER 12 HB2 SER 12 19.177 12.641 6.777 97 HB3 SER 12 HB1 SER 12 18.883 11.604 5.386 98 HG SER 12 HG SER 12 20.820 11.474 7.295 99 H PHE 13 HN PHE 13 19.158 12.274 2.887 100 HA PHE 13 HA PHE 13 21.178 10.584 1.963 101 HB2 PHE 13 HB2 PHE 13 18.954 10.386 1.082 102 HB3 PHE 13 HB1 PHE 13 18.983 12.044 0.484 103 HD1 PHE 13 HD1 PHE 13 20.581 8.698 0.094 104 HD2 PHE 13 HD2 PHE 13 19.906 12.575 -1.628 105 HE1 PHE 13 HE1 PHE 13 21.564 7.919 -2.046 106 HE2 PHE 13 HE2 PHE 13 20.888 11.796 -3.767 107 HZ PHE 13 HZ PHE 13 21.718 9.469 -3.978 108 H ILE 14 HN ILE 14 20.451 13.950 1.018 109 HA ILE 14 HA ILE 14 22.511 14.226 -0.875 110 HB ILE 14 HB ILE 14 21.125 16.236 0.900 111 HG12 ILE 14 HG12 ILE 14 19.952 14.909 -1.002 112 HG13 ILE 14 HG11 ILE 14 19.765 16.662 -0.982 113 HG21 ILE 14 HG21 ILE 14 23.252 16.611 -1.216 114 HG22 ILE 14 HG22 ILE 14 23.180 17.299 0.407 115 HG23 ILE 14 HG23 ILE 14 22.087 17.885 -0.846 116 HD11 ILE 14 HD11 ILE 14 22.002 15.371 -2.545 117 HD12 ILE 14 HD12 ILE 14 21.282 16.966 -2.760 118 HD13 ILE 14 HD13 ILE 14 20.387 15.525 -3.235 119 H LEU 15 HN LEU 15 22.476 14.939 2.601 120 HA LEU 15 HA LEU 15 25.145 15.909 2.738 121 HB2 LEU 15 HB2 LEU 15 23.290 14.770 4.836 122 HB3 LEU 15 HB1 LEU 15 24.881 15.432 5.209 123 HG LEU 15 HG LEU 15 22.774 16.989 3.689 124 HD11 LEU 15 HD11 LEU 15 23.407 17.012 6.657 125 HD12 LEU 15 HD12 LEU 15 21.905 16.451 5.924 126 HD13 LEU 15 HD13 LEU 15 22.345 18.156 5.838 127 HD21 LEU 15 HD21 LEU 15 25.395 17.666 5.048 128 HD22 LEU 15 HD22 LEU 15 24.222 18.899 4.588 129 HD23 LEU 15 HD23 LEU 15 24.970 17.891 3.352 130 H SER 16 HN SER 16 23.755 12.731 2.804 131 HA SER 16 HA SER 16 26.011 11.341 3.885 132 HB2 SER 16 HB2 SER 16 23.787 10.337 3.934 133 HB3 SER 16 HB1 SER 16 23.709 10.363 2.175 134 HG SER 16 HG SER 16 24.749 8.548 2.214 135 H ALA 17 HN ALA 17 24.791 11.866 0.582 136 HA ALA 17 HA ALA 17 26.831 10.445 -0.747 137 HB1 ALA 17 HB1 ALA 17 24.552 11.505 -1.602 138 HB2 ALA 17 HB2 ALA 17 25.909 11.259 -2.701 139 HB3 ALA 17 HB3 ALA 17 25.606 12.857 -2.019 140 H LEU 18 HN LEU 18 26.553 13.845 0.256 141 HA LEU 18 HA LEU 18 28.938 14.732 -0.983 142 HB2 LEU 18 HB2 LEU 18 27.334 15.759 1.356 143 HB3 LEU 18 HB1 LEU 18 28.770 16.584 0.751 144 HG LEU 18 HG LEU 18 26.485 15.824 -1.073 145 HD11 LEU 18 HD11 LEU 18 26.903 18.498 0.292 146 HD12 LEU 18 HD12 LEU 18 25.716 17.306 0.820 147 HD13 LEU 18 HD13 LEU 18 25.574 18.044 -0.775 148 HD21 LEU 18 HD21 LEU 18 28.533 16.359 -2.229 149 HD22 LEU 18 HD22 LEU 18 28.815 17.761 -1.196 150 HD23 LEU 18 HD23 LEU 18 27.489 17.774 -2.359 151 H HIS 19 HN HIS 19 28.270 13.598 2.351 152 HA HIS 19 HA HIS 19 30.777 14.003 3.440 153 HB2 HIS 19 HB2 HIS 19 28.709 13.239 4.648 154 HB3 HIS 19 HB1 HIS 19 28.981 11.629 3.985 155 HD2 HIS 19 HD2 HIS 19 30.501 10.095 5.695 156 HE1 HIS 19 HE1 HIS 19 32.542 13.221 7.667 157 HE2 HIS 19 HE2 HIS 19 32.222 10.704 7.562 158 H PHE 20 HN PHE 20 29.560 11.163 1.684 159 HA PHE 20 HA PHE 20 31.996 9.704 1.851 160 HB2 PHE 20 HB2 PHE 20 29.396 9.351 0.657 161 HB3 PHE 20 HB1 PHE 20 30.659 8.900 -0.488 162 HD1 PHE 20 HD1 PHE 20 29.120 8.149 2.774 163 HD2 PHE 20 HD2 PHE 20 32.244 7.107 0.019 164 HE1 PHE 20 HE1 PHE 20 29.502 6.030 4.009 165 HE2 PHE 20 HE2 PHE 20 32.630 4.988 1.250 166 HZ PHE 20 HZ PHE 20 31.258 4.440 3.246 167 H MET 21 HN MET 21 30.700 12.040 -0.455 168 HA MET 21 HA MET 21 32.567 11.671 -2.524 169 HB2 MET 21 HB2 MET 21 30.500 13.017 -2.740 170 HB3 MET 21 HB1 MET 21 31.199 14.238 -1.676 171 HG2 MET 21 HG2 MET 21 31.531 14.918 -3.996 172 HG3 MET 21 HG1 MET 21 33.091 14.501 -3.288 173 HE1 MET 21 HE1 MET 21 33.166 14.818 -6.046 174 HE2 MET 21 HE2 MET 21 33.654 13.339 -6.871 175 HE3 MET 21 HE3 MET 21 34.506 13.852 -5.417 176 H ALA 22 HN ALA 22 32.620 13.894 0.248 177 HA ALA 22 HA ALA 22 35.095 15.112 -0.356 178 HB1 ALA 22 HB1 ALA 22 33.712 16.226 1.200 179 HB2 ALA 22 HB2 ALA 22 35.084 15.642 2.142 180 HB3 ALA 22 HB3 ALA 22 33.542 14.787 2.205 181 H TRP 23 HN TRP 23 34.255 12.258 1.551 182 HA TRP 23 HA TRP 23 36.879 11.759 2.547 183 HB2 TRP 23 HB2 TRP 23 34.372 10.153 2.239 184 HB3 TRP 23 HB1 TRP 23 35.867 9.393 2.783 185 HD1 TRP 23 HD1 TRP 23 34.039 9.152 4.953 186 HE1 TRP 23 HE1 TRP 23 34.014 10.580 7.083 187 HE3 TRP 23 HE3 TRP 23 36.468 13.391 3.296 188 HZ2 TRP 23 HZ2 TRP 23 34.888 13.111 7.980 189 HZ3 TRP 23 HZ3 TRP 23 36.843 15.271 4.842 190 HH2 TRP 23 HH2 TRP 23 36.057 15.146 7.179 191 H THR 24 HN THR 24 35.147 10.386 -0.250 192 HA THR 24 HA THR 24 37.105 8.650 -1.128 193 HB THR 24 HB THR 24 36.122 9.481 -3.480 194 HG1 THR 24 HG1 THR 24 34.387 10.688 -3.264 195 HG21 THR 24 HG21 THR 24 34.362 7.857 -3.185 196 HG22 THR 24 HG22 THR 24 34.400 8.063 -1.434 197 HG23 THR 24 HG23 THR 24 35.755 7.297 -2.261 198 H ILE 25 HN ILE 25 36.654 12.052 -2.163 199 HA ILE 25 HA ILE 25 39.051 12.157 -3.669 200 HB ILE 25 HB ILE 25 36.922 13.812 -3.426 201 HG12 ILE 25 HG12 ILE 25 38.459 15.502 -4.636 202 HG13 ILE 25 HG11 ILE 25 39.730 14.298 -4.412 203 HG21 ILE 25 HG21 ILE 25 37.825 14.595 -1.186 204 HG22 ILE 25 HG22 ILE 25 37.547 15.870 -2.365 205 HG23 ILE 25 HG23 ILE 25 39.185 15.294 -2.063 206 HD11 ILE 25 HD11 ILE 25 37.060 13.726 -5.727 207 HD12 ILE 25 HD12 ILE 25 38.435 12.630 -5.616 208 HD13 ILE 25 HD13 ILE 25 38.543 14.083 -6.611 209 H GLY 26 HN GLY 26 38.353 12.665 -0.291 210 HA2 GLY 26 HA2 GLY 26 40.693 13.998 0.522 211 HA3 GLY 26 HA1 GLY 26 39.731 12.943 1.552 212 H HIS 27 HN HIS 27 39.984 10.509 0.439 213 HA HIS 27 HA HIS 27 42.575 9.672 1.244 214 HB2 HIS 27 HB2 HIS 27 40.636 8.195 1.424 215 HB3 HIS 27 HB1 HIS 27 40.461 8.185 -0.331 216 HD2 HIS 27 HD2 HIS 27 42.822 6.640 2.410 217 HE1 HIS 27 HE1 HIS 27 43.904 5.015 -1.334 218 HE2 HIS 27 HE2 HIS 27 44.293 4.872 1.171 219 H LEU 28 HN LEU 28 41.127 10.407 -1.863 220 HA LEU 28 HA LEU 28 43.256 9.321 -3.449 221 HB2 LEU 28 HB2 LEU 28 41.022 11.263 -4.056 222 HB3 LEU 28 HB1 LEU 28 42.179 10.707 -5.267 223 HG LEU 28 HG LEU 28 40.623 8.750 -3.576 224 HD11 LEU 28 HD11 LEU 28 39.037 8.592 -5.498 225 HD12 LEU 28 HD12 LEU 28 39.817 9.998 -6.220 226 HD13 LEU 28 HD13 LEU 28 38.963 10.156 -4.685 227 HD21 LEU 28 HD21 LEU 28 42.619 7.974 -4.872 228 HD22 LEU 28 HD22 LEU 28 41.855 8.566 -6.345 229 HD23 LEU 28 HD23 LEU 28 41.120 7.242 -5.441 230 H ASN 29 HN ASN 29 42.670 12.350 -1.833 231 HA ASN 29 HA ASN 29 44.365 14.045 -3.283 232 HB2 ASN 29 HB2 ASN 29 42.807 14.815 -1.521 233 HB3 ASN 29 HB1 ASN 29 43.832 14.059 -0.303 234 HD21 ASN 29 HD21 ASN 29 43.284 16.976 -1.954 235 HD22 ASN 29 HD22 ASN 29 44.765 17.729 -1.610 236 H GLN 30 HN GLN 30 46.441 13.728 -3.737 237 HA GLN 30 HA GLN 30 48.178 12.569 -1.639 238 HB2 GLN 30 HB2 GLN 30 47.853 11.010 -3.528 239 HB3 GLN 30 HB1 GLN 30 48.443 12.246 -4.639 240 HG2 GLN 30 HG2 GLN 30 50.250 10.685 -4.051 241 HG3 GLN 30 HG1 GLN 30 50.598 12.298 -3.430 242 HE21 GLN 30 HE21 GLN 30 51.861 11.622 -1.601 243 HE22 GLN 30 HE22 GLN 30 51.199 10.737 -0.313 244 H ILE 31 HN ILE 31 49.677 13.933 -0.934 245 HA ILE 31 HA ILE 31 50.056 16.530 -1.823 246 HB ILE 31 HB ILE 31 52.270 16.390 -0.611 247 HG12 ILE 31 HG12 ILE 31 51.352 13.571 0.015 248 HG13 ILE 31 HG11 ILE 31 52.571 13.932 -1.209 249 HG21 ILE 31 HG21 ILE 31 50.190 16.989 0.554 250 HG22 ILE 31 HG22 ILE 31 51.206 15.991 1.594 251 HG23 ILE 31 HG23 ILE 31 49.811 15.280 0.781 252 HD11 ILE 31 HD11 ILE 31 52.775 14.842 1.673 253 HD12 ILE 31 HD12 ILE 31 54.027 14.934 0.434 254 HD13 ILE 31 HD13 ILE 31 53.521 13.365 1.061 255 H LYS 32 HN LYS 32 51.411 17.536 -3.246 256 HA LYS 32 HA LYS 32 53.470 16.066 -4.660 257 HB2 LYS 32 HB2 LYS 32 52.519 16.439 -6.890 258 HB3 LYS 32 HB1 LYS 32 51.452 15.424 -5.920 259 HG2 LYS 32 HG2 LYS 32 50.058 17.370 -5.378 260 HG3 LYS 32 HG1 LYS 32 51.140 18.417 -6.299 261 HD2 LYS 32 HD2 LYS 32 50.636 17.143 -8.349 262 HD3 LYS 32 HD1 LYS 32 49.556 16.091 -7.433 263 HE2 LYS 32 HE2 LYS 32 48.131 18.006 -6.869 264 HE3 LYS 32 HE1 LYS 32 49.226 19.093 -7.722 265 HZ1 LYS 32 HZ1 LYS 32 47.697 18.679 -9.341 266 HZ2 LYS 32 HZ2 LYS 32 47.360 17.105 -8.798 267 HZ3 LYS 32 HZ3 LYS 32 48.788 17.421 -9.664 268 H ARG 33 HN ARG 33 54.736 17.452 -6.074 269 HA ARG 33 HA ARG 33 54.277 20.334 -5.804 270 HB2 ARG 33 HB2 ARG 33 56.080 18.966 -4.129 271 HB3 ARG 33 HB1 ARG 33 57.071 19.781 -5.341 272 HG2 ARG 33 HG2 ARG 33 55.800 21.892 -4.882 273 HG3 ARG 33 HG1 ARG 33 54.966 21.057 -3.572 274 HD2 ARG 33 HD2 ARG 33 56.677 21.788 -2.277 275 HD3 ARG 33 HD1 ARG 33 57.590 20.478 -3.019 276 HE ARG 33 HE ARG 33 57.774 22.684 -4.727 277 HH11 ARG 33 HH11 ARG 33 58.697 21.790 -1.484 278 HH12 ARG 33 HH12 ARG 33 60.081 22.824 -1.466 279 HH21 ARG 33 HH21 ARG 33 59.593 24.027 -4.677 280 HH22 ARG 33 HH22 ARG 33 60.589 24.083 -3.260 281 H1 MET 1 HT1 MET 1 9.494 -4.024 1.783 282 H2 MET 1 HT2 MET 1 7.816 -4.134 1.550 283 H3 MET 1 HT3 MET 1 8.468 -2.851 2.451 284 HA MET 1 HA MET 1 9.723 -2.217 0.359 285 HB2 MET 1 HB2 MET 1 8.818 -3.012 -1.724 286 HB3 MET 1 HB1 MET 1 9.184 -4.432 -0.745 287 HG2 MET 1 HG2 MET 1 6.795 -4.513 -0.030 288 HG3 MET 1 HG1 MET 1 6.455 -3.153 -1.100 289 HE1 MET 1 HE1 MET 1 6.657 -4.282 -4.553 290 HE2 MET 1 HE2 MET 1 8.190 -3.788 -3.839 291 HE3 MET 1 HE3 MET 1 6.698 -2.990 -3.346 292 H PHE 2 HN PHE 2 6.427 -2.747 1.418 293 HA PHE 2 HA PHE 2 5.289 -0.476 0.122 294 HB2 PHE 2 HB2 PHE 2 4.400 -2.139 2.486 295 HB3 PHE 2 HB1 PHE 2 3.440 -0.820 1.814 296 HD1 PHE 2 HD1 PHE 2 4.861 -4.166 1.159 297 HD2 PHE 2 HD2 PHE 2 2.360 -1.017 -0.348 298 HE1 PHE 2 HE1 PHE 2 4.006 -5.688 -0.602 299 HE2 PHE 2 HE2 PHE 2 1.505 -2.539 -2.110 300 HZ PHE 2 HZ PHE 2 2.328 -4.875 -2.236 301 H GLU 3 HN GLU 3 6.937 -0.996 3.183 302 HA GLU 3 HA GLU 3 6.219 1.642 4.150 303 HB2 GLU 3 HB2 GLU 3 7.998 -0.486 5.346 304 HB3 GLU 3 HB1 GLU 3 7.517 1.014 6.144 305 HG2 GLU 3 HG2 GLU 3 5.139 0.368 5.909 306 HG3 GLU 3 HG1 GLU 3 5.636 -1.142 5.148 307 HA PRO 4 HA PRO 4 9.877 3.372 2.160 308 HB2 PRO 4 HB2 PRO 4 9.766 5.868 3.295 309 HB3 PRO 4 HB1 PRO 4 8.750 5.363 1.930 310 HG2 PRO 4 HG2 PRO 4 8.083 5.522 4.828 311 HG3 PRO 4 HG1 PRO 4 7.107 5.969 3.418 312 HD2 PRO 4 HD2 PRO 4 6.728 3.637 4.758 313 HD3 PRO 4 HD1 PRO 4 6.443 3.789 3.011 314 H PHE 5 HN PHE 5 9.324 3.238 5.592 315 HA PHE 5 HA PHE 5 11.835 4.190 6.488 316 HB2 PHE 5 HB2 PHE 5 10.512 4.042 8.313 317 HB3 PHE 5 HB1 PHE 5 9.557 2.723 7.635 318 HD1 PHE 5 HD1 PHE 5 12.708 3.570 9.402 319 HD2 PHE 5 HD2 PHE 5 10.118 0.424 8.043 320 HE1 PHE 5 HE1 PHE 5 13.974 1.935 10.771 321 HE2 PHE 5 HE2 PHE 5 11.383 -1.209 9.411 322 HZ PHE 5 HZ PHE 5 13.310 -0.455 10.777 323 H GLN 6 HN GLN 6 10.724 1.029 5.380 324 HA GLN 6 HA GLN 6 12.927 -0.494 6.298 325 HB2 GLN 6 HB2 GLN 6 10.775 -1.444 5.483 326 HB3 GLN 6 HB1 GLN 6 11.231 -0.982 3.844 327 HG2 GLN 6 HG2 GLN 6 13.159 -2.426 3.893 328 HG3 GLN 6 HG1 GLN 6 12.930 -2.757 5.610 329 HE21 GLN 6 HE21 GLN 6 12.984 -5.039 4.230 330 HE22 GLN 6 HE22 GLN 6 11.433 -5.658 3.926 331 H ILE 7 HN ILE 7 12.347 1.245 3.292 332 HA ILE 7 HA ILE 7 14.749 0.349 2.011 333 HB ILE 7 HB ILE 7 14.113 1.576 0.192 334 HG12 ILE 7 HG12 ILE 7 13.286 3.721 2.152 335 HG13 ILE 7 HG11 ILE 7 14.601 3.769 0.989 336 HG21 ILE 7 HG21 ILE 7 11.764 1.570 -0.049 337 HG22 ILE 7 HG22 ILE 7 11.499 1.941 1.656 338 HG23 ILE 7 HG23 ILE 7 12.074 0.343 1.180 339 HD11 ILE 7 HD11 ILE 7 11.631 3.914 0.469 340 HD12 ILE 7 HD12 ILE 7 12.779 3.523 -0.813 341 HD13 ILE 7 HD13 ILE 7 12.879 5.074 0.021 342 H LEU 8 HN LEU 8 13.959 3.058 4.113 343 HA LEU 8 HA LEU 8 16.437 4.433 3.642 344 HB2 LEU 8 HB2 LEU 8 14.410 5.648 4.300 345 HB3 LEU 8 HB1 LEU 8 14.353 4.748 5.813 346 HG LEU 8 HG LEU 8 16.570 5.676 6.431 347 HD11 LEU 8 HD11 LEU 8 16.239 7.067 3.765 348 HD12 LEU 8 HD12 LEU 8 17.601 6.100 4.327 349 HD13 LEU 8 HD13 LEU 8 17.312 7.695 5.017 350 HD21 LEU 8 HD21 LEU 8 14.497 7.750 5.652 351 HD22 LEU 8 HD22 LEU 8 15.783 7.985 6.835 352 HD23 LEU 8 HD23 LEU 8 14.503 6.814 7.147 353 H SER 9 HN SER 9 15.167 2.137 5.966 354 HA SER 9 HA SER 9 17.307 2.367 7.845 355 HB2 SER 9 HB2 SER 9 15.112 1.438 8.468 356 HB3 SER 9 HB1 SER 9 15.379 0.079 7.379 357 HG SER 9 HG SER 9 16.158 0.336 9.888 358 H ILE 10 HN ILE 10 16.586 0.116 5.179 359 HA ILE 10 HA ILE 10 18.910 -1.482 5.575 360 HB ILE 10 HB ILE 10 16.755 -2.048 4.261 361 HG12 ILE 10 HG12 ILE 10 18.161 -3.439 2.607 362 HG13 ILE 10 HG11 ILE 10 19.566 -2.681 3.355 363 HG21 ILE 10 HG21 ILE 10 16.711 -1.503 1.938 364 HG22 ILE 10 HG22 ILE 10 18.348 -0.850 1.987 365 HG23 ILE 10 HG23 ILE 10 17.032 0.008 2.783 366 HD11 ILE 10 HD11 ILE 10 18.857 -4.919 4.352 367 HD12 ILE 10 HD12 ILE 10 17.428 -4.090 4.966 368 HD13 ILE 10 HD13 ILE 10 19.034 -3.593 5.501 369 H CYS 11 HN CYS 11 18.245 1.467 3.714 370 HA CYS 11 HA CYS 11 20.666 1.395 2.209 371 HB2 CYS 11 HB2 CYS 11 18.513 3.380 2.761 372 HB3 CYS 11 HB1 CYS 11 20.054 3.985 2.151 373 HG CYS 11 HG CYS 11 19.690 2.782 -0.038 374 H SER 12 HN SER 12 19.661 3.445 4.980 375 HA SER 12 HA SER 12 22.171 4.586 5.417 376 HB2 SER 12 HB2 SER 12 20.121 5.476 6.420 377 HB3 SER 12 HB1 SER 12 19.967 4.032 7.416 378 HG SER 12 HG SER 12 21.534 6.234 7.746 379 H PHE 13 HN PHE 13 20.719 1.631 6.768 380 HA PHE 13 HA PHE 13 22.697 1.022 8.637 381 HB2 PHE 13 HB2 PHE 13 20.648 -0.224 8.614 382 HB3 PHE 13 HB1 PHE 13 20.936 -0.772 6.963 383 HD1 PHE 13 HD1 PHE 13 22.250 -0.962 10.447 384 HD2 PHE 13 HD2 PHE 13 22.249 -2.687 6.513 385 HE1 PHE 13 HE1 PHE 13 23.502 -2.923 11.305 386 HE2 PHE 13 HE2 PHE 13 23.500 -4.647 7.370 387 HZ PHE 13 HZ PHE 13 24.127 -4.767 9.767 388 H ILE 14 HN ILE 14 22.467 0.041 5.211 389 HA ILE 14 HA ILE 14 24.833 -1.472 5.127 390 HB ILE 14 HB ILE 14 23.364 0.087 3.000 391 HG12 ILE 14 HG12 ILE 14 22.412 -2.013 4.198 392 HG13 ILE 14 HG11 ILE 14 22.390 -1.987 2.436 393 HG21 ILE 14 HG21 ILE 14 25.845 -1.632 2.825 394 HG22 ILE 14 HG22 ILE 14 25.569 -0.030 2.142 395 HG23 ILE 14 HG23 ILE 14 24.762 -1.434 1.446 396 HD11 ILE 14 HD11 ILE 14 24.727 -3.179 3.927 397 HD12 ILE 14 HD12 ILE 14 24.209 -3.474 2.268 398 HD13 ILE 14 HD13 ILE 14 23.275 -4.126 3.614 399 H LEU 15 HN LEU 15 24.281 1.971 4.430 400 HA LEU 15 HA LEU 15 26.968 2.565 3.728 401 HB2 LEU 15 HB2 LEU 15 24.685 4.299 4.692 402 HB3 LEU 15 HB1 LEU 15 26.245 4.949 4.192 403 HG LEU 15 HG LEU 15 24.586 3.131 2.428 404 HD11 LEU 15 HD11 LEU 15 24.705 6.164 2.484 405 HD12 LEU 15 HD12 LEU 15 23.302 5.175 2.888 406 HD13 LEU 15 HD13 LEU 15 23.912 5.202 1.235 407 HD21 LEU 15 HD21 LEU 15 26.992 4.925 2.019 408 HD22 LEU 15 HD22 LEU 15 26.036 4.302 0.673 409 HD23 LEU 15 HD23 LEU 15 26.881 3.186 1.744 410 H SER 16 HN SER 16 25.285 2.344 6.762 411 HA SER 16 HA SER 16 27.188 3.744 8.367 412 HB2 SER 16 HB2 SER 16 24.904 3.396 9.150 413 HB3 SER 16 HB1 SER 16 25.128 1.650 9.106 414 HG SER 16 HG SER 16 25.967 1.824 11.013 415 H ALA 17 HN ALA 17 26.596 0.295 7.716 416 HA ALA 17 HA ALA 17 28.691 -0.705 9.312 417 HB1 ALA 17 HB1 ALA 17 26.701 -1.905 8.030 418 HB2 ALA 17 HB2 ALA 17 28.194 -2.766 8.402 419 HB3 ALA 17 HB3 ALA 17 27.932 -2.111 6.786 420 H LEU 18 HN LEU 18 28.573 0.316 5.905 421 HA LEU 18 HA LEU 18 31.205 -0.490 5.249 422 HB2 LEU 18 HB2 LEU 18 29.335 1.572 4.085 423 HB3 LEU 18 HB1 LEU 18 30.926 1.234 3.400 424 HG LEU 18 HG LEU 18 28.919 -0.963 3.924 425 HD11 LEU 18 HD11 LEU 18 29.354 0.508 1.310 426 HD12 LEU 18 HD12 LEU 18 27.986 0.806 2.382 427 HD13 LEU 18 HD13 LEU 18 28.186 -0.775 1.626 428 HD21 LEU 18 HD21 LEU 18 31.175 -1.748 3.585 429 HD22 LEU 18 HD22 LEU 18 31.409 -0.654 2.222 430 HD23 LEU 18 HD23 LEU 18 30.307 -2.022 2.074 431 H HIS 19 HN HIS 19 29.878 2.664 6.321 432 HA HIS 19 HA HIS 19 32.192 4.164 6.178 433 HB2 HIS 19 HB2 HIS 19 29.886 4.990 6.747 434 HB3 HIS 19 HB1 HIS 19 30.113 4.346 8.371 435 HD2 HIS 19 HD2 HIS 19 31.167 6.254 10.054 436 HE1 HIS 19 HE1 HIS 19 33.135 8.608 7.153 437 HE2 HIS 19 HE2 HIS 19 32.598 8.396 9.626 438 H PHE 20 HN PHE 20 31.022 2.174 8.886 439 HA PHE 20 HA PHE 20 33.249 2.708 10.568 440 HB2 PHE 20 HB2 PHE 20 30.866 1.087 10.664 441 HB3 PHE 20 HB1 PHE 20 32.257 0.163 11.232 442 HD1 PHE 20 HD1 PHE 20 30.123 3.103 11.842 443 HD2 PHE 20 HD2 PHE 20 33.552 0.892 13.178 444 HE1 PHE 20 HE1 PHE 20 30.079 4.341 13.993 445 HE2 PHE 20 HE2 PHE 20 33.514 2.126 15.331 446 HZ PHE 20 HZ PHE 20 31.772 3.860 15.754 447 H MET 21 HN MET 21 32.586 0.268 8.106 448 HA MET 21 HA MET 21 34.731 -1.467 8.642 449 HB2 MET 21 HB2 MET 21 32.869 -1.995 7.096 450 HB3 MET 21 HB1 MET 21 33.493 -0.803 5.958 451 HG2 MET 21 HG2 MET 21 34.276 -3.022 5.303 452 HG3 MET 21 HG1 MET 21 35.647 -2.071 5.871 453 HE1 MET 21 HE1 MET 21 36.216 -4.771 5.552 454 HE2 MET 21 HE2 MET 21 36.697 -5.532 7.068 455 HE3 MET 21 HE3 MET 21 37.333 -3.945 6.646 456 H ALA 22 HN ALA 22 34.532 1.329 6.447 457 HA ALA 22 HA ALA 22 37.176 1.168 5.477 458 HB1 ALA 22 HB1 ALA 22 35.665 2.495 4.242 459 HB2 ALA 22 HB2 ALA 22 36.795 3.639 4.965 460 HB3 ALA 22 HB3 ALA 22 35.190 3.425 5.665 461 H TRP 23 HN TRP 23 35.758 2.848 8.243 462 HA TRP 23 HA TRP 23 38.115 4.256 9.003 463 HB2 TRP 23 HB2 TRP 23 35.556 3.494 10.354 464 HB3 TRP 23 HB1 TRP 23 36.856 4.266 11.261 465 HD1 TRP 23 HD1 TRP 23 34.672 6.090 11.332 466 HE1 TRP 23 HE1 TRP 23 34.424 8.218 9.919 467 HE3 TRP 23 HE3 TRP 23 37.742 4.959 7.342 468 HZ2 TRP 23 HZ2 TRP 23 35.373 9.301 7.497 469 HZ3 TRP 23 HZ3 TRP 23 38.027 6.589 5.517 470 HH2 TRP 23 HH2 TRP 23 36.850 8.756 5.578 471 H THR 24 HN THR 24 36.757 1.182 10.195 472 HA THR 24 HA THR 24 38.663 0.604 12.101 473 HB THR 24 HB THR 24 38.176 -1.862 11.166 474 HG1 THR 24 HG1 THR 24 36.552 -1.912 9.796 475 HG21 THR 24 HG21 THR 24 36.243 -1.901 12.609 476 HG22 THR 24 HG22 THR 24 36.004 -0.165 12.417 477 HG23 THR 24 HG23 THR 24 37.400 -0.768 13.309 478 H ILE 25 HN ILE 25 38.716 -0.421 8.669 479 HA ILE 25 HA ILE 25 41.332 -1.499 8.787 480 HB ILE 25 HB ILE 25 39.363 -1.580 6.932 481 HG12 ILE 25 HG12 ILE 25 41.238 -2.475 5.394 482 HG13 ILE 25 HG11 ILE 25 42.330 -2.069 6.720 483 HG21 ILE 25 HG21 ILE 25 39.944 0.796 6.254 484 HG22 ILE 25 HG22 ILE 25 39.992 -0.382 4.950 485 HG23 ILE 25 HG23 ILE 25 41.492 0.176 5.687 486 HD11 ILE 25 HD11 ILE 25 39.879 -3.826 7.016 487 HD12 ILE 25 HD12 ILE 25 41.105 -3.512 8.243 488 HD13 ILE 25 HD13 ILE 25 41.518 -4.440 6.802 489 H GLY 26 HN GLY 26 40.128 1.732 8.235 490 HA2 GLY 26 HA2 GLY 26 42.416 2.947 7.138 491 HA3 GLY 26 HA1 GLY 26 41.198 3.780 8.099 492 H HIS 27 HN HIS 27 41.399 2.674 10.538 493 HA HIS 27 HA HIS 27 43.724 3.881 11.630 494 HB2 HIS 27 HB2 HIS 27 41.652 3.702 12.911 495 HB3 HIS 27 HB1 HIS 27 41.775 1.942 12.893 496 HD2 HIS 27 HD2 HIS 27 43.482 5.003 14.678 497 HE1 HIS 27 HE1 HIS 27 45.020 1.459 16.381 498 HE2 HIS 27 HE2 HIS 27 44.964 3.991 16.575 499 H LEU 28 HN LEU 28 42.898 0.590 10.747 500 HA LEU 28 HA LEU 28 45.155 -0.637 12.019 501 HB2 LEU 28 HB2 LEU 28 43.248 -1.568 9.867 502 HB3 LEU 28 HB1 LEU 28 44.534 -2.581 10.526 503 HG LEU 28 HG LEU 28 42.536 -1.215 12.331 504 HD11 LEU 28 HD11 LEU 28 41.288 -3.380 12.323 505 HD12 LEU 28 HD12 LEU 28 42.311 -3.932 10.997 506 HD13 LEU 28 HD13 LEU 28 41.229 -2.559 10.763 507 HD21 LEU 28 HD21 LEU 28 44.639 -2.176 13.291 508 HD22 LEU 28 HD22 LEU 28 44.194 -3.743 12.621 509 HD23 LEU 28 HD23 LEU 28 43.195 -3.003 13.871 510 H ASN 29 HN ASN 29 44.593 0.925 8.957 511 HA ASN 29 HA ASN 29 46.664 -0.186 7.430 512 HB2 ASN 29 HB2 ASN 29 44.911 1.306 6.519 513 HB3 ASN 29 HB1 ASN 29 45.637 2.663 7.378 514 HD21 ASN 29 HD21 ASN 29 45.657 1.007 4.414 515 HD22 ASN 29 HD22 ASN 29 47.124 1.611 3.810 516 H GLN 30 HN GLN 30 48.747 -0.291 7.944 517 HA GLN 30 HA GLN 30 49.985 2.043 9.277 518 HB2 GLN 30 HB2 GLN 30 49.836 0.094 10.789 519 HB3 GLN 30 HB1 GLN 30 50.719 -0.877 9.611 520 HG2 GLN 30 HG2 GLN 30 52.244 -0.029 11.344 521 HG3 GLN 30 HG1 GLN 30 52.636 0.676 9.776 522 HE21 GLN 30 HE21 GLN 30 53.501 2.676 10.581 523 HE22 GLN 30 HE22 GLN 30 52.549 3.814 11.404 524 H ILE 31 HN ILE 31 51.465 3.018 8.070 525 HA ILE 31 HA ILE 31 52.236 2.263 5.519 526 HB ILE 31 HB ILE 31 54.189 3.826 5.881 527 HG12 ILE 31 HG12 ILE 31 52.916 4.227 8.600 528 HG13 ILE 31 HG11 ILE 31 54.351 3.233 8.354 529 HG21 ILE 31 HG21 ILE 31 52.008 4.636 5.089 530 HG22 ILE 31 HG22 ILE 31 52.734 5.811 6.185 531 HG23 ILE 31 HG23 ILE 31 51.436 4.760 6.753 532 HD11 ILE 31 HD11 ILE 31 54.151 6.126 7.482 533 HD12 ILE 31 HD12 ILE 31 55.597 5.117 7.506 534 HD13 ILE 31 HD13 ILE 31 54.847 5.616 9.021 535 H LYS 32 HN LYS 32 53.902 1.108 4.643 536 HA LYS 32 HA LYS 32 56.019 0.029 6.299 537 HB2 LYS 32 HB2 LYS 32 55.499 -2.322 5.823 538 HB3 LYS 32 HB1 LYS 32 54.192 -1.567 6.735 539 HG2 LYS 32 HG2 LYS 32 52.918 -1.222 4.664 540 HG3 LYS 32 HG1 LYS 32 54.234 -1.924 3.722 541 HD2 LYS 32 HD2 LYS 32 53.966 -4.058 4.929 542 HD3 LYS 32 HD1 LYS 32 52.651 -3.361 5.875 543 HE2 LYS 32 HE2 LYS 32 51.342 -3.001 3.834 544 HE3 LYS 32 HE1 LYS 32 52.663 -3.636 2.855 545 HZ1 LYS 32 HZ1 LYS 32 51.398 -5.497 3.108 546 HZ2 LYS 32 HZ2 LYS 32 50.825 -5.053 4.645 547 HZ3 LYS 32 HZ3 LYS 32 52.402 -5.659 4.465 548 H ARG 33 HN ARG 33 57.633 -1.122 5.034 549 HA ARG 33 HA ARG 33 57.412 -0.870 2.124 550 HB2 ARG 33 HB2 ARG 33 58.768 1.053 3.670 551 HB3 ARG 33 HB1 ARG 33 60.021 0.041 2.948 552 HG2 ARG 33 HG2 ARG 33 58.898 0.328 0.727 553 HG3 ARG 33 HG1 ARG 33 57.778 1.461 1.483 554 HD2 ARG 33 HD2 ARG 33 59.308 3.039 0.930 555 HD3 ARG 33 HD1 ARG 33 60.205 2.435 2.319 556 HE ARG 33 HE ARG 33 60.884 0.827 0.133 557 HH11 ARG 33 HH11 ARG 33 61.156 4.158 1.130 558 HH12 ARG 33 HH12 ARG 33 62.611 4.431 0.236 559 HH21 ARG 33 HH21 ARG 33 62.788 1.212 -1.026 560 HH22 ARG 33 HH22 ARG 33 63.531 2.777 -0.978 561 H1 MET 1 HT1 MET 1 9.617 -0.907 22.149 562 H2 MET 1 HT2 MET 1 7.993 -1.400 22.100 563 H3 MET 1 HT3 MET 1 8.616 -0.398 20.879 564 HA MET 1 HA MET 1 10.235 -2.264 20.381 565 HB2 MET 1 HB2 MET 1 9.596 -4.469 21.101 566 HB3 MET 1 HB1 MET 1 9.668 -3.458 22.542 567 HG2 MET 1 HG2 MET 1 7.199 -3.125 22.392 568 HG3 MET 1 HG1 MET 1 7.162 -4.223 21.014 569 HE1 MET 1 HE1 MET 1 7.793 -7.611 22.181 570 HE2 MET 1 HE2 MET 1 9.237 -6.662 21.832 571 HE3 MET 1 HE3 MET 1 7.770 -6.402 20.889 572 H PHE 2 HN PHE 2 6.779 -1.737 20.590 573 HA PHE 2 HA PHE 2 6.079 -3.177 18.230 574 HB2 PHE 2 HB2 PHE 2 4.678 -0.994 19.785 575 HB3 PHE 2 HB1 PHE 2 3.963 -1.796 18.385 576 HD1 PHE 2 HD1 PHE 2 5.148 -2.248 21.855 577 HD2 PHE 2 HD2 PHE 2 3.220 -4.102 18.494 578 HE1 PHE 2 HE1 PHE 2 4.438 -4.133 23.301 579 HE2 PHE 2 HE2 PHE 2 2.510 -5.987 19.940 580 HZ PHE 2 HZ PHE 2 3.119 -6.003 22.345 581 H GLU 3 HN GLU 3 7.171 0.099 18.883 582 HA GLU 3 HA GLU 3 6.563 0.965 16.183 583 HB2 GLU 3 HB2 GLU 3 7.924 2.407 18.461 584 HB3 GLU 3 HB1 GLU 3 7.470 3.133 16.918 585 HG2 GLU 3 HG2 GLU 3 5.106 2.523 17.334 586 HG3 GLU 3 HG1 GLU 3 5.569 1.838 18.891 587 HA PRO 4 HA PRO 4 10.636 -0.415 14.819 588 HB2 PRO 4 HB2 PRO 4 10.585 0.708 12.317 589 HB3 PRO 4 HB1 PRO 4 9.751 -0.802 12.734 590 HG2 PRO 4 HG2 PRO 4 8.659 1.958 12.492 591 HG3 PRO 4 HG1 PRO 4 7.962 0.416 11.964 592 HD2 PRO 4 HD2 PRO 4 7.159 1.661 14.240 593 HD3 PRO 4 HD1 PRO 4 7.166 -0.109 14.075 594 H PHE 5 HN PHE 5 9.544 2.888 14.880 595 HA PHE 5 HA PHE 5 11.963 4.172 14.166 596 HB2 PHE 5 HB2 PHE 5 10.362 5.768 14.174 597 HB3 PHE 5 HB1 PHE 5 9.406 4.937 15.402 598 HD1 PHE 5 HD1 PHE 5 12.307 7.182 14.844 599 HD2 PHE 5 HD2 PHE 5 9.677 5.412 17.739 600 HE1 PHE 5 HE1 PHE 5 13.177 8.729 16.576 601 HE2 PHE 5 HE2 PHE 5 10.543 6.957 19.474 602 HZ PHE 5 HZ PHE 5 12.287 8.630 18.893 603 H GLN 6 HN GLN 6 10.743 2.881 17.212 604 HA GLN 6 HA GLN 6 12.622 4.116 18.930 605 HB2 GLN 6 HB2 GLN 6 10.542 2.969 19.677 606 HB3 GLN 6 HB1 GLN 6 11.291 1.425 19.274 607 HG2 GLN 6 HG2 GLN 6 13.040 1.764 20.894 608 HG3 GLN 6 HG1 GLN 6 12.516 3.421 21.189 609 HE21 GLN 6 HE21 GLN 6 12.568 2.047 23.476 610 HE22 GLN 6 HE22 GLN 6 11.031 1.500 23.945 611 H ILE 7 HN ILE 7 12.683 1.072 17.170 612 HA ILE 7 HA ILE 7 15.162 0.174 18.292 613 HB ILE 7 HB ILE 7 14.937 -1.711 17.023 614 HG12 ILE 7 HG12 ILE 7 14.023 0.115 14.794 615 HG13 ILE 7 HG11 ILE 7 15.501 -0.828 14.880 616 HG21 ILE 7 HG21 ILE 7 12.663 -2.314 16.805 617 HG22 ILE 7 HG22 ILE 7 12.174 -0.668 16.397 618 HG23 ILE 7 HG23 ILE 7 12.659 -1.062 18.045 619 HD11 ILE 7 HD11 ILE 7 12.678 -1.806 14.456 620 HD12 ILE 7 HD12 ILE 7 13.971 -2.895 14.964 621 HD13 ILE 7 HD13 ILE 7 14.085 -2.044 13.424 622 H LEU 8 HN LEU 8 14.315 2.148 15.506 623 HA LEU 8 HA LEU 8 16.955 2.083 14.377 624 HB2 LEU 8 HB2 LEU 8 14.973 2.427 12.971 625 HB3 LEU 8 HB1 LEU 8 14.596 3.907 13.851 626 HG LEU 8 HG LEU 8 16.767 4.869 13.133 627 HD11 LEU 8 HD11 LEU 8 16.991 2.193 11.737 628 HD12 LEU 8 HD12 LEU 8 18.151 2.954 12.824 629 HD13 LEU 8 HD13 LEU 8 17.908 3.604 11.204 630 HD21 LEU 8 HD21 LEU 8 15.048 3.794 10.876 631 HD22 LEU 8 HD22 LEU 8 16.151 5.165 10.758 632 HD23 LEU 8 HD23 LEU 8 14.731 5.261 11.800 633 H SER 9 HN SER 9 15.126 4.160 16.525 634 HA SER 9 HA SER 9 16.956 6.355 16.487 635 HB2 SER 9 HB2 SER 9 14.612 6.620 17.200 636 HB3 SER 9 HB1 SER 9 14.916 5.576 18.583 637 HG SER 9 HG SER 9 15.317 8.176 18.386 638 H ILE 10 HN ILE 10 16.450 3.592 18.680 639 HA ILE 10 HA ILE 10 18.523 4.332 20.486 640 HB ILE 10 HB ILE 10 16.555 2.693 20.854 641 HG12 ILE 10 HG12 ILE 10 18.065 1.268 22.384 642 HG13 ILE 10 HG11 ILE 10 19.401 2.233 21.758 643 HG21 ILE 10 HG21 ILE 10 16.926 0.397 20.323 644 HG22 ILE 10 HG22 ILE 10 18.590 0.705 19.829 645 HG23 ILE 10 HG23 ILE 10 17.254 1.294 18.844 646 HD11 ILE 10 HD11 ILE 10 18.332 3.086 23.912 647 HD12 ILE 10 HD12 ILE 10 16.912 3.478 22.944 648 HD13 ILE 10 HD13 ILE 10 18.455 4.260 22.603 649 H CYS 11 HN CYS 11 18.437 2.411 17.504 650 HA CYS 11 HA CYS 11 21.048 1.305 17.813 651 HB2 CYS 11 HB2 CYS 11 19.034 1.529 15.627 652 HB3 CYS 11 HB1 CYS 11 20.703 1.172 15.177 653 HG CYS 11 HG CYS 11 20.573 -1.056 16.357 654 H SER 12 HN SER 12 19.820 3.900 15.661 655 HA SER 12 HA SER 12 22.330 4.735 14.757 656 HB2 SER 12 HB2 SER 12 20.239 5.411 13.669 657 HB3 SER 12 HB1 SER 12 19.797 6.360 15.085 658 HG SER 12 HG SER 12 21.494 6.947 13.037 659 H PHE 13 HN PHE 13 20.409 5.818 17.551 660 HA PHE 13 HA PHE 13 22.004 7.969 18.333 661 HB2 PHE 13 HB2 PHE 13 19.876 7.614 19.378 662 HB3 PHE 13 HB1 PHE 13 20.362 6.024 19.962 663 HD1 PHE 13 HD1 PHE 13 21.092 9.669 20.253 664 HD2 PHE 13 HD2 PHE 13 21.541 5.770 21.997 665 HE1 PHE 13 HE1 PHE 13 22.004 10.697 22.318 666 HE2 PHE 13 HE2 PHE 13 22.451 6.796 24.062 667 HZ PHE 13 HZ PHE 13 22.681 9.260 24.224 668 H ILE 14 HN ILE 14 22.219 4.543 19.312 669 HA ILE 14 HA ILE 14 24.416 4.815 21.042 670 HB ILE 14 HB ILE 14 23.454 2.497 19.366 671 HG12 ILE 14 HG12 ILE 14 22.130 3.515 21.359 672 HG13 ILE 14 HG11 ILE 14 22.385 1.771 21.340 673 HG21 ILE 14 HG21 ILE 14 25.755 2.699 21.315 674 HG22 ILE 14 HG22 ILE 14 25.744 1.997 19.699 675 HG23 ILE 14 HG23 ILE 14 24.927 1.168 21.023 676 HD11 ILE 14 HD11 ILE 14 24.339 3.598 22.741 677 HD12 ILE 14 HD12 ILE 14 24.060 1.876 22.997 678 HD13 ILE 14 HD13 ILE 14 22.869 3.053 23.548 679 H LEU 15 HN LEU 15 24.308 4.069 17.570 680 HA LEU 15 HA LEU 15 27.117 3.799 17.235 681 HB2 LEU 15 HB2 LEU 15 24.886 4.409 15.286 682 HB3 LEU 15 HB1 LEU 15 26.562 4.164 14.792 683 HG LEU 15 HG LEU 15 25.031 2.148 16.456 684 HD11 LEU 15 HD11 LEU 15 25.429 2.246 13.447 685 HD12 LEU 15 HD12 LEU 15 23.891 2.421 14.295 686 HD13 LEU 15 HD13 LEU 15 24.752 0.882 14.339 687 HD21 LEU 15 HD21 LEU 15 27.631 2.134 14.901 688 HD22 LEU 15 HD22 LEU 15 26.843 0.650 15.438 689 HD23 LEU 15 HD23 LEU 15 27.401 1.830 16.623 690 H SER 16 HN SER 16 24.968 6.529 17.277 691 HA SER 16 HA SER 16 26.719 8.426 16.052 692 HB2 SER 16 HB2 SER 16 24.318 8.838 16.176 693 HB3 SER 16 HB1 SER 16 24.380 8.815 17.937 694 HG SER 16 HG SER 16 24.921 10.832 17.829 695 H ALA 17 HN ALA 17 25.912 7.661 19.433 696 HA ALA 17 HA ALA 17 27.627 9.557 20.615 697 HB1 ALA 17 HB1 ALA 17 25.757 7.971 21.631 698 HB2 ALA 17 HB2 ALA 17 27.085 8.565 22.627 699 HB3 ALA 17 HB3 ALA 17 27.144 6.933 21.963 700 H LEU 18 HN LEU 18 28.139 6.183 19.617 701 HA LEU 18 HA LEU 18 30.755 5.938 20.668 702 HB2 LEU 18 HB2 LEU 18 29.294 4.513 18.446 703 HB3 LEU 18 HB1 LEU 18 30.934 4.083 18.939 704 HG LEU 18 HG LEU 18 28.670 4.270 20.931 705 HD11 LEU 18 HD11 LEU 18 29.645 1.767 19.526 706 HD12 LEU 18 HD12 LEU 18 28.161 2.616 19.094 707 HD13 LEU 18 HD13 LEU 18 28.327 1.887 20.692 708 HD21 LEU 18 HD21 LEU 18 30.864 4.281 21.929 709 HD22 LEU 18 HD22 LEU 18 31.414 2.982 20.873 710 HD23 LEU 18 HD23 LEU 18 30.223 2.652 22.130 711 H HIS 19 HN HIS 19 29.582 6.814 17.399 712 HA HIS 19 HA HIS 19 32.021 7.042 16.122 713 HB2 HIS 19 HB2 HIS 19 29.743 7.254 15.077 714 HB3 HIS 19 HB1 HIS 19 29.653 8.888 15.731 715 HD2 HIS 19 HD2 HIS 19 30.606 10.732 13.921 716 HE1 HIS 19 HE1 HIS 19 33.217 8.196 11.783 717 HE2 HIS 19 HE2 HIS 19 32.283 10.552 11.927 718 H PHE 20 HN PHE 20 30.259 9.522 17.974 719 HA PHE 20 HA PHE 20 32.235 11.538 17.640 720 HB2 PHE 20 HB2 PHE 20 29.723 11.246 19.029 721 HB3 PHE 20 HB1 PHE 20 30.916 12.015 20.076 722 HD1 PHE 20 HD1 PHE 20 28.998 12.314 16.944 723 HD2 PHE 20 HD2 PHE 20 31.952 14.146 19.463 724 HE1 PHE 20 HE1 PHE 20 28.738 14.445 15.696 725 HE2 PHE 20 HE2 PHE 20 31.698 16.278 18.220 726 HZ PHE 20 HZ PHE 20 30.083 16.444 16.330 727 H MET 21 HN MET 21 31.736 8.984 20.025 728 HA MET 21 HA MET 21 33.595 9.830 21.951 729 HB2 MET 21 HB2 MET 21 31.958 8.007 22.307 730 HB3 MET 21 HB1 MET 21 32.867 6.992 21.187 731 HG2 MET 21 HG2 MET 21 33.524 6.450 23.478 732 HG3 MET 21 HG1 MET 21 34.874 7.233 22.659 733 HE1 MET 21 HE1 MET 21 35.226 6.988 25.403 734 HE2 MET 21 HE2 MET 21 35.387 8.554 26.195 735 HE3 MET 21 HE3 MET 21 36.233 8.250 24.679 736 H ALA 22 HN ALA 22 34.008 7.658 19.169 737 HA ALA 22 HA ALA 22 36.746 7.111 19.584 738 HB1 ALA 22 HB1 ALA 22 35.579 5.666 18.126 739 HB2 ALA 22 HB2 ALA 22 36.687 6.566 17.091 740 HB3 ALA 22 HB3 ALA 22 34.980 7.005 17.147 741 H TRP 23 HN TRP 23 35.080 9.635 17.759 742 HA TRP 23 HA TRP 23 37.411 10.767 16.576 743 HB2 TRP 23 HB2 TRP 23 34.610 11.694 17.084 744 HB3 TRP 23 HB1 TRP 23 35.820 12.799 16.431 745 HD1 TRP 23 HD1 TRP 23 33.831 12.537 14.410 746 HE1 TRP 23 HE1 TRP 23 34.011 11.121 12.280 747 HE3 TRP 23 HE3 TRP 23 37.377 9.076 15.850 748 HZ2 TRP 23 HZ2 TRP 23 35.433 8.895 11.304 749 HZ3 TRP 23 HZ3 TRP 23 38.101 7.336 14.265 750 HH2 TRP 23 HH2 TRP 23 37.139 7.231 11.995 751 H THR 24 HN THR 24 35.597 11.708 19.500 752 HA THR 24 HA THR 24 37.118 13.883 20.241 753 HB THR 24 HB THR 24 36.552 12.862 22.657 754 HG1 THR 24 HG1 THR 24 35.165 11.255 22.561 755 HG21 THR 24 HG21 THR 24 34.423 13.987 22.502 756 HG22 THR 24 HG22 THR 24 34.383 13.774 20.751 757 HG23 THR 24 HG23 THR 24 35.559 14.869 21.480 758 H ILE 25 HN ILE 25 37.608 10.494 21.291 759 HA ILE 25 HA ILE 25 40.062 11.008 22.611 760 HB ILE 25 HB ILE 25 38.407 8.868 22.516 761 HG12 ILE 25 HG12 ILE 25 40.404 7.636 23.599 762 HG13 ILE 25 HG11 ILE 25 41.311 9.117 23.288 763 HG21 ILE 25 HG21 ILE 25 39.311 8.310 20.211 764 HG22 ILE 25 HG22 ILE 25 39.450 7.020 21.399 765 HG23 ILE 25 HG23 ILE 25 40.862 7.985 20.982 766 HD11 ILE 25 HD11 ILE 25 38.688 9.016 24.802 767 HD12 ILE 25 HD12 ILE 25 39.732 10.423 24.595 768 HD13 ILE 25 HD13 ILE 25 40.275 9.057 25.570 769 H GLY 26 HN GLY 26 39.269 10.303 19.285 770 HA2 GLY 26 HA2 GLY 26 41.806 9.585 18.299 771 HA3 GLY 26 HA1 GLY 26 40.537 10.352 17.349 772 H HIS 27 HN HIS 27 40.248 12.785 18.453 773 HA HIS 27 HA HIS 27 42.479 14.235 17.463 774 HB2 HIS 27 HB2 HIS 27 40.223 15.176 17.437 775 HB3 HIS 27 HB1 HIS 27 40.181 15.162 19.201 776 HD2 HIS 27 HD2 HIS 27 41.870 17.216 16.301 777 HE1 HIS 27 HE1 HIS 27 42.780 19.111 19.962 778 HE2 HIS 27 HE2 HIS 27 42.935 19.313 17.436 779 H LEU 28 HN LEU 28 41.492 13.208 20.667 780 HA LEU 28 HA LEU 28 43.395 14.807 22.094 781 HB2 LEU 28 HB2 LEU 28 41.770 12.375 22.855 782 HB3 LEU 28 HB1 LEU 28 42.835 13.218 23.980 783 HG LEU 28 HG LEU 28 40.718 14.700 22.420 784 HD11 LEU 28 HD11 LEU 28 39.289 14.481 24.455 785 HD12 LEU 28 HD12 LEU 28 40.449 13.325 25.110 786 HD13 LEU 28 HD13 LEU 28 39.551 12.937 23.644 787 HD21 LEU 28 HD21 LEU 28 42.545 15.969 23.568 788 HD22 LEU 28 HD22 LEU 28 42.065 15.225 25.091 789 HD23 LEU 28 HD23 LEU 28 40.956 16.310 24.250 790 H ASN 29 HN ASN 29 43.470 11.707 20.508 791 HA ASN 29 HA ASN 29 45.640 10.512 21.819 792 HB2 ASN 29 HB2 ASN 29 44.200 9.352 20.174 793 HB3 ASN 29 HB1 ASN 29 44.909 10.326 18.886 794 HD21 ASN 29 HD21 ASN 29 45.236 7.387 20.557 795 HD22 ASN 29 HD22 ASN 29 46.830 7.024 20.099 796 H GLN 30 HN GLN 30 47.598 11.346 22.119 797 HA GLN 30 HA GLN 30 48.826 12.876 19.904 798 HB2 GLN 30 HB2 GLN 30 48.260 14.329 21.821 799 HB3 GLN 30 HB1 GLN 30 49.221 13.296 22.878 800 HG2 GLN 30 HG2 GLN 30 50.530 15.252 22.167 801 HG3 GLN 30 HG1 GLN 30 51.225 13.772 21.512 802 HE21 GLN 30 HE21 GLN 30 52.140 14.718 19.599 803 HE22 GLN 30 HE22 GLN 30 51.183 15.392 18.368 804 H ILE 31 HN ILE 31 50.564 11.923 19.082 805 HA ILE 31 HA ILE 31 51.649 9.518 19.926 806 HB ILE 31 HB ILE 31 53.660 10.194 18.552 807 HG12 ILE 31 HG12 ILE 31 52.021 12.683 18.012 808 HG13 ILE 31 HG11 ILE 31 53.377 12.655 19.141 809 HG21 ILE 31 HG21 ILE 31 51.718 9.076 17.543 810 HG22 ILE 31 HG22 ILE 31 52.371 10.283 16.435 811 HG23 ILE 31 HG23 ILE 31 50.907 10.630 17.354 812 HD11 ILE 31 HD11 ILE 31 53.592 11.788 16.247 813 HD12 ILE 31 HD12 ILE 31 54.913 12.030 17.389 814 HD13 ILE 31 HD13 ILE 31 53.984 13.412 16.810 815 H LYS 32 HN LYS 32 53.314 8.903 21.237 816 HA LYS 32 HA LYS 32 55.035 10.861 22.502 817 HB2 LYS 32 HB2 LYS 32 54.375 10.291 24.796 818 HB3 LYS 32 HB1 LYS 32 53.018 10.993 23.914 819 HG2 LYS 32 HG2 LYS 32 52.124 8.751 23.465 820 HG3 LYS 32 HG1 LYS 32 53.498 8.022 24.295 821 HD2 LYS 32 HD2 LYS 32 52.844 9.154 26.385 822 HD3 LYS 32 HD1 LYS 32 51.469 9.889 25.559 823 HE2 LYS 32 HE2 LYS 32 50.533 7.671 25.091 824 HE3 LYS 32 HE1 LYS 32 51.927 6.905 25.855 825 HZ1 LYS 32 HZ1 LYS 32 50.465 6.943 27.586 826 HZ2 LYS 32 HZ2 LYS 32 49.705 8.376 27.078 827 HZ3 LYS 32 HZ3 LYS 32 51.226 8.439 27.832 828 H ARG 33 HN ARG 33 56.710 9.855 23.810 829 HA ARG 33 HA ARG 33 56.972 6.948 23.559 830 HB2 ARG 33 HB2 ARG 33 58.246 8.702 21.762 831 HB3 ARG 33 HB1 ARG 33 59.495 8.178 22.893 832 HG2 ARG 33 HG2 ARG 33 58.765 5.810 22.517 833 HG3 ARG 33 HG1 ARG 33 57.654 6.391 21.277 834 HD2 ARG 33 HD2 ARG 33 59.394 6.096 19.855 835 HD3 ARG 33 HD1 ARG 33 60.001 7.604 20.534 836 HE ARG 33 HE ARG 33 60.858 5.538 22.212 837 HH11 ARG 33 HH11 ARG 33 61.286 6.593 18.915 838 HH12 ARG 33 HH12 ARG 33 62.881 5.940 18.787 839 HH21 ARG 33 HH21 ARG 33 62.948 4.695 22.017 840 HH22 ARG 33 HH22 ARG 33 63.818 4.871 20.530 841 H1 MET 1 HT1 MET 1 6.990 19.690 18.977 842 H2 MET 1 HT2 MET 1 5.350 19.407 19.315 843 H3 MET 1 HT3 MET 1 6.236 18.283 18.401 844 HA MET 1 HA MET 1 7.726 18.039 20.419 845 HB2 MET 1 HB2 MET 1 6.782 18.670 22.540 846 HB3 MET 1 HB1 MET 1 6.740 20.101 21.511 847 HG2 MET 1 HG2 MET 1 4.362 19.588 20.952 848 HG3 MET 1 HG1 MET 1 4.419 18.225 22.069 849 HE1 MET 1 HE1 MET 1 4.548 19.491 25.477 850 HE2 MET 1 HE2 MET 1 6.110 19.350 24.676 851 HE3 MET 1 HE3 MET 1 4.827 18.203 24.297 852 H PHE 2 HN PHE 2 4.344 17.736 19.565 853 HA PHE 2 HA PHE 2 3.858 15.307 20.979 854 HB2 PHE 2 HB2 PHE 2 2.461 16.627 18.645 855 HB3 PHE 2 HB1 PHE 2 1.885 15.142 19.404 856 HD1 PHE 2 HD1 PHE 2 2.502 18.751 19.898 857 HD2 PHE 2 HD2 PHE 2 0.918 15.153 21.627 858 HE1 PHE 2 HE1 PHE 2 1.412 20.088 21.679 859 HE2 PHE 2 HE2 PHE 2 -0.171 16.490 23.410 860 HZ PHE 2 HZ PHE 2 0.076 18.958 23.436 861 H GLU 3 HN GLU 3 5.152 16.096 17.807 862 HA GLU 3 HA GLU 3 5.030 13.330 16.941 863 HB2 GLU 3 HB2 GLU 3 6.177 15.774 15.590 864 HB3 GLU 3 HB1 GLU 3 6.022 14.176 14.855 865 HG2 GLU 3 HG2 GLU 3 3.576 14.248 15.232 866 HG3 GLU 3 HG1 GLU 3 3.742 15.859 15.927 867 HA PRO 4 HA PRO 4 9.107 12.587 18.724 868 HB2 PRO 4 HB2 PRO 4 9.528 10.097 17.650 869 HB3 PRO 4 HB1 PRO 4 8.501 10.395 19.067 870 HG2 PRO 4 HG2 PRO 4 7.725 9.982 16.221 871 HG3 PRO 4 HG1 PRO 4 6.969 9.363 17.700 872 HD2 PRO 4 HD2 PRO 4 5.964 11.492 16.342 873 HD3 PRO 4 HD1 PRO 4 5.827 11.339 18.109 874 H PHE 5 HN PHE 5 8.337 12.466 15.334 875 HA PHE 5 HA PHE 5 10.946 12.106 14.296 876 HB2 PHE 5 HB2 PHE 5 9.521 11.870 12.557 877 HB3 PHE 5 HB1 PHE 5 8.321 12.948 13.270 878 HD1 PHE 5 HD1 PHE 5 11.474 12.811 11.320 879 HD2 PHE 5 HD2 PHE 5 8.291 15.298 12.780 880 HE1 PHE 5 HE1 PHE 5 12.233 14.651 9.839 881 HE2 PHE 5 HE2 PHE 5 9.050 17.138 11.302 882 HZ PHE 5 HZ PHE 5 11.021 16.815 9.830 883 H GLN 6 HN GLN 6 9.181 14.946 15.415 884 HA GLN 6 HA GLN 6 10.898 16.917 14.322 885 HB2 GLN 6 HB2 GLN 6 8.632 17.358 15.252 886 HB3 GLN 6 HB1 GLN 6 9.280 17.076 16.869 887 HG2 GLN 6 HG2 GLN 6 10.801 18.934 16.663 888 HG3 GLN 6 HG1 GLN 6 10.399 19.141 14.959 889 HE21 GLN 6 HE21 GLN 6 9.989 21.417 16.288 890 HE22 GLN 6 HE22 GLN 6 8.355 21.660 16.681 891 H ILE 7 HN ILE 7 10.929 15.192 17.389 892 HA ILE 7 HA ILE 7 13.114 16.680 18.499 893 HB ILE 7 HB ILE 7 12.895 15.396 20.376 894 HG12 ILE 7 HG12 ILE 7 12.497 13.049 18.515 895 HG13 ILE 7 HG11 ILE 7 13.851 13.359 19.590 896 HG21 ILE 7 HG21 ILE 7 10.633 14.844 20.764 897 HG22 ILE 7 HG22 ILE 7 10.369 14.360 19.088 898 HG23 ILE 7 HG23 ILE 7 10.565 16.065 19.497 899 HD11 ILE 7 HD11 ILE 7 11.040 12.523 20.307 900 HD12 ILE 7 HD12 ILE 7 12.129 13.229 21.502 901 HD13 ILE 7 HD13 ILE 7 12.557 11.718 20.701 902 H LEU 8 HN LEU 8 12.875 13.791 16.507 903 HA LEU 8 HA LEU 8 15.631 13.060 16.841 904 HB2 LEU 8 HB2 LEU 8 13.916 11.378 16.340 905 HB3 LEU 8 HB1 LEU 8 13.559 12.185 14.815 906 HG LEU 8 HG LEU 8 15.893 11.786 14.074 907 HD11 LEU 8 HD11 LEU 8 16.061 10.452 16.786 908 HD12 LEU 8 HD12 LEU 8 17.117 11.695 16.115 909 HD13 LEU 8 HD13 LEU 8 17.177 10.053 15.479 910 HD21 LEU 8 HD21 LEU 8 14.425 9.309 15.028 911 HD22 LEU 8 HD22 LEU 8 15.660 9.344 13.771 912 HD23 LEU 8 HD23 LEU 8 14.120 10.167 13.518 913 H SER 9 HN SER 9 13.716 14.907 14.560 914 HA SER 9 HA SER 9 15.735 15.124 12.550 915 HB2 SER 9 HB2 SER 9 13.350 15.482 12.052 916 HB3 SER 9 HB1 SER 9 13.347 16.902 13.092 917 HG SER 9 HG SER 9 14.018 16.752 10.545 918 H ILE 10 HN ILE 10 14.659 17.229 15.216 919 HA ILE 10 HA ILE 10 16.504 19.321 14.632 920 HB ILE 10 HB ILE 10 14.356 19.406 16.071 921 HG12 ILE 10 HG12 ILE 10 15.483 21.148 17.602 922 HG13 ILE 10 HG11 ILE 10 16.982 20.718 16.778 923 HG21 ILE 10 HG21 ILE 10 14.578 18.948 18.403 924 HG22 ILE 10 HG22 ILE 10 16.319 18.698 18.260 925 HG23 ILE 10 HG23 ILE 10 15.199 17.528 17.569 926 HD11 ILE 10 HD11 ILE 10 15.700 22.689 15.788 927 HD12 ILE 10 HD12 ILE 10 14.479 21.521 15.284 928 HD13 ILE 10 HD13 ILE 10 16.123 21.404 14.656 929 H CYS 11 HN CYS 11 16.673 16.362 16.587 930 HA CYS 11 HA CYS 11 19.089 17.064 17.934 931 HB2 CYS 11 HB2 CYS 11 17.445 14.605 17.562 932 HB3 CYS 11 HB1 CYS 11 19.119 14.406 18.084 933 HG CYS 11 HG CYS 11 18.604 15.563 20.267 934 H SER 12 HN SER 12 18.444 14.733 15.279 935 HA SER 12 HA SER 12 21.123 14.209 14.700 936 HB2 SER 12 HB2 SER 12 19.289 12.823 13.852 937 HB3 SER 12 HB1 SER 12 18.738 14.154 12.840 938 HG SER 12 HG SER 12 20.762 12.375 12.452 939 H PHE 13 HN PHE 13 18.931 16.685 13.391 940 HA PHE 13 HA PHE 13 20.593 17.681 11.381 941 HB2 PHE 13 HB2 PHE 13 18.310 18.405 11.512 942 HB3 PHE 13 HB1 PHE 13 18.553 19.063 13.130 943 HD1 PHE 13 HD1 PHE 13 19.579 19.437 9.564 944 HD2 PHE 13 HD2 PHE 13 19.396 21.250 13.455 945 HE1 PHE 13 HE1 PHE 13 20.276 21.608 8.586 946 HE2 PHE 13 HE2 PHE 13 20.093 23.418 12.478 947 HZ PHE 13 HZ PHE 13 20.531 23.599 10.044 948 H ILE 14 HN ILE 14 20.338 18.693 14.798 949 HA ILE 14 HA ILE 14 22.273 20.729 14.693 950 HB ILE 14 HB ILE 14 21.347 18.944 16.943 951 HG12 ILE 14 HG12 ILE 14 19.850 20.714 15.768 952 HG13 ILE 14 HG11 ILE 14 19.939 20.745 17.527 953 HG21 ILE 14 HG21 ILE 14 23.350 21.208 16.920 954 HG22 ILE 14 HG22 ILE 14 23.504 19.610 17.651 955 HG23 ILE 14 HG23 ILE 14 22.429 20.806 18.372 956 HD11 ILE 14 HD11 ILE 14 21.834 22.405 15.862 957 HD12 ILE 14 HD12 ILE 14 21.356 22.628 17.545 958 HD13 ILE 14 HD13 ILE 14 20.216 22.990 16.250 959 H LEU 15 HN LEU 15 22.603 17.276 15.499 960 HA LEU 15 HA LEU 15 25.388 17.365 16.033 961 HB2 LEU 15 HB2 LEU 15 23.533 15.108 15.253 962 HB3 LEU 15 HB1 LEU 15 25.231 14.866 15.666 963 HG LEU 15 HG LEU 15 23.290 16.299 17.495 964 HD11 LEU 15 HD11 LEU 15 24.124 13.380 17.494 965 HD12 LEU 15 HD12 LEU 15 22.505 13.993 17.161 966 HD13 LEU 15 HD13 LEU 15 23.200 14.172 18.772 967 HD21 LEU 15 HD21 LEU 15 26.074 15.142 17.784 968 HD22 LEU 15 HD22 LEU 15 25.077 15.567 19.174 969 HD23 LEU 15 HD23 LEU 15 25.568 16.814 18.031 970 H SER 16 HN SER 16 23.527 17.074 13.110 971 HA SER 16 HA SER 16 25.613 16.112 11.413 972 HB2 SER 16 HB2 SER 16 23.269 15.879 10.775 973 HB3 SER 16 HB1 SER 16 23.073 17.630 10.768 974 HG SER 16 HG SER 16 23.815 17.593 8.813 975 H ALA 17 HN ALA 17 24.253 19.341 12.036 976 HA ALA 17 HA ALA 17 25.950 20.752 10.283 977 HB1 ALA 17 HB1 ALA 17 23.808 21.491 11.665 978 HB2 ALA 17 HB2 ALA 17 25.030 22.668 11.181 979 HB3 ALA 17 HB3 ALA 17 25.026 22.027 12.824 980 H LEU 18 HN LEU 18 26.283 19.850 13.714 981 HA LEU 18 HA LEU 18 28.678 21.284 14.177 982 HB2 LEU 18 HB2 LEU 18 27.426 18.878 15.503 983 HB3 LEU 18 HB1 LEU 18 28.927 19.609 16.074 984 HG LEU 18 HG LEU 18 26.426 21.247 15.639 985 HD11 LEU 18 HD11 LEU 18 27.352 20.012 18.249 986 HD12 LEU 18 HD12 LEU 18 26.035 19.363 17.272 987 HD13 LEU 18 HD13 LEU 18 25.896 20.971 17.983 988 HD21 LEU 18 HD21 LEU 18 28.444 22.557 15.815 989 HD22 LEU 18 HD22 LEU 18 29.012 21.597 17.180 990 HD23 LEU 18 HD23 LEU 18 27.626 22.669 17.372 991 H HIS 19 HN HIS 19 28.083 17.868 13.264 992 HA HIS 19 HA HIS 19 30.689 16.966 13.284 993 HB2 HIS 19 HB2 HIS 19 28.619 15.598 12.881 994 HB3 HIS 19 HB1 HIS 19 28.592 16.222 11.233 995 HD2 HIS 19 HD2 HIS 19 29.969 14.559 9.523 996 HE1 HIS 19 HE1 HIS 19 32.609 12.842 12.335 997 HE2 HIS 19 HE2 HIS 19 31.893 12.832 9.899 998 H PHE 20 HN PHE 20 28.923 18.525 10.617 999 HA PHE 20 HA PHE 20 31.109 18.476 8.803 1000 HB2 PHE 20 HB2 PHE 20 28.406 19.483 8.836 1001 HB3 PHE 20 HB1 PHE 20 29.501 20.691 8.162 1002 HD1 PHE 20 HD1 PHE 20 28.099 17.310 7.747 1003 HD2 PHE 20 HD2 PHE 20 30.819 20.229 6.154 1004 HE1 PHE 20 HE1 PHE 20 28.234 16.030 5.623 1005 HE2 PHE 20 HE2 PHE 20 30.954 18.951 4.035 1006 HZ PHE 20 HZ PHE 20 29.659 16.853 3.763 1007 H MET 21 HN MET 21 30.034 20.769 11.258 1008 HA MET 21 HA MET 21 31.660 22.947 10.547 1009 HB2 MET 21 HB2 MET 21 29.821 23.068 12.202 1010 HB3 MET 21 HB1 MET 21 30.781 22.098 13.319 1011 HG2 MET 21 HG2 MET 21 31.046 24.464 13.876 1012 HG3 MET 21 HG1 MET 21 32.569 23.846 13.238 1013 HE1 MET 21 HE1 MET 21 32.495 26.615 13.463 1014 HE2 MET 21 HE2 MET 21 32.687 27.413 11.905 1015 HE3 MET 21 HE3 MET 21 33.710 26.039 12.314 1016 H ALA 22 HN ALA 22 32.269 20.258 12.806 1017 HA ALA 22 HA ALA 22 34.848 21.082 13.594 1018 HB1 ALA 22 HB1 ALA 22 33.772 19.478 14.952 1019 HB2 ALA 22 HB2 ALA 22 35.099 18.609 14.180 1020 HB3 ALA 22 HB3 ALA 22 33.451 18.413 13.582 1021 H TRP 23 HN TRP 23 33.713 19.015 10.962 1022 HA TRP 23 HA TRP 23 36.288 18.182 10.075 1023 HB2 TRP 23 HB2 TRP 23 33.546 18.268 8.881 1024 HB3 TRP 23 HB1 TRP 23 34.938 17.797 7.906 1025 HD1 TRP 23 HD1 TRP 23 33.254 15.503 8.011 1026 HE1 TRP 23 HE1 TRP 23 33.611 13.426 9.476 1027 HE3 TRP 23 HE3 TRP 23 36.192 17.469 11.771 1028 HZ2 TRP 23 HZ2 TRP 23 34.935 12.690 11.846 1029 HZ3 TRP 23 HZ3 TRP 23 36.969 16.016 13.603 1030 HH2 TRP 23 HH2 TRP 23 36.346 13.631 13.658 1031 H THR 24 HN THR 24 34.168 20.803 8.918 1032 HA THR 24 HA THR 24 35.766 21.748 6.878 1033 HB THR 24 HB THR 24 34.761 24.058 7.793 1034 HG1 THR 24 HG1 THR 24 33.253 23.772 9.264 1035 HG21 THR 24 HG21 THR 24 32.794 23.589 6.477 1036 HG22 THR 24 HG22 THR 24 32.988 21.853 6.719 1037 HG23 THR 24 HG23 THR 24 34.146 22.739 5.726 1038 H ILE 25 HN ILE 25 35.776 22.876 10.281 1039 HA ILE 25 HA ILE 25 38.046 24.539 9.969 1040 HB ILE 25 HB ILE 25 36.225 24.216 11.946 1041 HG12 ILE 25 HG12 ILE 25 37.919 25.585 13.339 1042 HG13 ILE 25 HG11 ILE 25 38.998 25.403 11.955 1043 HG21 ILE 25 HG21 ILE 25 37.396 22.071 12.633 1044 HG22 ILE 25 HG22 ILE 25 37.237 23.272 13.906 1045 HG23 ILE 25 HG23 ILE 25 38.782 23.060 13.085 1046 HD11 ILE 25 HD11 ILE 25 36.185 26.516 11.782 1047 HD12 ILE 25 HD12 ILE 25 37.377 26.457 10.483 1048 HD13 ILE 25 HD13 ILE 25 37.639 27.508 11.874 1049 H GLY 26 HN GLY 26 37.682 21.133 10.662 1050 HA2 GLY 26 HA2 GLY 26 40.255 20.539 11.633 1051 HA3 GLY 26 HA1 GLY 26 39.217 19.406 10.770 1052 H HIS 27 HN HIS 27 39.004 20.438 8.302 1053 HA HIS 27 HA HIS 27 41.482 19.783 7.084 1054 HB2 HIS 27 HB2 HIS 27 39.355 19.421 5.936 1055 HB3 HIS 27 HB1 HIS 27 39.055 21.158 5.911 1056 HD2 HIS 27 HD2 HIS 27 41.338 18.527 4.083 1057 HE1 HIS 27 HE1 HIS 27 41.882 22.273 2.212 1058 HE2 HIS 27 HE2 HIS 27 42.422 19.796 2.073 1059 H LEU 28 HN LEU 28 39.949 22.813 7.958 1060 HA LEU 28 HA LEU 28 41.767 24.495 6.510 1061 HB2 LEU 28 HB2 LEU 28 39.823 25.024 8.764 1062 HB3 LEU 28 HB1 LEU 28 40.790 26.287 8.002 1063 HG LEU 28 HG LEU 28 39.074 24.425 6.359 1064 HD11 LEU 28 HD11 LEU 28 37.349 26.230 6.405 1065 HD12 LEU 28 HD12 LEU 28 38.286 27.055 7.651 1066 HD13 LEU 28 HD13 LEU 28 37.577 25.474 7.981 1067 HD21 LEU 28 HD21 LEU 28 40.826 25.822 5.246 1068 HD22 LEU 28 HD22 LEU 28 40.059 27.262 5.911 1069 HD23 LEU 28 HD23 LEU 28 39.196 26.263 4.744 1070 H ASN 29 HN ASN 29 41.775 22.955 9.635 1071 HA ASN 29 HA ASN 29 43.607 24.575 11.002 1072 HB2 ASN 29 HB2 ASN 29 42.316 22.742 12.054 1073 HB3 ASN 29 HB1 ASN 29 43.294 21.568 11.177 1074 HD21 ASN 29 HD21 ASN 29 43.092 23.285 14.100 1075 HD22 ASN 29 HD22 ASN 29 44.694 23.067 14.619 1076 H GLN 30 HN GLN 30 45.569 25.153 10.351 1077 HA GLN 30 HA GLN 30 47.249 23.134 8.987 1078 HB2 GLN 30 HB2 GLN 30 46.552 24.938 7.449 1079 HB3 GLN 30 HB1 GLN 30 47.246 26.131 8.548 1080 HG2 GLN 30 HG2 GLN 30 48.826 25.609 6.737 1081 HG3 GLN 30 HG1 GLN 30 49.464 25.070 8.289 1082 HE21 GLN 30 HE21 GLN 30 50.732 23.306 7.470 1083 HE22 GLN 30 HE22 GLN 30 50.034 21.947 6.733 1084 H ILE 31 HN ILE 31 48.988 22.581 10.115 1085 HA ILE 31 HA ILE 31 49.703 23.587 12.594 1086 HB ILE 31 HB ILE 31 51.948 22.519 12.137 1087 HG12 ILE 31 HG12 ILE 31 50.651 21.731 9.516 1088 HG13 ILE 31 HG11 ILE 31 51.820 23.047 9.649 1089 HG21 ILE 31 HG21 ILE 31 50.075 21.243 13.087 1090 HG22 ILE 31 HG22 ILE 31 50.994 20.237 11.969 1091 HG23 ILE 31 HG23 ILE 31 49.452 20.929 11.466 1092 HD11 ILE 31 HD11 ILE 31 52.369 20.222 10.590 1093 HD12 ILE 31 HD12 ILE 31 53.527 21.544 10.451 1094 HD13 ILE 31 HD13 ILE 31 52.830 20.827 8.998 1095 H LYS 32 HN LYS 32 51.094 25.132 13.338 1096 HA LYS 32 HA LYS 32 52.792 26.624 11.525 1097 HB2 LYS 32 HB2 LYS 32 51.755 28.800 11.986 1098 HB3 LYS 32 HB1 LYS 32 50.615 27.725 11.177 1099 HG2 LYS 32 HG2 LYS 32 49.583 27.161 13.334 1100 HG3 LYS 32 HG1 LYS 32 50.746 28.191 14.173 1101 HD2 LYS 32 HD2 LYS 32 49.906 30.155 12.942 1102 HD3 LYS 32 HD1 LYS 32 48.742 29.131 12.099 1103 HE2 LYS 32 HE2 LYS 32 47.677 28.545 14.227 1104 HE3 LYS 32 HE1 LYS 32 48.865 29.507 15.105 1105 HZ1 LYS 32 HZ1 LYS 32 47.181 31.007 14.897 1106 HZ2 LYS 32 HZ2 LYS 32 46.641 30.385 13.412 1107 HZ3 LYS 32 HZ3 LYS 32 48.035 31.352 13.474 1108 H ARG 33 HN ARG 33 54.155 28.170 12.660 1109 HA ARG 33 HA ARG 33 54.171 27.973 15.583 1110 HB2 ARG 33 HB2 ARG 33 55.854 26.374 13.990 1111 HB3 ARG 33 HB1 ARG 33 56.870 27.677 14.608 1112 HG2 ARG 33 HG2 ARG 33 55.980 27.213 16.904 1113 HG3 ARG 33 HG1 ARG 33 55.120 25.821 16.244 1114 HD2 ARG 33 HD2 ARG 33 57.013 24.669 16.729 1115 HD3 ARG 33 HD1 ARG 33 57.656 25.421 15.272 1116 HE ARG 33 HE ARG 33 58.058 27.219 17.376 1117 HH11 ARG 33 HH11 ARG 33 59.059 24.014 16.432 1118 HH12 ARG 33 HH12 ARG 33 60.586 24.126 17.234 1119 HH21 ARG 33 HH21 ARG 33 60.064 27.338 18.416 1120 HH22 ARG 33 HH22 ARG 33 61.154 25.993 18.351 Start of MODEL 6 1 H1 MET 1 HT1 MET 1 -0.041 11.370 1.343 2 H2 MET 1 HT2 MET 1 0.322 11.820 2.941 3 H3 MET 1 HT3 MET 1 1.538 11.833 1.756 4 HA MET 1 HA MET 1 0.124 13.535 0.545 5 HB2 MET 1 HB2 MET 1 -1.330 13.122 3.096 6 HB3 MET 1 HB1 MET 1 -1.109 14.804 2.613 7 HG2 MET 1 HG2 MET 1 -2.163 12.689 0.721 8 HG3 MET 1 HG1 MET 1 -3.219 13.677 1.732 9 HE1 MET 1 HE1 MET 1 -3.170 15.988 1.952 10 HE2 MET 1 HE2 MET 1 -4.260 16.001 0.568 11 HE3 MET 1 HE3 MET 1 -2.938 17.163 0.650 12 H PHE 2 HN PHE 2 2.461 13.923 0.562 13 HA PHE 2 HA PHE 2 4.346 15.112 1.129 14 HB2 PHE 2 HB2 PHE 2 2.219 16.875 2.367 15 HB3 PHE 2 HB1 PHE 2 3.909 17.345 2.177 16 HD1 PHE 2 HD1 PHE 2 0.728 16.731 0.461 17 HD2 PHE 2 HD2 PHE 2 4.892 17.641 -0.069 18 HE1 PHE 2 HE1 PHE 2 0.284 17.400 -1.888 19 HE2 PHE 2 HE2 PHE 2 4.449 18.308 -2.415 20 HZ PHE 2 HZ PHE 2 2.145 18.189 -3.325 21 H GLU 3 HN GLU 3 4.531 13.066 2.619 22 HA GLU 3 HA GLU 3 4.240 13.553 5.444 23 HB2 GLU 3 HB2 GLU 3 5.593 11.321 3.918 24 HB3 GLU 3 HB1 GLU 3 5.355 11.335 5.667 25 HG2 GLU 3 HG2 GLU 3 3.095 11.620 3.669 26 HG3 GLU 3 HG1 GLU 3 3.577 10.082 4.383 27 HA PRO 4 HA PRO 4 8.175 15.481 6.214 28 HB2 PRO 4 HB2 PRO 4 8.770 14.471 8.705 29 HB3 PRO 4 HB1 PRO 4 7.609 15.782 8.417 30 HG2 PRO 4 HG2 PRO 4 7.115 12.879 8.869 31 HG3 PRO 4 HG1 PRO 4 6.229 14.286 9.486 32 HD2 PRO 4 HD2 PRO 4 5.296 12.822 7.403 33 HD3 PRO 4 HD1 PRO 4 5.037 14.579 7.504 34 H PHE 5 HN PHE 5 7.824 12.037 6.339 35 HA PHE 5 HA PHE 5 10.460 11.216 6.769 36 HB2 PHE 5 HB2 PHE 5 9.274 9.306 6.664 37 HB3 PHE 5 HB1 PHE 5 8.017 10.045 5.673 38 HD1 PHE 5 HD1 PHE 5 11.458 8.593 5.535 39 HD2 PHE 5 HD2 PHE 5 7.931 9.684 3.338 40 HE1 PHE 5 HE1 PHE 5 12.355 7.451 3.523 41 HE2 PHE 5 HE2 PHE 5 8.829 8.543 1.329 42 HZ PHE 5 HZ PHE 5 11.041 7.426 1.421 43 H GLN 6 HN GLN 6 8.829 12.364 3.858 44 HA GLN 6 HA GLN 6 10.828 11.686 1.997 45 HB2 GLN 6 HB2 GLN 6 8.589 12.420 1.324 46 HB3 GLN 6 HB1 GLN 6 8.920 14.034 1.954 47 HG2 GLN 6 HG2 GLN 6 10.747 14.326 0.363 48 HG3 GLN 6 HG1 GLN 6 10.536 12.677 -0.225 49 HE21 GLN 6 HE21 GLN 6 9.617 12.847 -2.277 50 HE22 GLN 6 HE22 GLN 6 8.293 13.836 -2.664 51 H ILE 7 HN ILE 7 10.401 14.584 3.991 52 HA ILE 7 HA ILE 7 12.530 16.081 2.898 53 HB ILE 7 HB ILE 7 11.305 16.136 5.660 54 HG12 ILE 7 HG12 ILE 7 10.890 17.998 3.311 55 HG13 ILE 7 HG11 ILE 7 9.851 16.605 3.620 56 HG21 ILE 7 HG21 ILE 7 12.276 18.461 5.695 57 HG22 ILE 7 HG22 ILE 7 13.185 18.044 4.244 58 HG23 ILE 7 HG23 ILE 7 13.488 17.182 5.750 59 HD11 ILE 7 HD11 ILE 7 9.329 17.476 5.859 60 HD12 ILE 7 HD12 ILE 7 8.910 18.659 4.619 61 HD13 ILE 7 HD13 ILE 7 10.381 18.863 5.570 62 H LEU 8 HN LEU 8 12.411 14.031 5.830 63 HA LEU 8 HA LEU 8 15.121 14.378 6.533 64 HB2 LEU 8 HB2 LEU 8 13.238 13.463 7.980 65 HB3 LEU 8 HB1 LEU 8 13.459 11.932 7.130 66 HG LEU 8 HG LEU 8 15.996 12.300 7.744 67 HD11 LEU 8 HD11 LEU 8 15.582 14.581 8.667 68 HD12 LEU 8 HD12 LEU 8 16.302 13.493 9.852 69 HD13 LEU 8 HD13 LEU 8 14.579 13.860 9.925 70 HD21 LEU 8 HD21 LEU 8 14.532 10.454 8.553 71 HD22 LEU 8 HD22 LEU 8 13.954 11.505 9.845 72 HD23 LEU 8 HD23 LEU 8 15.646 11.010 9.800 73 H SER 9 HN SER 9 13.473 12.081 4.453 74 HA SER 9 HA SER 9 15.621 10.269 4.105 75 HB2 SER 9 HB2 SER 9 13.317 9.691 3.541 76 HB3 SER 9 HB1 SER 9 13.303 10.913 2.275 77 HG SER 9 HG SER 9 13.809 8.958 1.342 78 H ILE 10 HN ILE 10 14.465 12.952 2.044 79 HA ILE 10 HA ILE 10 16.615 12.683 0.186 80 HB ILE 10 HB ILE 10 14.359 13.709 -0.288 81 HG12 ILE 10 HG12 ILE 10 16.674 15.546 -0.944 82 HG13 ILE 10 HG11 ILE 10 16.470 13.965 -1.699 83 HG21 ILE 10 HG21 ILE 10 15.595 16.119 1.074 84 HG22 ILE 10 HG22 ILE 10 14.300 15.138 1.757 85 HG23 ILE 10 HG23 ILE 10 14.023 16.052 0.277 86 HD11 ILE 10 HD11 ILE 10 14.132 14.695 -2.359 87 HD12 ILE 10 HD12 ILE 10 15.435 15.567 -3.163 88 HD13 ILE 10 HD13 ILE 10 14.566 16.318 -1.824 89 H CYS 11 HN CYS 11 16.198 14.503 3.172 90 HA CYS 11 HA CYS 11 18.372 16.303 2.753 91 HB2 CYS 11 HB2 CYS 11 16.846 15.380 5.176 92 HB3 CYS 11 HB1 CYS 11 18.244 16.443 5.326 93 HG CYS 11 HG CYS 11 15.655 17.543 4.810 94 H SER 12 HN SER 12 18.095 13.322 4.751 95 HA SER 12 HA SER 12 20.808 13.246 5.475 96 HB2 SER 12 HB2 SER 12 19.085 11.956 6.653 97 HB3 SER 12 HB1 SER 12 18.838 10.962 5.219 98 HG SER 12 HG SER 12 20.343 9.802 6.162 99 H PHE 13 HN PHE 13 19.062 11.836 2.736 100 HA PHE 13 HA PHE 13 21.133 10.236 1.729 101 HB2 PHE 13 HB2 PHE 13 18.725 10.219 0.995 102 HB3 PHE 13 HB1 PHE 13 19.057 11.694 0.086 103 HD1 PHE 13 HD1 PHE 13 20.157 8.158 0.524 104 HD2 PHE 13 HD2 PHE 13 20.079 11.598 -2.046 105 HE1 PHE 13 HE1 PHE 13 21.098 6.797 -1.323 106 HE2 PHE 13 HE2 PHE 13 21.020 10.236 -3.895 107 HZ PHE 13 HZ PHE 13 21.529 7.836 -3.533 108 H ILE 14 HN ILE 14 20.294 13.639 1.015 109 HA ILE 14 HA ILE 14 22.320 14.080 -0.901 110 HB ILE 14 HB ILE 14 20.849 15.955 0.954 111 HG12 ILE 14 HG12 ILE 14 20.703 15.644 -2.052 112 HG13 ILE 14 HG11 ILE 14 19.673 14.729 -0.955 113 HG21 ILE 14 HG21 ILE 14 22.927 16.530 -1.168 114 HG22 ILE 14 HG22 ILE 14 22.915 17.072 0.510 115 HG23 ILE 14 HG23 ILE 14 21.753 17.737 -0.639 116 HD11 ILE 14 HD11 ILE 14 19.853 17.756 -0.996 117 HD12 ILE 14 HD12 ILE 14 18.735 16.780 -0.045 118 HD13 ILE 14 HD13 ILE 14 18.591 16.823 -1.801 119 H LEU 15 HN LEU 15 22.287 14.613 2.616 120 HA LEU 15 HA LEU 15 24.899 15.716 2.773 121 HB2 LEU 15 HB2 LEU 15 23.173 14.338 4.838 122 HB3 LEU 15 HB1 LEU 15 24.692 15.152 5.210 123 HG LEU 15 HG LEU 15 22.381 16.519 3.805 124 HD11 LEU 15 HD11 LEU 15 23.143 16.785 6.724 125 HD12 LEU 15 HD12 LEU 15 21.871 15.697 6.171 126 HD13 LEU 15 HD13 LEU 15 21.714 17.435 5.917 127 HD21 LEU 15 HD21 LEU 15 23.655 18.549 4.707 128 HD22 LEU 15 HD22 LEU 15 24.446 17.662 3.406 129 HD23 LEU 15 HD23 LEU 15 24.974 17.436 5.073 130 H SER 16 HN SER 16 23.727 12.434 2.639 131 HA SER 16 HA SER 16 26.131 11.226 3.682 132 HB2 SER 16 HB2 SER 16 25.140 9.129 3.086 133 HB3 SER 16 HB1 SER 16 23.846 10.145 3.712 134 HG SER 16 HG SER 16 24.003 8.975 1.353 135 H ALA 17 HN ALA 17 24.768 11.840 0.479 136 HA ALA 17 HA ALA 17 26.812 10.520 -0.995 137 HB1 ALA 17 HB1 ALA 17 25.947 12.137 -2.847 138 HB2 ALA 17 HB2 ALA 17 24.708 12.552 -1.665 139 HB3 ALA 17 HB3 ALA 17 24.865 10.889 -2.228 140 H LEU 18 HN LEU 18 26.342 13.855 0.083 141 HA LEU 18 HA LEU 18 28.633 14.876 -1.273 142 HB2 LEU 18 HB2 LEU 18 27.015 15.951 1.048 143 HB3 LEU 18 HB1 LEU 18 28.280 16.851 0.212 144 HG LEU 18 HG LEU 18 25.857 15.672 -1.179 145 HD11 LEU 18 HD11 LEU 18 25.002 17.987 -1.242 146 HD12 LEU 18 HD12 LEU 18 26.380 18.523 -0.280 147 HD13 LEU 18 HD13 LEU 18 25.187 17.431 0.422 148 HD21 LEU 18 HD21 LEU 18 26.605 17.402 -2.924 149 HD22 LEU 18 HD22 LEU 18 27.643 15.989 -2.739 150 HD23 LEU 18 HD23 LEU 18 28.107 17.525 -2.006 151 H HIS 19 HN HIS 19 28.038 13.387 1.872 152 HA HIS 19 HA HIS 19 30.443 14.189 3.131 153 HB2 HIS 19 HB2 HIS 19 28.543 13.308 4.393 154 HB3 HIS 19 HB1 HIS 19 28.695 11.755 3.573 155 HD2 HIS 19 HD2 HIS 19 30.426 10.007 4.841 156 HE1 HIS 19 HE1 HIS 19 32.387 12.815 7.309 157 HE2 HIS 19 HE2 HIS 19 32.174 10.347 6.751 158 H PHE 20 HN PHE 20 29.538 11.231 1.329 159 HA PHE 20 HA PHE 20 32.139 10.077 1.594 160 HB2 PHE 20 HB2 PHE 20 29.612 9.320 0.384 161 HB3 PHE 20 HB1 PHE 20 30.976 8.929 -0.667 162 HD1 PHE 20 HD1 PHE 20 29.252 8.124 2.443 163 HD2 PHE 20 HD2 PHE 20 32.888 7.567 0.221 164 HE1 PHE 20 HE1 PHE 20 29.853 6.209 3.902 165 HE2 PHE 20 HE2 PHE 20 33.487 5.652 1.680 166 HZ PHE 20 HZ PHE 20 31.976 4.971 3.521 167 H MET 21 HN MET 21 30.642 12.297 -0.631 168 HA MET 21 HA MET 21 32.432 12.035 -2.793 169 HB2 MET 21 HB2 MET 21 30.282 13.744 -2.071 170 HB3 MET 21 HB1 MET 21 31.651 14.772 -2.497 171 HG2 MET 21 HG2 MET 21 30.647 14.378 -4.583 172 HG3 MET 21 HG1 MET 21 31.918 13.156 -4.533 173 HE1 MET 21 HE1 MET 21 30.031 12.971 -6.494 174 HE2 MET 21 HE2 MET 21 28.893 11.629 -6.420 175 HE3 MET 21 HE3 MET 21 30.622 11.314 -6.305 176 H ALA 22 HN ALA 22 32.456 14.378 -0.104 177 HA ALA 22 HA ALA 22 34.956 15.530 -0.784 178 HB1 ALA 22 HB1 ALA 22 33.748 15.385 1.982 179 HB2 ALA 22 HB2 ALA 22 33.259 16.554 0.756 180 HB3 ALA 22 HB3 ALA 22 34.908 16.572 1.382 181 H TRP 23 HN TRP 23 34.066 12.819 1.314 182 HA TRP 23 HA TRP 23 36.609 12.430 2.469 183 HB2 TRP 23 HB2 TRP 23 34.089 11.204 2.599 184 HB3 TRP 23 HB1 TRP 23 35.209 9.942 2.085 185 HD1 TRP 23 HD1 TRP 23 34.230 12.009 5.055 186 HE1 TRP 23 HE1 TRP 23 35.722 11.391 7.067 187 HE3 TRP 23 HE3 TRP 23 37.738 9.146 2.700 188 HZ2 TRP 23 HZ2 TRP 23 38.096 9.878 7.601 189 HZ3 TRP 23 HZ3 TRP 23 39.601 8.129 3.977 190 HH2 TRP 23 HH2 TRP 23 39.785 8.491 6.423 191 H THR 24 HN THR 24 35.109 10.891 -0.382 192 HA THR 24 HA THR 24 37.185 9.177 -1.076 193 HB THR 24 HB THR 24 36.297 9.626 -3.489 194 HG1 THR 24 HG1 THR 24 34.818 11.080 -3.635 195 HG21 THR 24 HG21 THR 24 34.285 8.273 -3.004 196 HG22 THR 24 HG22 THR 24 34.486 8.604 -1.283 197 HG23 THR 24 HG23 THR 24 35.699 7.660 -2.150 198 H ILE 25 HN ILE 25 36.635 12.542 -2.190 199 HA ILE 25 HA ILE 25 39.033 12.624 -3.717 200 HB ILE 25 HB ILE 25 37.216 14.202 -4.126 201 HG12 ILE 25 HG12 ILE 25 39.593 15.765 -3.100 202 HG13 ILE 25 HG11 ILE 25 39.698 14.754 -4.538 203 HG21 ILE 25 HG21 ILE 25 36.779 16.034 -2.542 204 HG22 ILE 25 HG22 ILE 25 37.946 15.340 -1.414 205 HG23 ILE 25 HG23 ILE 25 36.462 14.466 -1.800 206 HD11 ILE 25 HD11 ILE 25 38.493 16.217 -5.809 207 HD12 ILE 25 HD12 ILE 25 38.960 17.386 -4.575 208 HD13 ILE 25 HD13 ILE 25 37.378 16.614 -4.501 209 H GLY 26 HN GLY 26 38.288 13.301 -0.378 210 HA2 GLY 26 HA2 GLY 26 40.635 14.647 0.384 211 HA3 GLY 26 HA1 GLY 26 39.640 13.670 1.461 212 H HIS 27 HN HIS 27 39.867 11.162 0.491 213 HA HIS 27 HA HIS 27 42.428 10.340 1.392 214 HB2 HIS 27 HB2 HIS 27 40.315 8.961 1.500 215 HB3 HIS 27 HB1 HIS 27 40.490 8.684 -0.234 216 HD2 HIS 27 HD2 HIS 27 42.022 7.419 3.104 217 HE1 HIS 27 HE1 HIS 27 44.228 5.643 -0.027 218 HE2 HIS 27 HE2 HIS 27 43.827 5.638 2.481 219 H LEU 28 HN LEU 28 41.060 10.902 -1.802 220 HA LEU 28 HA LEU 28 43.059 9.646 -3.346 221 HB2 LEU 28 HB2 LEU 28 40.829 11.456 -3.797 222 HB3 LEU 28 HB1 LEU 28 42.205 11.851 -4.827 223 HG LEU 28 HG LEU 28 42.297 9.276 -5.266 224 HD11 LEU 28 HD11 LEU 28 40.178 8.128 -5.058 225 HD12 LEU 28 HD12 LEU 28 39.382 9.597 -4.497 226 HD13 LEU 28 HD13 LEU 28 40.580 8.801 -3.479 227 HD21 LEU 28 HD21 LEU 28 40.004 10.922 -6.379 228 HD22 LEU 28 HD22 LEU 28 40.795 9.556 -7.166 229 HD23 LEU 28 HD23 LEU 28 41.680 11.060 -6.910 230 H ASN 29 HN ASN 29 42.875 12.827 -1.852 231 HA ASN 29 HA ASN 29 44.497 14.405 -1.439 232 HB2 ASN 29 HB2 ASN 29 45.877 12.260 -1.014 233 HB3 ASN 29 HB1 ASN 29 46.557 12.548 -2.614 234 HD21 ASN 29 HD21 ASN 29 48.650 13.275 -2.046 235 HD22 ASN 29 HD22 ASN 29 48.935 14.643 -1.084 236 H GLN 30 HN GLN 30 46.217 15.736 -2.628 237 HA GLN 30 HA GLN 30 45.162 16.565 -5.118 238 HB2 GLN 30 HB2 GLN 30 47.133 17.477 -3.272 239 HB3 GLN 30 HB1 GLN 30 47.864 17.435 -4.877 240 HG2 GLN 30 HG2 GLN 30 46.815 19.591 -4.625 241 HG3 GLN 30 HG1 GLN 30 45.829 18.652 -5.743 242 HE21 GLN 30 HE21 GLN 30 43.634 18.752 -5.282 243 HE22 GLN 30 HE22 GLN 30 42.972 19.000 -3.739 244 H ILE 31 HN ILE 31 47.164 13.931 -4.349 245 HA ILE 31 HA ILE 31 48.983 13.755 -6.424 246 HB ILE 31 HB ILE 31 48.362 12.127 -4.414 247 HG12 ILE 31 HG12 ILE 31 49.469 10.281 -6.081 248 HG13 ILE 31 HG11 ILE 31 49.808 11.764 -6.976 249 HG21 ILE 31 HG21 ILE 31 47.182 10.651 -6.776 250 HG22 ILE 31 HG22 ILE 31 46.183 11.526 -5.615 251 HG23 ILE 31 HG23 ILE 31 47.173 10.171 -5.080 252 HD11 ILE 31 HD11 ILE 31 50.543 11.191 -4.090 253 HD12 ILE 31 HD12 ILE 31 50.777 12.746 -4.888 254 HD13 ILE 31 HD13 ILE 31 51.657 11.324 -5.451 255 H LYS 32 HN LYS 32 45.516 13.414 -6.494 256 HA LYS 32 HA LYS 32 45.155 11.994 -8.873 257 HB2 LYS 32 HB2 LYS 32 43.237 12.452 -7.536 258 HB3 LYS 32 HB1 LYS 32 43.523 14.191 -7.592 259 HG2 LYS 32 HG2 LYS 32 42.759 14.390 -9.773 260 HG3 LYS 32 HG1 LYS 32 43.156 12.720 -10.175 261 HD2 LYS 32 HD2 LYS 32 41.153 12.964 -8.038 262 HD3 LYS 32 HD1 LYS 32 40.626 13.642 -9.579 263 HE2 LYS 32 HE2 LYS 32 41.991 10.991 -9.649 264 HE3 LYS 32 HE1 LYS 32 40.345 11.037 -9.018 265 HZ1 LYS 32 HZ1 LYS 32 40.380 10.671 -11.410 266 HZ2 LYS 32 HZ2 LYS 32 41.218 12.131 -11.638 267 HZ3 LYS 32 HZ3 LYS 32 39.631 12.145 -11.033 268 H ARG 33 HN ARG 33 45.551 12.435 -10.949 269 HA ARG 33 HA ARG 33 46.727 14.984 -11.679 270 HB2 ARG 33 HB2 ARG 33 46.153 12.459 -13.244 271 HB3 ARG 33 HB1 ARG 33 46.864 13.903 -13.966 272 HG2 ARG 33 HG2 ARG 33 48.667 13.789 -12.193 273 HG3 ARG 33 HG1 ARG 33 48.018 12.216 -11.729 274 HD2 ARG 33 HD2 ARG 33 48.369 11.400 -14.042 275 HD3 ARG 33 HD1 ARG 33 49.045 12.965 -14.486 276 HE ARG 33 HE ARG 33 50.404 11.805 -12.241 277 HH11 ARG 33 HH11 ARG 33 50.137 11.806 -15.720 278 HH12 ARG 33 HH12 ARG 33 51.741 11.207 -15.960 279 HH21 ARG 33 HH21 ARG 33 52.477 10.975 -12.586 280 HH22 ARG 33 HH22 ARG 33 53.058 10.736 -14.201 281 H1 MET 1 HT1 MET 1 2.131 -3.018 6.165 282 H2 MET 1 HT2 MET 1 2.255 -1.369 5.779 283 H3 MET 1 HT3 MET 1 3.650 -2.333 5.854 284 HA MET 1 HA MET 1 2.617 -3.706 4.008 285 HB2 MET 1 HB2 MET 1 0.717 -1.451 4.334 286 HB3 MET 1 HB1 MET 1 1.162 -1.837 2.671 287 HG2 MET 1 HG2 MET 1 0.268 -3.945 4.651 288 HG3 MET 1 HG1 MET 1 -0.857 -3.096 3.590 289 HE1 MET 1 HE1 MET 1 -0.644 -2.795 1.294 290 HE2 MET 1 HE2 MET 1 -1.479 -4.341 1.165 291 HE3 MET 1 HE3 MET 1 -0.097 -4.005 0.127 292 H PHE 2 HN PHE 2 4.939 -3.282 3.833 293 HA PHE 2 HA PHE 2 6.794 -2.365 2.830 294 HB2 PHE 2 HB2 PHE 2 4.649 -1.448 0.903 295 HB3 PHE 2 HB1 PHE 2 6.381 -1.336 0.585 296 HD1 PHE 2 HD1 PHE 2 3.497 -3.580 0.879 297 HD2 PHE 2 HD2 PHE 2 7.753 -3.375 0.345 298 HE1 PHE 2 HE1 PHE 2 3.517 -5.947 0.135 299 HE2 PHE 2 HE2 PHE 2 7.775 -5.741 -0.400 300 HZ PHE 2 HZ PHE 2 5.656 -7.026 -0.505 301 H GLU 3 HN GLU 3 6.549 -0.933 4.909 302 HA GLU 3 HA GLU 3 5.820 1.817 4.446 303 HB2 GLU 3 HB2 GLU 3 7.217 0.471 6.765 304 HB3 GLU 3 HB1 GLU 3 6.687 2.154 6.757 305 HG2 GLU 3 HG2 GLU 3 4.832 -0.185 6.240 306 HG3 GLU 3 HG1 GLU 3 5.052 0.551 7.827 307 HA PRO 4 HA PRO 4 9.713 3.299 2.891 308 HB2 PRO 4 HB2 PRO 4 9.784 5.822 3.994 309 HB3 PRO 4 HB1 PRO 4 8.809 5.384 2.578 310 HG2 PRO 4 HG2 PRO 4 7.993 5.654 5.429 311 HG3 PRO 4 HG1 PRO 4 7.140 6.154 3.957 312 HD2 PRO 4 HD2 PRO 4 6.458 3.902 5.300 313 HD3 PRO 4 HD1 PRO 4 6.335 4.009 3.529 314 H PHE 5 HN PHE 5 9.054 3.254 6.291 315 HA PHE 5 HA PHE 5 11.500 4.096 7.350 316 HB2 PHE 5 HB2 PHE 5 10.194 3.735 9.148 317 HB3 PHE 5 HB1 PHE 5 9.190 2.570 8.283 318 HD1 PHE 5 HD1 PHE 5 12.476 2.964 10.023 319 HD2 PHE 5 HD2 PHE 5 9.470 0.246 8.599 320 HE1 PHE 5 HE1 PHE 5 13.610 1.092 11.197 321 HE2 PHE 5 HE2 PHE 5 10.599 -1.622 9.774 322 HZ PHE 5 HZ PHE 5 12.672 -1.201 11.069 323 H GLN 6 HN GLN 6 10.495 0.994 6.007 324 HA GLN 6 HA GLN 6 12.714 -0.528 6.838 325 HB2 GLN 6 HB2 GLN 6 10.692 -1.545 5.896 326 HB3 GLN 6 HB1 GLN 6 11.049 -0.817 4.329 327 HG2 GLN 6 HG2 GLN 6 13.139 -2.069 4.178 328 HG3 GLN 6 HG1 GLN 6 12.887 -2.737 5.788 329 HE21 GLN 6 HE21 GLN 6 12.357 -4.908 5.491 330 HE22 GLN 6 HE22 GLN 6 11.207 -5.479 4.382 331 H ILE 7 HN ILE 7 12.207 1.474 3.947 332 HA ILE 7 HA ILE 7 14.611 0.787 2.632 333 HB ILE 7 HB ILE 7 12.942 3.301 2.512 334 HG12 ILE 7 HG12 ILE 7 13.098 0.978 0.581 335 HG13 ILE 7 HG11 ILE 7 11.906 1.060 1.881 336 HG21 ILE 7 HG21 ILE 7 14.089 3.577 0.287 337 HG22 ILE 7 HG22 ILE 7 15.191 2.281 0.753 338 HG23 ILE 7 HG23 ILE 7 15.162 3.787 1.670 339 HD11 ILE 7 HD11 ILE 7 11.080 3.204 1.007 340 HD12 ILE 7 HD12 ILE 7 10.983 1.951 -0.230 341 HD13 ILE 7 HD13 ILE 7 12.280 3.145 -0.284 342 H LEU 8 HN LEU 8 13.819 3.607 4.709 343 HA LEU 8 HA LEU 8 16.389 4.751 4.620 344 HB2 LEU 8 HB2 LEU 8 14.216 5.832 5.389 345 HB3 LEU 8 HB1 LEU 8 14.447 4.981 6.917 346 HG LEU 8 HG LEU 8 16.864 6.023 6.793 347 HD11 LEU 8 HD11 LEU 8 16.502 6.936 4.499 348 HD12 LEU 8 HD12 LEU 8 16.906 8.193 5.669 349 HD13 LEU 8 HD13 LEU 8 15.236 7.981 5.144 350 HD21 LEU 8 HD21 LEU 8 15.130 6.514 8.512 351 HD22 LEU 8 HD22 LEU 8 14.431 7.722 7.433 352 HD23 LEU 8 HD23 LEU 8 16.057 7.951 8.078 353 H SER 9 HN SER 9 14.929 2.350 6.723 354 HA SER 9 HA SER 9 16.940 2.311 8.716 355 HB2 SER 9 HB2 SER 9 14.723 1.354 9.067 356 HB3 SER 9 HB1 SER 9 15.032 0.140 7.831 357 HG SER 9 HG SER 9 15.516 -0.755 9.809 358 H ILE 10 HN ILE 10 16.388 0.177 5.899 359 HA ILE 10 HA ILE 10 18.790 -1.302 6.333 360 HB ILE 10 HB ILE 10 16.744 -2.121 5.103 361 HG12 ILE 10 HG12 ILE 10 19.284 -2.317 3.471 362 HG13 ILE 10 HG11 ILE 10 19.076 -3.148 5.013 363 HG21 ILE 10 HG21 ILE 10 17.927 -0.494 2.836 364 HG22 ILE 10 HG22 ILE 10 16.455 -0.071 3.711 365 HG23 ILE 10 HG23 ILE 10 16.515 -1.548 2.751 366 HD11 ILE 10 HD11 ILE 10 16.959 -4.168 4.064 367 HD12 ILE 10 HD12 ILE 10 18.449 -4.709 3.293 368 HD13 ILE 10 HD13 ILE 10 17.430 -3.509 2.497 369 H CYS 11 HN CYS 11 18.031 1.638 4.544 370 HA CYS 11 HA CYS 11 20.385 1.635 2.931 371 HB2 CYS 11 HB2 CYS 11 18.395 3.736 3.752 372 HB3 CYS 11 HB1 CYS 11 19.833 4.153 2.819 373 HG CYS 11 HG CYS 11 17.476 3.248 1.482 374 H SER 12 HN SER 12 19.523 3.473 5.911 375 HA SER 12 HA SER 12 22.056 4.627 6.239 376 HB2 SER 12 HB2 SER 12 20.055 5.461 7.389 377 HB3 SER 12 HB1 SER 12 19.967 3.976 8.331 378 HG SER 12 HG SER 12 21.183 5.122 9.639 379 H PHE 13 HN PHE 13 20.683 1.595 7.440 380 HA PHE 13 HA PHE 13 22.749 0.902 9.205 381 HB2 PHE 13 HB2 PHE 13 20.508 -0.225 8.998 382 HB3 PHE 13 HB1 PHE 13 21.112 -1.020 7.543 383 HD1 PHE 13 HD1 PHE 13 21.814 -0.520 11.171 384 HD2 PHE 13 HD2 PHE 13 22.476 -2.949 7.690 385 HE1 PHE 13 HE1 PHE 13 22.936 -2.224 12.576 386 HE2 PHE 13 HE2 PHE 13 23.600 -4.656 9.097 387 HZ PHE 13 HZ PHE 13 23.830 -4.293 11.540 388 H ILE 14 HN ILE 14 22.341 0.170 5.721 389 HA ILE 14 HA ILE 14 24.692 -1.370 5.439 390 HB ILE 14 HB ILE 14 23.091 0.269 3.472 391 HG12 ILE 14 HG12 ILE 14 23.440 -2.728 3.720 392 HG13 ILE 14 HG11 ILE 14 22.161 -1.849 4.555 393 HG21 ILE 14 HG21 ILE 14 25.544 -1.451 3.048 394 HG22 ILE 14 HG22 ILE 14 25.290 0.219 2.538 395 HG23 ILE 14 HG23 ILE 14 24.404 -1.088 1.752 396 HD11 ILE 14 HD11 ILE 14 22.608 -1.766 1.556 397 HD12 ILE 14 HD12 ILE 14 21.261 -1.049 2.441 398 HD13 ILE 14 HD13 ILE 14 21.427 -2.802 2.355 399 H LEU 15 HN LEU 15 24.112 2.120 4.960 400 HA LEU 15 HA LEU 15 26.741 2.734 4.100 401 HB2 LEU 15 HB2 LEU 15 24.580 4.434 5.356 402 HB3 LEU 15 HB1 LEU 15 26.077 5.082 4.686 403 HG LEU 15 HG LEU 15 24.162 3.354 3.095 404 HD11 LEU 15 HD11 LEU 15 24.437 6.367 2.946 405 HD12 LEU 15 HD12 LEU 15 23.190 5.574 3.909 406 HD13 LEU 15 HD13 LEU 15 23.227 5.352 2.161 407 HD21 LEU 15 HD21 LEU 15 25.432 4.523 1.202 408 HD22 LEU 15 HD22 LEU 15 26.355 3.343 2.133 409 HD23 LEU 15 HD23 LEU 15 26.570 5.069 2.433 410 H SER 16 HN SER 16 25.328 2.314 7.267 411 HA SER 16 HA SER 16 27.412 3.696 8.700 412 HB2 SER 16 HB2 SER 16 26.360 2.875 10.689 413 HB3 SER 16 HB1 SER 16 25.071 3.308 9.569 414 HG SER 16 HG SER 16 25.531 0.968 10.709 415 H ALA 17 HN ALA 17 26.674 0.332 7.909 416 HA ALA 17 HA ALA 17 28.815 -0.820 9.384 417 HB1 ALA 17 HB1 ALA 17 28.418 -2.740 7.667 418 HB2 ALA 17 HB2 ALA 17 27.034 -1.769 7.160 419 HB3 ALA 17 HB3 ALA 17 27.143 -2.349 8.822 420 H LEU 18 HN LEU 18 28.462 0.281 6.035 421 HA LEU 18 HA LEU 18 31.026 -0.649 5.208 422 HB2 LEU 18 HB2 LEU 18 29.132 1.399 4.027 423 HB3 LEU 18 HB1 LEU 18 30.596 0.816 3.232 424 HG LEU 18 HG LEU 18 28.354 -0.999 4.168 425 HD11 LEU 18 HD11 LEU 18 27.722 -1.136 1.784 426 HD12 LEU 18 HD12 LEU 18 28.952 0.066 1.389 427 HD13 LEU 18 HD13 LEU 18 27.567 0.516 2.383 428 HD21 LEU 18 HD21 LEU 18 29.532 -2.538 2.482 429 HD22 LEU 18 HD22 LEU 18 30.398 -2.226 3.986 430 HD23 LEU 18 HD23 LEU 18 30.860 -1.378 2.510 431 H HIS 19 HN HIS 19 29.777 2.298 6.698 432 HA HIS 19 HA HIS 19 31.992 3.971 6.129 433 HB2 HIS 19 HB2 HIS 19 29.838 4.871 6.853 434 HB3 HIS 19 HB1 HIS 19 29.992 4.038 8.400 435 HD2 HIS 19 HD2 HIS 19 31.327 5.520 10.320 436 HE1 HIS 19 HE1 HIS 19 33.077 8.371 7.745 437 HE2 HIS 19 HE2 HIS 19 32.751 7.704 10.173 438 H PHE 20 HN PHE 20 31.153 1.962 8.964 439 HA PHE 20 HA PHE 20 33.564 2.611 10.349 440 HB2 PHE 20 HB2 PHE 20 31.223 0.971 10.854 441 HB3 PHE 20 HB1 PHE 20 32.707 0.153 11.348 442 HD1 PHE 20 HD1 PHE 20 30.417 2.897 12.044 443 HD2 PHE 20 HD2 PHE 20 34.318 1.306 12.890 444 HE1 PHE 20 HE1 PHE 20 30.591 4.372 14.031 445 HE2 PHE 20 HE2 PHE 20 34.490 2.780 14.877 446 HZ PHE 20 HZ PHE 20 32.624 4.310 15.448 447 H MET 21 HN MET 21 32.665 0.246 7.957 448 HA MET 21 HA MET 21 34.763 -1.598 8.350 449 HB2 MET 21 HB2 MET 21 32.676 -1.194 6.469 450 HB3 MET 21 HB1 MET 21 34.181 -1.349 5.560 451 HG2 MET 21 HG2 MET 21 33.520 -3.587 5.827 452 HG3 MET 21 HG1 MET 21 34.656 -3.359 7.157 453 HE1 MET 21 HE1 MET 21 33.129 -5.618 7.143 454 HE2 MET 21 HE2 MET 21 31.882 -5.781 8.376 455 HE3 MET 21 HE3 MET 21 33.532 -5.386 8.850 456 H ALA 22 HN ALA 22 34.536 1.146 6.062 457 HA ALA 22 HA ALA 22 37.199 0.920 5.132 458 HB1 ALA 22 HB1 ALA 22 35.527 3.439 5.215 459 HB2 ALA 22 HB2 ALA 22 35.356 2.187 3.985 460 HB3 ALA 22 HB3 ALA 22 36.869 3.083 4.126 461 H TRP 23 HN TRP 23 35.738 2.755 7.787 462 HA TRP 23 HA TRP 23 38.006 4.304 8.422 463 HB2 TRP 23 HB2 TRP 23 35.405 3.968 9.418 464 HB3 TRP 23 HB1 TRP 23 36.484 3.611 10.769 465 HD1 TRP 23 HD1 TRP 23 35.192 6.438 8.669 466 HE1 TRP 23 HE1 TRP 23 36.261 8.652 9.449 467 HE3 TRP 23 HE3 TRP 23 38.792 4.619 11.796 468 HZ2 TRP 23 HZ2 TRP 23 38.372 9.531 11.179 469 HZ3 TRP 23 HZ3 TRP 23 40.316 6.159 12.997 470 HH2 TRP 23 HH2 TRP 23 40.110 8.611 12.693 471 H THR 24 HN THR 24 36.884 1.195 9.775 472 HA THR 24 HA THR 24 38.893 0.802 11.655 473 HB THR 24 HB THR 24 38.470 -1.711 11.084 474 HG1 THR 24 HG1 THR 24 37.174 -2.053 9.497 475 HG21 THR 24 HG21 THR 24 36.299 -1.614 12.261 476 HG22 THR 24 HG22 THR 24 36.231 0.126 11.978 477 HG23 THR 24 HG23 THR 24 37.489 -0.554 13.012 478 H ILE 25 HN ILE 25 38.834 -0.280 8.231 479 HA ILE 25 HA ILE 25 41.452 -1.379 8.346 480 HB ILE 25 HB ILE 25 39.876 -2.037 6.602 481 HG12 ILE 25 HG12 ILE 25 42.169 -0.576 5.276 482 HG13 ILE 25 HG11 ILE 25 42.433 -2.007 6.268 483 HG21 ILE 25 HG21 ILE 25 39.333 -0.491 4.766 484 HG22 ILE 25 HG22 ILE 25 40.229 0.793 5.580 485 HG23 ILE 25 HG23 ILE 25 38.763 0.135 6.311 486 HD11 ILE 25 HD11 ILE 25 41.593 -3.416 4.681 487 HD12 ILE 25 HD12 ILE 25 41.937 -2.085 3.580 488 HD13 ILE 25 HD13 ILE 25 40.306 -2.303 4.209 489 H GLY 26 HN GLY 26 40.214 1.816 7.662 490 HA2 GLY 26 HA2 GLY 26 42.505 2.993 6.542 491 HA3 GLY 26 HA1 GLY 26 41.263 3.857 7.446 492 H HIS 27 HN HIS 27 41.432 2.865 9.943 493 HA HIS 27 HA HIS 27 43.722 4.151 11.011 494 HB2 HIS 27 HB2 HIS 27 41.510 3.859 12.196 495 HB3 HIS 27 HB1 HIS 27 41.956 2.171 12.459 496 HD2 HIS 27 HD2 HIS 27 42.777 5.676 13.914 497 HE1 HIS 27 HE1 HIS 27 45.331 2.912 15.823 498 HE2 HIS 27 HE2 HIS 27 44.504 5.312 15.838 499 H LEU 28 HN LEU 28 42.973 0.792 10.272 500 HA LEU 28 HA LEU 28 45.091 -0.431 11.680 501 HB2 LEU 28 HB2 LEU 28 43.135 -1.193 9.669 502 HB3 LEU 28 HB1 LEU 28 44.695 -1.965 9.384 503 HG LEU 28 HG LEU 28 44.635 -2.460 11.950 504 HD11 LEU 28 HD11 LEU 28 42.422 -2.648 12.904 505 HD12 LEU 28 HD12 LEU 28 41.672 -2.183 11.377 506 HD13 LEU 28 HD13 LEU 28 42.606 -1.003 12.297 507 HD21 LEU 28 HD21 LEU 28 42.717 -3.893 10.087 508 HD22 LEU 28 HD22 LEU 28 43.510 -4.578 11.506 509 HD23 LEU 28 HD23 LEU 28 44.465 -4.130 10.091 510 H ASN 29 HN ASN 29 44.927 1.113 8.523 511 HA ASN 29 HA ASN 29 46.583 1.843 7.103 512 HB2 ASN 29 HB2 ASN 29 47.683 2.425 9.369 513 HB3 ASN 29 HB1 ASN 29 48.648 0.973 9.116 514 HD21 ASN 29 HD21 ASN 29 50.667 1.909 8.589 515 HD22 ASN 29 HD22 ASN 29 50.900 2.950 7.269 516 H GLN 30 HN GLN 30 48.590 1.005 5.910 517 HA GLN 30 HA GLN 30 48.047 -1.600 4.949 518 HB2 GLN 30 HB2 GLN 30 49.745 0.578 4.246 519 HB3 GLN 30 HB1 GLN 30 50.733 -0.881 4.328 520 HG2 GLN 30 HG2 GLN 30 49.845 -0.744 2.092 521 HG3 GLN 30 HG1 GLN 30 48.987 -2.041 2.921 522 HE21 GLN 30 HE21 GLN 30 46.762 -1.950 2.634 523 HE22 GLN 30 HE22 GLN 30 45.872 -0.534 2.350 524 H ILE 31 HN ILE 31 49.655 -0.590 7.763 525 HA ILE 31 HA ILE 31 51.779 -2.335 8.069 526 HB ILE 31 HB ILE 31 50.687 -0.511 9.667 527 HG12 ILE 31 HG12 ILE 31 51.902 -2.023 11.577 528 HG13 ILE 31 HG11 ILE 31 52.514 -2.802 10.116 529 HG21 ILE 31 HG21 ILE 31 49.806 -3.082 10.994 530 HG22 ILE 31 HG22 ILE 31 48.702 -2.084 10.048 531 HG23 ILE 31 HG23 ILE 31 49.465 -1.427 11.495 532 HD11 ILE 31 HD11 ILE 31 52.695 0.147 10.799 533 HD12 ILE 31 HD12 ILE 31 53.191 -0.550 9.257 534 HD13 ILE 31 HD13 ILE 31 54.033 -1.002 10.740 535 H LYS 32 HN LYS 32 48.361 -2.999 8.089 536 HA LYS 32 HA LYS 32 48.291 -5.448 9.433 537 HB2 LYS 32 HB2 LYS 32 46.218 -4.441 8.829 538 HB3 LYS 32 HB1 LYS 32 46.660 -4.389 7.121 539 HG2 LYS 32 HG2 LYS 32 46.296 -6.662 6.815 540 HG3 LYS 32 HG1 LYS 32 46.612 -7.046 8.509 541 HD2 LYS 32 HD2 LYS 32 44.303 -5.269 8.122 542 HD3 LYS 32 HD1 LYS 32 44.105 -6.855 7.375 543 HE2 LYS 32 HE2 LYS 32 45.232 -6.776 10.135 544 HE3 LYS 32 HE1 LYS 32 43.513 -6.429 9.953 545 HZ1 LYS 32 HZ1 LYS 32 43.919 -8.792 10.281 546 HZ2 LYS 32 HZ2 LYS 32 44.908 -8.831 8.900 547 HZ3 LYS 32 HZ3 LYS 32 43.248 -8.500 8.751 548 H ARG 33 HN ARG 33 49.071 -7.413 8.996 549 HA ARG 33 HA ARG 33 50.569 -7.855 6.552 550 HB2 ARG 33 HB2 ARG 33 50.055 -9.571 8.989 551 HB3 ARG 33 HB1 ARG 33 51.000 -10.117 7.605 552 HG2 ARG 33 HG2 ARG 33 52.457 -8.072 7.909 553 HG3 ARG 33 HG1 ARG 33 51.605 -7.773 9.424 554 HD2 ARG 33 HD2 ARG 33 52.273 -10.017 10.232 555 HD3 ARG 33 HD1 ARG 33 53.147 -10.292 8.728 556 HE ARG 33 HE ARG 33 53.999 -7.888 10.042 557 HH11 ARG 33 HH11 ARG 33 54.330 -11.359 9.957 558 HH12 ARG 33 HH12 ARG 33 55.896 -11.346 10.693 559 HH21 ARG 33 HH21 ARG 33 56.021 -7.906 11.048 560 HH22 ARG 33 HH22 ARG 33 56.849 -9.405 11.309 561 H1 MET 1 HT1 MET 1 1.859 2.031 19.979 562 H2 MET 1 HT2 MET 1 2.228 1.682 18.358 563 H3 MET 1 HT3 MET 1 3.477 1.975 19.472 564 HA MET 1 HA MET 1 2.606 -0.022 20.740 565 HB2 MET 1 HB2 MET 1 0.945 0.008 18.283 566 HB3 MET 1 HB1 MET 1 1.604 -1.563 18.736 567 HG2 MET 1 HG2 MET 1 0.173 0.232 20.707 568 HG3 MET 1 HG1 MET 1 -0.665 -0.988 19.750 569 HE1 MET 1 HE1 MET 1 -0.052 -3.218 19.496 570 HE2 MET 1 HE2 MET 1 -1.023 -3.498 20.940 571 HE3 MET 1 HE3 MET 1 0.539 -4.292 20.770 572 H PHE 2 HN PHE 2 4.958 0.178 20.585 573 HA PHE 2 HA PHE 2 7.042 -0.506 19.891 574 HB2 PHE 2 HB2 PHE 2 5.349 -2.743 18.758 575 HB3 PHE 2 HB1 PHE 2 7.111 -2.779 18.842 576 HD1 PHE 2 HD1 PHE 2 3.986 -2.971 20.749 577 HD2 PHE 2 HD2 PHE 2 8.270 -2.814 21.021 578 HE1 PHE 2 HE1 PHE 2 3.862 -3.721 23.110 579 HE2 PHE 2 HE2 PHE 2 8.147 -3.564 23.382 580 HZ PHE 2 HZ PHE 2 5.943 -4.018 24.426 581 H GLU 3 HN GLU 3 6.626 1.519 18.422 582 HA GLU 3 HA GLU 3 6.294 0.969 15.613 583 HB2 GLU 3 HB2 GLU 3 7.142 3.471 17.082 584 HB3 GLU 3 HB1 GLU 3 6.813 3.391 15.350 585 HG2 GLU 3 HG2 GLU 3 4.814 2.566 17.472 586 HG3 GLU 3 HG1 GLU 3 4.858 4.171 16.748 587 HA PRO 4 HA PRO 4 10.524 0.072 14.590 588 HB2 PRO 4 HB2 PRO 4 10.684 1.209 12.095 589 HB3 PRO 4 HB1 PRO 4 9.927 -0.358 12.418 590 HG2 PRO 4 HG2 PRO 4 8.688 2.319 12.033 591 HG3 PRO 4 HG1 PRO 4 8.148 0.731 11.459 592 HD2 PRO 4 HD2 PRO 4 7.011 1.932 13.607 593 HD3 PRO 4 HD1 PRO 4 7.188 0.164 13.503 594 H PHE 5 HN PHE 5 9.328 3.324 14.527 595 HA PHE 5 HA PHE 5 11.649 4.769 13.950 596 HB2 PHE 5 HB2 PHE 5 10.038 6.327 14.148 597 HB3 PHE 5 HB1 PHE 5 9.063 5.302 15.201 598 HD1 PHE 5 HD1 PHE 5 12.039 7.563 15.156 599 HD2 PHE 5 HD2 PHE 5 9.030 5.637 17.542 600 HE1 PHE 5 HE1 PHE 5 12.742 8.898 17.126 601 HE2 PHE 5 HE2 PHE 5 9.733 6.972 19.508 602 HZ PHE 5 HZ PHE 5 11.588 8.606 19.301 603 H GLN 6 HN GLN 6 10.532 3.267 16.942 604 HA GLN 6 HA GLN 6 12.413 4.421 18.686 605 HB2 GLN 6 HB2 GLN 6 10.471 3.159 19.483 606 HB3 GLN 6 HB1 GLN 6 11.151 1.675 18.812 607 HG2 GLN 6 HG2 GLN 6 13.088 1.846 20.290 608 HG3 GLN 6 HG1 GLN 6 12.510 3.391 20.911 609 HE21 GLN 6 HE21 GLN 6 11.791 2.996 23.011 610 HE22 GLN 6 HE22 GLN 6 10.778 1.710 23.460 611 H ILE 7 HN ILE 7 12.594 1.498 16.690 612 HA ILE 7 HA ILE 7 15.093 0.580 17.633 613 HB ILE 7 HB ILE 7 13.755 0.216 14.948 614 HG12 ILE 7 HG12 ILE 7 13.955 -1.686 17.293 615 HG13 ILE 7 HG11 ILE 7 12.588 -0.594 17.065 616 HG21 ILE 7 HG21 ILE 7 15.267 -1.796 14.825 617 HG22 ILE 7 HG22 ILE 7 16.129 -1.169 16.230 618 HG23 ILE 7 HG23 ILE 7 16.122 -0.256 14.719 619 HD11 ILE 7 HD11 ILE 7 12.156 -1.572 14.855 620 HD12 ILE 7 HD12 ILE 7 12.131 -2.824 16.097 621 HD13 ILE 7 HD13 ILE 7 13.540 -2.646 15.050 622 H LEU 8 HN LEU 8 14.292 2.528 14.740 623 HA LEU 8 HA LEU 8 16.959 2.862 13.876 624 HB2 LEU 8 HB2 LEU 8 14.826 3.279 12.551 625 HB3 LEU 8 HB1 LEU 8 14.711 4.817 13.406 626 HG LEU 8 HG LEU 8 17.218 5.092 12.643 627 HD11 LEU 8 HD11 LEU 8 17.333 2.777 11.719 628 HD12 LEU 8 HD12 LEU 8 17.685 4.008 10.504 629 HD13 LEU 8 HD13 LEU 8 16.107 3.222 10.530 630 HD21 LEU 8 HD21 LEU 8 15.300 6.516 11.942 631 HD22 LEU 8 HD22 LEU 8 14.918 5.349 10.676 632 HD23 LEU 8 HD23 LEU 8 16.437 6.245 10.620 633 H SER 9 HN SER 9 14.917 4.689 16.071 634 HA SER 9 HA SER 9 16.566 6.975 16.318 635 HB2 SER 9 HB2 SER 9 14.230 6.966 17.023 636 HB3 SER 9 HB1 SER 9 14.593 5.778 18.270 637 HG SER 9 HG SER 9 14.650 7.810 19.190 638 H ILE 10 HN ILE 10 16.237 4.098 18.413 639 HA ILE 10 HA ILE 10 18.360 4.891 20.144 640 HB ILE 10 HB ILE 10 16.463 3.335 20.736 641 HG12 ILE 10 HG12 ILE 10 19.195 2.134 21.231 642 HG13 ILE 10 HG11 ILE 10 18.650 3.617 22.017 643 HG21 ILE 10 HG21 ILE 10 18.176 1.309 19.268 644 HG22 ILE 10 HG22 ILE 10 16.632 1.931 18.681 645 HG23 ILE 10 HG23 ILE 10 16.690 0.979 20.164 646 HD11 ILE 10 HD11 ILE 10 16.614 2.334 22.808 647 HD12 ILE 10 HD12 ILE 10 18.139 1.804 23.516 648 HD13 ILE 10 HD13 ILE 10 17.397 0.867 22.220 649 H CYS 11 HN CYS 11 18.232 3.015 17.167 650 HA CYS 11 HA CYS 11 20.804 1.814 17.434 651 HB2 CYS 11 HB2 CYS 11 18.953 2.322 15.118 652 HB3 CYS 11 HB1 CYS 11 20.560 1.640 14.870 653 HG CYS 11 HG CYS 11 18.363 -0.068 15.526 654 H SER 12 HN SER 12 19.679 4.627 15.492 655 HA SER 12 HA SER 12 22.241 5.373 14.612 656 HB2 SER 12 HB2 SER 12 20.185 6.192 13.552 657 HB3 SER 12 HB1 SER 12 19.783 7.095 15.010 658 HG SER 12 HG SER 12 20.891 8.592 13.992 659 H PHE 13 HN PHE 13 20.362 6.316 17.466 660 HA PHE 13 HA PHE 13 22.030 8.380 18.367 661 HB2 PHE 13 HB2 PHE 13 19.742 7.802 19.240 662 HB3 PHE 13 HB1 PHE 13 20.481 6.458 20.111 663 HD1 PHE 13 HD1 PHE 13 20.639 10.155 19.658 664 HD2 PHE 13 HD2 PHE 13 21.575 6.806 22.179 665 HE1 PHE 13 HE1 PHE 13 21.322 11.709 21.467 666 HE2 PHE 13 HE2 PHE 13 22.255 8.360 23.989 667 HZ PHE 13 HZ PHE 13 22.129 10.812 23.633 668 H ILE 14 HN ILE 14 22.101 4.882 19.096 669 HA ILE 14 HA ILE 14 24.288 4.962 20.880 670 HB ILE 14 HB ILE 14 23.220 2.773 19.092 671 HG12 ILE 14 HG12 ILE 14 23.181 3.050 22.106 672 HG13 ILE 14 HG11 ILE 14 21.893 3.678 21.081 673 HG21 ILE 14 HG21 ILE 14 25.498 2.740 21.082 674 HG22 ILE 14 HG22 ILE 14 25.520 2.206 19.402 675 HG23 ILE 14 HG23 ILE 14 24.631 1.279 20.611 676 HD11 ILE 14 HD11 ILE 14 22.819 0.789 21.081 677 HD12 ILE 14 HD12 ILE 14 21.441 1.453 20.205 678 HD13 ILE 14 HD13 ILE 14 21.414 1.384 21.965 679 H LEU 15 HN LEU 15 24.175 4.427 17.369 680 HA LEU 15 HA LEU 15 26.965 4.004 17.040 681 HB2 LEU 15 HB2 LEU 15 24.834 4.907 15.096 682 HB3 LEU 15 HB1 LEU 15 26.482 4.492 14.629 683 HG LEU 15 HG LEU 15 24.663 2.602 16.146 684 HD11 LEU 15 HD11 LEU 15 25.305 2.521 13.188 685 HD12 LEU 15 HD12 LEU 15 23.837 3.263 13.820 686 HD13 LEU 15 HD13 LEU 15 24.129 1.541 14.065 687 HD21 LEU 15 HD21 LEU 15 26.348 0.946 15.151 688 HD22 LEU 15 HD22 LEU 15 26.963 2.002 16.422 689 HD23 LEU 15 HD23 LEU 15 27.331 2.351 14.733 690 H SER 16 HN SER 16 25.027 6.893 17.284 691 HA SER 16 HA SER 16 26.990 8.657 16.117 692 HB2 SER 16 HB2 SER 16 25.547 10.445 16.794 693 HB3 SER 16 HB1 SER 16 24.509 9.135 16.237 694 HG SER 16 HG SER 16 24.528 10.319 18.600 695 H ALA 17 HN ALA 17 26.013 7.737 19.389 696 HA ALA 17 HA ALA 17 27.753 9.520 20.756 697 HB1 ALA 17 HB1 ALA 17 27.430 7.740 22.633 698 HB2 ALA 17 HB2 ALA 17 26.263 7.028 21.518 699 HB3 ALA 17 HB3 ALA 17 26.035 8.678 22.097 700 H LEU 18 HN LEU 18 28.059 6.169 19.675 701 HA LEU 18 HA LEU 18 30.611 5.754 20.874 702 HB2 LEU 18 HB2 LEU 18 29.176 4.304 18.638 703 HB3 LEU 18 HB1 LEU 18 30.673 3.751 19.388 704 HG LEU 18 HG LEU 18 28.121 4.293 20.933 705 HD11 LEU 18 HD11 LEU 18 27.873 1.838 21.020 706 HD12 LEU 18 HD12 LEU 18 29.279 1.658 19.969 707 HD13 LEU 18 HD13 LEU 18 27.811 2.418 19.355 708 HD21 LEU 18 HD21 LEU 18 29.376 2.810 22.611 709 HD22 LEU 18 HD22 LEU 18 30.021 4.435 22.381 710 HD23 LEU 18 HD23 LEU 18 30.803 3.059 21.606 711 H HIS 19 HN HIS 19 29.481 7.041 17.783 712 HA HIS 19 HA HIS 19 31.931 6.859 16.384 713 HB2 HIS 19 HB2 HIS 19 29.806 7.231 15.238 714 HB3 HIS 19 HB1 HIS 19 29.608 8.775 16.067 715 HD2 HIS 19 HD2 HIS 19 30.772 10.899 14.727 716 HE1 HIS 19 HE1 HIS 19 33.232 8.671 12.118 717 HE2 HIS 19 HE2 HIS 19 32.437 11.008 12.720 718 H PHE 20 HN PHE 20 30.428 9.501 18.270 719 HA PHE 20 HA PHE 20 32.641 11.265 17.865 720 HB2 PHE 20 HB2 PHE 20 30.083 11.375 19.234 721 HB3 PHE 20 HB1 PHE 20 31.370 12.095 20.206 722 HD1 PHE 20 HD1 PHE 20 29.316 12.431 17.214 723 HD2 PHE 20 HD2 PHE 20 32.824 13.888 19.222 724 HE1 PHE 20 HE1 PHE 20 29.332 14.429 15.740 725 HE2 PHE 20 HE2 PHE 20 32.838 15.884 17.749 726 HZ PHE 20 HZ PHE 20 31.094 16.154 16.006 727 H MET 21 HN MET 21 31.875 8.751 20.154 728 HA MET 21 HA MET 21 33.672 9.452 22.206 729 HB2 MET 21 HB2 MET 21 31.972 7.263 21.589 730 HB3 MET 21 HB1 MET 21 33.578 6.607 21.922 731 HG2 MET 21 HG2 MET 21 32.628 6.745 24.067 732 HG3 MET 21 HG1 MET 21 33.558 8.240 23.957 733 HE1 MET 21 HE1 MET 21 31.802 7.961 26.026 734 HE2 MET 21 HE2 MET 21 30.365 8.980 26.034 735 HE3 MET 21 HE3 MET 21 31.955 9.712 25.828 736 H ALA 22 HN ALA 22 34.112 7.185 19.493 737 HA ALA 22 HA ALA 22 36.856 6.688 20.006 738 HB1 ALA 22 HB1 ALA 22 35.489 6.520 17.317 739 HB2 ALA 22 HB2 ALA 22 35.377 5.270 18.556 740 HB3 ALA 22 HB3 ALA 22 36.939 5.658 17.835 741 H TRP 23 HN TRP 23 35.199 9.090 17.999 742 HA TRP 23 HA TRP 23 37.496 10.093 16.703 743 HB2 TRP 23 HB2 TRP 23 34.747 10.656 16.734 744 HB3 TRP 23 HB1 TRP 23 35.548 12.158 17.197 745 HD1 TRP 23 HD1 TRP 23 34.935 9.904 14.264 746 HE1 TRP 23 HE1 TRP 23 36.107 10.863 12.176 747 HE3 TRP 23 HE3 TRP 23 37.763 13.550 16.444 748 HZ2 TRP 23 HZ2 TRP 23 37.998 12.913 11.522 749 HZ3 TRP 23 HZ3 TRP 23 39.238 14.991 15.072 750 HH2 TRP 23 HH2 TRP 23 39.360 14.678 12.615 751 H THR 24 HN THR 24 35.830 11.223 19.652 752 HA THR 24 HA THR 24 37.452 13.398 20.249 753 HB THR 24 HB THR 24 36.850 12.739 22.704 754 HG1 THR 24 HG1 THR 24 35.796 10.960 22.909 755 HG21 THR 24 HG21 THR 24 34.541 13.553 22.357 756 HG22 THR 24 HG22 THR 24 34.717 13.287 20.621 757 HG23 THR 24 HG23 THR 24 35.708 14.499 21.434 758 H ILE 25 HN ILE 25 37.820 10.007 21.359 759 HA ILE 25 HA ILE 25 40.253 10.521 22.736 760 HB ILE 25 HB ILE 25 38.913 8.542 23.228 761 HG12 ILE 25 HG12 ILE 25 41.538 7.616 22.045 762 HG13 ILE 25 HG11 ILE 25 41.474 8.625 23.486 763 HG21 ILE 25 HG21 ILE 25 38.850 6.658 21.647 764 HG22 ILE 25 HG22 ILE 25 39.738 7.618 20.463 765 HG23 ILE 25 HG23 ILE 25 38.110 8.096 20.947 766 HD11 ILE 25 HD11 ILE 25 40.753 6.909 24.808 767 HD12 ILE 25 HD12 ILE 25 41.411 5.889 23.531 768 HD13 ILE 25 HD13 ILE 25 39.686 6.248 23.565 769 H GLY 26 HN GLY 26 39.504 9.676 19.438 770 HA2 GLY 26 HA2 GLY 26 42.061 8.953 18.523 771 HA3 GLY 26 HA1 GLY 26 40.793 9.650 17.519 772 H HIS 27 HN HIS 27 40.450 12.137 18.508 773 HA HIS 27 HA HIS 27 42.666 13.569 17.468 774 HB2 HIS 27 HB2 HIS 27 40.275 14.380 17.502 775 HB3 HIS 27 HB1 HIS 27 40.481 14.697 19.226 776 HD2 HIS 27 HD2 HIS 27 41.445 16.293 15.819 777 HE1 HIS 27 HE1 HIS 27 43.326 18.571 18.833 778 HE2 HIS 27 HE2 HIS 27 42.785 18.469 16.355 779 H LEU 28 HN LEU 28 41.672 12.698 20.730 780 HA LEU 28 HA LEU 28 43.389 14.408 22.170 781 HB2 LEU 28 HB2 LEU 28 41.710 12.103 22.728 782 HB3 LEU 28 HB1 LEU 28 43.199 12.067 23.670 783 HG LEU 28 HG LEU 28 42.674 14.585 24.134 784 HD11 LEU 28 HD11 LEU 28 40.330 15.170 24.064 785 HD12 LEU 28 HD12 LEU 28 39.892 13.547 23.530 786 HD13 LEU 28 HD13 LEU 28 40.793 14.616 22.455 787 HD21 LEU 28 HD21 LEU 28 40.930 12.425 25.360 788 HD22 LEU 28 HD22 LEU 28 41.404 13.945 26.116 789 HD23 LEU 28 HD23 LEU 28 42.616 12.707 25.790 790 H ASN 29 HN ASN 29 43.910 11.278 20.649 791 HA ASN 29 HA ASN 29 45.844 10.148 20.125 792 HB2 ASN 29 HB2 ASN 29 46.623 12.567 19.641 793 HB3 ASN 29 HB1 ASN 29 47.447 12.464 21.195 794 HD21 ASN 29 HD21 ASN 29 49.617 12.275 20.497 795 HD22 ASN 29 HD22 ASN 29 50.174 11.017 19.504 796 H GLN 30 HN GLN 30 47.908 9.290 21.193 797 HA GLN 30 HA GLN 30 47.241 8.234 23.729 798 HB2 GLN 30 HB2 GLN 30 49.265 7.832 21.763 799 HB3 GLN 30 HB1 GLN 30 50.054 8.059 23.324 800 HG2 GLN 30 HG2 GLN 30 49.559 5.710 23.106 801 HG3 GLN 30 HG1 GLN 30 48.438 6.378 24.289 802 HE21 GLN 30 HE21 GLN 30 46.314 5.737 23.951 803 HE22 GLN 30 HE22 GLN 30 45.646 5.327 22.446 804 H ILE 31 HN ILE 31 48.480 11.277 22.877 805 HA ILE 31 HA ILE 31 50.318 11.907 24.845 806 HB ILE 31 HB ILE 31 49.193 13.324 22.894 807 HG12 ILE 31 HG12 ILE 31 49.907 15.392 24.514 808 HG13 ILE 31 HG11 ILE 31 50.656 14.043 25.370 809 HG21 ILE 31 HG21 ILE 31 47.828 14.469 25.340 810 HG22 ILE 31 HG22 ILE 31 47.009 13.368 24.232 811 HG23 ILE 31 HG23 ILE 31 47.598 14.924 23.651 812 HD11 ILE 31 HD11 ILE 31 51.052 14.770 22.454 813 HD12 ILE 31 HD12 ILE 31 51.709 13.322 23.218 814 HD13 ILE 31 HD13 ILE 31 52.245 14.917 23.746 815 H LYS 32 HN LYS 32 46.888 11.373 25.124 816 HA LYS 32 HA LYS 32 46.327 12.665 27.533 817 HB2 LYS 32 HB2 LYS 32 44.504 11.744 26.308 818 HB3 LYS 32 HB1 LYS 32 45.218 10.131 26.324 819 HG2 LYS 32 HG2 LYS 32 44.658 9.751 28.545 820 HG3 LYS 32 HG1 LYS 32 44.651 11.470 28.944 821 HD2 LYS 32 HD2 LYS 32 42.649 10.730 26.924 822 HD3 LYS 32 HD1 LYS 32 42.398 9.948 28.486 823 HE2 LYS 32 HE2 LYS 32 43.066 12.854 28.508 824 HE3 LYS 32 HE1 LYS 32 41.449 12.400 27.969 825 HZ1 LYS 32 HZ1 LYS 32 41.524 12.769 30.360 826 HZ2 LYS 32 HZ2 LYS 32 42.715 11.567 30.525 827 HZ3 LYS 32 HZ3 LYS 32 41.150 11.152 30.009 828 H ARG 33 HN ARG 33 46.941 12.342 29.580 829 HA ARG 33 HA ARG 33 48.752 10.165 30.210 830 HB2 ARG 33 HB2 ARG 33 47.666 12.474 31.837 831 HB3 ARG 33 HB1 ARG 33 48.754 11.253 32.496 832 HG2 ARG 33 HG2 ARG 33 50.364 11.808 30.624 833 HG3 ARG 33 HG1 ARG 33 49.317 13.168 30.216 834 HD2 ARG 33 HD2 ARG 33 49.591 14.056 32.512 835 HD3 ARG 33 HD1 ARG 33 50.657 12.710 32.899 836 HE ARG 33 HE ARG 33 51.553 14.163 30.592 837 HH11 ARG 33 HH11 ARG 33 51.504 14.103 34.079 838 HH12 ARG 33 HH12 ARG 33 52.920 15.082 34.232 839 HH21 ARG 33 HH21 ARG 33 53.372 15.479 30.825 840 HH22 ARG 33 HH22 ARG 33 53.974 15.859 32.404 841 H1 MET 1 HT1 MET 1 -0.035 16.710 15.517 842 H2 MET 1 HT2 MET 1 0.499 15.134 15.862 843 H3 MET 1 HT3 MET 1 1.621 16.401 15.707 844 HA MET 1 HA MET 1 0.427 17.488 17.646 845 HB2 MET 1 HB2 MET 1 -0.902 14.846 17.411 846 HB3 MET 1 HB1 MET 1 -0.442 15.323 19.046 847 HG2 MET 1 HG2 MET 1 -1.949 17.162 17.176 848 HG3 MET 1 HG1 MET 1 -2.764 16.067 18.293 849 HE1 MET 1 HE1 MET 1 -2.323 15.815 20.561 850 HE2 MET 1 HE2 MET 1 -3.486 17.118 20.788 851 HE3 MET 1 HE3 MET 1 -1.988 17.112 21.716 852 H PHE 2 HN PHE 2 2.789 17.632 17.654 853 HA PHE 2 HA PHE 2 4.876 17.180 18.508 854 HB2 PHE 2 HB2 PHE 2 3.153 15.771 20.558 855 HB3 PHE 2 HB1 PHE 2 4.880 16.072 20.755 856 HD1 PHE 2 HD1 PHE 2 1.533 17.572 20.704 857 HD2 PHE 2 HD2 PHE 2 5.747 18.375 20.944 858 HE1 PHE 2 HE1 PHE 2 1.050 19.872 21.494 859 HE2 PHE 2 HE2 PHE 2 5.263 20.675 21.735 860 HZ PHE 2 HZ PHE 2 2.915 21.424 22.010 861 H GLU 3 HN GLU 3 4.826 15.739 16.421 862 HA GLU 3 HA GLU 3 4.809 12.892 16.875 863 HB2 GLU 3 HB2 GLU 3 5.675 14.542 14.495 864 HB3 GLU 3 HB1 GLU 3 5.561 12.780 14.503 865 HG2 GLU 3 HG2 GLU 3 3.248 14.609 15.196 866 HG3 GLU 3 HG1 GLU 3 3.521 13.953 13.583 867 HA PRO 4 HA PRO 4 9.045 12.372 18.124 868 HB2 PRO 4 HB2 PRO 4 9.633 9.946 16.962 869 HB3 PRO 4 HB1 PRO 4 8.689 10.131 18.453 870 HG2 PRO 4 HG2 PRO 4 7.754 9.689 15.660 871 HG3 PRO 4 HG1 PRO 4 7.154 8.992 17.176 872 HD2 PRO 4 HD2 PRO 4 5.860 11.025 15.934 873 HD3 PRO 4 HD1 PRO 4 5.896 10.881 17.707 874 H PHE 5 HN PHE 5 8.148 12.271 14.780 875 HA PHE 5 HA PHE 5 10.638 12.043 13.532 876 HB2 PHE 5 HB2 PHE 5 9.150 12.089 11.842 877 HB3 PHE 5 HB1 PHE 5 7.969 12.982 12.802 878 HD1 PHE 5 HD1 PHE 5 11.107 13.378 10.812 879 HD2 PHE 5 HD2 PHE 5 7.669 15.308 12.515 880 HE1 PHE 5 HE1 PHE 5 11.667 15.462 9.588 881 HE2 PHE 5 HE2 PHE 5 8.229 17.389 11.292 882 HZ PHE 5 HZ PHE 5 10.229 17.467 9.827 883 H GLN 6 HN GLN 6 9.027 14.813 15.003 884 HA GLN 6 HA GLN 6 10.762 16.819 14.061 885 HB2 GLN 6 HB2 GLN 6 8.630 17.327 15.156 886 HB3 GLN 6 HB1 GLN 6 9.254 16.695 16.679 887 HG2 GLN 6 HG2 GLN 6 10.998 18.404 16.722 888 HG3 GLN 6 HG1 GLN 6 10.487 19.001 15.145 889 HE21 GLN 6 HE21 GLN 6 9.473 20.981 15.512 890 HE22 GLN 6 HE22 GLN 6 8.304 21.259 16.711 891 H ILE 7 HN ILE 7 10.949 14.741 16.939 892 HA ILE 7 HA ILE 7 13.210 15.978 18.098 893 HB ILE 7 HB ILE 7 12.199 13.137 18.280 894 HG12 ILE 7 HG12 ILE 7 11.937 15.419 20.246 895 HG13 ILE 7 HG11 ILE 7 10.709 15.061 19.029 896 HG21 ILE 7 HG21 ILE 7 13.534 13.135 20.415 897 HG22 ILE 7 HG22 ILE 7 14.265 14.656 19.898 898 HG23 ILE 7 HG23 ILE 7 14.525 13.186 18.957 899 HD11 ILE 7 HD11 ILE 7 10.476 12.782 19.913 900 HD12 ILE 7 HD12 ILE 7 10.184 13.969 21.185 901 HD13 ILE 7 HD13 ILE 7 11.723 13.112 21.114 902 H LEU 8 HN LEU 8 12.965 13.052 16.027 903 HA LEU 8 HA LEU 8 15.730 12.562 15.913 904 HB2 LEU 8 HB2 LEU 8 13.827 10.999 15.271 905 HB3 LEU 8 HB1 LEU 8 13.739 11.884 13.749 906 HG LEU 8 HG LEU 8 16.338 11.442 13.685 907 HD11 LEU 8 HD11 LEU 8 16.358 10.462 15.982 908 HD12 LEU 8 HD12 LEU 8 16.974 9.346 14.763 909 HD13 LEU 8 HD13 LEU 8 15.341 9.147 15.397 910 HD21 LEU 8 HD21 LEU 8 14.649 10.559 12.080 911 HD22 LEU 8 HD22 LEU 8 14.335 9.217 13.180 912 HD23 LEU 8 HD23 LEU 8 15.918 9.382 12.421 913 H SER 9 HN SER 9 13.590 14.544 13.955 914 HA SER 9 HA SER 9 15.388 15.075 11.835 915 HB2 SER 9 HB2 SER 9 12.987 15.481 11.649 916 HB3 SER 9 HB1 SER 9 13.084 16.723 12.893 917 HG SER 9 HG SER 9 13.201 17.712 10.898 918 H ILE 10 HN ILE 10 14.548 17.009 14.725 919 HA ILE 10 HA ILE 10 16.495 19.019 14.161 920 HB ILE 10 HB ILE 10 14.407 19.321 15.550 921 HG12 ILE 10 HG12 ILE 10 16.942 20.110 17.002 922 HG13 ILE 10 HG11 ILE 10 16.432 20.871 15.495 923 HG21 ILE 10 HG21 ILE 10 16.110 18.014 17.691 924 HG22 ILE 10 HG22 ILE 10 14.718 17.256 16.916 925 HG23 ILE 10 HG23 ILE 10 14.499 18.702 17.902 926 HD11 ILE 10 HD11 ILE 10 14.209 21.357 16.609 927 HD12 ILE 10 HD12 ILE 10 15.580 22.235 17.283 928 HD13 ILE 10 HD13 ILE 10 14.934 20.826 18.126 929 H CYS 11 HN CYS 11 16.593 15.970 15.930 930 HA CYS 11 HA CYS 11 18.988 16.535 17.378 931 HB2 CYS 11 HB2 CYS 11 17.500 14.023 16.652 932 HB3 CYS 11 HB1 CYS 11 19.061 13.958 17.473 933 HG CYS 11 HG CYS 11 16.651 14.279 18.984 934 H SER 12 HN SER 12 18.374 14.542 14.433 935 HA SER 12 HA SER 12 21.075 14.036 13.900 936 HB2 SER 12 HB2 SER 12 19.252 12.756 12.877 937 HB3 SER 12 HB1 SER 12 18.743 14.183 11.979 938 HG SER 12 HG SER 12 20.094 13.365 10.561 939 H PHE 13 HN PHE 13 18.938 16.658 12.858 940 HA PHE 13 HA PHE 13 20.648 17.835 10.973 941 HB2 PHE 13 HB2 PHE 13 18.223 18.396 11.363 942 HB3 PHE 13 HB1 PHE 13 18.728 19.304 12.789 943 HD1 PHE 13 HD1 PHE 13 19.268 19.001 9.113 944 HD2 PHE 13 HD2 PHE 13 19.573 21.506 12.589 945 HE1 PHE 13 HE1 PHE 13 19.849 20.931 7.670 946 HE2 PHE 13 HE2 PHE 13 20.155 23.436 11.145 947 HZ PHE 13 HZ PHE 13 20.293 23.149 8.686 948 H ILE 14 HN ILE 14 20.329 18.437 14.490 949 HA ILE 14 HA ILE 14 22.265 20.487 14.641 950 HB ILE 14 HB ILE 14 21.247 18.509 16.683 951 HG12 ILE 14 HG12 ILE 14 20.850 21.503 16.475 952 HG13 ILE 14 HG11 ILE 14 19.763 20.347 15.707 953 HG21 ILE 14 HG21 ILE 14 23.245 20.764 16.963 954 HG22 ILE 14 HG22 ILE 14 23.431 19.083 17.464 955 HG23 ILE 14 HG23 ILE 14 22.322 20.144 18.331 956 HD11 ILE 14 HD11 ILE 14 20.425 20.360 18.667 957 HD12 ILE 14 HD12 ILE 14 19.234 19.342 17.859 958 HD13 ILE 14 HD13 ILE 14 18.975 21.084 17.968 959 H LEU 15 HN LEU 15 22.566 16.956 15.086 960 HA LEU 15 HA LEU 15 25.318 16.986 15.748 961 HB2 LEU 15 HB2 LEU 15 23.539 14.823 14.610 962 HB3 LEU 15 HB1 LEU 15 25.192 14.549 15.162 963 HG LEU 15 HG LEU 15 23.036 15.764 16.914 964 HD11 LEU 15 HD11 LEU 15 24.034 12.905 16.984 965 HD12 LEU 15 HD12 LEU 15 22.568 13.379 16.127 966 HD13 LEU 15 HD13 LEU 15 22.677 13.599 17.873 967 HD21 LEU 15 HD21 LEU 15 24.679 14.930 18.694 968 HD22 LEU 15 HD22 LEU 15 25.224 16.299 17.725 969 HD23 LEU 15 HD23 LEU 15 25.825 14.678 17.377 970 H SER 16 HN SER 16 23.618 17.061 12.696 971 HA SER 16 HA SER 16 25.860 16.226 11.094 972 HB2 SER 16 HB2 SER 16 24.502 16.780 9.201 973 HB3 SER 16 HB1 SER 16 23.434 16.055 10.400 974 HG SER 16 HG SER 16 23.250 18.438 9.275 975 H ALA 17 HN ALA 17 24.400 19.316 11.998 976 HA ALA 17 HA ALA 17 26.097 20.952 10.412 977 HB1 ALA 17 HB1 ALA 17 25.381 22.711 12.196 978 HB2 ALA 17 HB2 ALA 17 24.309 21.436 12.774 979 HB3 ALA 17 HB3 ALA 17 24.155 22.038 11.123 980 H LEU 18 HN LEU 18 26.260 19.784 13.753 981 HA LEU 18 HA LEU 18 28.585 21.295 14.417 982 HB2 LEU 18 HB2 LEU 18 27.323 18.851 15.685 983 HB3 LEU 18 HB1 LEU 18 28.659 19.762 16.387 984 HG LEU 18 HG LEU 18 25.990 20.994 15.651 985 HD11 LEU 18 HD11 LEU 18 25.518 20.964 18.073 986 HD12 LEU 18 HD12 LEU 18 27.025 20.093 18.358 987 HD13 LEU 18 HD13 LEU 18 25.721 19.326 17.452 988 HD21 LEU 18 HD21 LEU 18 26.888 22.763 17.280 989 HD22 LEU 18 HD22 LEU 18 27.692 22.671 15.715 990 HD23 LEU 18 HD23 LEU 18 28.447 21.952 17.137 991 H HIS 19 HN HIS 19 27.968 18.145 12.949 992 HA HIS 19 HA HIS 19 30.550 17.040 13.337 993 HB2 HIS 19 HB2 HIS 19 28.623 15.658 12.743 994 HB3 HIS 19 HB1 HIS 19 28.463 16.510 11.209 995 HD2 HIS 19 HD2 HIS 19 29.962 15.390 9.169 996 HE1 HIS 19 HE1 HIS 19 32.527 13.033 11.554 997 HE2 HIS 19 HE2 HIS 19 31.870 13.608 9.169 998 H PHE 20 HN PHE 20 29.056 18.798 10.604 999 HA PHE 20 HA PHE 20 31.446 18.752 9.045 1000 HB2 PHE 20 HB2 PHE 20 28.753 19.791 8.736 1001 HB3 PHE 20 HB1 PHE 20 29.962 20.939 8.157 1002 HD1 PHE 20 HD1 PHE 20 28.343 17.729 7.572 1003 HD2 PHE 20 HD2 PHE 20 31.682 20.207 6.481 1004 HE1 PHE 20 HE1 PHE 20 28.717 16.343 5.549 1005 HE2 PHE 20 HE2 PHE 20 32.052 18.820 4.459 1006 HZ PHE 20 HZ PHE 20 30.565 16.888 3.992 1007 H MET 21 HN MET 21 30.185 20.829 11.539 1008 HA MET 21 HA MET 21 31.756 23.117 11.044 1009 HB2 MET 21 HB2 MET 21 29.965 22.220 13.056 1010 HB3 MET 21 HB1 MET 21 31.452 22.726 13.861 1011 HG2 MET 21 HG2 MET 21 30.256 24.741 13.688 1012 HG3 MET 21 HG1 MET 21 31.316 24.799 12.279 1013 HE1 MET 21 HE1 MET 21 29.294 26.624 12.448 1014 HE2 MET 21 HE2 MET 21 27.962 26.488 11.303 1015 HE3 MET 21 HE3 MET 21 29.623 26.504 10.714 1016 H ALA 22 HN ALA 22 32.353 20.392 13.286 1017 HA ALA 22 HA ALA 22 34.947 21.246 14.030 1018 HB1 ALA 22 HB1 ALA 22 33.926 18.402 14.019 1019 HB2 ALA 22 HB2 ALA 22 33.550 19.576 15.280 1020 HB3 ALA 22 HB3 ALA 22 35.219 19.069 15.015 1021 H TRP 23 HN TRP 23 33.771 19.129 11.448 1022 HA TRP 23 HA TRP 23 36.290 18.162 10.624 1023 HB2 TRP 23 HB2 TRP 23 33.618 17.872 9.818 1024 HB3 TRP 23 HB1 TRP 23 34.481 18.480 8.404 1025 HD1 TRP 23 HD1 TRP 23 34.051 15.419 10.526 1026 HE1 TRP 23 HE1 TRP 23 35.555 13.526 9.625 1027 HE3 TRP 23 HE3 TRP 23 36.884 18.057 7.199 1028 HZ2 TRP 23 HZ2 TRP 23 37.684 13.183 7.738 1029 HZ3 TRP 23 HZ3 TRP 23 38.640 16.929 5.864 1030 HH2 TRP 23 HH2 TRP 23 39.044 14.497 6.129 1031 H THR 24 HN THR 24 34.366 20.914 9.407 1032 HA THR 24 HA THR 24 36.085 21.784 7.409 1033 HB THR 24 HB THR 24 35.122 24.120 8.066 1034 HG1 THR 24 HG1 THR 24 33.895 24.136 9.743 1035 HG21 THR 24 HG21 THR 24 32.955 23.517 7.039 1036 HG22 THR 24 HG22 THR 24 33.325 21.810 7.283 1037 HG23 THR 24 HG23 THR 24 34.307 22.778 6.183 1038 H ILE 25 HN ILE 25 36.015 22.808 10.848 1039 HA ILE 25 HA ILE 25 38.287 24.496 10.583 1040 HB ILE 25 HB ILE 25 36.728 24.751 12.445 1041 HG12 ILE 25 HG12 ILE 25 39.393 23.875 13.574 1042 HG13 ILE 25 HG11 ILE 25 39.234 25.331 12.599 1043 HG21 ILE 25 HG21 ILE 25 36.707 23.112 14.280 1044 HG22 ILE 25 HG22 ILE 25 37.815 22.082 13.376 1045 HG23 ILE 25 HG23 ILE 25 36.186 22.376 12.767 1046 HD11 ILE 25 HD11 ILE 25 38.205 26.493 14.273 1047 HD12 ILE 25 HD12 ILE 25 38.931 25.274 15.318 1048 HD13 ILE 25 HD13 ILE 25 37.254 25.106 14.805 1049 H GLY 26 HN GLY 26 37.897 21.091 11.281 1050 HA2 GLY 26 HA2 GLY 26 40.478 20.494 12.214 1051 HA3 GLY 26 HA1 GLY 26 39.415 19.362 11.382 1052 H HIS 27 HN HIS 27 39.160 20.377 8.901 1053 HA HIS 27 HA HIS 27 41.604 19.677 7.648 1054 HB2 HIS 27 HB2 HIS 27 39.309 19.439 6.627 1055 HB3 HIS 27 HB1 HIS 27 39.319 21.185 6.369 1056 HD2 HIS 27 HD2 HIS 27 40.846 17.979 4.791 1057 HE1 HIS 27 HE1 HIS 27 42.511 21.283 2.754 1058 HE2 HIS 27 HE2 HIS 27 42.288 18.753 2.755 1059 H LEU 28 HN LEU 28 40.132 22.758 8.499 1060 HA LEU 28 HA LEU 28 41.794 24.457 6.984 1061 HB2 LEU 28 HB2 LEU 28 39.863 24.723 9.142 1062 HB3 LEU 28 HB1 LEU 28 41.213 25.840 9.335 1063 HG LEU 28 HG LEU 28 40.854 26.325 6.791 1064 HD11 LEU 28 HD11 LEU 28 38.598 25.985 5.995 1065 HD12 LEU 28 HD12 LEU 28 38.090 25.348 7.560 1066 HD13 LEU 28 HD13 LEU 28 39.208 24.428 6.553 1067 HD21 LEU 28 HD21 LEU 28 38.789 27.249 8.814 1068 HD22 LEU 28 HD22 LEU 28 39.296 28.111 7.360 1069 HD23 LEU 28 HD23 LEU 28 40.426 27.893 8.696 1070 H ASN 29 HN ASN 29 42.229 22.909 10.115 1071 HA ASN 29 HA ASN 29 44.110 22.589 11.400 1072 HB2 ASN 29 HB2 ASN 29 45.149 22.288 9.051 1073 HB3 ASN 29 HB1 ASN 29 45.757 23.928 9.264 1074 HD21 ASN 29 HD21 ASN 29 47.974 23.504 9.630 1075 HD22 ASN 29 HD22 ASN 29 48.543 22.545 10.910 1076 H GLN 30 HN GLN 30 45.943 23.875 12.464 1077 HA GLN 30 HA GLN 30 44.871 26.274 13.515 1078 HB2 GLN 30 HB2 GLN 30 47.085 24.559 14.051 1079 HB3 GLN 30 HB1 GLN 30 47.688 26.212 13.933 1080 HG2 GLN 30 HG2 GLN 30 47.024 25.852 16.223 1081 HG3 GLN 30 HG1 GLN 30 45.826 26.912 15.485 1082 HE21 GLN 30 HE21 GLN 30 43.713 26.296 15.924 1083 HE22 GLN 30 HE22 GLN 30 43.205 24.706 16.234 1084 H ILE 31 HN ILE 31 46.463 25.687 10.575 1085 HA ILE 31 HA ILE 31 48.087 27.886 10.160 1086 HB ILE 31 HB ILE 31 47.347 25.861 8.603 1087 HG12 ILE 31 HG12 ILE 31 48.025 27.631 6.647 1088 HG13 ILE 31 HG11 ILE 31 48.541 28.522 8.080 1089 HG21 ILE 31 HG21 ILE 31 45.786 28.154 7.397 1090 HG22 ILE 31 HG22 ILE 31 45.024 26.914 8.393 1091 HG23 ILE 31 HG23 ILE 31 45.815 26.468 6.883 1092 HD11 ILE 31 HD11 ILE 31 49.360 25.704 7.318 1093 HD12 ILE 31 HD12 ILE 31 49.793 26.493 8.835 1094 HD13 ILE 31 HD13 ILE 31 50.390 27.136 7.304 1095 H LYS 32 HN LYS 32 44.615 27.716 10.385 1096 HA LYS 32 HA LYS 32 43.868 30.084 9.104 1097 HB2 LYS 32 HB2 LYS 32 42.144 28.609 9.832 1098 HB3 LYS 32 HB1 LYS 32 42.708 28.661 11.503 1099 HG2 LYS 32 HG2 LYS 32 41.840 30.779 11.878 1100 HG3 LYS 32 HG1 LYS 32 41.930 31.232 10.175 1101 HD2 LYS 32 HD2 LYS 32 40.143 28.956 10.687 1102 HD3 LYS 32 HD1 LYS 32 39.630 30.447 11.480 1103 HE2 LYS 32 HE2 LYS 32 40.538 30.650 8.646 1104 HE3 LYS 32 HE1 LYS 32 38.968 29.901 8.941 1105 HZ1 LYS 32 HZ1 LYS 32 38.779 32.295 8.635 1106 HZ2 LYS 32 HZ2 LYS 32 39.827 32.563 9.944 1107 HZ3 LYS 32 HZ3 LYS 32 38.309 31.846 10.202 1108 H ARG 33 HN ARG 33 44.187 32.179 9.530 1109 HA ARG 33 HA ARG 33 45.711 32.951 11.874 1110 HB2 ARG 33 HB2 ARG 33 44.633 34.509 9.516 1111 HB3 ARG 33 HB1 ARG 33 45.517 35.257 10.844 1112 HG2 ARG 33 HG2 ARG 33 47.393 33.617 10.395 1113 HG3 ARG 33 HG1 ARG 33 46.529 33.130 8.937 1114 HD2 ARG 33 HD2 ARG 33 46.587 35.474 8.133 1115 HD3 ARG 33 HD1 ARG 33 47.476 35.941 9.580 1116 HE ARG 33 HE ARG 33 48.777 33.815 8.158 1117 HH11 ARG 33 HH11 ARG 33 48.282 37.265 8.292 1118 HH12 ARG 33 HH12 ARG 33 49.748 37.627 7.449 1119 HH21 ARG 33 HH21 ARG 33 50.659 34.317 7.015 1120 HH22 ARG 33 HH22 ARG 33 51.086 35.971 6.728 Start of MODEL 7 1 H1 MET 1 HT1 MET 1 5.526 13.376 -0.163 2 H2 MET 1 HT2 MET 1 6.205 13.067 -1.689 3 H3 MET 1 HT3 MET 1 4.517 13.104 -1.498 4 HA MET 1 HA MET 1 6.418 15.298 -1.739 5 HB2 MET 1 HB2 MET 1 3.723 14.493 -2.704 6 HB3 MET 1 HB1 MET 1 4.017 16.223 -2.532 7 HG2 MET 1 HG2 MET 1 5.917 14.379 -3.994 8 HG3 MET 1 HG1 MET 1 4.610 15.245 -4.802 9 HE1 MET 1 HE1 MET 1 5.439 18.649 -5.193 10 HE2 MET 1 HE2 MET 1 4.632 18.402 -3.646 11 HE3 MET 1 HE3 MET 1 4.221 17.378 -5.019 12 H PHE 2 HN PHE 2 3.678 14.281 0.216 13 HA PHE 2 HA PHE 2 3.862 16.804 1.745 14 HB2 PHE 2 HB2 PHE 2 1.611 15.019 1.013 15 HB3 PHE 2 HB1 PHE 2 1.574 15.686 2.646 16 HD1 PHE 2 HD1 PHE 2 0.775 16.309 -0.749 17 HD2 PHE 2 HD2 PHE 2 2.142 18.260 2.825 18 HE1 PHE 2 HE1 PHE 2 0.018 18.494 -1.651 19 HE2 PHE 2 HE2 PHE 2 1.386 20.443 1.925 20 HZ PHE 2 HZ PHE 2 0.324 20.559 -0.314 21 H GLU 3 HN GLU 3 5.124 13.812 1.818 22 HA GLU 3 HA GLU 3 4.560 13.262 4.618 23 HB2 GLU 3 HB2 GLU 3 6.156 11.766 2.535 24 HB3 GLU 3 HB1 GLU 3 6.016 11.261 4.220 25 HG2 GLU 3 HG2 GLU 3 3.557 11.216 4.000 26 HG3 GLU 3 HG1 GLU 3 3.706 11.685 2.307 27 HA PRO 4 HA PRO 4 8.191 15.614 5.814 28 HB2 PRO 4 HB2 PRO 4 8.381 14.654 8.395 29 HB3 PRO 4 HB1 PRO 4 7.246 15.917 7.885 30 HG2 PRO 4 HG2 PRO 4 6.771 13.006 8.308 31 HG3 PRO 4 HG1 PRO 4 5.750 14.392 8.727 32 HD2 PRO 4 HD2 PRO 4 5.265 12.856 6.550 33 HD3 PRO 4 HD1 PRO 4 4.910 14.595 6.580 34 H PHE 5 HN PHE 5 7.947 12.142 6.093 35 HA PHE 5 HA PHE 5 10.593 11.532 6.831 36 HB2 PHE 5 HB2 PHE 5 9.566 9.538 6.908 37 HB3 PHE 5 HB1 PHE 5 8.264 10.098 5.859 38 HD1 PHE 5 HD1 PHE 5 11.648 8.592 5.938 39 HD2 PHE 5 HD2 PHE 5 8.315 9.721 3.478 40 HE1 PHE 5 HE1 PHE 5 12.603 7.298 4.049 41 HE2 PHE 5 HE2 PHE 5 9.269 8.428 1.589 42 HZ PHE 5 HZ PHE 5 11.415 7.218 1.875 43 H GLN 6 HN GLN 6 9.107 12.308 3.745 44 HA GLN 6 HA GLN 6 11.217 11.458 2.069 45 HB2 GLN 6 HB2 GLN 6 9.012 13.478 1.762 46 HB3 GLN 6 HB1 GLN 6 10.229 13.252 0.504 47 HG2 GLN 6 HG2 GLN 6 8.762 10.895 1.667 48 HG3 GLN 6 HG1 GLN 6 8.053 11.844 0.364 49 HE21 GLN 6 HE21 GLN 6 9.035 11.710 -1.754 50 HE22 GLN 6 HE22 GLN 6 10.236 10.568 -2.117 51 H ILE 7 HN ILE 7 10.622 14.485 3.797 52 HA ILE 7 HA ILE 7 12.694 15.990 2.586 53 HB ILE 7 HB ILE 7 11.389 16.220 5.304 54 HG12 ILE 7 HG12 ILE 7 10.986 17.881 2.806 55 HG13 ILE 7 HG11 ILE 7 9.988 16.478 3.190 56 HG21 ILE 7 HG21 ILE 7 13.524 17.353 5.391 57 HG22 ILE 7 HG22 ILE 7 12.275 18.580 5.185 58 HG23 ILE 7 HG23 ILE 7 13.253 18.080 3.806 59 HD11 ILE 7 HD11 ILE 7 9.132 18.797 3.951 60 HD12 ILE 7 HD12 ILE 7 10.381 18.702 5.195 61 HD13 ILE 7 HD13 ILE 7 9.102 17.488 5.131 62 H LEU 8 HN LEU 8 12.577 14.219 5.696 63 HA LEU 8 HA LEU 8 15.286 14.701 6.359 64 HB2 LEU 8 HB2 LEU 8 13.532 13.968 7.975 65 HB3 LEU 8 HB1 LEU 8 13.558 12.371 7.227 66 HG LEU 8 HG LEU 8 16.075 12.347 7.701 67 HD11 LEU 8 HD11 LEU 8 16.408 14.724 8.110 68 HD12 LEU 8 HD12 LEU 8 16.766 13.840 9.595 69 HD13 LEU 8 HD13 LEU 8 15.234 14.696 9.427 70 HD21 LEU 8 HD21 LEU 8 14.238 12.499 10.112 71 HD22 LEU 8 HD22 LEU 8 15.742 11.585 9.988 72 HD23 LEU 8 HD23 LEU 8 14.340 11.112 9.029 73 H SER 9 HN SER 9 13.694 12.200 4.487 74 HA SER 9 HA SER 9 15.905 10.410 4.343 75 HB2 SER 9 HB2 SER 9 14.663 9.341 2.539 76 HB3 SER 9 HB1 SER 9 13.564 9.750 3.853 77 HG SER 9 HG SER 9 13.645 10.650 1.283 78 H ILE 10 HN ILE 10 14.656 12.883 2.120 79 HA ILE 10 HA ILE 10 16.619 12.560 0.127 80 HB ILE 10 HB ILE 10 14.858 14.885 0.875 81 HG12 ILE 10 HG12 ILE 10 14.041 12.659 -0.213 82 HG13 ILE 10 HG11 ILE 10 13.525 14.184 -0.934 83 HG21 ILE 10 HG21 ILE 10 15.600 15.713 -1.480 84 HG22 ILE 10 HG22 ILE 10 17.003 14.671 -1.242 85 HG23 ILE 10 HG23 ILE 10 16.687 15.999 -0.122 86 HD11 ILE 10 HD11 ILE 10 15.059 13.997 -2.723 87 HD12 ILE 10 HD12 ILE 10 14.446 12.354 -2.526 88 HD13 ILE 10 HD13 ILE 10 16.031 12.787 -1.883 89 H CYS 11 HN CYS 11 16.506 14.590 3.038 90 HA CYS 11 HA CYS 11 18.804 16.126 2.513 91 HB2 CYS 11 HB2 CYS 11 17.492 15.254 5.094 92 HB3 CYS 11 HB1 CYS 11 18.841 16.389 5.028 93 HG CYS 11 HG CYS 11 17.211 18.154 4.454 94 H SER 12 HN SER 12 18.435 13.089 4.410 95 HA SER 12 HA SER 12 21.147 12.837 5.071 96 HB2 SER 12 HB2 SER 12 20.608 10.496 5.529 97 HB3 SER 12 HB1 SER 12 19.330 11.550 6.133 98 HG SER 12 HG SER 12 18.021 10.886 4.562 99 H PHE 13 HN PHE 13 19.296 11.649 2.285 100 HA PHE 13 HA PHE 13 21.243 10.044 1.101 101 HB2 PHE 13 HB2 PHE 13 18.805 11.440 0.225 102 HB3 PHE 13 HB1 PHE 13 19.974 11.132 -1.057 103 HD1 PHE 13 HD1 PHE 13 18.767 9.290 1.988 104 HD2 PHE 13 HD2 PHE 13 19.578 9.171 -2.228 105 HE1 PHE 13 HE1 PHE 13 18.073 6.911 1.922 106 HE2 PHE 13 HE2 PHE 13 18.882 6.790 -2.296 107 HZ PHE 13 HZ PHE 13 18.130 5.660 -0.220 108 H ILE 14 HN ILE 14 20.568 13.507 0.483 109 HA ILE 14 HA ILE 14 22.761 13.836 -1.303 110 HB ILE 14 HB ILE 14 22.294 16.233 -1.094 111 HG12 ILE 14 HG12 ILE 14 20.294 15.457 1.053 112 HG13 ILE 14 HG11 ILE 14 21.883 16.125 1.418 113 HG21 ILE 14 HG21 ILE 14 19.836 16.134 -1.661 114 HG22 ILE 14 HG22 ILE 14 19.847 14.438 -1.177 115 HG23 ILE 14 HG23 ILE 14 20.819 14.969 -2.549 116 HD11 ILE 14 HD11 ILE 14 21.325 18.126 0.062 117 HD12 ILE 14 HD12 ILE 14 20.202 17.901 1.402 118 HD13 ILE 14 HD13 ILE 14 19.720 17.456 -0.234 119 H LEU 15 HN LEU 15 22.464 13.867 2.163 120 HA LEU 15 HA LEU 15 24.825 15.379 2.703 121 HB2 LEU 15 HB2 LEU 15 22.923 13.695 4.258 122 HB3 LEU 15 HB1 LEU 15 24.524 13.955 4.951 123 HG LEU 15 HG LEU 15 22.921 16.268 3.868 124 HD11 LEU 15 HD11 LEU 15 21.571 14.961 5.571 125 HD12 LEU 15 HD12 LEU 15 21.936 16.621 6.041 126 HD13 LEU 15 HD13 LEU 15 22.855 15.287 6.735 127 HD21 LEU 15 HD21 LEU 15 25.268 16.685 4.349 128 HD22 LEU 15 HD22 LEU 15 25.116 15.935 5.937 129 HD23 LEU 15 HD23 LEU 15 24.299 17.462 5.602 130 H SER 16 HN SER 16 24.178 11.892 3.209 131 HA SER 16 HA SER 16 26.793 11.104 3.579 132 HB2 SER 16 HB2 SER 16 26.040 8.856 2.884 133 HB3 SER 16 HB1 SER 16 24.866 9.625 3.950 134 HG SER 16 HG SER 16 23.556 9.998 2.254 135 H ALA 17 HN ALA 17 25.080 11.812 0.598 136 HA ALA 17 HA ALA 17 26.923 10.657 -1.214 137 HB1 ALA 17 HB1 ALA 17 25.864 12.086 -2.886 138 HB2 ALA 17 HB2 ALA 17 25.137 13.069 -1.616 139 HB3 ALA 17 HB3 ALA 17 24.635 11.392 -1.828 140 H LEU 18 HN LEU 18 26.603 13.994 0.021 141 HA LEU 18 HA LEU 18 28.925 14.955 -1.326 142 HB2 LEU 18 HB2 LEU 18 27.325 16.040 0.994 143 HB3 LEU 18 HB1 LEU 18 28.686 16.894 0.265 144 HG LEU 18 HG LEU 18 26.331 15.901 -1.356 145 HD11 LEU 18 HD11 LEU 18 26.775 18.559 0.026 146 HD12 LEU 18 HD12 LEU 18 25.400 17.470 0.204 147 HD13 LEU 18 HD13 LEU 18 25.639 18.349 -1.306 148 HD21 LEU 18 HD21 LEU 18 28.634 17.815 -1.827 149 HD22 LEU 18 HD22 LEU 18 27.214 17.771 -2.872 150 HD23 LEU 18 HD23 LEU 18 28.246 16.349 -2.728 151 H HIS 19 HN HIS 19 28.377 13.304 1.680 152 HA HIS 19 HA HIS 19 30.747 14.051 3.037 153 HB2 HIS 19 HB2 HIS 19 29.080 13.083 4.379 154 HB3 HIS 19 HB1 HIS 19 28.834 11.737 3.267 155 HD2 HIS 19 HD2 HIS 19 31.567 12.896 5.903 156 HE1 HIS 19 HE1 HIS 19 32.126 8.796 5.060 157 HE2 HIS 19 HE2 HIS 19 32.900 10.734 6.509 158 H PHE 20 HN PHE 20 29.939 11.181 1.062 159 HA PHE 20 HA PHE 20 32.574 10.098 1.224 160 HB2 PHE 20 HB2 PHE 20 30.037 9.415 -0.092 161 HB3 PHE 20 HB1 PHE 20 31.466 8.967 -1.026 162 HD1 PHE 20 HD1 PHE 20 29.289 7.943 1.574 163 HD2 PHE 20 HD2 PHE 20 33.414 7.847 0.393 164 HE1 PHE 20 HE1 PHE 20 29.673 6.007 3.088 165 HE2 PHE 20 HE2 PHE 20 33.809 5.915 1.900 166 HZ PHE 20 HZ PHE 20 31.950 4.985 3.267 167 H MET 21 HN MET 21 30.971 12.405 -0.842 168 HA MET 21 HA MET 21 32.697 12.301 -3.063 169 HB2 MET 21 HB2 MET 21 30.813 14.288 -1.900 170 HB3 MET 21 HB1 MET 21 31.988 14.885 -3.072 171 HG2 MET 21 HG2 MET 21 31.271 13.101 -4.659 172 HG3 MET 21 HG1 MET 21 30.047 12.590 -3.497 173 HE1 MET 21 HE1 MET 21 29.822 14.222 -6.825 174 HE2 MET 21 HE2 MET 21 28.115 14.171 -6.391 175 HE3 MET 21 HE3 MET 21 29.166 12.824 -5.963 176 H ALA 22 HN ALA 22 32.741 14.535 -0.280 177 HA ALA 22 HA ALA 22 35.201 15.757 -0.930 178 HB1 ALA 22 HB1 ALA 22 35.172 16.613 1.357 179 HB2 ALA 22 HB2 ALA 22 33.933 15.440 1.803 180 HB3 ALA 22 HB3 ALA 22 33.557 16.725 0.654 181 H TRP 23 HN TRP 23 34.372 12.952 1.066 182 HA TRP 23 HA TRP 23 36.908 12.482 2.174 183 HB2 TRP 23 HB2 TRP 23 34.395 11.065 1.929 184 HB3 TRP 23 HB1 TRP 23 35.756 9.965 1.718 185 HD1 TRP 23 HD1 TRP 23 34.696 12.782 4.164 186 HE1 TRP 23 HE1 TRP 23 35.508 12.128 6.518 187 HE3 TRP 23 HE3 TRP 23 37.123 8.416 3.090 188 HZ2 TRP 23 HZ2 TRP 23 36.998 10.042 7.780 189 HZ3 TRP 23 HZ3 TRP 23 38.228 7.116 4.888 190 HH2 TRP 23 HH2 TRP 23 38.168 7.923 7.231 191 H THR 24 HN THR 24 35.453 11.263 -0.837 192 HA THR 24 HA THR 24 37.533 9.631 -1.684 193 HB THR 24 HB THR 24 35.645 11.336 -3.331 194 HG1 THR 24 HG1 THR 24 35.558 8.582 -2.674 195 HG21 THR 24 HG21 THR 24 37.510 10.685 -4.718 196 HG22 THR 24 HG22 THR 24 36.151 9.633 -5.114 197 HG23 THR 24 HG23 THR 24 37.461 9.038 -4.094 198 H ILE 25 HN ILE 25 37.016 13.099 -2.226 199 HA ILE 25 HA ILE 25 39.342 13.513 -3.802 200 HB ILE 25 HB ILE 25 37.824 15.446 -2.030 201 HG12 ILE 25 HG12 ILE 25 37.704 15.064 -5.035 202 HG13 ILE 25 HG11 ILE 25 36.585 14.274 -3.925 203 HG21 ILE 25 HG21 ILE 25 40.096 16.256 -2.560 204 HG22 ILE 25 HG22 ILE 25 38.887 17.179 -3.455 205 HG23 ILE 25 HG23 ILE 25 39.820 15.922 -4.270 206 HD11 ILE 25 HD11 ILE 25 36.048 16.573 -2.997 207 HD12 ILE 25 HD12 ILE 25 35.515 16.295 -4.655 208 HD13 ILE 25 HD13 ILE 25 36.966 17.246 -4.343 209 H GLY 26 HN GLY 26 38.722 13.623 -0.346 210 HA2 GLY 26 HA2 GLY 26 41.197 14.687 0.507 211 HA3 GLY 26 HA1 GLY 26 40.142 13.672 1.487 212 H HIS 27 HN HIS 27 40.148 11.306 0.120 213 HA HIS 27 HA HIS 27 42.569 10.106 0.926 214 HB2 HIS 27 HB2 HIS 27 40.058 9.263 -0.236 215 HB3 HIS 27 HB1 HIS 27 41.406 8.417 -0.996 216 HD2 HIS 27 HD2 HIS 27 43.191 7.138 1.012 217 HE1 HIS 27 HE1 HIS 27 40.098 6.858 3.872 218 HE2 HIS 27 HE2 HIS 27 42.428 6.054 3.261 219 H LEU 28 HN LEU 28 41.416 11.228 -2.219 220 HA LEU 28 HA LEU 28 43.708 10.238 -3.653 221 HB2 LEU 28 HB2 LEU 28 41.564 12.226 -4.434 222 HB3 LEU 28 HB1 LEU 28 42.781 11.569 -5.529 223 HG LEU 28 HG LEU 28 40.867 9.842 -3.939 224 HD11 LEU 28 HD11 LEU 28 40.676 10.544 -6.876 225 HD12 LEU 28 HD12 LEU 28 39.762 11.396 -5.632 226 HD13 LEU 28 HD13 LEU 28 39.497 9.672 -5.897 227 HD21 LEU 28 HD21 LEU 28 42.846 9.357 -6.180 228 HD22 LEU 28 HD22 LEU 28 41.564 8.208 -5.797 229 HD23 LEU 28 HD23 LEU 28 42.794 8.590 -4.592 230 H ASN 29 HN ASN 29 42.950 13.068 -1.829 231 HA ASN 29 HA ASN 29 44.817 14.850 -3.059 232 HB2 ASN 29 HB2 ASN 29 43.382 16.132 -1.865 233 HB3 ASN 29 HB1 ASN 29 43.058 14.855 -0.693 234 HD21 ASN 29 HD21 ASN 29 44.335 14.798 1.235 235 HD22 ASN 29 HD22 ASN 29 45.493 15.981 1.604 236 H GLN 30 HN GLN 30 44.935 12.648 -0.294 237 HA GLN 30 HA GLN 30 47.429 13.437 0.734 238 HB2 GLN 30 HB2 GLN 30 45.795 11.934 1.887 239 HB3 GLN 30 HB1 GLN 30 46.250 10.649 0.769 240 HG2 GLN 30 HG2 GLN 30 48.297 10.334 1.745 241 HG3 GLN 30 HG1 GLN 30 48.485 12.040 2.144 242 HE21 GLN 30 HE21 GLN 30 46.233 9.358 3.070 243 HE22 GLN 30 HE22 GLN 30 46.248 9.737 4.724 244 H ILE 31 HN ILE 31 46.566 11.127 -1.793 245 HA ILE 31 HA ILE 31 49.357 11.162 -2.710 246 HB ILE 31 HB ILE 31 49.335 9.139 -1.471 247 HG12 ILE 31 HG12 ILE 31 48.576 8.233 -4.251 248 HG13 ILE 31 HG11 ILE 31 50.089 9.079 -3.932 249 HG21 ILE 31 HG21 ILE 31 46.811 9.051 -1.227 250 HG22 ILE 31 HG22 ILE 31 47.571 7.492 -1.542 251 HG23 ILE 31 HG23 ILE 31 46.747 8.347 -2.845 252 HD11 ILE 31 HD11 ILE 31 50.795 7.361 -2.378 253 HD12 ILE 31 HD12 ILE 31 50.293 6.570 -3.873 254 HD13 ILE 31 HD13 ILE 31 49.223 6.569 -2.471 255 H LYS 32 HN LYS 32 48.912 12.313 -4.543 256 HA LYS 32 HA LYS 32 46.808 11.272 -6.327 257 HB2 LYS 32 HB2 LYS 32 46.866 13.727 -5.632 258 HB3 LYS 32 HB1 LYS 32 48.303 13.870 -6.645 259 HG2 LYS 32 HG2 LYS 32 46.974 12.928 -8.556 260 HG3 LYS 32 HG1 LYS 32 45.541 12.989 -7.529 261 HD2 LYS 32 HD2 LYS 32 47.270 15.411 -8.078 262 HD3 LYS 32 HD1 LYS 32 45.864 14.997 -9.058 263 HE2 LYS 32 HE2 LYS 32 44.445 15.054 -7.024 264 HE3 LYS 32 HE1 LYS 32 45.854 15.521 -6.070 265 HZ1 LYS 32 HZ1 LYS 32 45.871 17.598 -6.934 266 HZ2 LYS 32 HZ2 LYS 32 44.212 17.288 -7.124 267 HZ3 LYS 32 HZ3 LYS 32 45.266 17.115 -8.443 268 H ARG 33 HN ARG 33 50.238 12.086 -6.163 269 HA ARG 33 HA ARG 33 50.701 11.278 -8.915 270 HB2 ARG 33 HB2 ARG 33 52.973 11.933 -8.549 271 HB3 ARG 33 HB1 ARG 33 51.964 13.138 -7.750 272 HG2 ARG 33 HG2 ARG 33 52.265 11.903 -5.598 273 HG3 ARG 33 HG1 ARG 33 53.378 10.807 -6.419 274 HD2 ARG 33 HD2 ARG 33 54.802 12.748 -7.025 275 HD3 ARG 33 HD1 ARG 33 53.714 13.804 -6.126 276 HE ARG 33 HE ARG 33 55.671 11.983 -5.013 277 HH11 ARG 33 HH11 ARG 33 52.709 13.752 -4.471 278 HH12 ARG 33 HH12 ARG 33 52.906 13.783 -2.747 279 HH21 ARG 33 HH21 ARG 33 55.890 12.034 -2.760 280 HH22 ARG 33 HH22 ARG 33 54.687 12.816 -1.789 281 H1 MET 1 HT1 MET 1 7.885 -3.046 5.067 282 H2 MET 1 HT2 MET 1 8.775 -4.451 5.414 283 H3 MET 1 HT3 MET 1 7.085 -4.530 5.256 284 HA MET 1 HA MET 1 9.150 -4.428 3.205 285 HB2 MET 1 HB2 MET 1 6.592 -5.819 3.804 286 HB3 MET 1 HB1 MET 1 6.975 -5.572 2.101 287 HG2 MET 1 HG2 MET 1 8.947 -6.751 4.068 288 HG3 MET 1 HG1 MET 1 7.851 -7.737 3.103 289 HE1 MET 1 HE1 MET 1 8.968 -7.929 -0.234 290 HE2 MET 1 HE2 MET 1 7.914 -6.533 -0.037 291 HE3 MET 1 HE3 MET 1 7.652 -7.972 0.946 292 H PHE 2 HN PHE 2 6.063 -2.956 4.027 293 HA PHE 2 HA PHE 2 6.187 -1.366 1.538 294 HB2 PHE 2 HB2 PHE 2 3.956 -2.475 3.146 295 HB3 PHE 2 HB1 PHE 2 3.712 -0.856 2.489 296 HD1 PHE 2 HD1 PHE 2 3.504 -4.322 1.787 297 HD2 PHE 2 HD2 PHE 2 4.427 -0.544 -0.036 298 HE1 PHE 2 HE1 PHE 2 3.059 -5.293 -0.453 299 HE2 PHE 2 HE2 PHE 2 3.983 -1.514 -2.274 300 HZ PHE 2 HZ PHE 2 3.298 -3.887 -2.483 301 H GLU 3 HN GLU 3 7.205 -1.150 4.612 302 HA GLU 3 HA GLU 3 6.168 1.514 5.142 303 HB2 GLU 3 HB2 GLU 3 7.960 -0.324 6.734 304 HB3 GLU 3 HB1 GLU 3 7.525 1.311 7.242 305 HG2 GLU 3 HG2 GLU 3 5.132 0.713 7.103 306 HG3 GLU 3 HG1 GLU 3 5.576 -0.929 6.638 307 HA PRO 4 HA PRO 4 9.724 3.317 3.073 308 HB2 PRO 4 HB2 PRO 4 9.431 5.876 4.064 309 HB3 PRO 4 HB1 PRO 4 8.482 5.216 2.718 310 HG2 PRO 4 HG2 PRO 4 7.745 5.502 5.589 311 HG3 PRO 4 HG1 PRO 4 6.767 5.780 4.138 312 HD2 PRO 4 HD2 PRO 4 6.532 3.526 5.619 313 HD3 PRO 4 HD1 PRO 4 6.293 3.534 3.860 314 H PHE 5 HN PHE 5 9.189 3.489 6.520 315 HA PHE 5 HA PHE 5 11.634 4.619 7.331 316 HB2 PHE 5 HB2 PHE 5 10.468 4.497 9.245 317 HB3 PHE 5 HB1 PHE 5 9.391 3.268 8.582 318 HD1 PHE 5 HD1 PHE 5 12.604 3.844 10.332 319 HD2 PHE 5 HD2 PHE 5 9.787 0.915 8.945 320 HE1 PHE 5 HE1 PHE 5 13.751 2.099 11.667 321 HE2 PHE 5 HE2 PHE 5 10.937 -0.827 10.284 322 HZ PHE 5 HZ PHE 5 12.927 -0.235 11.639 323 H GLN 6 HN GLN 6 10.717 1.359 6.410 324 HA GLN 6 HA GLN 6 12.997 0.017 7.410 325 HB2 GLN 6 HB2 GLN 6 11.019 -0.593 5.231 326 HB3 GLN 6 HB1 GLN 6 12.402 -1.648 5.535 327 HG2 GLN 6 HG2 GLN 6 10.603 -0.778 7.787 328 HG3 GLN 6 HG1 GLN 6 10.180 -2.157 6.777 329 HE21 GLN 6 HE21 GLN 6 11.473 -4.097 6.967 330 HE22 GLN 6 HE22 GLN 6 12.633 -4.288 8.193 331 H ILE 7 HN ILE 7 12.356 1.692 4.362 332 HA ILE 7 HA ILE 7 14.696 0.849 3.006 333 HB ILE 7 HB ILE 7 12.997 3.331 2.699 334 HG12 ILE 7 HG12 ILE 7 13.112 0.830 0.998 335 HG13 ILE 7 HG11 ILE 7 11.969 1.029 2.326 336 HG21 ILE 7 HG21 ILE 7 15.166 3.772 1.725 337 HG22 ILE 7 HG22 ILE 7 14.056 3.391 0.409 338 HG23 ILE 7 HG23 ILE 7 15.205 2.177 0.973 339 HD11 ILE 7 HD11 ILE 7 11.174 1.685 -0.047 340 HD12 ILE 7 HD12 ILE 7 12.199 3.106 0.149 341 HD13 ILE 7 HD13 ILE 7 10.862 2.822 1.264 342 H LEU 8 HN LEU 8 13.961 3.866 4.789 343 HA LEU 8 HA LEU 8 16.561 4.954 4.514 344 HB2 LEU 8 HB2 LEU 8 14.526 6.261 5.122 345 HB3 LEU 8 HB1 LEU 8 14.551 5.499 6.711 346 HG LEU 8 HG LEU 8 16.955 6.362 6.925 347 HD11 LEU 8 HD11 LEU 8 17.392 6.864 4.587 348 HD12 LEU 8 HD12 LEU 8 17.436 8.372 5.503 349 HD13 LEU 8 HD13 LEU 8 16.021 7.971 4.530 350 HD21 LEU 8 HD21 LEU 8 14.774 8.456 6.659 351 HD22 LEU 8 HD22 LEU 8 16.209 8.550 7.680 352 HD23 LEU 8 HD23 LEU 8 14.946 7.373 8.041 353 H SER 9 HN SER 9 15.109 2.803 6.868 354 HA SER 9 HA SER 9 17.174 2.979 8.823 355 HB2 SER 9 HB2 SER 9 16.161 0.980 9.782 356 HB3 SER 9 HB1 SER 9 14.901 2.116 9.305 357 HG SER 9 HG SER 9 15.442 -0.390 8.393 358 H ILE 10 HN ILE 10 16.479 0.642 6.241 359 HA ILE 10 HA ILE 10 18.702 -1.031 6.700 360 HB ILE 10 HB ILE 10 17.016 -0.525 4.257 361 HG12 ILE 10 HG12 ILE 10 16.222 -1.766 6.409 362 HG13 ILE 10 HG11 ILE 10 15.939 -2.533 4.847 363 HG21 ILE 10 HG21 ILE 10 18.180 -2.723 3.474 364 HG22 ILE 10 HG22 ILE 10 19.449 -2.283 4.617 365 HG23 ILE 10 HG23 ILE 10 19.054 -1.204 3.276 366 HD11 ILE 10 HD11 ILE 10 17.719 -4.063 5.138 367 HD12 ILE 10 HD12 ILE 10 16.963 -3.993 6.730 368 HD13 ILE 10 HD13 ILE 10 18.453 -3.100 6.421 369 H CYS 11 HN CYS 11 18.277 1.870 4.694 370 HA CYS 11 HA CYS 11 20.732 1.739 3.324 371 HB2 CYS 11 HB2 CYS 11 18.970 4.064 4.116 372 HB3 CYS 11 HB1 CYS 11 20.390 4.233 3.083 373 HG CYS 11 HG CYS 11 19.014 3.429 1.198 374 H SER 12 HN SER 12 19.852 3.494 6.342 375 HA SER 12 HA SER 12 22.401 4.569 6.796 376 HB2 SER 12 HB2 SER 12 21.629 4.898 9.092 377 HB3 SER 12 HB1 SER 12 20.352 5.312 7.951 378 HG SER 12 HG SER 12 19.259 3.550 8.512 379 H PHE 13 HN PHE 13 20.934 1.506 7.812 380 HA PHE 13 HA PHE 13 22.919 0.610 9.558 381 HB2 PHE 13 HB2 PHE 13 20.755 -0.607 7.979 382 HB3 PHE 13 HB1 PHE 13 22.087 -1.698 8.360 383 HD1 PHE 13 HD1 PHE 13 20.290 1.083 10.138 384 HD2 PHE 13 HD2 PHE 13 21.743 -2.957 10.276 385 HE1 PHE 13 HE1 PHE 13 19.449 0.858 12.461 386 HE2 PHE 13 HE2 PHE 13 20.903 -3.181 12.598 387 HZ PHE 13 HZ PHE 13 19.756 -1.273 13.691 388 H ILE 14 HN ILE 14 22.607 -0.029 6.045 389 HA ILE 14 HA ILE 14 25.070 -1.452 5.870 390 HB ILE 14 HB ILE 14 24.751 -1.266 3.447 391 HG12 ILE 14 HG12 ILE 14 22.381 0.515 4.094 392 HG13 ILE 14 HG11 ILE 14 23.934 1.142 3.545 393 HG21 ILE 14 HG21 ILE 14 22.421 -2.227 3.358 394 HG22 ILE 14 HG22 ILE 14 22.227 -1.780 5.052 395 HG23 ILE 14 HG23 ILE 14 23.446 -2.965 4.588 396 HD11 ILE 14 HD11 ILE 14 23.742 -0.250 1.499 397 HD12 ILE 14 HD12 ILE 14 22.410 0.896 1.651 398 HD13 ILE 14 HD13 ILE 14 22.159 -0.804 2.047 399 H LEU 15 HN LEU 15 24.229 1.925 5.835 400 HA LEU 15 HA LEU 15 26.581 2.861 4.511 401 HB2 LEU 15 HB2 LEU 15 24.342 4.066 6.063 402 HB3 LEU 15 HB1 LEU 15 25.829 5.005 5.923 403 HG LEU 15 HG LEU 15 24.585 3.727 3.492 404 HD11 LEU 15 HD11 LEU 15 22.891 5.167 4.704 405 HD12 LEU 15 HD12 LEU 15 23.301 5.728 3.083 406 HD13 LEU 15 HD13 LEU 15 23.995 6.525 4.494 407 HD21 LEU 15 HD21 LEU 15 26.848 4.578 3.244 408 HD22 LEU 15 HD22 LEU 15 26.400 6.104 4.003 409 HD23 LEU 15 HD23 LEU 15 25.751 5.685 2.418 410 H SER 16 HN SER 16 25.612 3.197 7.943 411 HA SER 16 HA SER 16 28.071 3.956 8.929 412 HB2 SER 16 HB2 SER 16 27.274 3.112 11.108 413 HB3 SER 16 HB1 SER 16 26.006 3.994 10.261 414 HG SER 16 HG SER 16 25.015 2.117 9.773 415 H ALA 17 HN ALA 17 26.908 0.759 8.064 416 HA ALA 17 HA ALA 17 28.927 -0.761 9.349 417 HB1 ALA 17 HB1 ALA 17 28.249 -2.557 7.840 418 HB2 ALA 17 HB2 ALA 17 27.403 -1.402 6.812 419 HB3 ALA 17 HB3 ALA 17 26.822 -1.716 8.446 420 H LEU 18 HN LEU 18 28.658 0.477 6.006 421 HA LEU 18 HA LEU 18 31.222 -0.480 5.210 422 HB2 LEU 18 HB2 LEU 18 29.355 1.579 4.027 423 HB3 LEU 18 HB1 LEU 18 30.873 1.093 3.269 424 HG LEU 18 HG LEU 18 28.743 -0.900 4.075 425 HD11 LEU 18 HD11 LEU 18 29.152 0.578 1.464 426 HD12 LEU 18 HD12 LEU 18 27.691 0.523 2.451 427 HD13 LEU 18 HD13 LEU 18 28.228 -0.918 1.586 428 HD21 LEU 18 HD21 LEU 18 31.227 -0.965 2.339 429 HD22 LEU 18 HD22 LEU 18 29.992 -2.221 2.261 430 HD23 LEU 18 HD23 LEU 18 30.876 -1.946 3.762 431 H HIS 19 HN HIS 19 30.086 2.373 6.830 432 HA HIS 19 HA HIS 19 32.263 4.098 6.278 433 HB2 HIS 19 HB2 HIS 19 30.338 5.144 7.129 434 HB3 HIS 19 HB1 HIS 19 30.176 3.983 8.446 435 HD2 HIS 19 HD2 HIS 19 32.534 7.038 7.509 436 HE1 HIS 19 HE1 HIS 19 32.927 6.216 11.632 437 HE2 HIS 19 HE2 HIS 19 33.598 7.805 9.767 438 H PHE 20 HN PHE 20 31.571 1.968 9.063 439 HA PHE 20 HA PHE 20 34.060 2.514 10.346 440 HB2 PHE 20 HB2 PHE 20 31.721 0.807 10.820 441 HB3 PHE 20 HB1 PHE 20 33.242 0.102 11.368 442 HD1 PHE 20 HD1 PHE 20 30.610 2.298 12.236 443 HD2 PHE 20 HD2 PHE 20 34.855 1.785 12.644 444 HE1 PHE 20 HE1 PHE 20 30.600 3.798 14.212 445 HE2 PHE 20 HE2 PHE 20 34.846 3.284 14.620 446 HZ PHE 20 HZ PHE 20 32.714 4.291 15.409 447 H MET 21 HN MET 21 32.979 0.278 7.900 448 HA MET 21 HA MET 21 35.023 -1.654 8.123 449 HB2 MET 21 HB2 MET 21 33.123 -0.765 6.010 450 HB3 MET 21 HB1 MET 21 34.509 -1.728 5.494 451 HG2 MET 21 HG2 MET 21 33.926 -3.438 7.208 452 HG3 MET 21 HG1 MET 21 32.502 -2.493 7.640 453 HE1 MET 21 HE1 MET 21 32.925 -5.780 5.965 454 HE2 MET 21 HE2 MET 21 31.171 -5.627 5.899 455 HE3 MET 21 HE3 MET 21 32.045 -5.063 7.322 456 H ALA 22 HN ALA 22 34.786 1.151 5.916 457 HA ALA 22 HA ALA 22 37.399 0.911 4.880 458 HB1 ALA 22 HB1 ALA 22 37.074 3.178 4.034 459 HB2 ALA 22 HB2 ALA 22 35.698 3.406 5.114 460 HB3 ALA 22 HB3 ALA 22 35.602 2.233 3.799 461 H TRP 23 HN TRP 23 36.063 2.699 7.625 462 HA TRP 23 HA TRP 23 38.348 4.185 8.292 463 HB2 TRP 23 HB2 TRP 23 35.810 3.520 9.512 464 HB3 TRP 23 HB1 TRP 23 37.103 3.507 10.711 465 HD1 TRP 23 HD1 TRP 23 35.875 5.809 7.839 466 HE1 TRP 23 HE1 TRP 23 36.257 8.248 8.574 467 HE3 TRP 23 HE3 TRP 23 38.120 5.044 12.367 468 HZ2 TRP 23 HZ2 TRP 23 37.375 9.688 10.773 469 HZ3 TRP 23 HZ3 TRP 23 38.831 6.969 13.758 470 HH2 TRP 23 HH2 TRP 23 38.460 9.289 12.968 471 H THR 24 HN THR 24 37.309 0.958 9.370 472 HA THR 24 HA THR 24 39.369 0.420 11.152 473 HB THR 24 HB THR 24 37.895 -1.471 9.299 474 HG1 THR 24 HG1 THR 24 37.508 -0.887 12.044 475 HG21 THR 24 HG21 THR 24 39.903 -2.560 10.073 476 HG22 THR 24 HG22 THR 24 38.554 -3.184 11.022 477 HG23 THR 24 HG23 THR 24 39.642 -1.983 11.718 478 H ILE 25 HN ILE 25 39.202 -0.121 7.644 479 HA ILE 25 HA ILE 25 41.768 -1.309 7.401 480 HB ILE 25 HB ILE 25 40.131 0.239 5.371 481 HG12 ILE 25 HG12 ILE 25 40.472 -2.754 5.721 482 HG13 ILE 25 HG11 ILE 25 39.132 -1.854 6.433 483 HG21 ILE 25 HG21 ILE 25 42.509 0.098 4.728 484 HG22 ILE 25 HG22 ILE 25 41.531 -0.965 3.713 485 HG23 ILE 25 HG23 ILE 25 42.492 -1.641 5.027 486 HD11 ILE 25 HD11 ILE 25 38.624 -0.980 4.106 487 HD12 ILE 25 HD12 ILE 25 38.343 -2.706 4.332 488 HD13 ILE 25 HD13 ILE 25 39.792 -2.152 3.494 489 H GLY 26 HN GLY 26 40.621 2.009 7.267 490 HA2 GLY 26 HA2 GLY 26 42.999 3.259 6.399 491 HA3 GLY 26 HA1 GLY 26 41.732 4.044 7.339 492 H HIS 27 HN HIS 27 41.784 2.650 9.689 493 HA HIS 27 HA HIS 27 43.955 3.802 11.073 494 HB2 HIS 27 HB2 HIS 27 41.604 2.244 11.718 495 HB3 HIS 27 HB1 HIS 27 42.992 1.692 12.657 496 HD2 HIS 27 HD2 HIS 27 44.335 3.934 14.078 497 HE1 HIS 27 HE1 HIS 27 40.814 6.261 14.144 498 HE2 HIS 27 HE2 HIS 27 43.147 6.013 15.117 499 H LEU 28 HN LEU 28 43.398 0.540 9.832 500 HA LEU 28 HA LEU 28 45.812 -0.535 10.985 501 HB2 LEU 28 HB2 LEU 28 43.965 -1.608 8.842 502 HB3 LEU 28 HB1 LEU 28 45.288 -2.509 9.580 503 HG LEU 28 HG LEU 28 43.030 -1.271 11.172 504 HD11 LEU 28 HD11 LEU 28 43.359 -4.189 10.437 505 HD12 LEU 28 HD12 LEU 28 42.318 -3.087 9.535 506 HD13 LEU 28 HD13 LEU 28 41.983 -3.425 11.234 507 HD21 LEU 28 HD21 LEU 28 45.304 -3.174 11.787 508 HD22 LEU 28 HD22 LEU 28 43.896 -3.027 12.841 509 HD23 LEU 28 HD23 LEU 28 44.937 -1.631 12.560 510 H ASN 29 HN ASN 29 44.979 1.202 8.122 511 HA ASN 29 HA ASN 29 47.138 0.311 6.473 512 HB2 ASN 29 HB2 ASN 29 45.627 1.289 5.098 513 HB3 ASN 29 HB1 ASN 29 45.031 2.372 6.354 514 HD21 ASN 29 HD21 ASN 29 45.983 4.474 6.521 515 HD22 ASN 29 HD22 ASN 29 47.150 5.042 5.427 516 H GLN 30 HN GLN 30 46.659 3.014 8.703 517 HA GLN 30 HA GLN 30 49.009 4.439 8.105 518 HB2 GLN 30 HB2 GLN 30 47.108 5.287 9.496 519 HB3 GLN 30 HB1 GLN 30 47.649 4.230 10.803 520 HG2 GLN 30 HG2 GLN 30 49.482 5.517 11.271 521 HG3 GLN 30 HG1 GLN 30 49.724 5.971 9.584 522 HE21 GLN 30 HE21 GLN 30 47.166 6.477 12.099 523 HE22 GLN 30 HE22 GLN 30 46.944 8.119 11.734 524 H ILE 31 HN ILE 31 48.396 1.764 10.330 525 HA ILE 31 HA ILE 31 51.291 1.298 10.490 526 HB ILE 31 HB ILE 31 50.931 2.480 12.515 527 HG12 ILE 31 HG12 ILE 31 50.556 -0.402 13.341 528 HG13 ILE 31 HG11 ILE 31 52.058 0.168 12.613 529 HG21 ILE 31 HG21 ILE 31 48.400 2.324 12.420 530 HG22 ILE 31 HG22 ILE 31 49.088 2.102 14.029 531 HG23 ILE 31 HG23 ILE 31 48.541 0.703 13.104 532 HD11 ILE 31 HD11 ILE 31 52.387 1.775 14.391 533 HD12 ILE 31 HD12 ILE 31 52.065 0.209 15.133 534 HD13 ILE 31 HD13 ILE 31 50.793 1.428 15.061 535 H LYS 32 HN LYS 32 51.224 -0.559 9.295 536 HA LYS 32 HA LYS 32 49.361 -2.672 10.166 537 HB2 LYS 32 HB2 LYS 32 49.485 -1.930 7.726 538 HB3 LYS 32 HB1 LYS 32 51.069 -2.702 7.684 539 HG2 LYS 32 HG2 LYS 32 49.996 -4.816 8.511 540 HG3 LYS 32 HG1 LYS 32 48.427 -4.026 8.351 541 HD2 LYS 32 HD2 LYS 32 50.390 -4.252 6.060 542 HD3 LYS 32 HD1 LYS 32 49.128 -5.447 6.363 543 HE2 LYS 32 HE2 LYS 32 47.416 -3.660 6.212 544 HE3 LYS 32 HE1 LYS 32 48.688 -2.489 5.860 545 HZ1 LYS 32 HZ1 LYS 32 48.989 -3.297 3.784 546 HZ2 LYS 32 HZ2 LYS 32 47.364 -3.754 3.968 547 HZ3 LYS 32 HZ3 LYS 32 48.603 -4.893 4.208 548 H ARG 33 HN ARG 33 52.771 -1.953 9.613 549 HA ARG 33 HA ARG 33 53.605 -4.613 10.431 550 HB2 ARG 33 HB2 ARG 33 55.833 -3.881 9.951 551 HB3 ARG 33 HB1 ARG 33 54.798 -3.231 8.678 552 HG2 ARG 33 HG2 ARG 33 54.661 -1.080 9.945 553 HG3 ARG 33 HG1 ARG 33 55.809 -1.733 11.115 554 HD2 ARG 33 HD2 ARG 33 57.446 -2.073 9.277 555 HD3 ARG 33 HD1 ARG 33 56.306 -1.334 8.152 556 HE ARG 33 HE ARG 33 57.928 0.037 10.122 557 HH11 ARG 33 HH11 ARG 33 55.054 0.141 8.140 558 HH12 ARG 33 HH12 ARG 33 54.979 1.874 8.138 559 HH21 ARG 33 HH21 ARG 33 57.794 2.296 10.105 560 HH22 ARG 33 HH22 ARG 33 56.513 3.082 9.242 561 H1 MET 1 HT1 MET 1 7.660 1.913 21.204 562 H2 MET 1 HT2 MET 1 8.349 2.392 22.682 563 H3 MET 1 HT3 MET 1 6.707 1.962 22.606 564 HA MET 1 HA MET 1 9.076 0.271 22.712 565 HB2 MET 1 HB2 MET 1 6.337 0.443 23.857 566 HB3 MET 1 HB1 MET 1 7.009 -1.176 23.658 567 HG2 MET 1 HG2 MET 1 8.526 1.072 24.998 568 HG3 MET 1 HG1 MET 1 7.510 -0.061 25.888 569 HE1 MET 1 HE1 MET 1 9.118 -3.184 26.203 570 HE2 MET 1 HE2 MET 1 8.177 -3.141 24.715 571 HE3 MET 1 HE3 MET 1 7.633 -2.224 26.119 572 H PHE 2 HN PHE 2 6.054 0.601 20.947 573 HA PHE 2 HA PHE 2 6.718 -1.827 19.400 574 HB2 PHE 2 HB2 PHE 2 4.166 -0.602 20.280 575 HB3 PHE 2 HB1 PHE 2 4.182 -1.279 18.650 576 HD1 PHE 2 HD1 PHE 2 3.761 -2.029 22.087 577 HD2 PHE 2 HD2 PHE 2 5.317 -3.654 18.428 578 HE1 PHE 2 HE1 PHE 2 3.587 -4.318 23.028 579 HE2 PHE 2 HE2 PHE 2 5.142 -5.942 19.369 580 HZ PHE 2 HZ PHE 2 4.278 -6.273 21.669 581 H GLU 3 HN GLU 3 7.250 1.371 19.255 582 HA GLU 3 HA GLU 3 6.395 1.748 16.502 583 HB2 GLU 3 HB2 GLU 3 7.730 3.591 18.488 584 HB3 GLU 3 HB1 GLU 3 7.379 4.034 16.815 585 HG2 GLU 3 HG2 GLU 3 4.993 3.515 17.179 586 HG3 GLU 3 HG1 GLU 3 5.344 3.112 18.859 587 HA PRO 4 HA PRO 4 10.384 0.283 15.054 588 HB2 PRO 4 HB2 PRO 4 10.178 1.236 12.471 589 HB3 PRO 4 HB1 PRO 4 9.401 -0.249 13.050 590 HG2 PRO 4 HG2 PRO 4 8.242 2.467 12.671 591 HG3 PRO 4 HG1 PRO 4 7.539 0.878 12.319 592 HD2 PRO 4 HD2 PRO 4 6.864 2.292 14.528 593 HD3 PRO 4 HD1 PRO 4 6.908 0.517 14.515 594 H PHE 5 HN PHE 5 9.330 3.604 14.808 595 HA PHE 5 HA PHE 5 11.714 4.798 13.901 596 HB2 PHE 5 HB2 PHE 5 10.252 6.501 13.900 597 HB3 PHE 5 HB1 PHE 5 9.186 5.669 15.033 598 HD1 PHE 5 HD1 PHE 5 12.122 7.908 14.735 599 HD2 PHE 5 HD2 PHE 5 9.303 6.075 17.408 600 HE1 PHE 5 HE1 PHE 5 12.886 9.400 16.566 601 HE2 PHE 5 HE2 PHE 5 10.066 7.566 19.238 602 HZ PHE 5 HZ PHE 5 11.869 9.219 18.822 603 H GLN 6 HN GLN 6 10.655 3.722 17.072 604 HA GLN 6 HA GLN 6 12.616 5.060 18.612 605 HB2 GLN 6 HB2 GLN 6 10.964 2.587 19.055 606 HB3 GLN 6 HB1 GLN 6 12.173 3.106 20.231 607 HG2 GLN 6 HG2 GLN 6 10.126 5.043 19.170 608 HG3 GLN 6 HG1 GLN 6 9.740 3.970 20.514 609 HE21 GLN 6 HE21 GLN 6 10.807 4.349 22.564 610 HE22 GLN 6 HE22 GLN 6 11.724 5.747 22.853 611 H ILE 7 HN ILE 7 12.620 1.957 16.916 612 HA ILE 7 HA ILE 7 15.061 0.982 17.974 613 HB ILE 7 HB ILE 7 13.669 0.429 15.349 614 HG12 ILE 7 HG12 ILE 7 13.820 -1.249 17.864 615 HG13 ILE 7 HG11 ILE 7 12.504 -0.119 17.548 616 HG21 ILE 7 HG21 ILE 7 15.995 -0.186 15.115 617 HG22 ILE 7 HG22 ILE 7 15.079 -1.666 15.408 618 HG23 ILE 7 HG23 ILE 7 16.007 -0.930 16.715 619 HD11 ILE 7 HD11 ILE 7 12.162 -2.585 16.840 620 HD12 ILE 7 HD12 ILE 7 13.270 -2.219 15.517 621 HD13 ILE 7 HD13 ILE 7 11.751 -1.333 15.668 622 H LEU 8 HN LEU 8 14.333 2.657 14.898 623 HA LEU 8 HA LEU 8 17.035 2.802 14.052 624 HB2 LEU 8 HB2 LEU 8 15.061 3.087 12.561 625 HB3 LEU 8 HB1 LEU 8 14.763 4.658 13.304 626 HG LEU 8 HG LEU 8 17.171 5.251 12.662 627 HD11 LEU 8 HD11 LEU 8 18.014 3.011 12.225 628 HD12 LEU 8 HD12 LEU 8 18.052 3.927 10.719 629 HD13 LEU 8 HD13 LEU 8 16.775 2.743 11.000 630 HD21 LEU 8 HD21 LEU 8 15.258 4.650 10.383 631 HD22 LEU 8 HD22 LEU 8 16.519 5.882 10.404 632 HD23 LEU 8 HD23 LEU 8 15.114 6.041 11.458 633 H SER 9 HN SER 9 15.036 4.879 16.042 634 HA SER 9 HA SER 9 16.776 7.136 16.042 635 HB2 SER 9 HB2 SER 9 15.444 7.910 17.931 636 HB3 SER 9 HB1 SER 9 14.386 7.250 16.685 637 HG SER 9 HG SER 9 14.811 6.422 19.238 638 H ILE 10 HN ILE 10 16.278 4.465 18.328 639 HA ILE 10 HA ILE 10 18.236 5.255 20.193 640 HB ILE 10 HB ILE 10 17.014 2.576 19.552 641 HG12 ILE 10 HG12 ILE 10 15.780 4.574 20.694 642 HG13 ILE 10 HG11 ILE 10 15.664 2.979 21.436 643 HG21 ILE 10 HG21 ILE 10 18.072 1.979 21.860 644 HG22 ILE 10 HG22 ILE 10 19.181 3.309 21.529 645 HG23 ILE 10 HG23 ILE 10 19.109 1.926 20.435 646 HD11 ILE 10 HD11 ILE 10 17.216 3.522 23.134 647 HD12 ILE 10 HD12 ILE 10 16.243 4.984 22.978 648 HD13 ILE 10 HD13 ILE 10 17.844 4.909 22.243 649 H CYS 11 HN CYS 11 18.406 3.218 17.292 650 HA CYS 11 HA CYS 11 21.026 2.260 17.652 651 HB2 CYS 11 HB2 CYS 11 19.383 2.775 15.171 652 HB3 CYS 11 HB1 CYS 11 20.961 1.987 15.140 653 HG CYS 11 HG CYS 11 19.836 -0.104 15.818 654 H SER 12 HN SER 12 19.842 5.106 15.803 655 HA SER 12 HA SER 12 22.377 5.966 14.960 656 HB2 SER 12 HB2 SER 12 21.287 8.111 14.537 657 HB3 SER 12 HB1 SER 12 20.249 6.785 14.018 658 HG SER 12 HG SER 12 18.925 7.157 15.671 659 H PHE 13 HN PHE 13 20.486 6.723 17.866 660 HA PHE 13 HA PHE 13 22.079 8.753 18.925 661 HB2 PHE 13 HB2 PHE 13 20.089 6.844 19.948 662 HB3 PHE 13 HB1 PHE 13 21.235 7.424 21.156 663 HD1 PHE 13 HD1 PHE 13 19.454 8.916 18.203 664 HD2 PHE 13 HD2 PHE 13 20.468 9.248 22.363 665 HE1 PHE 13 HE1 PHE 13 18.238 11.074 18.327 666 HE2 PHE 13 HE2 PHE 13 19.252 11.407 22.487 667 HZ PHE 13 HZ PHE 13 18.138 12.320 20.470 668 H ILE 14 HN ILE 14 22.265 5.235 19.569 669 HA ILE 14 HA ILE 14 24.583 5.443 21.213 670 HB ILE 14 HB ILE 14 24.675 2.998 21.016 671 HG12 ILE 14 HG12 ILE 14 22.403 3.275 19.020 672 HG13 ILE 14 HG11 ILE 14 24.076 2.986 18.542 673 HG21 ILE 14 HG21 ILE 14 22.314 2.533 21.765 674 HG22 ILE 14 HG22 ILE 14 21.890 4.175 21.282 675 HG23 ILE 14 HG23 ILE 14 23.054 3.910 22.579 676 HD11 ILE 14 HD11 ILE 14 24.087 0.924 19.929 677 HD12 ILE 14 HD12 ILE 14 22.863 0.868 18.661 678 HD13 ILE 14 HD13 ILE 14 22.390 1.207 20.327 679 H LEU 15 HN LEU 15 24.080 5.289 17.773 680 HA LEU 15 HA LEU 15 26.689 4.366 17.072 681 HB2 LEU 15 HB2 LEU 15 24.357 5.549 15.651 682 HB3 LEU 15 HB1 LEU 15 25.928 5.654 14.856 683 HG LEU 15 HG LEU 15 24.971 3.048 16.030 684 HD11 LEU 15 HD11 LEU 15 23.254 3.996 14.420 685 HD12 LEU 15 HD12 LEU 15 23.955 2.454 13.929 686 HD13 LEU 15 HD13 LEU 15 24.503 3.953 13.176 687 HD21 LEU 15 HD21 LEU 15 27.316 3.175 15.400 688 HD22 LEU 15 HD22 LEU 15 26.895 3.855 13.827 689 HD23 LEU 15 HD23 LEU 15 26.476 2.185 14.208 690 H SER 16 HN SER 16 25.222 7.603 16.638 691 HA SER 16 HA SER 16 27.555 8.972 16.090 692 HB2 SER 16 HB2 SER 16 26.349 10.990 16.844 693 HB3 SER 16 HB1 SER 16 25.322 9.961 15.848 694 HG SER 16 HG SER 16 24.244 9.306 17.623 695 H ALA 17 HN ALA 17 26.252 7.917 19.177 696 HA ALA 17 HA ALA 17 27.896 9.497 20.862 697 HB1 ALA 17 HB1 ALA 17 27.304 7.887 22.602 698 HB2 ALA 17 HB2 ALA 17 26.736 6.747 21.382 699 HB3 ALA 17 HB3 ALA 17 25.882 8.270 21.631 700 H LEU 18 HN LEU 18 28.269 6.161 19.640 701 HA LEU 18 HA LEU 18 30.830 5.772 20.830 702 HB2 LEU 18 HB2 LEU 18 29.373 4.322 18.617 703 HB3 LEU 18 HB1 LEU 18 30.939 3.812 19.246 704 HG LEU 18 HG LEU 18 28.535 4.254 21.030 705 HD11 LEU 18 HD11 LEU 18 29.488 1.753 19.614 706 HD12 LEU 18 HD12 LEU 18 27.890 2.493 19.527 707 HD13 LEU 18 HD13 LEU 18 28.422 1.715 21.018 708 HD21 LEU 18 HD21 LEU 18 31.244 2.935 21.336 709 HD22 LEU 18 HD22 LEU 18 29.926 2.654 22.473 710 HD23 LEU 18 HD23 LEU 18 30.585 4.278 22.270 711 H HIS 19 HN HIS 19 29.722 7.209 17.868 712 HA HIS 19 HA HIS 19 32.110 7.021 16.361 713 HB2 HIS 19 HB2 HIS 19 30.185 7.561 15.131 714 HB3 HIS 19 HB1 HIS 19 29.703 8.826 16.260 715 HD2 HIS 19 HD2 HIS 19 32.458 8.301 13.449 716 HE1 HIS 19 HE1 HIS 19 32.110 12.427 14.275 717 HE2 HIS 19 HE2 HIS 19 33.215 10.706 12.768 718 H PHE 20 HN PHE 20 30.791 9.647 18.398 719 HA PHE 20 HA PHE 20 33.086 11.310 18.066 720 HB2 PHE 20 HB2 PHE 20 30.552 11.395 19.548 721 HB3 PHE 20 HB1 PHE 20 31.894 12.176 20.386 722 HD1 PHE 20 HD1 PHE 20 29.371 12.625 17.945 723 HD2 PHE 20 HD2 PHE 20 33.430 13.703 18.848 724 HE1 PHE 20 HE1 PHE 20 29.188 14.579 16.428 725 HE2 PHE 20 HE2 PHE 20 33.250 15.658 17.330 726 HZ PHE 20 HZ PHE 20 31.124 16.098 16.117 727 H MET 21 HN MET 21 32.200 8.714 20.223 728 HA MET 21 HA MET 21 33.998 9.246 22.327 729 HB2 MET 21 HB2 MET 21 32.551 6.860 21.289 730 HB3 MET 21 HB1 MET 21 33.905 6.571 22.383 731 HG2 MET 21 HG2 MET 21 32.895 8.156 24.014 732 HG3 MET 21 HG1 MET 21 31.518 8.365 22.932 733 HE1 MET 21 HE1 MET 21 31.887 6.752 26.257 734 HE2 MET 21 HE2 MET 21 30.188 6.411 25.940 735 HE3 MET 21 HE3 MET 21 30.875 7.958 25.451 736 H ALA 22 HN ALA 22 34.373 7.042 19.544 737 HA ALA 22 HA ALA 22 37.087 6.433 20.026 738 HB1 ALA 22 HB1 ALA 22 37.114 5.559 17.750 739 HB2 ALA 22 HB2 ALA 22 35.614 6.413 17.381 740 HB3 ALA 22 HB3 ALA 22 35.612 5.093 18.551 741 H TRP 23 HN TRP 23 35.503 8.945 18.100 742 HA TRP 23 HA TRP 23 37.783 9.972 16.826 743 HB2 TRP 23 HB2 TRP 23 35.034 10.774 17.237 744 HB3 TRP 23 HB1 TRP 23 36.113 12.162 17.367 745 HD1 TRP 23 HD1 TRP 23 35.583 9.150 14.986 746 HE1 TRP 23 HE1 TRP 23 36.062 9.947 12.585 747 HE3 TRP 23 HE3 TRP 23 36.989 13.971 15.913 748 HZ2 TRP 23 HZ2 TRP 23 36.940 12.308 11.230 749 HZ3 TRP 23 HZ3 TRP 23 37.641 15.471 14.051 750 HH2 TRP 23 HH2 TRP 23 37.618 14.648 11.713 751 H THR 24 HN THR 24 36.289 10.850 19.933 752 HA THR 24 HA THR 24 37.980 12.933 20.646 753 HB THR 24 HB THR 24 36.650 10.857 22.408 754 HG1 THR 24 HG1 THR 24 35.883 13.506 21.757 755 HG21 THR 24 HG21 THR 24 38.395 11.938 23.675 756 HG22 THR 24 HG22 THR 24 36.858 12.658 24.156 757 HG23 THR 24 HG23 THR 24 37.931 13.522 23.055 758 H ILE 25 HN ILE 25 38.320 9.445 21.199 759 HA ILE 25 HA ILE 25 40.773 9.598 22.622 760 HB ILE 25 HB ILE 25 39.630 7.347 20.943 761 HG12 ILE 25 HG12 ILE 25 39.622 7.725 23.952 762 HG13 ILE 25 HG11 ILE 25 38.279 8.222 22.921 763 HG21 ILE 25 HG21 ILE 25 42.060 7.093 21.323 764 HG22 ILE 25 HG22 ILE 25 41.155 5.921 22.282 765 HG23 ILE 25 HG23 ILE 25 41.821 7.364 23.049 766 HD11 ILE 25 HD11 ILE 25 38.231 5.850 22.024 767 HD12 ILE 25 HD12 ILE 25 37.755 6.017 23.713 768 HD13 ILE 25 HD13 ILE 25 39.366 5.423 23.305 769 H GLY 26 HN GLY 26 39.975 9.308 19.216 770 HA2 GLY 26 HA2 GLY 26 42.565 8.837 18.195 771 HA3 GLY 26 HA1 GLY 26 41.244 9.570 17.291 772 H HIS 27 HN HIS 27 40.795 11.889 18.667 773 HA HIS 27 HA HIS 27 42.817 13.606 17.709 774 HB2 HIS 27 HB2 HIS 27 40.258 13.861 19.037 775 HB3 HIS 27 HB1 HIS 27 41.422 15.004 19.705 776 HD2 HIS 27 HD2 HIS 27 42.730 16.629 17.582 777 HE1 HIS 27 HE1 HIS 27 39.469 16.156 14.943 778 HE2 HIS 27 HE2 HIS 27 41.588 17.479 15.394 779 H LEU 28 HN LEU 28 42.161 12.271 20.916 780 HA LEU 28 HA LEU 28 44.251 13.782 22.200 781 HB2 LEU 28 HB2 LEU 28 42.672 11.367 23.113 782 HB3 LEU 28 HB1 LEU 28 43.775 12.297 24.129 783 HG LEU 28 HG LEU 28 41.419 13.523 22.672 784 HD11 LEU 28 HD11 LEU 28 41.583 12.827 25.614 785 HD12 LEU 28 HD12 LEU 28 40.807 11.779 24.425 786 HD13 LEU 28 HD13 LEU 28 40.177 13.401 24.717 787 HD21 LEU 28 HD21 LEU 28 43.378 14.472 24.781 788 HD22 LEU 28 HD22 LEU 28 41.843 15.293 24.490 789 HD23 LEU 28 HD23 LEU 28 43.044 15.192 23.203 790 H ASN 29 HN ASN 29 44.045 10.833 20.421 791 HA ASN 29 HA ASN 29 46.345 9.541 21.519 792 HB2 ASN 29 HB2 ASN 29 45.167 7.951 20.415 793 HB3 ASN 29 HB1 ASN 29 44.484 9.107 19.271 794 HD21 ASN 29 HD21 ASN 29 45.590 9.435 17.266 795 HD22 ASN 29 HD22 ASN 29 46.964 8.542 16.818 796 H GLN 30 HN GLN 30 45.774 11.687 18.767 797 HA GLN 30 HA GLN 30 48.311 11.480 17.572 798 HB2 GLN 30 HB2 GLN 30 46.302 12.558 16.539 799 HB3 GLN 30 HB1 GLN 30 46.527 13.926 17.632 800 HG2 GLN 30 HG2 GLN 30 48.378 14.685 16.520 801 HG3 GLN 30 HG1 GLN 30 48.921 13.061 16.100 802 HE21 GLN 30 HE21 GLN 30 46.060 15.151 15.344 803 HE22 GLN 30 HE22 GLN 30 46.050 14.769 13.690 804 H ILE 31 HN ILE 31 47.106 13.563 20.157 805 HA ILE 31 HA ILE 31 49.881 14.177 20.892 806 HB ILE 31 HB ILE 31 49.316 16.126 19.664 807 HG12 ILE 31 HG12 ILE 31 48.548 16.866 22.490 808 HG13 ILE 31 HG11 ILE 31 50.193 16.386 22.071 809 HG21 ILE 31 HG21 ILE 31 46.827 15.628 19.587 810 HG22 ILE 31 HG22 ILE 31 47.229 17.326 19.854 811 HG23 ILE 31 HG23 ILE 31 46.710 16.320 21.207 812 HD11 ILE 31 HD11 ILE 31 50.388 18.201 20.484 813 HD12 ILE 31 HD12 ILE 31 49.807 18.875 22.008 814 HD13 ILE 31 HD13 ILE 31 48.683 18.611 20.674 815 H LYS 32 HN LYS 32 49.833 12.976 22.746 816 HA LYS 32 HA LYS 32 47.665 13.527 24.667 817 HB2 LYS 32 HB2 LYS 32 48.240 11.143 23.960 818 HB3 LYS 32 HB1 LYS 32 49.734 11.345 24.876 819 HG2 LYS 32 HG2 LYS 32 48.353 11.978 26.875 820 HG3 LYS 32 HG1 LYS 32 46.908 11.578 25.945 821 HD2 LYS 32 HD2 LYS 32 49.179 9.623 26.367 822 HD3 LYS 32 HD1 LYS 32 47.782 9.715 27.440 823 HE2 LYS 32 HE2 LYS 32 46.286 9.309 25.506 824 HE3 LYS 32 HE1 LYS 32 47.696 9.171 24.457 825 HZ1 LYS 32 HZ1 LYS 32 48.253 7.164 25.307 826 HZ2 LYS 32 HZ2 LYS 32 46.582 7.083 25.608 827 HZ3 LYS 32 HZ3 LYS 32 47.653 7.509 26.856 828 H ARG 33 HN ARG 33 51.172 13.523 24.276 829 HA ARG 33 HA ARG 33 51.613 14.446 26.995 830 HB2 ARG 33 HB2 ARG 33 53.947 14.331 26.476 831 HB3 ARG 33 HB1 ARG 33 53.194 12.915 25.746 832 HG2 ARG 33 HG2 ARG 33 53.059 14.151 23.580 833 HG3 ARG 33 HG1 ARG 33 53.937 15.489 24.324 834 HD2 ARG 33 HD2 ARG 33 55.809 13.936 24.835 835 HD3 ARG 33 HD1 ARG 33 54.940 12.647 24.003 836 HE ARG 33 HE ARG 33 56.347 14.860 22.773 837 HH11 ARG 33 HH11 ARG 33 53.847 12.449 22.417 838 HH12 ARG 33 HH12 ARG 33 53.934 12.446 20.684 839 HH21 ARG 33 HH21 ARG 33 56.429 14.837 20.511 840 HH22 ARG 33 HH22 ARG 33 55.380 13.787 19.617 841 H1 MET 1 HT1 MET 1 5.487 17.829 16.368 842 H2 MET 1 HT2 MET 1 5.977 19.416 16.013 843 H3 MET 1 HT3 MET 1 4.337 19.073 16.296 844 HA MET 1 HA MET 1 6.520 19.440 18.187 845 HB2 MET 1 HB2 MET 1 3.662 20.174 17.826 846 HB3 MET 1 HB1 MET 1 4.227 19.994 19.487 847 HG2 MET 1 HG2 MET 1 5.695 21.658 17.432 848 HG3 MET 1 HG1 MET 1 4.469 22.328 18.508 849 HE1 MET 1 HE1 MET 1 5.758 22.713 21.767 850 HE2 MET 1 HE2 MET 1 5.065 21.105 21.586 851 HE3 MET 1 HE3 MET 1 4.384 22.457 20.684 852 H PHE 2 HN PHE 2 3.841 17.265 17.522 853 HA PHE 2 HA PHE 2 4.534 15.708 19.937 854 HB2 PHE 2 HB2 PHE 2 1.985 16.267 18.531 855 HB3 PHE 2 HB1 PHE 2 2.192 14.625 19.139 856 HD1 PHE 2 HD1 PHE 2 1.199 17.917 19.989 857 HD2 PHE 2 HD2 PHE 2 3.154 14.445 21.593 858 HE1 PHE 2 HE1 PHE 2 0.704 18.699 22.291 859 HE2 PHE 2 HE2 PHE 2 2.659 15.226 23.894 860 HZ PHE 2 HZ PHE 2 1.433 17.355 24.242 861 H GLU 3 HN GLU 3 5.337 15.811 16.793 862 HA GLU 3 HA GLU 3 4.940 12.986 16.234 863 HB2 GLU 3 HB2 GLU 3 6.106 15.236 14.594 864 HB3 GLU 3 HB1 GLU 3 6.039 13.556 14.056 865 HG2 GLU 3 HG2 GLU 3 3.592 13.547 14.383 866 HG3 GLU 3 HG1 GLU 3 3.660 15.237 14.883 867 HA PRO 4 HA PRO 4 8.970 12.071 17.982 868 HB2 PRO 4 HB2 PRO 4 9.237 9.539 16.913 869 HB3 PRO 4 HB1 PRO 4 8.266 9.917 18.349 870 HG2 PRO 4 HG2 PRO 4 7.395 9.513 15.530 871 HG3 PRO 4 HG1 PRO 4 6.632 8.978 17.038 872 HD2 PRO 4 HD2 PRO 4 5.741 11.133 15.661 873 HD3 PRO 4 HD1 PRO 4 5.649 11.034 17.431 874 H PHE 5 HN PHE 5 8.236 11.845 14.578 875 HA PHE 5 HA PHE 5 10.816 11.363 13.560 876 HB2 PHE 5 HB2 PHE 5 9.513 11.234 11.737 877 HB3 PHE 5 HB1 PHE 5 8.225 12.152 12.517 878 HD1 PHE 5 HD1 PHE 5 11.340 12.409 10.529 879 HD2 PHE 5 HD2 PHE 5 8.013 14.536 12.218 880 HE1 PHE 5 HE1 PHE 5 11.931 14.406 9.180 881 HE2 PHE 5 HE2 PHE 5 8.602 16.531 10.870 882 HZ PHE 5 HZ PHE 5 10.568 16.473 9.357 883 H GLN 6 HN GLN 6 9.206 14.283 14.661 884 HA GLN 6 HA GLN 6 11.011 16.161 13.561 885 HB2 GLN 6 HB2 GLN 6 9.115 16.228 15.894 886 HB3 GLN 6 HB1 GLN 6 10.170 17.596 15.530 887 HG2 GLN 6 HG2 GLN 6 8.471 16.345 13.381 888 HG3 GLN 6 HG1 GLN 6 7.801 17.560 14.468 889 HE21 GLN 6 HE21 GLN 6 8.568 19.762 14.262 890 HE22 GLN 6 HE22 GLN 6 9.544 20.255 12.962 891 H ILE 7 HN ILE 7 11.025 14.325 16.582 892 HA ILE 7 HA ILE 7 13.189 15.684 17.806 893 HB ILE 7 HB ILE 7 12.172 12.856 18.131 894 HG12 ILE 7 HG12 ILE 7 11.807 15.274 19.917 895 HG13 ILE 7 HG11 ILE 7 10.648 14.826 18.666 896 HG21 ILE 7 HG21 ILE 7 14.449 12.934 18.935 897 HG22 ILE 7 HG22 ILE 7 13.387 13.012 20.341 898 HG23 ILE 7 HG23 ILE 7 14.162 14.477 19.741 899 HD11 ILE 7 HD11 ILE 7 10.220 13.946 21.059 900 HD12 ILE 7 HD12 ILE 7 11.545 12.827 20.743 901 HD13 ILE 7 HD13 ILE 7 10.099 12.793 19.732 902 H LEU 8 HN LEU 8 13.072 12.622 15.959 903 HA LEU 8 HA LEU 8 15.871 12.193 16.015 904 HB2 LEU 8 HB2 LEU 8 14.170 10.442 15.495 905 HB3 LEU 8 HB1 LEU 8 13.897 11.220 13.936 906 HG LEU 8 HG LEU 8 16.413 10.971 13.531 907 HD11 LEU 8 HD11 LEU 8 17.129 10.550 15.820 908 HD12 LEU 8 HD12 LEU 8 17.476 9.120 14.846 909 HD13 LEU 8 HD13 LEU 8 16.080 9.134 15.922 910 HD21 LEU 8 HD21 LEU 8 14.829 8.405 13.874 911 HD22 LEU 8 HD22 LEU 8 16.167 8.678 12.756 912 HD23 LEU 8 HD23 LEU 8 14.635 9.518 12.520 913 H SER 9 HN SER 9 13.770 13.974 13.852 914 HA SER 9 HA SER 9 15.666 14.350 11.754 915 HB2 SER 9 HB2 SER 9 14.128 16.054 10.942 916 HB3 SER 9 HB1 SER 9 13.220 14.639 11.465 917 HG SER 9 HG SER 9 13.204 17.185 12.422 918 H ILE 10 HN ILE 10 14.616 16.393 14.465 919 HA ILE 10 HA ILE 10 16.325 18.569 13.921 920 HB ILE 10 HB ILE 10 15.003 17.611 16.454 921 HG12 ILE 10 HG12 ILE 10 13.775 18.666 14.406 922 HG13 ILE 10 HG11 ILE 10 13.423 19.299 16.015 923 HG21 ILE 10 HG21 ILE 10 15.652 20.012 17.240 924 HG22 ILE 10 HG22 ILE 10 16.898 19.921 15.997 925 HG23 ILE 10 HG23 ILE 10 16.885 18.752 17.318 926 HD11 ILE 10 HD11 ILE 10 14.742 21.231 15.677 927 HD12 ILE 10 HD12 ILE 10 13.923 21.012 14.131 928 HD13 ILE 10 HD13 ILE 10 15.605 20.515 14.315 929 H CYS 11 HN CYS 11 16.770 15.619 15.848 930 HA CYS 11 HA CYS 11 19.222 16.314 17.042 931 HB2 CYS 11 HB2 CYS 11 18.017 13.647 16.289 932 HB3 CYS 11 HB1 CYS 11 19.513 13.806 17.210 933 HG CYS 11 HG CYS 11 18.128 14.187 19.218 934 H SER 12 HN SER 12 18.559 14.458 14.034 935 HA SER 12 HA SER 12 21.252 14.044 13.365 936 HB2 SER 12 HB2 SER 12 20.413 13.580 11.116 937 HB3 SER 12 HB1 SER 12 19.364 12.845 12.327 938 HG SER 12 HG SER 12 17.841 14.307 11.917 939 H PHE 13 HN PHE 13 19.012 16.676 12.562 940 HA PHE 13 HA PHE 13 20.582 18.060 10.719 941 HB2 PHE 13 HB2 PHE 13 18.316 18.682 12.488 942 HB3 PHE 13 HB1 PHE 13 19.309 20.072 12.056 943 HD1 PHE 13 HD1 PHE 13 18.116 16.970 10.304 944 HD2 PHE 13 HD2 PHE 13 18.516 21.245 10.221 945 HE1 PHE 13 HE1 PHE 13 17.069 17.025 8.056 946 HE2 PHE 13 HE2 PHE 13 17.470 21.299 7.972 947 HZ PHE 13 HZ PHE 13 16.748 19.189 6.890 948 H ILE 14 HN ILE 14 20.387 18.543 14.262 949 HA ILE 14 HA ILE 14 22.441 20.514 14.316 950 HB ILE 14 HB ILE 14 22.365 20.213 16.750 951 HG12 ILE 14 HG12 ILE 14 20.456 17.916 16.208 952 HG13 ILE 14 HG11 ILE 14 22.152 17.678 16.619 953 HG21 ILE 14 HG21 ILE 14 19.885 20.567 17.042 954 HG22 ILE 14 HG22 ILE 14 19.675 20.119 15.349 955 HG23 ILE 14 HG23 ILE 14 20.598 21.559 15.771 956 HD11 ILE 14 HD11 ILE 14 21.792 18.940 18.727 957 HD12 ILE 14 HD12 ILE 14 20.770 17.507 18.627 958 HD13 ILE 14 HD13 ILE 14 20.084 19.101 18.316 959 H LEU 15 HN LEU 15 22.450 17.024 14.285 960 HA LEU 15 HA LEU 15 25.055 16.693 15.419 961 HB2 LEU 15 HB2 LEU 15 23.073 15.004 13.988 962 HB3 LEU 15 HB1 LEU 15 24.746 14.451 13.983 963 HG LEU 15 HG LEU 15 23.419 15.332 16.542 964 HD11 LEU 15 HD11 LEU 15 22.046 13.538 15.381 965 HD12 LEU 15 HD12 LEU 15 22.685 13.075 16.957 966 HD13 LEU 15 HD13 LEU 15 23.461 12.491 15.486 967 HD21 LEU 15 HD21 LEU 15 25.835 15.062 16.582 968 HD22 LEU 15 HD22 LEU 15 25.708 13.480 15.814 969 HD23 LEU 15 HD23 LEU 15 25.109 13.714 17.455 970 H SER 16 HN SER 16 23.920 16.249 12.033 971 HA SER 16 HA SER 16 26.422 16.094 10.873 972 HB2 SER 16 HB2 SER 16 25.286 16.764 8.781 973 HB3 SER 16 HB1 SER 16 24.343 15.575 9.676 974 HG SER 16 HG SER 16 22.956 17.135 10.300 975 H ALA 17 HN ALA 17 24.590 18.890 11.925 976 HA ALA 17 HA ALA 17 26.077 20.882 10.565 977 HB1 ALA 17 HB1 ALA 17 25.102 22.426 12.189 978 HB2 ALA 17 HB2 ALA 17 24.639 21.076 13.224 979 HB3 ALA 17 HB3 ALA 17 23.878 21.277 11.646 980 H LEU 18 HN LEU 18 26.366 19.552 13.868 981 HA LEU 18 HA LEU 18 28.678 21.086 14.524 982 HB2 LEU 18 HB2 LEU 18 27.466 18.607 15.752 983 HB3 LEU 18 HB1 LEU 18 28.871 19.438 16.422 984 HG LEU 18 HG LEU 18 26.264 20.862 15.843 985 HD11 LEU 18 HD11 LEU 18 27.219 19.468 18.357 986 HD12 LEU 18 HD12 LEU 18 25.715 19.189 17.478 987 HD13 LEU 18 HD13 LEU 18 25.953 20.696 18.362 988 HD21 LEU 18 HD21 LEU 18 28.776 21.496 17.414 989 HD22 LEU 18 HD22 LEU 18 27.282 22.410 17.613 990 HD23 LEU 18 HD23 LEU 18 28.099 22.390 16.050 991 H HIS 19 HN HIS 19 28.150 18.071 12.881 992 HA HIS 19 HA HIS 19 30.714 16.922 13.217 993 HB2 HIS 19 HB2 HIS 19 29.044 15.454 12.461 994 HB3 HIS 19 HB1 HIS 19 28.504 16.568 11.204 995 HD2 HIS 19 HD2 HIS 19 31.597 14.165 11.857 996 HE1 HIS 19 HE1 HIS 19 31.462 15.144 7.752 997 HE2 HIS 19 HE2 HIS 19 32.638 13.729 9.502 998 H PHE 20 HN PHE 20 29.319 18.877 10.566 999 HA PHE 20 HA PHE 20 31.767 18.973 9.101 1000 HB2 PHE 20 HB2 PHE 20 29.052 20.067 8.846 1001 HB3 PHE 20 HB1 PHE 20 30.310 21.133 8.222 1002 HD1 PHE 20 HD1 PHE 20 28.236 18.370 7.448 1003 HD2 PHE 20 HD2 PHE 20 32.183 19.917 6.779 1004 HE1 PHE 20 HE1 PHE 20 28.450 16.940 5.426 1005 HE2 PHE 20 HE2 PHE 20 32.408 18.494 4.758 1006 HZ PHE 20 HZ PHE 20 30.546 16.992 4.068 1007 H MET 21 HN MET 21 30.358 20.839 11.691 1008 HA MET 21 HA MET 21 31.852 23.210 11.398 1009 HB2 MET 21 HB2 MET 21 30.395 21.850 13.609 1010 HB3 MET 21 HB1 MET 21 31.539 23.117 14.055 1011 HG2 MET 21 HG2 MET 21 30.419 24.658 12.454 1012 HG3 MET 21 HG1 MET 21 29.246 23.394 12.087 1013 HE1 MET 21 HE1 MET 21 28.972 26.650 13.857 1014 HE2 MET 21 HE2 MET 21 27.320 26.062 14.032 1015 HE3 MET 21 HE3 MET 21 28.199 25.766 12.535 1016 H ALA 22 HN ALA 22 32.467 20.401 13.517 1017 HA ALA 22 HA ALA 22 35.019 21.247 14.378 1018 HB1 ALA 22 HB1 ALA 22 35.320 18.954 15.154 1019 HB2 ALA 22 HB2 ALA 22 33.965 18.419 14.162 1020 HB3 ALA 22 HB3 ALA 22 33.684 19.501 15.524 1021 H TRP 23 HN TRP 23 33.951 19.242 11.663 1022 HA TRP 23 HA TRP 23 36.474 18.376 10.789 1023 HB2 TRP 23 HB2 TRP 23 33.766 18.418 9.767 1024 HB3 TRP 23 HB1 TRP 23 34.924 18.776 8.485 1025 HD1 TRP 23 HD1 TRP 23 34.521 16.189 11.347 1026 HE1 TRP 23 HE1 TRP 23 35.434 13.928 10.504 1027 HE3 TRP 23 HE3 TRP 23 36.149 17.565 6.703 1028 HZ2 TRP 23 HZ2 TRP 23 36.686 12.848 8.173 1029 HZ3 TRP 23 HZ3 TRP 23 37.195 15.899 5.193 1030 HH2 TRP 23 HH2 TRP 23 37.465 13.545 5.922 1031 H THR 24 HN THR 24 34.599 21.268 9.906 1032 HA THR 24 HA THR 24 36.327 22.331 8.009 1033 HB THR 24 HB THR 24 34.580 23.767 10.029 1034 HG1 THR 24 HG1 THR 24 34.136 23.158 7.297 1035 HG21 THR 24 HG21 THR 24 36.197 25.330 9.153 1036 HG22 THR 24 HG22 THR 24 34.665 25.620 8.328 1037 HG23 THR 24 HG23 THR 24 35.955 24.736 7.510 1038 H ILE 25 HN ILE 25 36.296 22.749 11.534 1039 HA ILE 25 HA ILE 25 38.508 24.522 11.650 1040 HB ILE 25 HB ILE 25 37.460 22.579 13.726 1041 HG12 ILE 25 HG12 ILE 25 37.015 25.567 13.467 1042 HG13 ILE 25 HG11 ILE 25 35.893 24.373 12.815 1043 HG21 ILE 25 HG21 ILE 25 39.773 23.306 14.203 1044 HG22 ILE 25 HG22 ILE 25 38.641 24.055 15.331 1045 HG23 ILE 25 HG23 ILE 25 39.291 24.987 13.983 1046 HD11 ILE 25 HD11 ILE 25 35.795 23.355 15.136 1047 HD12 ILE 25 HD12 ILE 25 35.079 24.961 14.996 1048 HD13 ILE 25 HD13 ILE 25 36.680 24.767 15.710 1049 H GLY 26 HN GLY 26 38.214 21.026 11.734 1050 HA2 GLY 26 HA2 GLY 26 40.883 20.376 12.389 1051 HA3 GLY 26 HA1 GLY 26 39.777 19.327 11.508 1052 H HIS 27 HN HIS 27 39.312 20.740 9.216 1053 HA HIS 27 HA HIS 27 41.586 20.182 7.645 1054 HB2 HIS 27 HB2 HIS 27 38.886 21.126 7.221 1055 HB3 HIS 27 HB1 HIS 27 40.021 22.023 6.213 1056 HD2 HIS 27 HD2 HIS 27 41.763 20.211 4.620 1057 HE1 HIS 27 HE1 HIS 27 38.918 17.091 4.696 1058 HE2 HIS 27 HE2 HIS 27 41.043 17.925 3.583 1059 H LEU 28 HN LEU 28 40.348 23.182 9.043 1060 HA LEU 28 HA LEU 28 42.331 24.839 7.768 1061 HB2 LEU 28 HB2 LEU 28 40.447 25.381 10.074 1062 HB3 LEU 28 HB1 LEU 28 41.453 26.596 9.284 1063 HG LEU 28 HG LEU 28 39.450 24.875 7.802 1064 HD11 LEU 28 HD11 LEU 28 39.107 27.765 8.628 1065 HD12 LEU 28 HD12 LEU 28 38.443 26.421 9.558 1066 HD13 LEU 28 HD13 LEU 28 37.904 26.700 7.903 1067 HD21 LEU 28 HD21 LEU 28 41.129 27.299 7.112 1068 HD22 LEU 28 HD22 LEU 28 39.730 26.823 6.150 1069 HD23 LEU 28 HD23 LEU 28 41.104 25.730 6.306 1070 H ASN 29 HN ASN 29 42.163 22.898 10.617 1071 HA ASN 29 HA ASN 29 44.161 24.253 12.145 1072 HB2 ASN 29 HB2 ASN 29 43.044 22.905 13.581 1073 HB3 ASN 29 HB1 ASN 29 42.636 21.736 12.327 1074 HD21 ASN 29 HD21 ASN 29 44.052 19.934 12.019 1075 HD22 ASN 29 HD22 ASN 29 45.404 19.648 13.005 1076 H GLN 30 HN GLN 30 44.188 21.559 9.856 1077 HA GLN 30 HA GLN 30 46.853 20.745 10.232 1078 HB2 GLN 30 HB2 GLN 30 45.119 19.480 8.948 1079 HB3 GLN 30 HB1 GLN 30 45.274 20.663 7.649 1080 HG2 GLN 30 HG2 GLN 30 47.331 19.888 7.003 1081 HG3 GLN 30 HG1 GLN 30 47.805 19.468 8.647 1082 HE21 GLN 30 HE21 GLN 30 45.267 18.404 6.291 1083 HE22 GLN 30 HE22 GLN 30 45.482 16.750 6.601 1084 H ILE 31 HN ILE 31 45.436 23.229 8.157 1085 HA ILE 31 HA ILE 31 48.110 24.396 7.814 1086 HB ILE 31 HB ILE 31 47.893 23.201 5.775 1087 HG12 ILE 31 HG12 ILE 31 46.768 25.918 5.083 1088 HG13 ILE 31 HG11 ILE 31 48.411 25.723 5.689 1089 HG21 ILE 31 HG21 ILE 31 45.414 22.731 6.052 1090 HG22 ILE 31 HG22 ILE 31 45.902 23.146 4.410 1091 HG23 ILE 31 HG23 ILE 31 45.105 24.351 5.421 1092 HD11 ILE 31 HD11 ILE 31 48.991 24.275 3.839 1093 HD12 ILE 31 HD12 ILE 31 48.249 25.731 3.177 1094 HD13 ILE 31 HD13 ILE 31 47.317 24.238 3.287 1095 H LYS 32 HN LYS 32 47.687 26.159 9.078 1096 HA LYS 32 HA LYS 32 45.304 27.765 8.418 1097 HB2 LYS 32 HB2 LYS 32 45.789 27.028 10.814 1098 HB3 LYS 32 HB1 LYS 32 47.138 28.163 10.777 1099 HG2 LYS 32 HG2 LYS 32 45.524 29.967 10.108 1100 HG3 LYS 32 HG1 LYS 32 44.210 28.813 10.343 1101 HD2 LYS 32 HD2 LYS 32 46.226 29.463 12.504 1102 HD3 LYS 32 HD1 LYS 32 44.695 30.322 12.333 1103 HE2 LYS 32 HE2 LYS 32 43.481 28.168 12.528 1104 HE3 LYS 32 HE1 LYS 32 45.018 27.335 12.750 1105 HZ1 LYS 32 HZ1 LYS 32 45.274 28.154 14.830 1106 HZ2 LYS 32 HZ2 LYS 32 43.577 28.196 14.774 1107 HZ3 LYS 32 HZ3 LYS 32 44.474 29.611 14.494 1108 H ARG 33 HN ARG 33 48.818 27.899 8.717 1109 HA ARG 33 HA ARG 33 48.915 30.696 7.941 1110 HB2 ARG 33 HB2 ARG 33 51.283 30.524 8.239 1111 HB3 ARG 33 HB1 ARG 33 50.540 29.616 9.553 1112 HG2 ARG 33 HG2 ARG 33 50.835 27.522 8.222 1113 HG3 ARG 33 HG1 ARG 33 51.692 28.458 6.998 1114 HD2 ARG 33 HD2 ARG 33 53.338 29.157 8.722 1115 HD3 ARG 33 HD1 ARG 33 52.505 28.142 9.900 1116 HE ARG 33 HE ARG 33 54.254 27.247 7.772 1117 HH11 ARG 33 HH11 ARG 33 51.646 26.405 9.937 1118 HH12 ARG 33 HH12 ARG 33 51.992 24.705 9.880 1119 HH21 ARG 33 HH21 ARG 33 54.671 25.022 7.713 1120 HH22 ARG 33 HH22 ARG 33 53.686 23.932 8.629 Start of MODEL 8 1 H1 MET 1 HT1 MET 1 -2.223 10.271 0.928 2 H2 MET 1 HT2 MET 1 -1.351 11.693 1.256 3 H3 MET 1 HT3 MET 1 -0.665 10.176 1.591 4 HA MET 1 HA MET 1 -1.002 9.752 -0.921 5 HB2 MET 1 HB2 MET 1 -2.079 12.273 -0.756 6 HB3 MET 1 HB1 MET 1 -0.427 12.624 -1.264 7 HG2 MET 1 HG2 MET 1 -0.652 11.486 -3.271 8 HG3 MET 1 HG1 MET 1 -1.906 10.415 -2.649 9 HE1 MET 1 HE1 MET 1 -2.116 14.674 -2.533 10 HE2 MET 1 HE2 MET 1 -1.991 14.565 -4.286 11 HE3 MET 1 HE3 MET 1 -0.771 13.800 -3.276 12 H PHE 2 HN PHE 2 0.769 12.517 0.494 13 HA PHE 2 HA PHE 2 3.282 11.045 -0.031 14 HB2 PHE 2 HB2 PHE 2 2.752 14.020 -0.171 15 HB3 PHE 2 HB1 PHE 2 4.349 13.281 -0.295 16 HD1 PHE 2 HD1 PHE 2 1.167 13.900 -1.987 17 HD2 PHE 2 HD2 PHE 2 4.907 11.798 -2.206 18 HE1 PHE 2 HE1 PHE 2 0.788 13.474 -4.401 19 HE2 PHE 2 HE2 PHE 2 4.526 11.373 -4.620 20 HZ PHE 2 HZ PHE 2 2.467 12.211 -5.717 21 H GLU 3 HN GLU 3 4.623 10.754 1.653 22 HA GLU 3 HA GLU 3 3.786 11.824 4.228 23 HB2 GLU 3 HB2 GLU 3 5.696 9.625 3.458 24 HB3 GLU 3 HB1 GLU 3 5.497 10.178 5.121 25 HG2 GLU 3 HG2 GLU 3 3.154 9.319 3.417 26 HG3 GLU 3 HG1 GLU 3 4.065 8.175 4.401 27 HA PRO 4 HA PRO 4 7.040 14.803 4.332 28 HB2 PRO 4 HB2 PRO 4 7.414 15.006 7.038 29 HB3 PRO 4 HB1 PRO 4 6.024 15.704 6.187 30 HG2 PRO 4 HG2 PRO 4 6.212 13.188 7.766 31 HG3 PRO 4 HG1 PRO 4 4.897 14.373 7.678 32 HD2 PRO 4 HD2 PRO 4 4.847 11.993 6.335 33 HD3 PRO 4 HD1 PRO 4 4.013 13.453 5.759 34 H PHE 5 HN PHE 5 7.447 11.654 5.701 35 HA PHE 5 HA PHE 5 10.064 11.763 6.667 36 HB2 PHE 5 HB2 PHE 5 9.859 9.518 6.887 37 HB3 PHE 5 HB1 PHE 5 8.182 9.804 6.420 38 HD1 PHE 5 HD1 PHE 5 11.366 8.367 5.442 39 HD2 PHE 5 HD2 PHE 5 7.519 9.601 3.999 40 HE1 PHE 5 HE1 PHE 5 11.707 7.026 3.384 41 HE2 PHE 5 HE2 PHE 5 7.856 8.258 1.941 42 HZ PHE 5 HZ PHE 5 9.952 6.970 1.634 43 H GLN 6 HN GLN 6 8.878 12.003 3.446 44 HA GLN 6 HA GLN 6 11.163 11.035 2.054 45 HB2 GLN 6 HB2 GLN 6 8.779 12.695 1.382 46 HB3 GLN 6 HB1 GLN 6 10.154 12.734 0.275 47 HG2 GLN 6 HG2 GLN 6 10.102 10.170 0.382 48 HG3 GLN 6 HG1 GLN 6 8.517 10.349 1.129 49 HE21 GLN 6 HE21 GLN 6 8.258 9.059 -1.178 50 HE22 GLN 6 HE22 GLN 6 7.768 10.068 -2.452 51 H ILE 7 HN ILE 7 10.351 14.093 3.542 52 HA ILE 7 HA ILE 7 12.302 15.695 2.250 53 HB ILE 7 HB ILE 7 11.060 16.008 4.997 54 HG12 ILE 7 HG12 ILE 7 10.287 17.340 2.387 55 HG13 ILE 7 HG11 ILE 7 9.503 15.875 2.978 56 HG21 ILE 7 HG21 ILE 7 11.669 18.391 4.698 57 HG22 ILE 7 HG22 ILE 7 12.468 17.988 3.178 58 HG23 ILE 7 HG23 ILE 7 13.099 17.360 4.699 59 HD11 ILE 7 HD11 ILE 7 9.126 17.183 5.176 60 HD12 ILE 7 HD12 ILE 7 8.136 17.625 3.787 61 HD13 ILE 7 HD13 ILE 7 9.522 18.619 4.229 62 H LEU 8 HN LEU 8 12.327 13.870 5.291 63 HA LEU 8 HA LEU 8 14.985 14.631 6.006 64 HB2 LEU 8 HB2 LEU 8 13.384 13.895 7.700 65 HB3 LEU 8 HB1 LEU 8 13.301 12.302 6.949 66 HG LEU 8 HG LEU 8 16.054 13.119 7.481 67 HD11 LEU 8 HD11 LEU 8 15.945 12.969 9.918 68 HD12 LEU 8 HD12 LEU 8 14.194 12.759 9.852 69 HD13 LEU 8 HD13 LEU 8 14.919 14.292 9.369 70 HD21 LEU 8 HD21 LEU 8 14.282 10.777 8.246 71 HD22 LEU 8 HD22 LEU 8 16.002 10.863 8.632 72 HD23 LEU 8 HD23 LEU 8 15.477 10.831 6.949 73 H SER 9 HN SER 9 13.596 12.074 4.092 74 HA SER 9 HA SER 9 15.890 10.376 4.077 75 HB2 SER 9 HB2 SER 9 14.760 9.199 2.274 76 HB3 SER 9 HB1 SER 9 13.589 9.603 3.526 77 HG SER 9 HG SER 9 13.669 10.355 0.938 78 H ILE 10 HN ILE 10 14.636 12.822 1.823 79 HA ILE 10 HA ILE 10 16.790 12.498 -0.041 80 HB ILE 10 HB ILE 10 14.380 13.472 -0.393 81 HG12 ILE 10 HG12 ILE 10 16.633 14.997 -1.701 82 HG13 ILE 10 HG11 ILE 10 16.411 13.274 -2.011 83 HG21 ILE 10 HG21 ILE 10 14.197 15.846 -0.186 84 HG22 ILE 10 HG22 ILE 10 15.919 16.023 0.150 85 HG23 ILE 10 HG23 ILE 10 14.858 15.285 1.343 86 HD11 ILE 10 HD11 ILE 10 14.254 13.609 -2.946 87 HD12 ILE 10 HD12 ILE 10 15.240 14.904 -3.625 88 HD13 ILE 10 HD13 ILE 10 14.134 15.244 -2.295 89 H CYS 11 HN CYS 11 16.215 14.453 2.793 90 HA CYS 11 HA CYS 11 18.228 16.405 2.305 91 HB2 CYS 11 HB2 CYS 11 16.439 16.817 3.910 92 HB3 CYS 11 HB1 CYS 11 16.978 15.458 4.895 93 HG CYS 11 HG CYS 11 19.359 17.030 4.849 94 H SER 12 HN SER 12 18.168 13.528 4.419 95 HA SER 12 HA SER 12 20.912 13.699 5.132 96 HB2 SER 12 HB2 SER 12 18.939 11.417 5.245 97 HB3 SER 12 HB1 SER 12 20.578 11.321 5.887 98 HG SER 12 HG SER 12 18.354 12.643 6.841 99 H PHE 13 HN PHE 13 19.162 12.017 2.578 100 HA PHE 13 HA PHE 13 21.221 10.352 1.659 101 HB2 PHE 13 HB2 PHE 13 19.047 9.951 0.808 102 HB3 PHE 13 HB1 PHE 13 18.859 11.623 0.278 103 HD1 PHE 13 HD1 PHE 13 21.008 8.601 -0.265 104 HD2 PHE 13 HD2 PHE 13 19.390 12.217 -1.926 105 HE1 PHE 13 HE1 PHE 13 21.959 8.011 -2.478 106 HE2 PHE 13 HE2 PHE 13 20.341 11.628 -4.138 107 HZ PHE 13 HZ PHE 13 21.626 9.524 -4.415 108 H ILE 14 HN ILE 14 20.325 13.658 0.683 109 HA ILE 14 HA ILE 14 22.322 13.964 -1.286 110 HB ILE 14 HB ILE 14 20.818 15.965 0.400 111 HG12 ILE 14 HG12 ILE 14 20.633 15.382 -2.561 112 HG13 ILE 14 HG11 ILE 14 19.658 14.521 -1.372 113 HG21 ILE 14 HG21 ILE 14 22.834 16.381 -1.819 114 HG22 ILE 14 HG22 ILE 14 22.861 17.066 -0.194 115 HG23 ILE 14 HG23 ILE 14 21.654 17.609 -1.357 116 HD11 ILE 14 HD11 ILE 14 19.733 17.540 -1.628 117 HD12 ILE 14 HD12 ILE 14 18.645 16.589 -0.618 118 HD13 ILE 14 HD13 ILE 14 18.502 16.520 -2.375 119 H LEU 15 HN LEU 15 22.263 14.828 2.159 120 HA LEU 15 HA LEU 15 24.808 16.038 2.266 121 HB2 LEU 15 HB2 LEU 15 22.805 15.108 4.154 122 HB3 LEU 15 HB1 LEU 15 24.441 14.818 4.745 123 HG LEU 15 HG LEU 15 24.921 17.252 3.999 124 HD11 LEU 15 HD11 LEU 15 22.824 17.512 2.704 125 HD12 LEU 15 HD12 LEU 15 22.948 18.717 3.985 126 HD13 LEU 15 HD13 LEU 15 21.894 17.317 4.189 127 HD21 LEU 15 HD21 LEU 15 24.832 16.588 6.345 128 HD22 LEU 15 HD22 LEU 15 23.068 16.619 6.317 129 HD23 LEU 15 HD23 LEU 15 23.979 18.120 6.150 130 H SER 16 HN SER 16 23.904 12.741 3.298 131 HA SER 16 HA SER 16 26.386 11.715 3.838 132 HB2 SER 16 HB2 SER 16 24.360 10.424 4.218 133 HB3 SER 16 HB1 SER 16 24.058 10.327 2.485 134 HG SER 16 HG SER 16 25.718 8.959 2.259 135 H ALA 17 HN ALA 17 24.849 12.148 0.681 136 HA ALA 17 HA ALA 17 26.786 10.763 -0.853 137 HB1 ALA 17 HB1 ALA 17 24.717 12.848 -1.452 138 HB2 ALA 17 HB2 ALA 17 24.810 11.180 -2.010 139 HB3 ALA 17 HB3 ALA 17 25.892 12.397 -2.686 140 H LEU 18 HN LEU 18 26.460 14.182 0.044 141 HA LEU 18 HA LEU 18 28.793 15.051 -1.355 142 HB2 LEU 18 HB2 LEU 18 27.271 16.284 0.960 143 HB3 LEU 18 HB1 LEU 18 28.560 17.091 0.066 144 HG LEU 18 HG LEU 18 26.170 15.924 -1.352 145 HD11 LEU 18 HD11 LEU 18 25.264 18.278 -1.331 146 HD12 LEU 18 HD12 LEU 18 26.484 18.677 -0.120 147 HD13 LEU 18 HD13 LEU 18 25.237 17.485 0.242 148 HD21 LEU 18 HD21 LEU 18 28.129 16.492 -2.716 149 HD22 LEU 18 HD22 LEU 18 28.176 18.107 -2.009 150 HD23 LEU 18 HD23 LEU 18 26.826 17.634 -3.040 151 H HIS 19 HN HIS 19 28.235 13.544 1.730 152 HA HIS 19 HA HIS 19 30.620 14.369 3.029 153 HB2 HIS 19 HB2 HIS 19 28.718 13.476 4.281 154 HB3 HIS 19 HB1 HIS 19 28.900 11.921 3.469 155 HD2 HIS 19 HD2 HIS 19 30.472 10.196 4.930 156 HE1 HIS 19 HE1 HIS 19 32.694 13.067 7.084 157 HE2 HIS 19 HE2 HIS 19 32.307 10.581 6.749 158 H PHE 20 HN PHE 20 29.737 11.433 1.215 159 HA PHE 20 HA PHE 20 32.339 10.249 1.455 160 HB2 PHE 20 HB2 PHE 20 29.774 9.556 0.304 161 HB3 PHE 20 HB1 PHE 20 31.094 9.146 -0.791 162 HD1 PHE 20 HD1 PHE 20 29.981 8.812 2.763 163 HD2 PHE 20 HD2 PHE 20 32.443 7.256 -0.394 164 HE1 PHE 20 HE1 PHE 20 30.544 6.850 4.170 165 HE2 PHE 20 HE2 PHE 20 33.005 5.293 1.014 166 HZ PHE 20 HZ PHE 20 32.065 5.088 3.305 167 H MET 21 HN MET 21 30.806 12.457 -0.780 168 HA MET 21 HA MET 21 32.563 12.179 -2.975 169 HB2 MET 21 HB2 MET 21 30.405 13.447 -2.994 170 HB3 MET 21 HB1 MET 21 31.179 14.709 -2.033 171 HG2 MET 21 HG2 MET 21 31.419 15.464 -4.264 172 HG3 MET 21 HG1 MET 21 32.982 14.742 -3.900 173 HE1 MET 21 HE1 MET 21 29.409 12.857 -5.811 174 HE2 MET 21 HE2 MET 21 29.912 14.273 -6.725 175 HE3 MET 21 HE3 MET 21 29.577 14.419 -5.005 176 H ALA 22 HN ALA 22 32.590 14.608 -0.345 177 HA ALA 22 HA ALA 22 35.078 15.759 -1.042 178 HB1 ALA 22 HB1 ALA 22 33.829 15.610 1.710 179 HB2 ALA 22 HB2 ALA 22 33.402 16.801 0.480 180 HB3 ALA 22 HB3 ALA 22 35.031 16.778 1.158 181 H TRP 23 HN TRP 23 34.219 13.087 1.120 182 HA TRP 23 HA TRP 23 36.747 12.684 2.288 183 HB2 TRP 23 HB2 TRP 23 34.225 11.370 2.263 184 HB3 TRP 23 HB1 TRP 23 35.458 10.166 1.893 185 HD1 TRP 23 HD1 TRP 23 34.264 12.501 4.636 186 HE1 TRP 23 HE1 TRP 23 35.514 11.942 6.821 187 HE3 TRP 23 HE3 TRP 23 37.726 9.195 2.855 188 HZ2 TRP 23 HZ2 TRP 23 37.693 10.310 7.697 189 HZ3 TRP 23 HZ3 TRP 23 39.374 8.149 4.379 190 HH2 TRP 23 HH2 TRP 23 39.363 8.706 6.801 191 H THR 24 HN THR 24 35.297 11.209 -0.613 192 HA THR 24 HA THR 24 37.364 9.501 -1.319 193 HB THR 24 HB THR 24 35.519 11.093 -3.118 194 HG1 THR 24 HG1 THR 24 34.207 9.764 -2.129 195 HG21 THR 24 HG21 THR 24 37.370 8.765 -3.656 196 HG22 THR 24 HG22 THR 24 37.344 10.333 -4.463 197 HG23 THR 24 HG23 THR 24 36.028 9.186 -4.720 198 H ILE 25 HN ILE 25 36.883 12.910 -2.259 199 HA ILE 25 HA ILE 25 39.278 13.111 -3.779 200 HB ILE 25 HB ILE 25 37.373 15.060 -2.550 201 HG12 ILE 25 HG12 ILE 25 37.997 15.659 -5.225 202 HG13 ILE 25 HG11 ILE 25 37.949 13.899 -5.150 203 HG21 ILE 25 HG21 ILE 25 40.130 15.667 -3.633 204 HG22 ILE 25 HG22 ILE 25 39.433 16.176 -2.094 205 HG23 ILE 25 HG23 ILE 25 38.841 16.871 -3.601 206 HD11 ILE 25 HD11 ILE 25 35.721 13.870 -4.378 207 HD12 ILE 25 HD12 ILE 25 35.725 15.139 -5.602 208 HD13 ILE 25 HD13 ILE 25 35.769 15.566 -3.893 209 H GLY 26 HN GLY 26 38.539 13.653 -0.389 210 HA2 GLY 26 HA2 GLY 26 40.957 14.883 0.385 211 HA3 GLY 26 HA1 GLY 26 39.897 13.969 1.455 212 H HIS 27 HN HIS 27 39.992 11.450 0.447 213 HA HIS 27 HA HIS 27 42.423 10.437 1.438 214 HB2 HIS 27 HB2 HIS 27 40.242 9.191 1.320 215 HB3 HIS 27 HB1 HIS 27 40.510 9.008 -0.415 216 HD2 HIS 27 HD2 HIS 27 42.393 7.939 2.927 217 HE1 HIS 27 HE1 HIS 27 43.497 5.312 -0.188 218 HE2 HIS 27 HE2 HIS 27 43.745 5.797 2.292 219 H LEU 28 HN LEU 28 41.305 11.133 -1.835 220 HA LEU 28 HA LEU 28 43.608 9.984 -3.111 221 HB2 LEU 28 HB2 LEU 28 41.204 11.511 -3.956 222 HB3 LEU 28 HB1 LEU 28 42.616 11.615 -5.009 223 HG LEU 28 HG LEU 28 41.015 9.713 -5.537 224 HD11 LEU 28 HD11 LEU 28 43.760 8.724 -4.734 225 HD12 LEU 28 HD12 LEU 28 43.529 9.826 -6.091 226 HD13 LEU 28 HD13 LEU 28 42.782 8.231 -6.111 227 HD21 LEU 28 HD21 LEU 28 42.236 8.416 -3.086 228 HD22 LEU 28 HD22 LEU 28 40.911 7.828 -4.080 229 HD23 LEU 28 HD23 LEU 28 40.672 9.223 -3.035 230 H ASN 29 HN ASN 29 43.019 12.888 -1.451 231 HA ASN 29 HA ASN 29 44.234 14.801 -1.156 232 HB2 ASN 29 HB2 ASN 29 46.439 13.045 -2.258 233 HB3 ASN 29 HB1 ASN 29 46.683 14.594 -1.451 234 HD21 ASN 29 HD21 ASN 29 47.152 11.512 -0.744 235 HD22 ASN 29 HD22 ASN 29 46.628 11.445 0.870 236 H GLN 30 HN GLN 30 42.786 14.471 -3.629 237 HA GLN 30 HA GLN 30 44.306 15.269 -5.879 238 HB2 GLN 30 HB2 GLN 30 41.955 14.356 -5.911 239 HB3 GLN 30 HB1 GLN 30 41.404 15.935 -5.348 240 HG2 GLN 30 HG2 GLN 30 41.228 15.832 -7.784 241 HG3 GLN 30 HG1 GLN 30 42.480 16.986 -7.330 242 HE21 GLN 30 HE21 GLN 30 44.042 16.779 -8.964 243 HE22 GLN 30 HE22 GLN 30 44.729 15.304 -9.448 244 H ILE 31 HN ILE 31 42.669 17.107 -3.347 245 HA ILE 31 HA ILE 31 43.257 19.658 -4.578 246 HB ILE 31 HB ILE 31 41.248 19.160 -3.093 247 HG12 ILE 31 HG12 ILE 31 42.969 21.454 -2.122 248 HG13 ILE 31 HG11 ILE 31 42.182 21.463 -3.701 249 HG21 ILE 31 HG21 ILE 31 41.529 19.064 -0.743 250 HG22 ILE 31 HG22 ILE 31 43.203 19.613 -0.831 251 HG23 ILE 31 HG23 ILE 31 42.777 17.988 -1.367 252 HD11 ILE 31 HD11 ILE 31 40.740 22.602 -2.105 253 HD12 ILE 31 HD12 ILE 31 40.819 21.228 -1.004 254 HD13 ILE 31 HD13 ILE 31 39.992 21.069 -2.553 255 H LYS 32 HN LYS 32 44.741 17.524 -2.269 256 HA LYS 32 HA LYS 32 46.616 19.578 -1.369 257 HB2 LYS 32 HB2 LYS 32 46.332 16.664 -0.602 258 HB3 LYS 32 HB1 LYS 32 47.462 17.802 0.131 259 HG2 LYS 32 HG2 LYS 32 45.370 19.268 0.581 260 HG3 LYS 32 HG1 LYS 32 44.450 17.797 0.263 261 HD2 LYS 32 HD2 LYS 32 44.797 17.789 2.612 262 HD3 LYS 32 HD1 LYS 32 46.000 16.664 1.979 263 HE2 LYS 32 HE2 LYS 32 47.749 18.292 2.152 264 HE3 LYS 32 HE1 LYS 32 46.597 19.590 2.468 265 HZ1 LYS 32 HZ1 LYS 32 47.153 17.267 4.234 266 HZ2 LYS 32 HZ2 LYS 32 45.980 18.459 4.530 267 HZ3 LYS 32 HZ3 LYS 32 47.628 18.872 4.509 268 H ARG 33 HN ARG 33 46.368 17.607 -4.001 269 HA ARG 33 HA ARG 33 49.169 17.888 -4.619 270 HB2 ARG 33 HB2 ARG 33 48.583 15.599 -3.309 271 HB3 ARG 33 HB1 ARG 33 48.231 15.096 -4.961 272 HG2 ARG 33 HG2 ARG 33 50.621 16.524 -5.185 273 HG3 ARG 33 HG1 ARG 33 50.810 15.599 -3.695 274 HD2 ARG 33 HD2 ARG 33 50.566 13.548 -4.786 275 HD3 ARG 33 HD1 ARG 33 49.723 14.265 -6.156 276 HE ARG 33 HE ARG 33 52.305 15.339 -6.121 277 HH11 ARG 33 HH11 ARG 33 50.721 12.266 -6.481 278 HH12 ARG 33 HH12 ARG 33 51.945 11.612 -7.501 279 HH21 ARG 33 HH21 ARG 33 53.911 14.467 -7.467 280 HH22 ARG 33 HH22 ARG 33 53.749 12.847 -8.063 281 H1 MET 1 HT1 MET 1 -0.152 -3.049 7.233 282 H2 MET 1 HT2 MET 1 0.759 -2.480 5.916 283 H3 MET 1 HT3 MET 1 1.270 -2.166 7.507 284 HA MET 1 HA MET 1 1.302 -4.728 7.727 285 HB2 MET 1 HB2 MET 1 0.406 -4.522 5.137 286 HB3 MET 1 HB1 MET 1 2.141 -4.745 4.899 287 HG2 MET 1 HG2 MET 1 2.149 -6.846 5.875 288 HG3 MET 1 HG1 MET 1 0.732 -6.513 6.869 289 HE1 MET 1 HE1 MET 1 0.839 -6.088 2.623 290 HE2 MET 1 HE2 MET 1 1.240 -7.803 2.631 291 HE3 MET 1 HE3 MET 1 2.214 -6.677 3.566 292 H PHE 2 HN PHE 2 3.033 -2.846 5.229 293 HA PHE 2 HA PHE 2 5.477 -3.095 6.879 294 HB2 PHE 2 HB2 PHE 2 5.204 -3.078 3.866 295 HB3 PHE 2 HB1 PHE 2 6.741 -3.011 4.731 296 HD1 PHE 2 HD1 PHE 2 3.930 -5.121 3.725 297 HD2 PHE 2 HD2 PHE 2 7.484 -4.924 6.129 298 HE1 PHE 2 HE1 PHE 2 3.912 -7.590 3.954 299 HE2 PHE 2 HE2 PHE 2 7.467 -7.392 6.358 300 HZ PHE 2 HZ PHE 2 5.681 -8.726 5.271 301 H GLU 3 HN GLU 3 6.520 -1.256 7.387 302 HA GLU 3 HA GLU 3 5.365 1.239 6.425 303 HB2 GLU 3 HB2 GLU 3 7.196 0.595 8.728 304 HB3 GLU 3 HB1 GLU 3 6.780 2.249 8.272 305 HG2 GLU 3 HG2 GLU 3 4.675 0.148 8.802 306 HG3 GLU 3 HG1 GLU 3 5.329 1.163 10.087 307 HA PRO 4 HA PRO 4 8.781 2.074 3.762 308 HB2 PRO 4 HB2 PRO 4 8.742 4.811 3.764 309 HB3 PRO 4 HB1 PRO 4 7.549 3.818 2.905 310 HG2 PRO 4 HG2 PRO 4 7.320 5.199 5.533 311 HG3 PRO 4 HG1 PRO 4 6.121 5.027 4.237 312 HD2 PRO 4 HD2 PRO 4 6.089 3.490 6.496 313 HD3 PRO 4 HD1 PRO 4 5.475 2.920 4.927 314 H PHE 5 HN PHE 5 8.723 3.244 7.016 315 HA PHE 5 HA PHE 5 11.157 4.598 7.203 316 HB2 PHE 5 HB2 PHE 5 10.749 4.604 9.431 317 HB3 PHE 5 HB1 PHE 5 9.194 3.913 8.968 318 HD1 PHE 5 HD1 PHE 5 12.376 3.313 10.604 319 HD2 PHE 5 HD2 PHE 5 8.902 1.413 8.955 320 HE1 PHE 5 HE1 PHE 5 12.935 1.233 11.830 321 HE2 PHE 5 HE2 PHE 5 9.455 -0.672 10.181 322 HZ PHE 5 HZ PHE 5 11.474 -0.763 11.622 323 H GLN 6 HN GLN 6 10.513 1.259 6.657 324 HA GLN 6 HA GLN 6 12.909 0.159 7.726 325 HB2 GLN 6 HB2 GLN 6 10.793 -0.733 5.822 326 HB3 GLN 6 HB1 GLN 6 12.325 -1.611 5.825 327 HG2 GLN 6 HG2 GLN 6 12.065 -1.719 8.378 328 HG3 GLN 6 HG1 GLN 6 10.399 -1.214 8.111 329 HE21 GLN 6 HE21 GLN 6 10.400 -3.624 9.213 330 HE22 GLN 6 HE22 GLN 6 10.206 -4.875 8.082 331 H ILE 7 HN ILE 7 12.111 1.752 4.714 332 HA ILE 7 HA ILE 7 14.353 0.896 3.205 333 HB ILE 7 HB ILE 7 12.721 3.438 2.970 334 HG12 ILE 7 HG12 ILE 7 12.479 0.855 1.402 335 HG13 ILE 7 HG11 ILE 7 11.501 1.197 2.827 336 HG21 ILE 7 HG21 ILE 7 13.552 3.429 0.636 337 HG22 ILE 7 HG22 ILE 7 14.549 2.022 1.003 338 HG23 ILE 7 HG23 ILE 7 14.880 3.566 1.787 339 HD11 ILE 7 HD11 ILE 7 10.889 3.415 1.636 340 HD12 ILE 7 HD12 ILE 7 10.156 1.931 1.031 341 HD13 ILE 7 HD13 ILE 7 11.525 2.645 0.182 342 H LEU 8 HN LEU 8 13.765 3.765 5.214 343 HA LEU 8 HA LEU 8 16.328 4.925 4.737 344 HB2 LEU 8 HB2 LEU 8 14.429 6.292 5.447 345 HB3 LEU 8 HB1 LEU 8 14.348 5.412 6.973 346 HG LEU 8 HG LEU 8 17.034 6.417 6.432 347 HD11 LEU 8 HD11 LEU 8 16.534 8.790 6.734 348 HD12 LEU 8 HD12 LEU 8 14.805 8.444 6.788 349 HD13 LEU 8 HD13 LEU 8 15.708 8.198 5.293 350 HD21 LEU 8 HD21 LEU 8 14.997 6.713 8.659 351 HD22 LEU 8 HD22 LEU 8 16.632 7.370 8.746 352 HD23 LEU 8 HD23 LEU 8 16.387 5.627 8.621 353 H SER 9 HN SER 9 15.064 2.625 7.032 354 HA SER 9 HA SER 9 17.198 2.816 8.916 355 HB2 SER 9 HB2 SER 9 16.281 0.770 9.860 356 HB3 SER 9 HB1 SER 9 14.963 1.862 9.448 357 HG SER 9 HG SER 9 15.508 -0.611 8.517 358 H ILE 10 HN ILE 10 16.503 0.599 6.227 359 HA ILE 10 HA ILE 10 18.892 -0.938 6.613 360 HB ILE 10 HB ILE 10 16.649 -1.569 5.407 361 HG12 ILE 10 HG12 ILE 10 19.185 -2.396 3.995 362 HG13 ILE 10 HG11 ILE 10 18.894 -2.870 5.669 363 HG21 ILE 10 HG21 ILE 10 16.612 -1.194 3.048 364 HG22 ILE 10 HG22 ILE 10 18.272 -0.601 3.042 365 HG23 ILE 10 HG23 ILE 10 16.993 0.364 3.766 366 HD11 ILE 10 HD11 ILE 10 16.943 -4.094 5.099 367 HD12 ILE 10 HD12 ILE 10 18.110 -4.509 3.842 368 HD13 ILE 10 HD13 ILE 10 16.833 -3.340 3.507 369 H CYS 11 HN CYS 11 18.034 1.929 4.812 370 HA CYS 11 HA CYS 11 20.244 1.900 3.014 371 HB2 CYS 11 HB2 CYS 11 18.260 3.239 2.548 372 HB3 CYS 11 HB1 CYS 11 18.530 4.190 4.009 373 HG CYS 11 HG CYS 11 21.004 4.618 2.645 374 H SER 12 HN SER 12 19.629 3.749 6.011 375 HA SER 12 HA SER 12 22.230 4.882 6.126 376 HB2 SER 12 HB2 SER 12 20.102 4.503 8.235 377 HB3 SER 12 HB1 SER 12 21.601 5.385 8.509 378 HG SER 12 HG SER 12 19.351 6.085 7.086 379 H PHE 13 HN PHE 13 20.782 1.965 7.473 380 HA PHE 13 HA PHE 13 22.828 1.234 9.244 381 HB2 PHE 13 HB2 PHE 13 20.791 0.034 9.393 382 HB3 PHE 13 HB1 PHE 13 20.818 -0.381 7.679 383 HD1 PHE 13 HD1 PHE 13 22.788 -0.835 10.835 384 HD2 PHE 13 HD2 PHE 13 21.734 -2.423 6.985 385 HE1 PHE 13 HE1 PHE 13 24.029 -2.917 11.353 386 HE2 PHE 13 HE2 PHE 13 22.975 -4.506 7.504 387 HZ PHE 13 HZ PHE 13 24.123 -4.753 9.690 388 H ILE 14 HN ILE 14 22.349 0.405 5.810 389 HA ILE 14 HA ILE 14 24.646 -1.212 5.547 390 HB ILE 14 HB ILE 14 23.053 0.388 3.542 391 HG12 ILE 14 HG12 ILE 14 23.284 -2.607 3.914 392 HG13 ILE 14 HG11 ILE 14 22.071 -1.645 4.754 393 HG21 ILE 14 HG21 ILE 14 25.413 -1.465 3.157 394 HG22 ILE 14 HG22 ILE 14 25.238 0.194 2.584 395 HG23 ILE 14 HG23 ILE 14 24.272 -1.096 1.865 396 HD11 ILE 14 HD11 ILE 14 22.427 -1.662 1.744 397 HD12 ILE 14 HD12 ILE 14 21.126 -0.894 2.651 398 HD13 ILE 14 HD13 ILE 14 21.246 -2.651 2.603 399 H LEU 15 HN LEU 15 24.113 2.246 4.910 400 HA LEU 15 HA LEU 15 26.694 2.833 3.941 401 HB2 LEU 15 HB2 LEU 15 24.354 4.314 4.826 402 HB3 LEU 15 HB1 LEU 15 25.852 5.117 5.299 403 HG LEU 15 HG LEU 15 26.624 4.665 2.871 404 HD11 LEU 15 HD11 LEU 15 24.790 3.085 2.335 405 HD12 LEU 15 HD12 LEU 15 24.795 4.466 1.240 406 HD13 LEU 15 HD13 LEU 15 23.620 4.387 2.552 407 HD21 LEU 15 HD21 LEU 15 26.111 6.906 3.681 408 HD22 LEU 15 HD22 LEU 15 24.381 6.607 3.506 409 HD23 LEU 15 HD23 LEU 15 25.408 6.706 2.075 410 H SER 16 HN SER 16 25.394 3.456 7.209 411 HA SER 16 HA SER 16 27.674 4.274 8.484 412 HB2 SER 16 HB2 SER 16 25.518 4.236 9.614 413 HB3 SER 16 HB1 SER 16 25.492 2.475 9.570 414 HG SER 16 HG SER 16 27.049 2.403 11.066 415 H ALA 17 HN ALA 17 26.687 0.964 7.715 416 HA ALA 17 HA ALA 17 28.735 -0.363 9.154 417 HB1 ALA 17 HB1 ALA 17 26.945 -1.100 6.865 418 HB2 ALA 17 HB2 ALA 17 27.006 -1.772 8.494 419 HB3 ALA 17 HB3 ALA 17 28.266 -2.172 7.326 420 H LEU 18 HN LEU 18 28.526 0.756 5.790 421 HA LEU 18 HA LEU 18 31.107 -0.205 5.030 422 HB2 LEU 18 HB2 LEU 18 29.332 1.939 3.828 423 HB3 LEU 18 HB1 LEU 18 30.804 1.322 3.075 424 HG LEU 18 HG LEU 18 28.585 -0.533 3.938 425 HD11 LEU 18 HD11 LEU 18 27.879 -0.471 1.516 426 HD12 LEU 18 HD12 LEU 18 28.914 0.941 1.309 427 HD13 LEU 18 HD13 LEU 18 27.534 1.012 2.404 428 HD21 LEU 18 HD21 LEU 18 30.767 -1.544 3.462 429 HD22 LEU 18 HD22 LEU 18 30.841 -0.705 1.913 430 HD23 LEU 18 HD23 LEU 18 29.633 -1.961 2.180 431 H HIS 19 HN HIS 19 29.963 2.629 6.688 432 HA HIS 19 HA HIS 19 32.169 4.336 6.155 433 HB2 HIS 19 HB2 HIS 19 30.033 5.215 6.955 434 HB3 HIS 19 HB1 HIS 19 30.216 4.323 8.465 435 HD2 HIS 19 HD2 HIS 19 31.408 5.862 10.413 436 HE1 HIS 19 HE1 HIS 19 33.480 8.543 7.895 437 HE2 HIS 19 HE2 HIS 19 32.959 7.960 10.311 438 H PHE 20 HN PHE 20 31.362 2.181 8.871 439 HA PHE 20 HA PHE 20 33.795 2.713 10.294 440 HB2 PHE 20 HB2 PHE 20 31.400 1.128 10.674 441 HB3 PHE 20 HB1 PHE 20 32.843 0.222 11.126 442 HD1 PHE 20 HD1 PHE 20 31.149 3.522 11.596 443 HD2 PHE 20 HD2 PHE 20 33.955 0.668 13.155 444 HE1 PHE 20 HE1 PHE 20 31.321 4.835 13.693 445 HE2 PHE 20 HE2 PHE 20 34.127 1.981 15.251 446 HZ PHE 20 HZ PHE 20 32.801 4.063 15.522 447 H MET 21 HN MET 21 32.805 0.455 7.814 448 HA MET 21 HA MET 21 34.859 -1.462 8.099 449 HB2 MET 21 HB2 MET 21 32.834 -1.713 6.651 450 HB3 MET 21 HB1 MET 21 33.536 -0.545 5.529 451 HG2 MET 21 HG2 MET 21 34.182 -2.643 4.645 452 HG3 MET 21 HG1 MET 21 35.610 -2.104 5.520 453 HE1 MET 21 HE1 MET 21 32.267 -4.710 6.942 454 HE2 MET 21 HE2 MET 21 33.027 -5.399 5.512 455 HE3 MET 21 HE3 MET 21 32.416 -3.750 5.467 456 H ALA 22 HN ALA 22 34.657 1.338 5.875 457 HA ALA 22 HA ALA 22 37.304 1.109 4.897 458 HB1 ALA 22 HB1 ALA 22 35.631 3.620 5.113 459 HB2 ALA 22 HB2 ALA 22 35.494 2.436 3.812 460 HB3 ALA 22 HB3 ALA 22 36.989 3.348 4.021 461 H TRP 23 HN TRP 23 35.914 2.896 7.622 462 HA TRP 23 HA TRP 23 38.188 4.399 8.317 463 HB2 TRP 23 HB2 TRP 23 35.610 3.886 9.402 464 HB3 TRP 23 HB1 TRP 23 36.791 3.618 10.683 465 HD1 TRP 23 HD1 TRP 23 35.359 6.320 8.440 466 HE1 TRP 23 HE1 TRP 23 36.201 8.619 9.249 467 HE3 TRP 23 HE3 TRP 23 38.798 4.831 11.910 468 HZ2 TRP 23 HZ2 TRP 23 38.085 9.685 11.119 469 HZ3 TRP 23 HZ3 TRP 23 40.101 6.507 13.189 470 HH2 TRP 23 HH2 TRP 23 39.749 8.931 12.798 471 H THR 24 HN THR 24 37.106 1.206 9.472 472 HA THR 24 HA THR 24 39.123 0.687 11.301 473 HB THR 24 HB THR 24 37.709 -1.236 9.434 474 HG1 THR 24 HG1 THR 24 36.171 -0.535 10.712 475 HG21 THR 24 HG21 THR 24 39.442 -1.677 11.872 476 HG22 THR 24 HG22 THR 24 39.664 -2.345 10.256 477 HG23 THR 24 HG23 THR 24 38.323 -2.895 11.259 478 H ILE 25 HN ILE 25 39.056 -0.049 7.806 479 HA ILE 25 HA ILE 25 41.670 -1.162 7.713 480 HB ILE 25 HB ILE 25 39.744 -0.086 5.694 481 HG12 ILE 25 HG12 ILE 25 40.833 -2.574 4.968 482 HG13 ILE 25 HG11 ILE 25 40.642 -2.652 6.717 483 HG21 ILE 25 HG21 ILE 25 42.676 -0.683 5.252 484 HG22 ILE 25 HG22 ILE 25 41.786 0.774 4.800 485 HG23 ILE 25 HG23 ILE 25 41.490 -0.740 3.948 486 HD11 ILE 25 HD11 ILE 25 38.325 -2.248 6.610 487 HD12 ILE 25 HD12 ILE 25 38.619 -3.337 5.255 488 HD13 ILE 25 HD13 ILE 25 38.416 -1.609 4.968 489 H GLY 26 HN GLY 26 40.445 2.112 7.331 490 HA2 GLY 26 HA2 GLY 26 42.793 3.338 6.373 491 HA3 GLY 26 HA1 GLY 26 41.514 4.157 7.264 492 H HIS 27 HN HIS 27 41.581 2.984 9.709 493 HA HIS 27 HA HIS 27 43.743 4.246 10.991 494 HB2 HIS 27 HB2 HIS 27 41.522 3.688 12.032 495 HB3 HIS 27 HB1 HIS 27 42.053 2.009 12.119 496 HD2 HIS 27 HD2 HIS 27 43.303 5.504 13.562 497 HE1 HIS 27 HE1 HIS 27 44.672 2.398 16.071 498 HE2 HIS 27 HE2 HIS 27 44.571 4.917 15.767 499 H LEU 28 HN LEU 28 43.209 0.902 9.989 500 HA LEU 28 HA LEU 28 45.593 -0.095 11.239 501 HB2 LEU 28 HB2 LEU 28 43.472 -1.171 9.456 502 HB3 LEU 28 HB1 LEU 28 45.038 -1.984 9.402 503 HG LEU 28 HG LEU 28 43.405 -2.903 11.119 504 HD11 LEU 28 HD11 LEU 28 45.903 -1.773 12.397 505 HD12 LEU 28 HD12 LEU 28 45.978 -3.051 11.187 506 HD13 LEU 28 HD13 LEU 28 45.124 -3.321 12.704 507 HD21 LEU 28 HD21 LEU 28 44.118 -0.405 12.679 508 HD22 LEU 28 HD22 LEU 28 42.930 -1.636 13.084 509 HD23 LEU 28 HD23 LEU 28 42.629 -0.532 11.747 510 H ASN 29 HN ASN 29 44.971 1.685 8.417 511 HA ASN 29 HA ASN 29 46.265 2.314 6.639 512 HB2 ASN 29 HB2 ASN 29 48.480 1.420 8.499 513 HB3 ASN 29 HB1 ASN 29 48.706 2.381 7.039 514 HD21 ASN 29 HD21 ASN 29 48.840 2.901 10.185 515 HD22 ASN 29 HD22 ASN 29 48.058 4.402 10.321 516 H GLN 30 HN GLN 30 45.206 -0.373 6.679 517 HA GLN 30 HA GLN 30 47.115 -2.295 5.865 518 HB2 GLN 30 HB2 GLN 30 44.736 -2.757 6.560 519 HB3 GLN 30 HB1 GLN 30 44.225 -2.151 4.985 520 HG2 GLN 30 HG2 GLN 30 44.423 -4.585 4.895 521 HG3 GLN 30 HG1 GLN 30 45.676 -3.853 3.893 522 HE21 GLN 30 HE21 GLN 30 47.454 -5.245 4.121 523 HE22 GLN 30 HE22 GLN 30 48.089 -5.747 5.614 524 H ILE 31 HN ILE 31 45.241 0.095 4.061 525 HA ILE 31 HA ILE 31 46.213 -0.822 1.498 526 HB ILE 31 HB ILE 31 43.963 0.297 1.915 527 HG12 ILE 31 HG12 ILE 31 45.682 1.695 -0.149 528 HG13 ILE 31 HG11 ILE 31 45.153 0.021 -0.333 529 HG21 ILE 31 HG21 ILE 31 43.864 2.650 2.188 530 HG22 ILE 31 HG22 ILE 31 45.570 2.857 1.789 531 HG23 ILE 31 HG23 ILE 31 45.104 2.136 3.330 532 HD11 ILE 31 HD11 ILE 31 43.572 1.465 -1.485 533 HD12 ILE 31 HD12 ILE 31 43.373 2.460 -0.042 534 HD13 ILE 31 HD13 ILE 31 42.787 0.797 -0.054 535 H LYS 32 HN LYS 32 47.142 1.513 3.903 536 HA LYS 32 HA LYS 32 49.007 2.844 2.086 537 HB2 LYS 32 HB2 LYS 32 48.382 3.327 5.007 538 HB3 LYS 32 HB1 LYS 32 49.465 4.312 4.026 539 HG2 LYS 32 HG2 LYS 32 47.447 4.550 2.413 540 HG3 LYS 32 HG1 LYS 32 46.478 3.984 3.773 541 HD2 LYS 32 HD2 LYS 32 46.449 6.348 3.968 542 HD3 LYS 32 HD1 LYS 32 47.650 5.820 5.147 543 HE2 LYS 32 HE2 LYS 32 49.465 6.384 3.687 544 HE3 LYS 32 HE1 LYS 32 48.376 6.624 2.322 545 HZ1 LYS 32 HZ1 LYS 32 48.465 8.262 4.798 546 HZ2 LYS 32 HZ2 LYS 32 47.362 8.474 3.523 547 HZ3 LYS 32 HZ3 LYS 32 49.021 8.734 3.266 548 H ARG 33 HN ARG 33 49.029 0.052 3.831 549 HA ARG 33 HA ARG 33 51.903 -0.110 3.762 550 HB2 ARG 33 HB2 ARG 33 50.950 0.913 6.074 551 HB3 ARG 33 HB1 ARG 33 50.824 -0.808 6.433 552 HG2 ARG 33 HG2 ARG 33 53.319 -0.560 5.207 553 HG3 ARG 33 HG1 ARG 33 53.204 0.867 6.237 554 HD2 ARG 33 HD2 ARG 33 52.978 -0.401 8.186 555 HD3 ARG 33 HD1 ARG 33 52.418 -1.824 7.313 556 HE ARG 33 HE ARG 33 55.037 -1.312 6.473 557 HH11 ARG 33 HH11 ARG 33 53.297 -2.152 9.361 558 HH12 ARG 33 HH12 ARG 33 54.613 -3.028 10.053 559 HH21 ARG 33 HH21 ARG 33 56.763 -2.467 7.392 560 HH22 ARG 33 HH22 ARG 33 56.572 -3.209 8.946 561 H1 MET 1 HT1 MET 1 -0.585 2.717 21.044 562 H2 MET 1 HT2 MET 1 0.567 1.542 20.618 563 H3 MET 1 HT3 MET 1 0.853 3.181 20.272 564 HA MET 1 HA MET 1 0.614 3.487 22.817 565 HB2 MET 1 HB2 MET 1 0.169 0.783 22.655 566 HB3 MET 1 HB1 MET 1 1.894 0.838 23.026 567 HG2 MET 1 HG2 MET 1 1.563 1.866 25.077 568 HG3 MET 1 HG1 MET 1 0.038 2.602 24.586 569 HE1 MET 1 HE1 MET 1 0.862 -1.576 24.350 570 HE2 MET 1 HE2 MET 1 1.109 -1.461 26.090 571 HE3 MET 1 HE3 MET 1 2.014 -0.408 25.010 572 H PHE 2 HN PHE 2 2.882 1.262 21.179 573 HA PHE 2 HA PHE 2 4.995 3.298 21.564 574 HB2 PHE 2 HB2 PHE 2 5.221 0.282 21.649 575 HB3 PHE 2 HB1 PHE 2 6.595 1.389 21.674 576 HD1 PHE 2 HD1 PHE 2 3.812 -0.015 23.583 577 HD2 PHE 2 HD2 PHE 2 6.927 2.942 23.583 578 HE1 PHE 2 HE1 PHE 2 3.537 0.275 26.032 579 HE2 PHE 2 HE2 PHE 2 6.654 3.231 26.031 580 HZ PHE 2 HZ PHE 2 4.959 1.896 27.256 581 H GLU 3 HN GLU 3 6.078 3.935 19.792 582 HA GLU 3 HA GLU 3 5.325 2.720 17.256 583 HB2 GLU 3 HB2 GLU 3 6.692 5.313 17.946 584 HB3 GLU 3 HB1 GLU 3 6.500 4.747 16.286 585 HG2 GLU 3 HG2 GLU 3 4.166 4.985 18.192 586 HG3 GLU 3 HG1 GLU 3 4.683 6.325 17.171 587 HA PRO 4 HA PRO 4 9.185 0.632 16.819 588 HB2 PRO 4 HB2 PRO 4 9.383 0.554 14.088 589 HB3 PRO 4 HB1 PRO 4 8.272 -0.468 15.017 590 HG2 PRO 4 HG2 PRO 4 7.725 2.037 13.505 591 HG3 PRO 4 HG1 PRO 4 6.747 0.566 13.651 592 HD2 PRO 4 HD2 PRO 4 6.226 2.844 15.069 593 HD3 PRO 4 HD1 PRO 4 5.819 1.218 15.660 594 H PHE 5 HN PHE 5 8.710 3.799 15.514 595 HA PHE 5 HA PHE 5 11.192 4.342 14.358 596 HB2 PHE 5 HB2 PHE 5 10.438 6.473 14.225 597 HB3 PHE 5 HB1 PHE 5 8.921 5.780 14.800 598 HD1 PHE 5 HD1 PHE 5 11.730 7.932 15.597 599 HD2 PHE 5 HD2 PHE 5 8.410 5.787 17.266 600 HE1 PHE 5 HE1 PHE 5 11.894 9.289 17.667 601 HE2 PHE 5 HE2 PHE 5 8.570 7.142 19.337 602 HZ PHE 5 HZ PHE 5 10.313 8.894 19.537 603 H GLN 6 HN GLN 6 10.352 3.791 17.652 604 HA GLN 6 HA GLN 6 12.442 5.263 18.900 605 HB2 GLN 6 HB2 GLN 6 10.589 3.064 19.692 606 HB3 GLN 6 HB1 GLN 6 12.016 3.341 20.693 607 HG2 GLN 6 HG2 GLN 6 11.342 5.820 20.673 608 HG3 GLN 6 HG1 GLN 6 9.790 5.271 20.043 609 HE21 GLN 6 HE21 GLN 6 9.399 6.422 22.396 610 HE22 GLN 6 HE22 GLN 6 9.282 5.310 23.673 611 H ILE 7 HN ILE 7 12.278 2.125 17.365 612 HA ILE 7 HA ILE 7 14.651 1.023 18.461 613 HB ILE 7 HB ILE 7 13.304 0.455 15.807 614 HG12 ILE 7 HG12 ILE 7 13.094 -1.063 18.423 615 HG13 ILE 7 HG11 ILE 7 11.934 0.178 17.947 616 HG21 ILE 7 HG21 ILE 7 14.495 -1.707 15.972 617 HG22 ILE 7 HG22 ILE 7 15.287 -1.156 17.448 618 HG23 ILE 7 HG23 ILE 7 15.632 -0.361 15.911 619 HD11 ILE 7 HD11 ILE 7 11.705 -1.150 15.737 620 HD12 ILE 7 HD12 ILE 7 10.963 -1.836 17.182 621 HD13 ILE 7 HD13 ILE 7 12.506 -2.462 16.605 622 H LEU 8 HN LEU 8 14.001 2.829 15.472 623 HA LEU 8 HA LEU 8 16.696 2.746 14.546 624 HB2 LEU 8 HB2 LEU 8 14.832 3.106 13.003 625 HB3 LEU 8 HB1 LEU 8 14.434 4.620 13.815 626 HG LEU 8 HG LEU 8 17.249 4.494 13.051 627 HD11 LEU 8 HD11 LEU 8 16.907 4.664 10.635 628 HD12 LEU 8 HD12 LEU 8 15.170 4.437 10.842 629 HD13 LEU 8 HD13 LEU 8 16.282 3.118 11.211 630 HD21 LEU 8 HD21 LEU 8 14.920 6.359 12.507 631 HD22 LEU 8 HD22 LEU 8 16.572 6.693 11.991 632 HD23 LEU 8 HD23 LEU 8 16.193 6.564 13.709 633 H SER 9 HN SER 9 14.886 4.868 16.640 634 HA SER 9 HA SER 9 16.700 7.067 16.551 635 HB2 SER 9 HB2 SER 9 15.467 7.907 18.468 636 HB3 SER 9 HB1 SER 9 14.330 7.242 17.299 637 HG SER 9 HG SER 9 14.792 6.510 19.846 638 H ILE 10 HN ILE 10 16.252 4.364 18.817 639 HA ILE 10 HA ILE 10 18.409 5.174 20.522 640 HB ILE 10 HB ILE 10 16.341 3.643 21.023 641 HG12 ILE 10 HG12 ILE 10 18.990 2.681 22.104 642 HG13 ILE 10 HG11 ILE 10 18.397 4.298 22.484 643 HG21 ILE 10 HG21 ILE 10 16.712 1.299 20.747 644 HG22 ILE 10 HG22 ILE 10 18.393 1.544 20.279 645 HG23 ILE 10 HG23 ILE 10 17.096 2.025 19.193 646 HD11 ILE 10 HD11 ILE 10 16.461 3.452 23.569 647 HD12 ILE 10 HD12 ILE 10 17.777 2.422 24.133 648 HD13 ILE 10 HD13 ILE 10 16.678 1.842 22.881 649 H CYS 11 HN CYS 11 18.101 3.188 17.668 650 HA CYS 11 HA CYS 11 20.556 1.769 17.948 651 HB2 CYS 11 HB2 CYS 11 18.801 0.954 16.469 652 HB3 CYS 11 HB1 CYS 11 18.908 2.419 15.492 653 HG CYS 11 HG CYS 11 21.592 1.497 15.284 654 H SER 12 HN SER 12 19.639 4.576 15.932 655 HA SER 12 HA SER 12 22.278 5.085 15.019 656 HB2 SER 12 HB2 SER 12 19.819 6.833 15.138 657 HB3 SER 12 HB1 SER 12 21.327 7.317 14.366 658 HG SER 12 HG SER 12 19.389 5.551 13.543 659 H PHE 13 HN PHE 13 20.375 6.266 17.742 660 HA PHE 13 HA PHE 13 22.039 8.364 18.570 661 HB2 PHE 13 HB2 PHE 13 19.906 8.205 19.590 662 HB3 PHE 13 HB1 PHE 13 20.175 6.530 20.077 663 HD1 PHE 13 HD1 PHE 13 21.570 9.977 20.557 664 HD2 PHE 13 HD2 PHE 13 20.996 6.055 22.217 665 HE1 PHE 13 HE1 PHE 13 22.522 10.749 22.712 666 HE2 PHE 13 HE2 PHE 13 21.948 6.829 24.372 667 HZ PHE 13 HZ PHE 13 22.711 9.177 24.620 668 H ILE 14 HN ILE 14 22.046 4.923 19.503 669 HA ILE 14 HA ILE 14 24.208 5.084 21.309 670 HB ILE 14 HB ILE 14 23.108 2.803 19.666 671 HG12 ILE 14 HG12 ILE 14 23.014 3.287 22.651 672 HG13 ILE 14 HG11 ILE 14 21.768 3.885 21.560 673 HG21 ILE 14 HG21 ILE 14 25.337 2.865 21.710 674 HG22 ILE 14 HG22 ILE 14 25.389 2.215 20.071 675 HG23 ILE 14 HG23 ILE 14 24.450 1.391 21.317 676 HD11 ILE 14 HD11 ILE 14 22.613 0.979 21.739 677 HD12 ILE 14 HD12 ILE 14 21.258 1.629 20.816 678 HD13 ILE 14 HD13 ILE 14 21.217 1.655 22.579 679 H LEU 15 HN LEU 15 24.093 4.272 17.849 680 HA LEU 15 HA LEU 15 26.837 3.726 17.519 681 HB2 LEU 15 HB2 LEU 15 24.528 4.169 15.813 682 HB3 LEU 15 HB1 LEU 15 25.995 4.856 15.116 683 HG LEU 15 HG LEU 15 27.103 2.601 15.740 684 HD11 LEU 15 HD11 LEU 15 25.244 1.818 17.179 685 HD12 LEU 15 HD12 LEU 15 25.547 0.699 15.849 686 HD13 LEU 15 HD13 LEU 15 24.175 1.807 15.776 687 HD21 LEU 15 HD21 LEU 15 26.665 3.260 13.430 688 HD22 LEU 15 HD22 LEU 15 24.972 2.793 13.589 689 HD23 LEU 15 HD23 LEU 15 26.235 1.562 13.637 690 H SER 16 HN SER 16 25.091 6.716 16.656 691 HA SER 16 HA SER 16 27.201 8.322 15.975 692 HB2 SER 16 HB2 SER 16 24.904 9.091 15.782 693 HB3 SER 16 HB1 SER 16 24.720 9.084 17.535 694 HG SER 16 HG SER 16 26.020 10.806 17.689 695 H ALA 17 HN ALA 17 26.059 7.499 19.220 696 HA ALA 17 HA ALA 17 27.728 9.284 20.654 697 HB1 ALA 17 HB1 ALA 17 26.274 6.750 21.332 698 HB2 ALA 17 HB2 ALA 17 26.007 8.381 21.939 699 HB3 ALA 17 HB3 ALA 17 27.402 7.453 22.489 700 H LEU 18 HN LEU 18 28.158 5.904 19.658 701 HA LEU 18 HA LEU 18 30.735 5.601 20.851 702 HB2 LEU 18 HB2 LEU 18 29.369 4.067 18.622 703 HB3 LEU 18 HB1 LEU 18 30.883 3.581 19.388 704 HG LEU 18 HG LEU 18 28.398 4.119 21.013 705 HD11 LEU 18 HD11 LEU 18 28.104 1.612 20.999 706 HD12 LEU 18 HD12 LEU 18 29.282 1.539 19.689 707 HD13 LEU 18 HD13 LEU 18 27.755 2.387 19.453 708 HD21 LEU 18 HD21 LEU 18 30.529 4.043 22.224 709 HD22 LEU 18 HD22 LEU 18 30.928 2.503 21.464 710 HD23 LEU 18 HD23 LEU 18 29.584 2.604 22.601 711 H HIS 19 HN HIS 19 29.590 6.980 17.875 712 HA HIS 19 HA HIS 19 31.993 6.765 16.375 713 HB2 HIS 19 HB2 HIS 19 29.843 7.176 15.289 714 HB3 HIS 19 HB1 HIS 19 29.697 8.719 16.132 715 HD2 HIS 19 HD2 HIS 19 30.681 10.797 14.617 716 HE1 HIS 19 HE1 HIS 19 33.371 8.593 12.226 717 HE2 HIS 19 HE2 HIS 19 32.408 10.900 12.663 718 H PHE 20 HN PHE 20 30.573 9.371 18.340 719 HA PHE 20 HA PHE 20 32.780 11.162 17.951 720 HB2 PHE 20 HB2 PHE 20 30.230 11.180 19.323 721 HB3 PHE 20 HB1 PHE 20 31.498 11.889 20.323 722 HD1 PHE 20 HD1 PHE 20 30.041 11.985 16.879 723 HD2 PHE 20 HD2 PHE 20 32.294 14.062 19.890 724 HE1 PHE 20 HE1 PHE 20 29.984 14.047 15.502 725 HE2 PHE 20 HE2 PHE 20 32.236 16.123 18.513 726 HZ PHE 20 HZ PHE 20 31.079 16.108 16.309 727 H MET 21 HN MET 21 32.010 8.614 20.223 728 HA MET 21 HA MET 21 33.814 9.280 22.290 729 HB2 MET 21 HB2 MET 21 32.040 7.521 22.422 730 HB3 MET 21 HB1 MET 21 33.020 6.503 21.365 731 HG2 MET 21 HG2 MET 21 33.606 5.797 23.548 732 HG3 MET 21 HG1 MET 21 34.917 6.880 23.093 733 HE1 MET 21 HE1 MET 21 31.168 7.806 25.347 734 HE2 MET 21 HE2 MET 21 32.083 6.540 26.158 735 HE3 MET 21 HE3 MET 21 31.638 6.350 24.467 736 H ALA 22 HN ALA 22 34.228 6.972 19.586 737 HA ALA 22 HA ALA 22 36.972 6.461 20.069 738 HB1 ALA 22 HB1 ALA 22 35.522 6.324 17.421 739 HB2 ALA 22 HB2 ALA 22 35.487 5.054 18.645 740 HB3 ALA 22 HB3 ALA 22 37.006 5.480 17.856 741 H TRP 23 HN TRP 23 35.318 8.863 18.057 742 HA TRP 23 HA TRP 23 37.570 9.886 16.717 743 HB2 TRP 23 HB2 TRP 23 34.816 10.542 16.973 744 HB3 TRP 23 HB1 TRP 23 35.743 12.008 17.289 745 HD1 TRP 23 HD1 TRP 23 34.934 9.491 14.569 746 HE1 TRP 23 HE1 TRP 23 35.831 10.367 12.316 747 HE3 TRP 23 HE3 TRP 23 37.627 13.515 16.195 748 HZ2 TRP 23 HZ2 TRP 23 37.473 12.492 11.334 749 HZ3 TRP 23 HZ3 TRP 23 38.846 14.949 14.586 750 HH2 TRP 23 HH2 TRP 23 38.773 14.441 12.154 751 H THR 24 HN THR 24 36.037 10.937 19.759 752 HA THR 24 HA THR 24 37.681 13.084 20.369 753 HB THR 24 HB THR 24 36.423 11.062 22.242 754 HG1 THR 24 HG1 THR 24 34.769 12.051 21.363 755 HG21 THR 24 HG21 THR 24 37.695 13.762 22.725 756 HG22 THR 24 HG22 THR 24 38.116 12.221 23.475 757 HG23 THR 24 HG23 THR 24 36.588 13.006 23.871 758 H ILE 25 HN ILE 25 38.111 9.649 21.241 759 HA ILE 25 HA ILE 25 40.601 10.012 22.564 760 HB ILE 25 HB ILE 25 39.130 7.676 21.412 761 HG12 ILE 25 HG12 ILE 25 40.090 7.204 24.011 762 HG13 ILE 25 HG11 ILE 25 39.614 8.900 24.001 763 HG21 ILE 25 HG21 ILE 25 42.029 7.742 22.270 764 HG22 ILE 25 HG22 ILE 25 41.356 7.105 20.768 765 HG23 ILE 25 HG23 ILE 25 41.072 6.261 22.288 766 HD11 ILE 25 HD11 ILE 25 37.390 8.402 23.399 767 HD12 ILE 25 HD12 ILE 25 37.797 7.149 24.570 768 HD13 ILE 25 HD13 ILE 25 37.805 6.778 22.847 769 H GLY 26 HN GLY 26 39.744 9.341 19.220 770 HA2 GLY 26 HA2 GLY 26 42.314 8.750 18.231 771 HA3 GLY 26 HA1 GLY 26 40.983 9.392 17.272 772 H HIS 27 HN HIS 27 40.553 11.846 18.352 773 HA HIS 27 HA HIS 27 42.578 13.433 17.214 774 HB2 HIS 27 HB2 HIS 27 40.177 14.111 17.550 775 HB3 HIS 27 HB1 HIS 27 40.543 14.329 19.261 776 HD2 HIS 27 HD2 HIS 27 41.837 15.860 15.820 777 HE1 HIS 27 HE1 HIS 27 42.510 18.646 18.919 778 HE2 HIS 27 HE2 HIS 27 42.677 18.260 16.415 779 H LEU 28 HN LEU 28 41.923 12.455 20.544 780 HA LEU 28 HA LEU 28 43.981 14.103 21.677 781 HB2 LEU 28 HB2 LEU 28 42.091 12.027 22.652 782 HB3 LEU 28 HB1 LEU 28 43.567 12.258 23.591 783 HG LEU 28 HG LEU 28 41.601 13.707 24.296 784 HD11 LEU 28 HD11 LEU 28 43.955 15.339 23.325 785 HD12 LEU 28 HD12 LEU 28 44.102 14.201 24.663 786 HD13 LEU 28 HD13 LEU 28 42.995 15.569 24.783 787 HD21 LEU 28 HD21 LEU 28 42.274 15.292 21.804 788 HD22 LEU 28 HD22 LEU 28 40.930 15.530 22.911 789 HD23 LEU 28 HD23 LEU 28 40.951 14.131 21.845 790 H ASN 29 HN ASN 29 43.982 11.173 19.966 791 HA ASN 29 HA ASN 29 45.592 9.614 19.519 792 HB2 ASN 29 HB2 ASN 29 47.389 11.841 20.513 793 HB3 ASN 29 HB1 ASN 29 47.936 10.408 19.643 794 HD21 ASN 29 HD21 ASN 29 47.589 13.519 18.996 795 HD22 ASN 29 HD22 ASN 29 46.938 13.474 17.428 796 H GLN 30 HN GLN 30 44.310 9.543 22.101 797 HA GLN 30 HA GLN 30 46.152 9.110 24.208 798 HB2 GLN 30 HB2 GLN 30 43.665 9.424 24.449 799 HB3 GLN 30 HB1 GLN 30 43.461 7.772 23.867 800 HG2 GLN 30 HG2 GLN 30 43.464 7.770 26.308 801 HG3 GLN 30 HG1 GLN 30 44.921 6.974 25.722 802 HE21 GLN 30 HE21 GLN 30 46.509 7.528 27.248 803 HE22 GLN 30 HE22 GLN 30 46.845 9.117 27.742 804 H ILE 31 HN ILE 31 44.816 6.964 21.743 805 HA ILE 31 HA ILE 31 46.100 4.618 22.846 806 HB ILE 31 HB ILE 31 43.918 4.627 21.534 807 HG12 ILE 31 HG12 ILE 31 46.061 2.838 20.365 808 HG13 ILE 31 HG11 ILE 31 45.428 2.615 21.995 809 HG21 ILE 31 HG21 ILE 31 43.979 4.808 19.170 810 HG22 ILE 31 HG22 ILE 31 45.739 4.704 19.121 811 HG23 ILE 31 HG23 ILE 31 44.959 6.161 19.737 812 HD11 ILE 31 HD11 ILE 31 44.183 1.179 20.480 813 HD12 ILE 31 HD12 ILE 31 43.844 2.540 19.411 814 HD13 ILE 31 HD13 ILE 31 43.122 2.480 21.019 815 H LYS 32 HN LYS 32 46.833 7.081 20.505 816 HA LYS 32 HA LYS 32 49.071 5.558 19.399 817 HB2 LYS 32 HB2 LYS 32 48.024 8.322 18.750 818 HB3 LYS 32 HB1 LYS 32 49.337 7.509 17.898 819 HG2 LYS 32 HG2 LYS 32 47.639 5.578 17.558 820 HG3 LYS 32 HG1 LYS 32 46.414 6.771 17.988 821 HD2 LYS 32 HD2 LYS 32 46.560 6.901 15.625 822 HD3 LYS 32 HD1 LYS 32 47.505 8.273 16.201 823 HE2 LYS 32 HE2 LYS 32 49.573 7.116 15.843 824 HE3 LYS 32 HE1 LYS 32 48.740 5.584 15.572 825 HZ1 LYS 32 HZ1 LYS 32 48.579 7.996 13.847 826 HZ2 LYS 32 HZ2 LYS 32 47.707 6.559 13.600 827 HZ3 LYS 32 HZ3 LYS 32 49.402 6.557 13.483 828 H ARG 33 HN ARG 33 48.573 7.350 22.114 829 HA ARG 33 HA ARG 33 51.396 7.762 22.507 830 HB2 ARG 33 HB2 ARG 33 50.177 9.855 21.316 831 HB3 ARG 33 HB1 ARG 33 49.840 10.237 23.003 832 HG2 ARG 33 HG2 ARG 33 52.514 9.431 23.015 833 HG3 ARG 33 HG1 ARG 33 52.359 10.395 21.546 834 HD2 ARG 33 HD2 ARG 33 51.703 12.307 22.717 835 HD3 ARG 33 HD1 ARG 33 51.177 11.386 24.122 836 HE ARG 33 HE ARG 33 53.930 10.984 23.857 837 HH11 ARG 33 HH11 ARG 33 51.679 13.568 24.431 838 HH12 ARG 33 HH12 ARG 33 52.785 14.492 25.376 839 HH21 ARG 33 HH21 ARG 33 55.379 12.211 25.104 840 HH22 ARG 33 HH22 ARG 33 54.875 13.731 25.760 841 H1 MET 1 HT1 MET 1 -2.506 16.215 14.476 842 H2 MET 1 HT2 MET 1 -1.413 15.885 15.734 843 H3 MET 1 HT3 MET 1 -0.932 15.695 14.115 844 HA MET 1 HA MET 1 -1.528 18.193 13.923 845 HB2 MET 1 HB2 MET 1 -2.187 17.786 16.556 846 HB3 MET 1 HB1 MET 1 -0.541 18.407 16.694 847 HG2 MET 1 HG2 MET 1 -1.085 20.454 15.746 848 HG3 MET 1 HG1 MET 1 -2.447 19.795 14.839 849 HE1 MET 1 HE1 MET 1 -1.969 19.397 19.058 850 HE2 MET 1 HE2 MET 1 -1.981 21.159 19.066 851 HE3 MET 1 HE3 MET 1 -0.833 20.300 18.046 852 H PHE 2 HN PHE 2 0.751 16.735 16.259 853 HA PHE 2 HA PHE 2 2.958 17.575 14.473 854 HB2 PHE 2 HB2 PHE 2 2.893 17.489 17.496 855 HB3 PHE 2 HB1 PHE 2 4.341 17.787 16.536 856 HD1 PHE 2 HD1 PHE 2 1.189 19.174 17.758 857 HD2 PHE 2 HD2 PHE 2 4.516 19.822 15.120 858 HE1 PHE 2 HE1 PHE 2 0.576 21.570 17.572 859 HE2 PHE 2 HE2 PHE 2 3.903 22.218 14.934 860 HZ PHE 2 HZ PHE 2 1.933 23.092 16.161 861 H GLU 3 HN GLU 3 4.342 16.026 13.845 862 HA GLU 3 HA GLU 3 3.884 13.331 14.845 863 HB2 GLU 3 HB2 GLU 3 5.358 14.386 12.442 864 HB3 GLU 3 HB1 GLU 3 5.368 12.683 12.896 865 HG2 GLU 3 HG2 GLU 3 2.807 14.246 12.526 866 HG3 GLU 3 HG1 GLU 3 3.589 13.394 11.195 867 HA PRO 4 HA PRO 4 7.571 13.328 17.271 868 HB2 PRO 4 HB2 PRO 4 8.175 10.658 17.228 869 HB3 PRO 4 HB1 PRO 4 6.847 11.344 18.183 870 HG2 PRO 4 HG2 PRO 4 6.763 9.941 15.560 871 HG3 PRO 4 HG1 PRO 4 5.650 9.837 16.934 872 HD2 PRO 4 HD2 PRO 4 5.114 11.314 14.698 873 HD3 PRO 4 HD1 PRO 4 4.485 11.728 16.308 874 H PHE 5 HN PHE 5 7.572 12.182 14.010 875 HA PHE 5 HA PHE 5 10.240 11.440 13.641 876 HB2 PHE 5 HB2 PHE 5 9.693 11.341 11.445 877 HB3 PHE 5 HB1 PHE 5 8.054 11.647 12.020 878 HD1 PHE 5 HD1 PHE 5 10.892 12.979 10.192 879 HD2 PHE 5 HD2 PHE 5 7.186 14.008 12.093 880 HE1 PHE 5 HE1 PHE 5 10.864 15.135 8.967 881 HE2 PHE 5 HE2 PHE 5 7.153 16.166 10.869 882 HZ PHE 5 HZ PHE 5 8.995 16.729 9.300 883 H GLN 6 HN GLN 6 8.864 14.529 14.297 884 HA GLN 6 HA GLN 6 10.855 16.169 13.092 885 HB2 GLN 6 HB2 GLN 6 8.717 16.530 15.139 886 HB3 GLN 6 HB1 GLN 6 9.993 17.745 15.058 887 HG2 GLN 6 HG2 GLN 6 9.554 17.795 12.527 888 HG3 GLN 6 HG1 GLN 6 8.072 16.910 12.887 889 HE21 GLN 6 HE21 GLN 6 7.431 19.252 11.832 890 HE22 GLN 6 HE22 GLN 6 7.022 20.420 12.994 891 H ILE 7 HN ILE 7 10.658 14.421 16.115 892 HA ILE 7 HA ILE 7 12.732 15.782 17.492 893 HB ILE 7 HB ILE 7 11.761 12.928 17.791 894 HG12 ILE 7 HG12 ILE 7 11.025 15.384 19.410 895 HG13 ILE 7 HG11 ILE 7 10.059 14.813 18.050 896 HG21 ILE 7 HG21 ILE 7 12.724 13.120 20.061 897 HG22 ILE 7 HG22 ILE 7 13.325 14.731 19.668 898 HG23 ILE 7 HG23 ILE 7 13.967 13.320 18.828 899 HD11 ILE 7 HD11 ILE 7 10.064 12.522 19.247 900 HD12 ILE 7 HD12 ILE 7 9.057 13.795 19.934 901 HD13 ILE 7 HD13 ILE 7 10.615 13.416 20.665 902 H LEU 8 HN LEU 8 12.698 12.864 15.476 903 HA LEU 8 HA LEU 8 15.489 12.337 15.762 904 HB2 LEU 8 HB2 LEU 8 13.919 10.561 15.148 905 HB3 LEU 8 HB1 LEU 8 13.531 11.406 13.648 906 HG LEU 8 HG LEU 8 16.409 11.061 13.990 907 HD11 LEU 8 HD11 LEU 8 16.463 8.639 13.678 908 HD12 LEU 8 HD12 LEU 8 14.702 8.564 13.755 909 HD13 LEU 8 HD13 LEU 8 15.629 9.016 15.185 910 HD21 LEU 8 HD21 LEU 8 14.352 10.287 11.900 911 HD22 LEU 8 HD22 LEU 8 16.086 10.045 11.693 912 HD23 LEU 8 HD23 LEU 8 15.437 11.677 11.864 913 H SER 9 HN SER 9 13.565 14.282 13.600 914 HA SER 9 HA SER 9 15.550 14.604 11.576 915 HB2 SER 9 HB2 SER 9 14.112 16.363 10.720 916 HB3 SER 9 HB1 SER 9 13.116 15.000 11.221 917 HG SER 9 HG SER 9 13.149 17.542 12.133 918 H ILE 10 HN ILE 10 14.543 16.584 14.348 919 HA ILE 10 HA ILE 10 16.471 18.643 13.828 920 HB ILE 10 HB ILE 10 14.228 18.732 15.184 921 HG12 ILE 10 HG12 ILE 10 16.593 20.127 16.437 922 HG13 ILE 10 HG11 ILE 10 16.075 20.524 14.798 923 HG21 ILE 10 HG21 ILE 10 14.439 18.363 17.535 924 HG22 ILE 10 HG22 ILE 10 16.187 18.164 17.424 925 HG23 ILE 10 HG23 ILE 10 15.116 16.932 16.769 926 HD11 ILE 10 HD11 ILE 10 13.939 21.252 15.529 927 HD12 ILE 10 HD12 ILE 10 15.066 21.929 16.704 928 HD13 ILE 10 HD13 ILE 10 14.128 20.492 17.110 929 H CYS 11 HN CYS 11 16.431 15.654 15.628 930 HA CYS 11 HA CYS 11 18.686 16.196 17.283 931 HB2 CYS 11 HB2 CYS 11 17.115 14.424 17.850 932 HB3 CYS 11 HB1 CYS 11 17.494 13.572 16.353 933 HG CYS 11 HG CYS 11 20.090 13.709 17.518 934 H SER 12 HN SER 12 18.333 14.258 14.305 935 HA SER 12 HA SER 12 21.117 13.778 14.002 936 HB2 SER 12 HB2 SER 12 18.823 13.629 12.048 937 HB3 SER 12 HB1 SER 12 20.469 13.142 11.655 938 HG SER 12 HG SER 12 18.564 11.912 13.217 939 H PHE 13 HN PHE 13 18.931 16.265 12.802 940 HA PHE 13 HA PHE 13 20.620 17.460 10.907 941 HB2 PHE 13 HB2 PHE 13 18.352 18.140 10.914 942 HB3 PHE 13 HB1 PHE 13 18.397 18.553 12.628 943 HD1 PHE 13 HD1 PHE 13 19.992 19.455 9.358 944 HD2 PHE 13 HD2 PHE 13 18.838 20.755 13.286 945 HE1 PHE 13 HE1 PHE 13 20.665 21.774 8.789 946 HE2 PHE 13 HE2 PHE 13 19.511 23.073 12.718 947 HZ PHE 13 HZ PHE 13 20.424 23.583 10.469 948 H ILE 14 HN ILE 14 20.196 18.148 14.380 949 HA ILE 14 HA ILE 14 22.059 20.264 14.512 950 HB ILE 14 HB ILE 14 21.028 18.336 16.594 951 HG12 ILE 14 HG12 ILE 14 20.524 21.299 16.261 952 HG13 ILE 14 HG11 ILE 14 19.519 20.083 15.481 953 HG21 ILE 14 HG21 ILE 14 22.908 20.693 16.853 954 HG22 ILE 14 HG22 ILE 14 23.166 19.040 17.409 955 HG23 ILE 14 HG23 ILE 14 21.975 20.063 18.212 956 HD11 ILE 14 HD11 ILE 14 20.056 20.169 18.461 957 HD12 ILE 14 HD12 ILE 14 18.913 19.121 17.621 958 HD13 ILE 14 HD13 ILE 14 18.623 20.860 17.698 959 H LEU 15 HN LEU 15 22.401 16.772 15.117 960 HA LEU 15 HA LEU 15 25.109 16.831 15.917 961 HB2 LEU 15 HB2 LEU 15 23.133 14.829 15.163 962 HB3 LEU 15 HB1 LEU 15 24.748 14.400 14.596 963 HG LEU 15 HG LEU 15 25.532 15.042 16.979 964 HD11 LEU 15 HD11 LEU 15 23.407 16.132 17.637 965 HD12 LEU 15 HD12 LEU 15 23.806 14.793 18.714 966 HD13 LEU 15 HD13 LEU 15 22.573 14.586 17.471 967 HD21 LEU 15 HD21 LEU 15 25.518 12.740 16.162 968 HD22 LEU 15 HD22 LEU 15 23.788 12.612 16.476 969 HD23 LEU 15 HD23 LEU 15 24.918 12.774 17.821 970 H SER 16 HN SER 16 23.770 15.920 12.729 971 HA SER 16 HA SER 16 26.095 15.659 11.301 972 HB2 SER 16 HB2 SER 16 23.924 15.178 10.313 973 HB3 SER 16 HB1 SER 16 23.481 16.881 10.381 974 HG SER 16 HG SER 16 24.876 17.319 8.790 975 H ALA 17 HN ALA 17 24.407 18.634 12.193 976 HA ALA 17 HA ALA 17 25.975 20.415 10.640 977 HB1 ALA 17 HB1 ALA 17 24.225 20.703 13.057 978 HB2 ALA 17 HB2 ALA 17 24.006 21.365 11.438 979 HB3 ALA 17 HB3 ALA 17 25.213 22.060 12.520 980 H LEU 18 HN LEU 18 26.272 19.268 13.985 981 HA LEU 18 HA LEU 18 28.601 20.814 14.588 982 HB2 LEU 18 HB2 LEU 18 27.474 18.306 15.868 983 HB3 LEU 18 HB1 LEU 18 28.804 19.258 16.531 984 HG LEU 18 HG LEU 18 26.152 20.526 15.853 985 HD11 LEU 18 HD11 LEU 18 25.645 20.292 18.310 986 HD12 LEU 18 HD12 LEU 18 27.005 19.177 18.430 987 HD13 LEU 18 HD13 LEU 18 25.616 18.767 17.426 988 HD21 LEU 18 HD21 LEU 18 28.073 22.021 16.202 989 HD22 LEU 18 HD22 LEU 18 28.423 21.234 17.741 990 HD23 LEU 18 HD23 LEU 18 26.941 22.172 17.545 991 H HIS 19 HN HIS 19 28.041 17.786 12.968 992 HA HIS 19 HA HIS 19 30.615 16.644 13.318 993 HB2 HIS 19 HB2 HIS 19 28.691 15.296 12.638 994 HB3 HIS 19 HB1 HIS 19 28.562 16.212 11.137 995 HD2 HIS 19 HD2 HIS 19 29.937 14.990 9.090 996 HE1 HIS 19 HE1 HIS 19 32.752 12.873 11.416 997 HE2 HIS 19 HE2 HIS 19 31.942 13.316 9.052 998 H PHE 20 HN PHE 20 29.145 18.555 10.696 999 HA PHE 20 HA PHE 20 31.535 18.613 9.111 1000 HB2 PHE 20 HB2 PHE 20 28.816 19.589 8.912 1001 HB3 PHE 20 HB1 PHE 20 29.972 20.814 8.388 1002 HD1 PHE 20 HD1 PHE 20 29.089 17.204 7.965 1003 HD2 PHE 20 HD2 PHE 20 31.011 20.657 6.281 1004 HE1 PHE 20 HE1 PHE 20 29.430 15.977 5.837 1005 HE2 PHE 20 HE2 PHE 20 31.351 19.430 4.153 1006 HZ PHE 20 HZ PHE 20 30.563 17.088 3.922 1007 H MET 21 HN MET 21 30.214 20.569 11.691 1008 HA MET 21 HA MET 21 31.731 22.920 11.303 1009 HB2 MET 21 HB2 MET 21 29.810 22.684 12.883 1010 HB3 MET 21 HB1 MET 21 30.841 21.716 13.938 1011 HG2 MET 21 HG2 MET 21 31.031 23.906 14.812 1012 HG3 MET 21 HG1 MET 21 32.483 23.721 13.834 1013 HE1 MET 21 HE1 MET 21 28.528 25.457 12.665 1014 HE2 MET 21 HE2 MET 21 29.187 26.290 14.070 1015 HE3 MET 21 HE3 MET 21 28.992 24.543 14.103 1016 H ALA 22 HN ALA 22 32.351 20.159 13.499 1017 HA ALA 22 HA ALA 22 34.929 21.011 14.296 1018 HB1 ALA 22 HB1 ALA 22 33.892 18.176 14.158 1019 HB2 ALA 22 HB2 ALA 22 33.565 19.296 15.480 1020 HB3 ALA 22 HB3 ALA 22 35.216 18.766 15.160 1021 H TRP 23 HN TRP 23 33.817 18.940 11.646 1022 HA TRP 23 HA TRP 23 36.327 18.016 10.774 1023 HB2 TRP 23 HB2 TRP 23 33.632 17.908 9.873 1024 HB3 TRP 23 HB1 TRP 23 34.626 18.450 8.521 1025 HD1 TRP 23 HD1 TRP 23 34.023 15.480 10.803 1026 HE1 TRP 23 HE1 TRP 23 35.328 13.448 9.899 1027 HE3 TRP 23 HE3 TRP 23 36.777 17.748 7.147 1028 HZ2 TRP 23 HZ2 TRP 23 37.279 12.860 7.893 1029 HZ3 TRP 23 HZ3 TRP 23 38.349 16.432 5.757 1030 HH2 TRP 23 HH2 TRP 23 38.603 13.991 6.123 1031 H THR 24 HN THR 24 34.447 20.866 9.753 1032 HA THR 24 HA THR 24 36.156 21.847 7.800 1033 HB THR 24 HB THR 24 34.459 23.382 9.786 1034 HG1 THR 24 HG1 THR 24 33.045 22.340 8.607 1035 HG21 THR 24 HG21 THR 24 35.869 24.217 7.246 1036 HG22 THR 24 HG22 THR 24 36.034 24.923 8.854 1037 HG23 THR 24 HG23 THR 24 34.536 25.135 7.947 1038 H ILE 25 HN ILE 25 36.159 22.528 11.305 1039 HA ILE 25 HA ILE 25 38.433 24.236 11.244 1040 HB ILE 25 HB ILE 25 36.958 22.737 13.369 1041 HG12 ILE 25 HG12 ILE 25 37.473 25.414 14.054 1042 HG13 ILE 25 HG11 ILE 25 37.145 25.439 12.323 1043 HG21 ILE 25 HG21 ILE 25 39.692 24.002 13.618 1044 HG22 ILE 25 HG22 ILE 25 39.191 22.387 14.124 1045 HG23 ILE 25 HG23 ILE 25 38.616 23.803 15.002 1046 HD11 ILE 25 HD11 ILE 25 35.004 24.492 12.589 1047 HD12 ILE 25 HD12 ILE 25 35.127 25.627 13.933 1048 HD13 ILE 25 HD13 ILE 25 35.363 23.902 14.214 1049 H GLY 26 HN GLY 26 38.047 20.766 11.653 1050 HA2 GLY 26 HA2 GLY 26 40.679 20.136 12.435 1051 HA3 GLY 26 HA1 GLY 26 39.572 19.032 11.624 1052 H HIS 27 HN HIS 27 39.187 20.196 9.198 1053 HA HIS 27 HA HIS 27 41.491 19.476 7.752 1054 HB2 HIS 27 HB2 HIS 27 39.138 19.483 6.870 1055 HB3 HIS 27 HB1 HIS 27 39.241 21.241 6.776 1056 HD2 HIS 27 HD2 HIS 27 41.177 18.146 5.186 1057 HE1 HIS 27 HE1 HIS 27 41.606 21.498 2.656 1058 HE2 HIS 27 HE2 HIS 27 42.117 19.025 2.913 1059 H LEU 28 HN LEU 28 40.259 22.597 8.847 1060 HA LEU 28 HA LEU 28 42.249 24.126 7.452 1061 HB2 LEU 28 HB2 LEU 28 40.061 24.675 9.386 1062 HB3 LEU 28 HB1 LEU 28 41.390 25.834 9.348 1063 HG LEU 28 HG LEU 28 39.475 26.339 7.756 1064 HD11 LEU 28 HD11 LEU 28 42.081 25.830 6.309 1065 HD12 LEU 28 HD12 LEU 28 41.925 27.097 7.522 1066 HD13 LEU 28 HD13 LEU 28 40.937 27.144 6.063 1067 HD21 LEU 28 HD21 LEU 28 40.652 24.080 6.116 1068 HD22 LEU 28 HD22 LEU 28 39.181 24.995 5.807 1069 HD23 LEU 28 HD23 LEU 28 39.242 23.852 7.144 1070 H ASN 29 HN ASN 29 42.259 22.250 10.279 1071 HA ASN 29 HA ASN 29 43.779 21.946 11.958 1072 HB2 ASN 29 HB2 ASN 29 45.589 23.337 9.968 1073 HB3 ASN 29 HB1 ASN 29 46.136 22.461 11.397 1074 HD21 ASN 29 HD21 ASN 29 46.159 21.986 8.236 1075 HD22 ASN 29 HD22 ASN 29 45.754 20.340 8.134 1076 H GLN 30 HN GLN 30 42.115 24.299 12.040 1077 HA GLN 30 HA GLN 30 43.569 26.620 12.756 1078 HB2 GLN 30 HB2 GLN 30 41.113 26.513 12.213 1079 HB3 GLN 30 HB1 GLN 30 40.856 25.804 13.808 1080 HG2 GLN 30 HG2 GLN 30 40.487 28.217 13.925 1081 HG3 GLN 30 HG1 GLN 30 41.937 27.798 14.835 1082 HE21 GLN 30 HE21 GLN 30 43.320 29.571 14.517 1083 HE22 GLN 30 HE22 GLN 30 43.724 30.206 12.995 1084 H ILE 31 HN ILE 31 42.444 23.849 14.629 1085 HA ILE 31 HA ILE 31 43.333 24.971 17.145 1086 HB ILE 31 HB ILE 31 41.387 23.353 16.854 1087 HG12 ILE 31 HG12 ILE 31 43.520 22.396 18.780 1088 HG13 ILE 31 HG11 ILE 31 42.627 23.898 19.026 1089 HG21 ILE 31 HG21 ILE 31 41.824 21.044 16.546 1090 HG22 ILE 31 HG22 ILE 31 43.553 21.243 16.835 1091 HG23 ILE 31 HG23 ILE 31 42.833 21.838 15.339 1092 HD11 ILE 31 HD11 ILE 31 41.512 22.115 20.252 1093 HD12 ILE 31 HD12 ILE 31 41.449 21.112 18.802 1094 HD13 ILE 31 HD13 ILE 31 40.495 22.592 18.892 1095 H LYS 32 HN LYS 32 44.629 22.935 14.642 1096 HA LYS 32 HA LYS 32 46.869 22.076 16.312 1097 HB2 LYS 32 HB2 LYS 32 46.179 21.457 13.431 1098 HB3 LYS 32 HB1 LYS 32 47.527 20.757 14.326 1099 HG2 LYS 32 HG2 LYS 32 45.734 20.048 16.063 1100 HG3 LYS 32 HG1 LYS 32 44.570 20.375 14.778 1101 HD2 LYS 32 HD2 LYS 32 45.082 18.067 14.550 1102 HD3 LYS 32 HD1 LYS 32 46.038 18.864 13.298 1103 HE2 LYS 32 HE2 LYS 32 48.035 18.741 14.618 1104 HE3 LYS 32 HE1 LYS 32 47.133 18.254 16.053 1105 HZ1 LYS 32 HZ1 LYS 32 47.429 16.680 13.552 1106 HZ2 LYS 32 HZ2 LYS 32 46.494 16.217 14.893 1107 HZ3 LYS 32 HZ3 LYS 32 48.183 16.353 15.036 1108 H ARG 33 HN ARG 33 46.118 24.796 14.618 1109 HA ARG 33 HA ARG 33 48.872 25.626 14.497 1110 HB2 ARG 33 HB2 ARG 33 48.030 24.411 12.238 1111 HB3 ARG 33 HB1 ARG 33 47.476 26.054 11.917 1112 HG2 ARG 33 HG2 ARG 33 50.042 26.395 12.971 1113 HG3 ARG 33 HG1 ARG 33 50.191 24.988 11.919 1114 HD2 ARG 33 HD2 ARG 33 49.538 26.181 10.020 1115 HD3 ARG 33 HD1 ARG 33 48.721 27.426 10.960 1116 HE ARG 33 HE ARG 33 51.434 27.549 11.616 1117 HH11 ARG 33 HH11 ARG 33 49.364 27.949 8.854 1118 HH12 ARG 33 HH12 ARG 33 50.389 29.108 8.094 1119 HH21 ARG 33 HH21 ARG 33 52.778 29.076 10.606 1120 HH22 ARG 33 HH22 ARG 33 52.317 29.750 9.078 Start of MODEL 9 1 H1 MET 1 HT1 MET 1 0.678 13.883 -0.463 2 H2 MET 1 HT2 MET 1 1.392 14.434 0.976 3 H3 MET 1 HT3 MET 1 2.074 13.125 0.135 4 HA MET 1 HA MET 1 2.794 14.480 -1.630 5 HB2 MET 1 HB2 MET 1 2.246 17.023 -1.381 6 HB3 MET 1 HB1 MET 1 1.011 15.950 -2.040 7 HG2 MET 1 HG2 MET 1 -0.069 15.789 0.153 8 HG3 MET 1 HG1 MET 1 1.207 16.770 0.876 9 HE1 MET 1 HE1 MET 1 0.641 20.273 -0.087 10 HE2 MET 1 HE2 MET 1 1.832 19.197 -0.813 11 HE3 MET 1 HE3 MET 1 1.446 19.046 0.899 12 H PHE 2 HN PHE 2 4.862 14.299 -0.972 13 HA PHE 2 HA PHE 2 6.833 14.727 0.125 14 HB2 PHE 2 HB2 PHE 2 5.422 17.331 0.757 15 HB3 PHE 2 HB1 PHE 2 7.143 17.028 0.991 16 HD1 PHE 2 HD1 PHE 2 4.546 17.863 -1.395 17 HD2 PHE 2 HD2 PHE 2 8.575 16.428 -1.001 18 HE1 PHE 2 HE1 PHE 2 4.976 18.419 -3.774 19 HE2 PHE 2 HE2 PHE 2 9.006 16.984 -3.379 20 HZ PHE 2 HZ PHE 2 7.206 17.979 -4.765 21 H GLU 3 HN GLU 3 5.977 12.955 1.556 22 HA GLU 3 HA GLU 3 4.829 13.608 4.073 23 HB2 GLU 3 HB2 GLU 3 6.305 11.148 3.116 24 HB3 GLU 3 HB1 GLU 3 5.530 11.274 4.695 25 HG2 GLU 3 HG2 GLU 3 3.938 11.985 2.265 26 HG3 GLU 3 HG1 GLU 3 4.213 10.281 2.620 27 HA PRO 4 HA PRO 4 8.162 14.969 6.621 28 HB2 PRO 4 HB2 PRO 4 7.563 12.688 8.453 29 HB3 PRO 4 HB1 PRO 4 7.665 14.422 8.809 30 HG2 PRO 4 HG2 PRO 4 5.324 13.175 8.662 31 HG3 PRO 4 HG1 PRO 4 5.528 14.835 8.074 32 HD2 PRO 4 HD2 PRO 4 5.251 12.304 6.512 33 HD3 PRO 4 HD1 PRO 4 4.724 13.952 6.104 34 H PHE 5 HN PHE 5 7.975 11.417 6.337 35 HA PHE 5 HA PHE 5 10.730 10.953 6.877 36 HB2 PHE 5 HB2 PHE 5 9.811 8.912 7.043 37 HB3 PHE 5 HB1 PHE 5 8.401 9.395 6.101 38 HD1 PHE 5 HD1 PHE 5 11.821 8.009 5.933 39 HD2 PHE 5 HD2 PHE 5 8.321 9.087 3.685 40 HE1 PHE 5 HE1 PHE 5 12.696 6.764 3.975 41 HE2 PHE 5 HE2 PHE 5 9.197 7.842 1.725 42 HZ PHE 5 HZ PHE 5 11.387 6.678 1.868 43 H GLN 6 HN GLN 6 8.915 11.672 3.969 44 HA GLN 6 HA GLN 6 10.835 10.900 2.049 45 HB2 GLN 6 HB2 GLN 6 8.450 11.469 1.561 46 HB3 GLN 6 HB1 GLN 6 8.841 13.167 1.843 47 HG2 GLN 6 HG2 GLN 6 8.962 12.741 -0.543 48 HG3 GLN 6 HG1 GLN 6 10.598 12.999 0.062 49 HE21 GLN 6 HE21 GLN 6 11.683 11.662 -1.499 50 HE22 GLN 6 HE22 GLN 6 11.453 9.983 -1.576 51 H ILE 7 HN ILE 7 10.236 14.006 3.641 52 HA ILE 7 HA ILE 7 12.354 15.369 2.271 53 HB ILE 7 HB ILE 7 11.726 17.254 3.444 54 HG12 ILE 7 HG12 ILE 7 11.224 15.378 5.761 55 HG13 ILE 7 HG11 ILE 7 12.439 16.643 5.640 56 HG21 ILE 7 HG21 ILE 7 9.682 15.972 2.456 57 HG22 ILE 7 HG22 ILE 7 9.369 17.309 3.562 58 HG23 ILE 7 HG23 ILE 7 9.265 15.645 4.138 59 HD11 ILE 7 HD11 ILE 7 9.456 16.940 5.997 60 HD12 ILE 7 HD12 ILE 7 10.452 18.275 5.420 61 HD13 ILE 7 HD13 ILE 7 10.747 17.578 7.012 62 H LEU 8 HN LEU 8 12.134 13.476 5.181 63 HA LEU 8 HA LEU 8 14.595 14.322 6.347 64 HB2 LEU 8 HB2 LEU 8 12.750 13.226 7.615 65 HB3 LEU 8 HB1 LEU 8 13.097 11.722 6.762 66 HG LEU 8 HG LEU 8 15.544 12.825 7.813 67 HD11 LEU 8 HD11 LEU 8 13.445 12.223 9.914 68 HD12 LEU 8 HD12 LEU 8 13.889 13.863 9.441 69 HD13 LEU 8 HD13 LEU 8 15.092 12.800 10.173 70 HD21 LEU 8 HD21 LEU 8 15.508 10.586 9.013 71 HD22 LEU 8 HD22 LEU 8 15.312 10.493 7.263 72 HD23 LEU 8 HD23 LEU 8 13.909 10.324 8.317 73 H SER 9 HN SER 9 13.663 11.807 4.067 74 HA SER 9 HA SER 9 16.238 10.509 4.109 75 HB2 SER 9 HB2 SER 9 15.342 9.142 2.316 76 HB3 SER 9 HB1 SER 9 14.122 9.307 3.574 77 HG SER 9 HG SER 9 13.334 9.667 1.415 78 H ILE 10 HN ILE 10 14.599 12.951 2.172 79 HA ILE 10 HA ILE 10 16.447 13.005 0.018 80 HB ILE 10 HB ILE 10 14.530 15.071 1.103 81 HG12 ILE 10 HG12 ILE 10 14.464 13.516 -1.494 82 HG13 ILE 10 HG11 ILE 10 13.714 12.917 -0.019 83 HG21 ILE 10 HG21 ILE 10 16.387 15.163 -1.284 84 HG22 ILE 10 HG22 ILE 10 16.245 16.340 0.023 85 HG23 ILE 10 HG23 ILE 10 14.949 16.176 -1.161 86 HD11 ILE 10 HD11 ILE 10 12.078 14.134 -1.420 87 HD12 ILE 10 HD12 ILE 10 13.097 15.571 -1.349 88 HD13 ILE 10 HD13 ILE 10 12.335 14.957 0.119 89 H CYS 11 HN CYS 11 16.232 14.859 3.058 90 HA CYS 11 HA CYS 11 18.473 16.517 2.527 91 HB2 CYS 11 HB2 CYS 11 16.765 17.057 4.219 92 HB3 CYS 11 HB1 CYS 11 17.284 15.671 5.179 93 HG CYS 11 HG CYS 11 18.949 17.216 6.162 94 H SER 12 HN SER 12 18.135 13.608 4.606 95 HA SER 12 HA SER 12 20.827 13.422 5.334 96 HB2 SER 12 HB2 SER 12 19.005 12.131 6.396 97 HB3 SER 12 HB1 SER 12 18.852 11.167 4.930 98 HG SER 12 HG SER 12 21.159 11.420 6.573 99 H PHE 13 HN PHE 13 19.102 12.108 2.535 100 HA PHE 13 HA PHE 13 21.131 10.505 1.477 101 HB2 PHE 13 HB2 PHE 13 18.866 10.422 0.605 102 HB3 PHE 13 HB1 PHE 13 18.983 12.095 0.060 103 HD1 PHE 13 HD1 PHE 13 20.798 8.827 -0.274 104 HD2 PHE 13 HD2 PHE 13 19.626 12.513 -2.145 105 HE1 PHE 13 HE1 PHE 13 21.800 8.063 -2.408 106 HE2 PHE 13 HE2 PHE 13 20.629 11.748 -4.281 107 HZ PHE 13 HZ PHE 13 21.718 9.523 -4.412 108 H ILE 14 HN ILE 14 20.398 13.945 0.875 109 HA ILE 14 HA ILE 14 22.437 14.420 -0.998 110 HB ILE 14 HB ILE 14 21.103 16.236 1.017 111 HG12 ILE 14 HG12 ILE 14 20.819 16.114 -1.995 112 HG13 ILE 14 HG11 ILE 14 19.795 15.178 -0.906 113 HG21 ILE 14 HG21 ILE 14 23.180 17.304 0.563 114 HG22 ILE 14 HG22 ILE 14 22.030 18.059 -0.539 115 HG23 ILE 14 HG23 ILE 14 23.144 16.829 -1.135 116 HD11 ILE 14 HD11 ILE 14 18.584 17.186 -1.330 117 HD12 ILE 14 HD12 ILE 14 20.022 18.184 -1.120 118 HD13 ILE 14 HD13 ILE 14 19.284 17.397 0.275 119 H LEU 15 HN LEU 15 22.440 14.649 2.551 120 HA LEU 15 HA LEU 15 25.062 15.652 2.818 121 HB2 LEU 15 HB2 LEU 15 23.129 14.266 4.602 122 HB3 LEU 15 HB1 LEU 15 24.818 14.311 5.107 123 HG LEU 15 HG LEU 15 23.391 16.798 4.169 124 HD11 LEU 15 HD11 LEU 15 23.608 15.771 7.016 125 HD12 LEU 15 HD12 LEU 15 22.124 15.791 6.063 126 HD13 LEU 15 HD13 LEU 15 22.902 17.307 6.514 127 HD21 LEU 15 HD21 LEU 15 25.807 16.961 4.271 128 HD22 LEU 15 HD22 LEU 15 25.835 16.213 5.868 129 HD23 LEU 15 HD23 LEU 15 25.155 17.827 5.661 130 H SER 16 HN SER 16 23.915 12.300 3.265 131 HA SER 16 HA SER 16 26.302 11.012 3.631 132 HB2 SER 16 HB2 SER 16 25.236 9.011 2.691 133 HB3 SER 16 HB1 SER 16 24.093 9.903 3.692 134 HG SER 16 HG SER 16 23.583 9.160 1.353 135 H ALA 17 HN ALA 17 24.854 11.972 0.540 136 HA ALA 17 HA ALA 17 26.753 10.777 -1.162 137 HB1 ALA 17 HB1 ALA 17 25.135 13.306 -1.592 138 HB2 ALA 17 HB2 ALA 17 24.593 11.667 -1.956 139 HB3 ALA 17 HB3 ALA 17 25.938 12.373 -2.853 140 H LEU 18 HN LEU 18 26.583 14.074 0.199 141 HA LEU 18 HA LEU 18 29.049 14.923 -0.957 142 HB2 LEU 18 HB2 LEU 18 27.102 15.998 1.007 143 HB3 LEU 18 HB1 LEU 18 28.746 16.627 1.106 144 HG LEU 18 HG LEU 18 27.172 17.903 -0.438 145 HD11 LEU 18 HD11 LEU 18 29.729 17.866 -0.537 146 HD12 LEU 18 HD12 LEU 18 28.900 18.354 -2.016 147 HD13 LEU 18 HD13 LEU 18 29.561 16.726 -1.872 148 HD21 LEU 18 HD21 LEU 18 27.636 15.588 -2.332 149 HD22 LEU 18 HD22 LEU 18 26.544 16.957 -2.530 150 HD23 LEU 18 HD23 LEU 18 26.179 15.703 -1.346 151 H HIS 19 HN HIS 19 28.262 13.011 1.776 152 HA HIS 19 HA HIS 19 30.525 13.560 3.399 153 HB2 HIS 19 HB2 HIS 19 28.336 12.379 4.049 154 HB3 HIS 19 HB1 HIS 19 29.037 10.939 3.309 155 HD2 HIS 19 HD2 HIS 19 31.771 10.389 4.497 156 HE1 HIS 19 HE1 HIS 19 30.586 12.004 8.214 157 HE2 HIS 19 HE2 HIS 19 32.338 10.591 7.038 158 H PHE 20 HN PHE 20 29.786 10.707 1.345 159 HA PHE 20 HA PHE 20 32.450 9.724 1.480 160 HB2 PHE 20 HB2 PHE 20 29.952 9.012 0.077 161 HB3 PHE 20 HB1 PHE 20 31.432 8.563 -0.770 162 HD1 PHE 20 HD1 PHE 20 29.275 7.875 2.087 163 HD2 PHE 20 HD2 PHE 20 33.154 7.146 0.394 164 HE1 PHE 20 HE1 PHE 20 29.591 5.959 3.640 165 HE2 PHE 20 HE2 PHE 20 33.476 5.233 1.942 166 HZ PHE 20 HZ PHE 20 31.702 4.630 3.576 167 H MET 21 HN MET 21 30.831 12.052 -0.547 168 HA MET 21 HA MET 21 32.564 12.010 -2.770 169 HB2 MET 21 HB2 MET 21 30.437 13.202 -2.815 170 HB3 MET 21 HB1 MET 21 30.990 14.295 -1.546 171 HG2 MET 21 HG2 MET 21 32.655 15.251 -2.974 172 HG3 MET 21 HG1 MET 21 32.419 13.999 -4.195 173 HE1 MET 21 HE1 MET 21 31.192 16.946 -6.144 174 HE2 MET 21 HE2 MET 21 32.565 15.977 -5.617 175 HE3 MET 21 HE3 MET 21 32.128 17.431 -4.723 176 H ALA 22 HN ALA 22 32.604 14.041 0.157 177 HA ALA 22 HA ALA 22 35.001 15.401 -0.436 178 HB1 ALA 22 HB1 ALA 22 33.562 14.825 2.155 179 HB2 ALA 22 HB2 ALA 22 33.659 16.347 1.271 180 HB3 ALA 22 HB3 ALA 22 35.078 15.726 2.111 181 H TRP 23 HN TRP 23 34.318 12.356 1.196 182 HA TRP 23 HA TRP 23 36.917 11.837 2.166 183 HB2 TRP 23 HB2 TRP 23 34.531 10.165 1.500 184 HB3 TRP 23 HB1 TRP 23 36.068 9.358 1.797 185 HD1 TRP 23 HD1 TRP 23 35.635 12.528 3.731 186 HE1 TRP 23 HE1 TRP 23 35.175 11.977 6.204 187 HE3 TRP 23 HE3 TRP 23 34.749 7.507 3.374 188 HZ2 TRP 23 HZ2 TRP 23 34.500 9.724 7.813 189 HZ3 TRP 23 HZ3 TRP 23 34.195 6.188 5.396 190 HH2 TRP 23 HH2 TRP 23 34.070 7.290 7.612 191 H THR 24 HN THR 24 35.391 10.993 -0.926 192 HA THR 24 HA THR 24 37.492 9.497 -1.997 193 HB THR 24 HB THR 24 35.554 11.341 -3.415 194 HG1 THR 24 HG1 THR 24 34.259 9.857 -2.688 195 HG21 THR 24 HG21 THR 24 37.422 9.181 -4.397 196 HG22 THR 24 HG22 THR 24 37.310 10.852 -4.948 197 HG23 THR 24 HG23 THR 24 36.021 9.711 -5.325 198 H ILE 25 HN ILE 25 36.897 13.010 -2.099 199 HA ILE 25 HA ILE 25 39.198 13.606 -3.673 200 HB ILE 25 HB ILE 25 37.690 15.378 -1.731 201 HG12 ILE 25 HG12 ILE 25 36.149 14.488 -3.375 202 HG13 ILE 25 HG11 ILE 25 36.518 16.151 -3.825 203 HG21 ILE 25 HG21 ILE 25 38.586 17.217 -3.099 204 HG22 ILE 25 HG22 ILE 25 39.474 16.057 -4.085 205 HG23 ILE 25 HG23 ILE 25 39.890 16.272 -2.384 206 HD11 ILE 25 HD11 ILE 25 36.684 14.940 -5.859 207 HD12 ILE 25 HD12 ILE 25 37.533 13.600 -5.086 208 HD13 ILE 25 HD13 ILE 25 38.355 15.140 -5.336 209 H GLY 26 HN GLY 26 38.601 13.442 -0.224 210 HA2 GLY 26 HA2 GLY 26 41.053 14.502 0.673 211 HA3 GLY 26 HA1 GLY 26 40.052 13.374 1.582 212 H HIS 27 HN HIS 27 40.095 11.142 0.009 213 HA HIS 27 HA HIS 27 42.558 9.933 0.661 214 HB2 HIS 27 HB2 HIS 27 40.478 8.653 0.407 215 HB3 HIS 27 HB1 HIS 27 40.456 9.020 -1.319 216 HD2 HIS 27 HD2 HIS 27 43.845 8.001 0.404 217 HE1 HIS 27 HE1 HIS 27 42.660 4.852 -2.146 218 HE2 HIS 27 HE2 HIS 27 44.531 5.718 -0.663 219 H LEU 28 HN LEU 28 41.329 11.340 -2.338 220 HA LEU 28 HA LEU 28 43.652 10.554 -3.875 221 HB2 LEU 28 HB2 LEU 28 41.259 12.302 -4.432 222 HB3 LEU 28 HB1 LEU 28 42.590 12.134 -5.576 223 HG LEU 28 HG LEU 28 41.193 9.721 -4.416 224 HD11 LEU 28 HD11 LEU 28 40.528 11.160 -7.004 225 HD12 LEU 28 HD12 LEU 28 39.526 11.192 -5.552 226 HD13 LEU 28 HD13 LEU 28 39.783 9.673 -6.412 227 HD21 LEU 28 HD21 LEU 28 42.943 10.286 -6.825 228 HD22 LEU 28 HD22 LEU 28 42.051 8.778 -6.625 229 HD23 LEU 28 HD23 LEU 28 43.300 9.225 -5.463 230 H ASN 29 HN ASN 29 42.985 12.995 -1.623 231 HA ASN 29 HA ASN 29 44.111 14.884 -0.976 232 HB2 ASN 29 HB2 ASN 29 46.035 13.176 -1.325 233 HB3 ASN 29 HB1 ASN 29 46.363 14.085 -2.800 234 HD21 ASN 29 HD21 ASN 29 48.229 15.265 -2.205 235 HD22 ASN 29 HD22 ASN 29 48.295 16.310 -0.870 236 H GLN 30 HN GLN 30 42.330 15.068 -3.191 237 HA GLN 30 HA GLN 30 41.698 16.555 -4.822 238 HB2 GLN 30 HB2 GLN 30 44.046 18.183 -3.825 239 HB3 GLN 30 HB1 GLN 30 42.674 18.777 -4.759 240 HG2 GLN 30 HG2 GLN 30 41.150 18.105 -2.927 241 HG3 GLN 30 HG1 GLN 30 42.540 17.562 -1.986 242 HE21 GLN 30 HE21 GLN 30 44.367 19.459 -1.955 243 HE22 GLN 30 HE22 GLN 30 43.753 20.989 -1.549 244 H ILE 31 HN ILE 31 43.999 14.527 -5.210 245 HA ILE 31 HA ILE 31 45.330 13.835 -6.936 246 HB ILE 31 HB ILE 31 43.892 15.983 -8.518 247 HG12 ILE 31 HG12 ILE 31 43.170 13.047 -8.211 248 HG13 ILE 31 HG11 ILE 31 42.385 14.339 -7.304 249 HG21 ILE 31 HG21 ILE 31 45.514 13.530 -9.244 250 HG22 ILE 31 HG22 ILE 31 45.753 15.194 -9.778 251 HG23 ILE 31 HG23 ILE 31 44.381 14.265 -10.378 252 HD11 ILE 31 HD11 ILE 31 41.005 13.938 -9.218 253 HD12 ILE 31 HD12 ILE 31 42.398 13.935 -10.301 254 HD13 ILE 31 HD13 ILE 31 41.876 15.438 -9.541 255 H LYS 32 HN LYS 32 47.181 14.444 -8.239 256 HA LYS 32 HA LYS 32 49.117 15.604 -8.631 257 HB2 LYS 32 HB2 LYS 32 47.165 17.421 -9.094 258 HB3 LYS 32 HB1 LYS 32 48.010 18.213 -7.765 259 HG2 LYS 32 HG2 LYS 32 49.689 18.821 -9.132 260 HG3 LYS 32 HG1 LYS 32 49.931 17.154 -9.651 261 HD2 LYS 32 HD2 LYS 32 49.351 18.264 -11.646 262 HD3 LYS 32 HD1 LYS 32 47.829 17.537 -11.126 263 HE2 LYS 32 HE2 LYS 32 47.086 19.688 -11.490 264 HE3 LYS 32 HE1 LYS 32 47.615 19.863 -9.817 265 HZ1 LYS 32 HZ1 LYS 32 49.555 20.284 -11.980 266 HZ2 LYS 32 HZ2 LYS 32 49.506 20.970 -10.426 267 HZ3 LYS 32 HZ3 LYS 32 48.437 21.513 -11.631 268 H ARG 33 HN ARG 33 50.653 17.268 -7.495 269 HA ARG 33 HA ARG 33 51.125 16.259 -4.868 270 HB2 ARG 33 HB2 ARG 33 52.641 17.534 -6.812 271 HB3 ARG 33 HB1 ARG 33 52.550 18.717 -5.507 272 HG2 ARG 33 HG2 ARG 33 53.483 17.208 -3.925 273 HG3 ARG 33 HG1 ARG 33 53.226 15.819 -4.982 274 HD2 ARG 33 HD2 ARG 33 55.530 16.278 -5.191 275 HD3 ARG 33 HD1 ARG 33 54.826 17.012 -6.626 276 HE ARG 33 HE ARG 33 55.933 18.409 -4.303 277 HH11 ARG 33 HH11 ARG 33 54.167 18.609 -7.322 278 HH12 ARG 33 HH12 ARG 33 54.461 20.302 -7.506 279 HH21 ARG 33 HH21 ARG 33 56.276 20.621 -4.589 280 HH22 ARG 33 HH22 ARG 33 55.636 21.429 -5.981 281 H1 MET 1 HT1 MET 1 3.439 -5.199 3.455 282 H2 MET 1 HT2 MET 1 3.957 -3.688 2.873 283 H3 MET 1 HT3 MET 1 4.622 -4.325 4.301 284 HA MET 1 HA MET 1 5.772 -6.009 3.155 285 HB2 MET 1 HB2 MET 1 5.477 -5.990 0.557 286 HB3 MET 1 HB1 MET 1 4.260 -6.799 1.543 287 HG2 MET 1 HG2 MET 1 2.814 -4.824 1.443 288 HG3 MET 1 HG1 MET 1 4.050 -3.939 0.548 289 HE1 MET 1 HE1 MET 1 4.044 -5.162 -2.919 290 HE2 MET 1 HE2 MET 1 5.215 -5.619 -1.685 291 HE3 MET 1 HE3 MET 1 4.535 -3.993 -1.686 292 H PHE 2 HN PHE 2 7.669 -4.997 3.491 293 HA PHE 2 HA PHE 2 9.465 -3.599 3.189 294 HB2 PHE 2 HB2 PHE 2 8.265 -3.355 0.418 295 HB3 PHE 2 HB1 PHE 2 9.879 -2.812 0.875 296 HD1 PHE 2 HD1 PHE 2 7.823 -5.650 -0.047 297 HD2 PHE 2 HD2 PHE 2 11.547 -4.493 1.753 298 HE1 PHE 2 HE1 PHE 2 8.701 -7.943 -0.391 299 HE2 PHE 2 HE2 PHE 2 12.426 -6.786 1.410 300 HZ PHE 2 HZ PHE 2 11.002 -8.512 0.337 301 H GLU 3 HN GLU 3 8.194 -2.246 4.761 302 HA GLU 3 HA GLU 3 6.720 -0.004 3.826 303 HB2 GLU 3 HB2 GLU 3 8.057 -0.564 6.480 304 HB3 GLU 3 HB1 GLU 3 7.049 0.850 6.167 305 HG2 GLU 3 HG2 GLU 3 5.971 -1.853 5.473 306 HG3 GLU 3 HG1 GLU 3 5.995 -1.368 7.167 307 HA PRO 4 HA PRO 4 9.709 3.006 2.633 308 HB2 PRO 4 HB2 PRO 4 8.568 4.824 4.710 309 HB3 PRO 4 HB1 PRO 4 8.801 5.102 2.974 310 HG2 PRO 4 HG2 PRO 4 6.393 4.618 3.987 311 HG3 PRO 4 HG1 PRO 4 6.875 3.990 2.401 312 HD2 PRO 4 HD2 PRO 4 6.584 2.537 4.996 313 HD3 PRO 4 HD1 PRO 4 6.315 1.960 3.335 314 H PHE 5 HN PHE 5 9.182 2.878 6.159 315 HA PHE 5 HA PHE 5 11.741 3.911 6.856 316 HB2 PHE 5 HB2 PHE 5 10.590 4.016 8.780 317 HB3 PHE 5 HB1 PHE 5 9.419 2.822 8.224 318 HD1 PHE 5 HD1 PHE 5 12.644 3.317 9.953 319 HD2 PHE 5 HD2 PHE 5 9.707 0.449 8.685 320 HE1 PHE 5 HE1 PHE 5 13.689 1.601 11.408 321 HE2 PHE 5 HE2 PHE 5 10.752 -1.265 10.139 322 HZ PHE 5 HZ PHE 5 12.742 -0.689 11.502 323 H GLN 6 HN GLN 6 10.526 0.695 6.172 324 HA GLN 6 HA GLN 6 12.644 -0.818 7.254 325 HB2 GLN 6 HB2 GLN 6 10.451 -1.739 6.483 326 HB3 GLN 6 HB1 GLN 6 10.976 -1.481 4.819 327 HG2 GLN 6 HG2 GLN 6 11.442 -3.785 5.420 328 HG3 GLN 6 HG1 GLN 6 12.973 -2.920 5.283 329 HE21 GLN 6 HE21 GLN 6 14.155 -4.194 6.828 330 HE22 GLN 6 HE22 GLN 6 13.756 -4.224 8.478 331 H ILE 7 HN ILE 7 12.136 0.490 4.002 332 HA ILE 7 HA ILE 7 14.588 -0.562 2.955 333 HB ILE 7 HB ILE 7 13.983 0.386 0.940 334 HG12 ILE 7 HG12 ILE 7 12.905 2.674 2.593 335 HG13 ILE 7 HG11 ILE 7 14.252 2.700 1.464 336 HG21 ILE 7 HG21 ILE 7 12.000 -0.868 2.077 337 HG22 ILE 7 HG22 ILE 7 11.661 0.098 0.642 338 HG23 ILE 7 HG23 ILE 7 11.280 0.734 2.242 339 HD11 ILE 7 HD11 ILE 7 11.301 2.526 0.853 340 HD12 ILE 7 HD12 ILE 7 12.517 2.057 -0.336 341 HD13 ILE 7 HD13 ILE 7 12.471 3.710 0.277 342 H LEU 8 HN LEU 8 13.686 2.353 4.630 343 HA LEU 8 HA LEU 8 15.991 3.882 3.932 344 HB2 LEU 8 HB2 LEU 8 13.853 4.868 4.753 345 HB3 LEU 8 HB1 LEU 8 14.172 4.166 6.339 346 HG LEU 8 HG LEU 8 16.514 5.567 5.415 347 HD11 LEU 8 HD11 LEU 8 14.039 7.297 5.656 348 HD12 LEU 8 HD12 LEU 8 14.737 6.829 4.106 349 HD13 LEU 8 HD13 LEU 8 15.673 7.812 5.234 350 HD21 LEU 8 HD21 LEU 8 16.031 6.855 7.550 351 HD22 LEU 8 HD22 LEU 8 16.125 5.105 7.744 352 HD23 LEU 8 HD23 LEU 8 14.554 5.904 7.699 353 H SER 9 HN SER 9 15.176 1.624 6.508 354 HA SER 9 HA SER 9 17.554 2.158 8.041 355 HB2 SER 9 HB2 SER 9 16.826 0.308 9.429 356 HB3 SER 9 HB1 SER 9 15.440 1.330 9.062 357 HG SER 9 HG SER 9 15.063 -0.946 8.770 358 H ILE 10 HN ILE 10 16.535 -0.157 5.593 359 HA ILE 10 HA ILE 10 18.711 -1.955 5.868 360 HB ILE 10 HB ILE 10 16.879 -1.323 3.551 361 HG12 ILE 10 HG12 ILE 10 17.079 -3.809 5.266 362 HG13 ILE 10 HG11 ILE 10 16.030 -2.460 5.683 363 HG21 ILE 10 HG21 ILE 10 19.105 -3.356 3.805 364 HG22 ILE 10 HG22 ILE 10 18.882 -2.150 2.539 365 HG23 ILE 10 HG23 ILE 10 17.788 -3.529 2.645 366 HD11 ILE 10 HD11 ILE 10 14.799 -4.187 4.407 367 HD12 ILE 10 HD12 ILE 10 15.943 -4.009 3.076 368 HD13 ILE 10 HD13 ILE 10 14.881 -2.669 3.511 369 H CYS 11 HN CYS 11 18.203 0.913 3.796 370 HA CYS 11 HA CYS 11 20.670 0.681 2.412 371 HB2 CYS 11 HB2 CYS 11 18.776 2.027 1.587 372 HB3 CYS 11 HB1 CYS 11 18.973 3.130 2.949 373 HG CYS 11 HG CYS 11 20.606 4.306 1.508 374 H SER 12 HN SER 12 19.674 2.830 5.116 375 HA SER 12 HA SER 12 22.167 4.010 5.522 376 HB2 SER 12 HB2 SER 12 20.062 4.802 6.552 377 HB3 SER 12 HB1 SER 12 20.055 3.383 7.594 378 HG SER 12 HG SER 12 22.072 5.382 7.455 379 H PHE 13 HN PHE 13 20.794 1.029 6.864 380 HA PHE 13 HA PHE 13 22.787 0.420 8.718 381 HB2 PHE 13 HB2 PHE 13 20.703 -0.827 8.632 382 HB3 PHE 13 HB1 PHE 13 21.093 -1.428 7.020 383 HD1 PHE 13 HD1 PHE 13 22.565 -1.277 10.469 384 HD2 PHE 13 HD2 PHE 13 22.136 -3.506 6.822 385 HE1 PHE 13 HE1 PHE 13 23.820 -3.165 11.475 386 HE2 PHE 13 HE2 PHE 13 23.389 -5.395 7.828 387 HZ PHE 13 HZ PHE 13 24.233 -5.223 10.153 388 H ILE 14 HN ILE 14 22.544 -0.483 5.277 389 HA ILE 14 HA ILE 14 24.907 -1.993 5.133 390 HB ILE 14 HB ILE 14 23.467 -0.334 3.058 391 HG12 ILE 14 HG12 ILE 14 23.676 -3.340 3.358 392 HG13 ILE 14 HG11 ILE 14 22.388 -2.398 4.109 393 HG21 ILE 14 HG21 ILE 14 25.697 -0.476 2.238 394 HG22 ILE 14 HG22 ILE 14 24.836 -1.795 1.449 395 HG23 ILE 14 HG23 ILE 14 25.892 -2.128 2.822 396 HD11 ILE 14 HD11 ILE 14 21.493 -3.124 2.025 397 HD12 ILE 14 HD12 ILE 14 22.979 -2.722 1.162 398 HD13 ILE 14 HD13 ILE 14 21.937 -1.436 1.774 399 H LEU 15 HN LEU 15 24.348 1.491 4.654 400 HA LEU 15 HA LEU 15 26.983 2.152 3.907 401 HB2 LEU 15 HB2 LEU 15 24.636 3.641 4.969 402 HB3 LEU 15 HB1 LEU 15 26.214 4.428 5.058 403 HG LEU 15 HG LEU 15 25.243 3.135 2.510 404 HD11 LEU 15 HD11 LEU 15 24.870 6.023 3.362 405 HD12 LEU 15 HD12 LEU 15 23.577 4.830 3.254 406 HD13 LEU 15 HD13 LEU 15 24.433 5.336 1.798 407 HD21 LEU 15 HD21 LEU 15 27.612 3.642 2.582 408 HD22 LEU 15 HD22 LEU 15 27.294 5.255 3.220 409 HD23 LEU 15 HD23 LEU 15 26.837 4.856 1.564 410 H SER 16 HN SER 16 25.416 2.572 7.088 411 HA SER 16 HA SER 16 27.549 3.407 8.581 412 HB2 SER 16 HB2 SER 16 26.441 2.399 10.525 413 HB3 SER 16 HB1 SER 16 25.251 3.135 9.456 414 HG SER 16 HG SER 16 25.071 0.783 10.308 415 H ALA 17 HN ALA 17 26.744 0.063 7.713 416 HA ALA 17 HA ALA 17 28.764 -1.219 9.190 417 HB1 ALA 17 HB1 ALA 17 27.528 -2.049 6.548 418 HB2 ALA 17 HB2 ALA 17 26.879 -2.419 8.147 419 HB3 ALA 17 HB3 ALA 17 28.424 -3.104 7.642 420 H LEU 18 HN LEU 18 28.732 -0.083 5.812 421 HA LEU 18 HA LEU 18 31.437 -0.833 5.291 422 HB2 LEU 18 HB2 LEU 18 29.317 0.704 3.892 423 HB3 LEU 18 HB1 LEU 18 30.980 1.055 3.425 424 HG LEU 18 HG LEU 18 29.839 -0.802 2.111 425 HD11 LEU 18 HD11 LEU 18 32.356 -0.453 2.411 426 HD12 LEU 18 HD12 LEU 18 31.847 -2.075 1.944 427 HD13 LEU 18 HD13 LEU 18 32.289 -1.738 3.617 428 HD21 LEU 18 HD21 LEU 18 30.356 -2.466 4.585 429 HD22 LEU 18 HD22 LEU 18 29.467 -2.920 3.133 430 HD23 LEU 18 HD23 LEU 18 28.776 -1.752 4.261 431 H HIS 19 HN HIS 19 30.002 1.810 6.933 432 HA HIS 19 HA HIS 19 32.006 3.777 6.490 433 HB2 HIS 19 HB2 HIS 19 29.623 4.097 7.399 434 HB3 HIS 19 HB1 HIS 19 30.272 3.562 8.950 435 HD2 HIS 19 HD2 HIS 19 32.688 5.231 9.694 436 HE1 HIS 19 HE1 HIS 19 31.095 8.601 7.712 437 HE2 HIS 19 HE2 HIS 19 32.847 7.819 9.377 438 H PHE 20 HN PHE 20 31.312 1.770 9.386 439 HA PHE 20 HA PHE 20 33.787 2.417 10.624 440 HB2 PHE 20 HB2 PHE 20 31.500 0.635 11.173 441 HB3 PHE 20 HB1 PHE 20 33.044 0.084 11.827 442 HD1 PHE 20 HD1 PHE 20 30.373 2.552 12.083 443 HD2 PHE 20 HD2 PHE 20 34.371 1.597 13.330 444 HE1 PHE 20 HE1 PHE 20 30.205 4.225 13.905 445 HE2 PHE 20 HE2 PHE 20 34.202 3.270 15.154 446 HZ PHE 20 HZ PHE 20 32.116 4.589 15.437 447 H MET 21 HN MET 21 32.796 0.026 8.294 448 HA MET 21 HA MET 21 34.856 -1.859 8.649 449 HB2 MET 21 HB2 MET 21 32.908 -2.313 7.252 450 HB3 MET 21 HB1 MET 21 33.372 -1.027 6.138 451 HG2 MET 21 HG2 MET 21 35.344 -2.207 5.461 452 HG3 MET 21 HG1 MET 21 35.170 -3.378 6.767 453 HE1 MET 21 HE1 MET 21 34.621 -5.665 3.853 454 HE2 MET 21 HE2 MET 21 35.771 -4.868 4.925 455 HE3 MET 21 HE3 MET 21 35.365 -4.133 3.374 456 H ALA 22 HN ALA 22 34.638 0.928 6.442 457 HA ALA 22 HA ALA 22 37.234 0.686 5.374 458 HB1 ALA 22 HB1 ALA 22 35.330 3.016 5.624 459 HB2 ALA 22 HB2 ALA 22 35.739 2.086 4.184 460 HB3 ALA 22 HB3 ALA 22 36.923 3.188 4.885 461 H TRP 23 HN TRP 23 35.957 2.334 8.220 462 HA TRP 23 HA TRP 23 38.287 3.756 8.928 463 HB2 TRP 23 HB2 TRP 23 35.875 2.775 10.396 464 HB3 TRP 23 HB1 TRP 23 37.244 3.365 11.331 465 HD1 TRP 23 HD1 TRP 23 36.853 5.039 8.014 466 HE1 TRP 23 HE1 TRP 23 35.955 7.423 8.355 467 HE3 TRP 23 HE3 TRP 23 35.482 4.789 12.928 468 HZ2 TRP 23 HZ2 TRP 23 34.766 9.007 10.401 469 HZ3 TRP 23 HZ3 TRP 23 34.459 6.751 14.047 470 HH2 TRP 23 HH2 TRP 23 34.100 8.861 12.788 471 H THR 24 HN THR 24 37.207 0.498 9.844 472 HA THR 24 HA THR 24 39.282 -0.119 11.596 473 HB THR 24 HB THR 24 37.825 -1.943 9.668 474 HG1 THR 24 HG1 THR 24 36.271 -1.376 10.964 475 HG21 THR 24 HG21 THR 24 39.579 -2.479 12.067 476 HG22 THR 24 HG22 THR 24 39.749 -3.120 10.434 477 HG23 THR 24 HG23 THR 24 38.420 -3.661 11.459 478 H ILE 25 HN ILE 25 39.102 -0.511 8.064 479 HA ILE 25 HA ILE 25 41.685 -1.686 7.804 480 HB ILE 25 HB ILE 25 40.082 -0.126 5.760 481 HG12 ILE 25 HG12 ILE 25 38.748 -1.963 6.603 482 HG13 ILE 25 HG11 ILE 25 39.367 -2.424 5.020 483 HG21 ILE 25 HG21 ILE 25 41.392 -1.408 4.119 484 HG22 ILE 25 HG22 ILE 25 42.298 -2.167 5.428 485 HG23 ILE 25 HG23 ILE 25 42.447 -0.432 5.141 486 HD11 ILE 25 HD11 ILE 25 39.735 -4.336 6.376 487 HD12 ILE 25 HD12 ILE 25 40.289 -3.363 7.739 488 HD13 ILE 25 HD13 ILE 25 41.307 -3.544 6.311 489 H GLY 26 HN GLY 26 40.511 1.620 7.672 490 HA2 GLY 26 HA2 GLY 26 42.882 2.864 6.798 491 HA3 GLY 26 HA1 GLY 26 41.627 3.644 7.756 492 H HIS 27 HN HIS 27 41.681 2.224 10.085 493 HA HIS 27 HA HIS 27 43.854 3.347 11.484 494 HB2 HIS 27 HB2 HIS 27 41.718 2.801 12.565 495 HB3 HIS 27 HB1 HIS 27 42.026 1.081 12.317 496 HD2 HIS 27 HD2 HIS 27 44.948 3.413 13.546 497 HE1 HIS 27 HE1 HIS 27 43.862 0.866 16.733 498 HE2 HIS 27 HE2 HIS 27 45.546 2.601 15.954 499 H LEU 28 HN LEU 28 43.298 0.107 10.192 500 HA LEU 28 HA LEU 28 45.751 -0.957 11.293 501 HB2 LEU 28 HB2 LEU 28 43.691 -2.010 9.356 502 HB3 LEU 28 HB1 LEU 28 45.168 -2.896 9.737 503 HG LEU 28 HG LEU 28 43.337 -1.873 11.909 504 HD11 LEU 28 HD11 LEU 28 43.276 -4.608 10.597 505 HD12 LEU 28 HD12 LEU 28 42.059 -3.356 10.355 506 HD13 LEU 28 HD13 LEU 28 42.279 -4.076 11.950 507 HD21 LEU 28 HD21 LEU 28 45.513 -3.970 11.692 508 HD22 LEU 28 HD22 LEU 28 44.439 -3.848 13.085 509 HD23 LEU 28 HD23 LEU 28 45.520 -2.513 12.686 510 H ASN 29 HN ASN 29 44.991 1.019 8.649 511 HA ASN 29 HA ASN 29 46.193 1.754 6.842 512 HB2 ASN 29 HB2 ASN 29 47.947 1.830 8.753 513 HB3 ASN 29 HB1 ASN 29 48.616 0.391 7.987 514 HD21 ASN 29 HD21 ASN 29 50.473 1.231 6.956 515 HD22 ASN 29 HD22 ASN 29 50.432 2.505 5.834 516 H GLN 30 HN GLN 30 44.839 -0.744 6.635 517 HA GLN 30 HA GLN 30 44.655 -2.530 5.207 518 HB2 GLN 30 HB2 GLN 30 46.970 -1.226 3.758 519 HB3 GLN 30 HB1 GLN 30 45.849 -2.414 3.094 520 HG2 GLN 30 HG2 GLN 30 43.974 -0.843 3.481 521 HG3 GLN 30 HG1 GLN 30 45.116 0.351 4.095 522 HE21 GLN 30 HE21 GLN 30 47.113 0.600 2.394 523 HE22 GLN 30 HE22 GLN 30 46.614 0.816 0.786 524 H ILE 31 HN ILE 31 46.749 -2.413 7.479 525 HA ILE 31 HA ILE 31 48.265 -3.845 8.415 526 HB ILE 31 HB ILE 31 47.356 -5.760 6.250 527 HG12 ILE 31 HG12 ILE 31 46.271 -5.431 9.069 528 HG13 ILE 31 HG11 ILE 31 45.494 -4.744 7.643 529 HG21 ILE 31 HG21 ILE 31 48.794 -6.068 8.896 530 HG22 ILE 31 HG22 ILE 31 49.302 -6.639 7.308 531 HG23 ILE 31 HG23 ILE 31 47.954 -7.417 8.133 532 HD11 ILE 31 HD11 ILE 31 44.417 -6.843 8.038 533 HD12 ILE 31 HD12 ILE 31 45.963 -7.666 8.259 534 HD13 ILE 31 HD13 ILE 31 45.491 -7.088 6.660 535 H LYS 32 HN LYS 32 50.364 -4.840 8.087 536 HA LYS 32 HA LYS 32 52.453 -4.949 7.156 537 HB2 LYS 32 HB2 LYS 32 50.816 -5.835 5.189 538 HB3 LYS 32 HB1 LYS 32 51.511 -4.423 4.397 539 HG2 LYS 32 HG2 LYS 32 53.452 -5.509 4.056 540 HG3 LYS 32 HG1 LYS 32 53.590 -5.894 5.771 541 HD2 LYS 32 HD2 LYS 32 53.476 -8.011 4.747 542 HD3 LYS 32 HD1 LYS 32 51.817 -7.727 5.279 543 HE2 LYS 32 HE2 LYS 32 51.389 -8.321 3.093 544 HE3 LYS 32 HE1 LYS 32 51.650 -6.592 2.858 545 HZ1 LYS 32 HZ1 LYS 32 53.955 -8.408 2.783 546 HZ2 LYS 32 HZ2 LYS 32 53.724 -6.921 1.993 547 HZ3 LYS 32 HZ3 LYS 32 52.938 -8.318 1.428 548 H ARG 33 HN ARG 33 53.953 -3.652 5.582 549 HA ARG 33 HA ARG 33 53.866 -0.935 6.448 550 HB2 ARG 33 HB2 ARG 33 55.817 -2.650 5.468 551 HB3 ARG 33 HB1 ARG 33 55.641 -1.442 4.194 552 HG2 ARG 33 HG2 ARG 33 56.124 0.353 5.679 553 HG3 ARG 33 HG1 ARG 33 55.896 -0.661 7.104 554 HD2 ARG 33 HD2 ARG 33 58.238 -0.489 6.893 555 HD3 ARG 33 HD1 ARG 33 57.869 -2.060 6.193 556 HE ARG 33 HE ARG 33 58.719 0.344 4.754 557 HH11 ARG 33 HH11 ARG 33 57.518 -2.942 4.590 558 HH12 ARG 33 HH12 ARG 33 58.023 -3.161 2.954 559 HH21 ARG 33 HH21 ARG 33 59.347 0.009 2.614 560 HH22 ARG 33 HH22 ARG 33 59.043 -1.514 1.844 561 H1 MET 1 HT1 MET 1 3.134 -0.151 22.248 562 H2 MET 1 HT2 MET 1 3.844 -0.532 20.753 563 H3 MET 1 HT3 MET 1 4.244 0.918 21.542 564 HA MET 1 HA MET 1 5.415 -0.189 23.239 565 HB2 MET 1 HB2 MET 1 5.504 -2.793 23.011 566 HB3 MET 1 HB1 MET 1 4.098 -2.056 23.777 567 HG2 MET 1 HG2 MET 1 2.839 -2.195 21.683 568 HG3 MET 1 HG1 MET 1 4.256 -2.830 20.847 569 HE1 MET 1 HE1 MET 1 4.671 -6.353 21.817 570 HE2 MET 1 HE2 MET 1 5.607 -5.007 22.463 571 HE3 MET 1 HE3 MET 1 5.065 -4.970 20.787 572 H PHE 2 HN PHE 2 7.312 0.496 22.420 573 HA PHE 2 HA PHE 2 9.236 0.561 21.170 574 HB2 PHE 2 HB2 PHE 2 8.479 -2.321 20.628 575 HB3 PHE 2 HB1 PHE 2 10.046 -1.599 20.265 576 HD1 PHE 2 HD1 PHE 2 7.929 -3.025 22.840 577 HD2 PHE 2 HD2 PHE 2 11.432 -0.641 22.144 578 HE1 PHE 2 HE1 PHE 2 8.666 -3.426 25.173 579 HE2 PHE 2 HE2 PHE 2 12.170 -1.041 24.477 580 HZ PHE 2 HZ PHE 2 10.787 -2.436 25.991 581 H GLU 3 HN GLU 3 7.863 2.045 19.820 582 HA GLU 3 HA GLU 3 6.720 1.095 17.397 583 HB2 GLU 3 HB2 GLU 3 7.605 3.858 18.255 584 HB3 GLU 3 HB1 GLU 3 6.766 3.522 16.739 585 HG2 GLU 3 HG2 GLU 3 5.593 2.464 19.278 586 HG3 GLU 3 HG1 GLU 3 5.406 4.180 18.919 587 HA PRO 4 HA PRO 4 10.079 0.577 14.587 588 HB2 PRO 4 HB2 PRO 4 8.792 2.614 12.823 589 HB3 PRO 4 HB1 PRO 4 9.295 0.956 12.447 590 HG2 PRO 4 HG2 PRO 4 6.736 1.580 12.786 591 HG3 PRO 4 HG1 PRO 4 7.392 0.032 13.344 592 HD2 PRO 4 HD2 PRO 4 6.614 2.435 14.941 593 HD3 PRO 4 HD1 PRO 4 6.547 0.712 15.376 594 H PHE 5 HN PHE 5 9.035 3.972 14.911 595 HA PHE 5 HA PHE 5 11.537 5.102 14.163 596 HB2 PHE 5 HB2 PHE 5 10.131 6.850 14.088 597 HB3 PHE 5 HB1 PHE 5 8.962 6.040 15.133 598 HD1 PHE 5 HD1 PHE 5 11.933 8.234 15.045 599 HD2 PHE 5 HD2 PHE 5 8.994 6.344 17.548 600 HE1 PHE 5 HE1 PHE 5 12.621 9.674 16.944 601 HE2 PHE 5 HE2 PHE 5 9.685 7.784 19.445 602 HZ PHE 5 HZ PHE 5 11.499 9.448 19.145 603 H GLN 6 HN GLN 6 10.186 3.995 17.201 604 HA GLN 6 HA GLN 6 12.000 5.237 18.970 605 HB2 GLN 6 HB2 GLN 6 9.876 4.094 19.635 606 HB3 GLN 6 HB1 GLN 6 10.658 2.547 19.312 607 HG2 GLN 6 HG2 GLN 6 10.848 3.022 21.685 608 HG3 GLN 6 HG1 GLN 6 12.446 3.169 20.953 609 HE21 GLN 6 HE21 GLN 6 13.286 4.759 22.426 610 HE22 GLN 6 HE22 GLN 6 12.649 6.328 22.533 611 H ILE 7 HN ILE 7 12.074 2.061 17.402 612 HA ILE 7 HA ILE 7 14.562 1.283 18.595 613 HB ILE 7 HB ILE 7 14.332 -0.712 17.460 614 HG12 ILE 7 HG12 ILE 7 13.206 0.953 15.202 615 HG13 ILE 7 HG11 ILE 7 14.703 0.032 15.221 616 HG21 ILE 7 HG21 ILE 7 12.114 0.035 18.612 617 HG22 ILE 7 HG22 ILE 7 12.062 -1.353 17.526 618 HG23 ILE 7 HG23 ILE 7 11.505 0.225 16.969 619 HD11 ILE 7 HD11 ILE 7 11.871 -1.005 15.094 620 HD12 ILE 7 HD12 ILE 7 13.212 -2.043 15.578 621 HD13 ILE 7 HD13 ILE 7 13.198 -1.307 13.975 622 H LEU 8 HN LEU 8 13.658 3.042 15.730 623 HA LEU 8 HA LEU 8 16.154 2.804 14.370 624 HB2 LEU 8 HB2 LEU 8 14.003 3.394 13.256 625 HB3 LEU 8 HB1 LEU 8 14.030 4.947 14.090 626 HG LEU 8 HG LEU 8 16.585 4.473 12.843 627 HD11 LEU 8 HD11 LEU 8 14.246 4.507 10.921 628 HD12 LEU 8 HD12 LEU 8 15.124 3.038 11.341 629 HD13 LEU 8 HD13 LEU 8 15.958 4.360 10.526 630 HD21 LEU 8 HD21 LEU 8 15.902 6.617 11.667 631 HD22 LEU 8 HD22 LEU 8 15.828 6.682 13.428 632 HD23 LEU 8 HD23 LEU 8 14.347 6.484 12.490 633 H SER 9 HN SER 9 14.799 5.049 16.721 634 HA SER 9 HA SER 9 16.963 6.938 16.500 635 HB2 SER 9 HB2 SER 9 15.898 8.061 18.367 636 HB3 SER 9 HB1 SER 9 14.664 7.587 17.204 637 HG SER 9 HG SER 9 14.152 7.064 19.410 638 H ILE 10 HN ILE 10 16.132 4.194 18.542 639 HA ILE 10 HA ILE 10 18.097 4.624 20.543 640 HB ILE 10 HB ILE 10 16.675 2.134 19.591 641 HG12 ILE 10 HG12 ILE 10 16.430 3.653 22.198 642 HG13 ILE 10 HG11 ILE 10 15.438 4.027 20.794 643 HG21 ILE 10 HG21 ILE 10 18.677 2.527 21.826 644 HG22 ILE 10 HG22 ILE 10 18.732 1.343 20.521 645 HG23 ILE 10 HG23 ILE 10 17.531 1.188 21.802 646 HD11 ILE 10 HD11 ILE 10 14.278 2.457 22.314 647 HD12 ILE 10 HD12 ILE 10 15.613 1.316 22.144 648 HD13 ILE 10 HD13 ILE 10 14.603 1.706 20.750 649 H CYS 11 HN CYS 11 18.123 2.739 17.509 650 HA CYS 11 HA CYS 11 20.740 1.701 17.861 651 HB2 CYS 11 HB2 CYS 11 19.103 0.729 16.299 652 HB3 CYS 11 HB1 CYS 11 19.178 2.190 15.316 653 HG CYS 11 HG CYS 11 21.086 1.085 14.189 654 H SER 12 HN SER 12 19.531 4.404 15.826 655 HA SER 12 HA SER 12 22.025 5.245 14.899 656 HB2 SER 12 HB2 SER 12 19.860 6.032 13.995 657 HB3 SER 12 HB1 SER 12 19.591 6.946 15.474 658 HG SER 12 HG SER 12 21.750 7.250 13.650 659 H PHE 13 HN PHE 13 20.242 6.138 17.828 660 HA PHE 13 HA PHE 13 21.887 8.200 18.737 661 HB2 PHE 13 HB2 PHE 13 19.747 7.727 19.785 662 HB3 PHE 13 HB1 PHE 13 20.317 6.141 20.306 663 HD1 PHE 13 HD1 PHE 13 21.279 9.762 20.526 664 HD2 PHE 13 HD2 PHE 13 21.214 5.923 22.450 665 HE1 PHE 13 HE1 PHE 13 22.221 10.779 22.583 666 HE2 PHE 13 HE2 PHE 13 22.157 6.938 24.508 667 HZ PHE 13 HZ PHE 13 22.660 9.366 24.573 668 H ILE 14 HN ILE 14 22.078 4.695 19.379 669 HA ILE 14 HA ILE 14 24.311 4.764 21.079 670 HB ILE 14 HB ILE 14 23.322 2.648 19.160 671 HG12 ILE 14 HG12 ILE 14 23.250 2.732 22.185 672 HG13 ILE 14 HG11 ILE 14 21.942 3.368 21.186 673 HG21 ILE 14 HG21 ILE 14 25.630 2.140 19.444 674 HG22 ILE 14 HG22 ILE 14 24.792 1.131 20.621 675 HG23 ILE 14 HG23 ILE 14 25.604 2.606 21.145 676 HD11 ILE 14 HD11 ILE 14 21.311 1.126 21.688 677 HD12 ILE 14 HD12 ILE 14 22.933 0.517 21.360 678 HD13 ILE 14 HD13 ILE 14 21.917 1.076 20.032 679 H LEU 15 HN LEU 15 24.101 4.497 17.536 680 HA LEU 15 HA LEU 15 26.862 4.177 17.063 681 HB2 LEU 15 HB2 LEU 15 24.513 5.016 15.445 682 HB3 LEU 15 HB1 LEU 15 26.116 5.386 14.810 683 HG LEU 15 HG LEU 15 25.429 2.633 15.838 684 HD11 LEU 15 HD11 LEU 15 25.164 3.647 12.990 685 HD12 LEU 15 HD12 LEU 15 23.809 3.272 14.054 686 HD13 LEU 15 HD13 LEU 15 24.902 1.990 13.534 687 HD21 LEU 15 HD21 LEU 15 27.793 3.074 15.549 688 HD22 LEU 15 HD22 LEU 15 27.513 3.788 13.960 689 HD23 LEU 15 HD23 LEU 15 27.271 2.058 14.205 690 H SER 16 HN SER 16 24.884 7.131 16.726 691 HA SER 16 HA SER 16 26.838 8.969 16.185 692 HB2 SER 16 HB2 SER 16 25.382 10.653 17.221 693 HB3 SER 16 HB1 SER 16 24.423 9.491 16.309 694 HG SER 16 HG SER 16 23.944 10.119 18.693 695 H ALA 17 HN ALA 17 25.910 7.729 19.377 696 HA ALA 17 HA ALA 17 27.586 9.370 20.932 697 HB1 ALA 17 HB1 ALA 17 26.688 6.523 21.466 698 HB2 ALA 17 HB2 ALA 17 25.784 7.979 21.884 699 HB3 ALA 17 HB3 ALA 17 27.328 7.645 22.668 700 H LEU 18 HN LEU 18 28.134 6.120 19.569 701 HA LEU 18 HA LEU 18 30.818 5.923 20.518 702 HB2 LEU 18 HB2 LEU 18 29.051 4.371 18.708 703 HB3 LEU 18 HB1 LEU 18 30.786 4.170 18.475 704 HG LEU 18 HG LEU 18 29.707 2.564 20.132 705 HD11 LEU 18 HD11 LEU 18 32.174 3.237 20.025 706 HD12 LEU 18 HD12 LEU 18 31.613 2.579 21.561 707 HD13 LEU 18 HD13 LEU 18 31.834 4.319 21.376 708 HD21 LEU 18 HD21 LEU 18 29.731 4.948 21.998 709 HD22 LEU 18 HD22 LEU 18 29.030 3.354 22.272 710 HD23 LEU 18 HD23 LEU 18 28.274 4.463 21.127 711 H HIS 19 HN HIS 19 29.371 7.553 17.873 712 HA HIS 19 HA HIS 19 31.566 7.556 16.070 713 HB2 HIS 19 HB2 HIS 19 29.109 8.145 15.600 714 HB3 HIS 19 HB1 HIS 19 29.480 9.724 16.295 715 HD2 HIS 19 HD2 HIS 19 31.891 10.928 14.905 716 HE1 HIS 19 HE1 HIS 19 30.865 9.029 11.278 717 HE2 HIS 19 HE2 HIS 19 32.295 10.845 12.328 718 H PHE 20 HN PHE 20 30.303 10.153 18.202 719 HA PHE 20 HA PHE 20 32.614 11.775 17.862 720 HB2 PHE 20 HB2 PHE 20 30.136 11.857 19.465 721 HB3 PHE 20 HB1 PHE 20 31.520 12.672 20.197 722 HD1 PHE 20 HD1 PHE 20 29.046 12.759 17.518 723 HD2 PHE 20 HD2 PHE 20 32.734 14.461 18.919 724 HE1 PHE 20 HE1 PHE 20 28.758 14.669 15.957 725 HE2 PHE 20 HE2 PHE 20 32.447 16.369 17.361 726 HZ PHE 20 HZ PHE 20 30.469 16.475 15.870 727 H MET 21 HN MET 21 31.789 9.145 19.997 728 HA MET 21 HA MET 21 33.626 9.642 22.073 729 HB2 MET 21 HB2 MET 21 31.875 7.957 22.275 730 HB3 MET 21 HB1 MET 21 32.585 7.022 20.959 731 HG2 MET 21 HG2 MET 21 34.541 6.530 22.246 732 HG3 MET 21 HG1 MET 21 34.096 7.698 23.489 733 HE1 MET 21 HE1 MET 21 33.798 4.567 25.512 734 HE2 MET 21 HE2 MET 21 34.840 5.841 24.884 735 HE3 MET 21 HE3 MET 21 34.712 4.311 24.019 736 H ALA 22 HN ALA 22 33.946 7.648 19.137 737 HA ALA 22 HA ALA 22 36.646 6.941 19.533 738 HB1 ALA 22 HB1 ALA 22 34.915 7.107 17.068 739 HB2 ALA 22 HB2 ALA 22 35.461 5.669 17.929 740 HB3 ALA 22 HB3 ALA 22 36.608 6.618 16.987 741 H TRP 23 HN TRP 23 35.097 9.699 17.975 742 HA TRP 23 HA TRP 23 37.403 10.836 16.815 743 HB2 TRP 23 HB2 TRP 23 34.735 11.873 17.677 744 HB3 TRP 23 HB1 TRP 23 35.995 13.032 17.271 745 HD1 TRP 23 HD1 TRP 23 36.215 9.831 15.352 746 HE1 TRP 23 HE1 TRP 23 35.445 10.220 12.926 747 HE3 TRP 23 HE3 TRP 23 34.142 14.479 15.809 748 HZ2 TRP 23 HZ2 TRP 23 34.112 12.213 11.387 749 HZ3 TRP 23 HZ3 TRP 23 33.124 15.595 13.844 750 HH2 TRP 23 HH2 TRP 23 33.106 14.468 11.636 751 H THR 24 HN THR 24 35.953 11.327 20.021 752 HA THR 24 HA THR 24 37.694 13.300 20.937 753 HB THR 24 HB THR 24 36.396 11.045 22.487 754 HG1 THR 24 HG1 THR 24 34.720 12.153 21.866 755 HG21 THR 24 HG21 THR 24 37.734 13.616 23.341 756 HG22 THR 24 HG22 THR 24 38.090 11.975 23.879 757 HG23 THR 24 HG23 THR 24 36.588 12.756 24.370 758 H ILE 25 HN ILE 25 38.001 9.755 21.067 759 HA ILE 25 HA ILE 25 40.495 9.766 22.446 760 HB ILE 25 HB ILE 25 39.331 7.650 20.614 761 HG12 ILE 25 HG12 ILE 25 37.749 8.151 22.379 762 HG13 ILE 25 HG11 ILE 25 38.552 6.637 22.785 763 HG21 ILE 25 HG21 ILE 25 40.760 6.109 21.898 764 HG22 ILE 25 HG22 ILE 25 41.407 7.470 22.816 765 HG23 ILE 25 HG23 ILE 25 41.729 7.339 21.087 766 HD11 ILE 25 HD11 ILE 25 38.567 7.876 24.810 767 HD12 ILE 25 HD12 ILE 25 39.000 9.373 23.984 768 HD13 ILE 25 HD13 ILE 25 40.192 8.086 24.159 769 H GLY 26 HN GLY 26 39.612 9.736 19.049 770 HA2 GLY 26 HA2 GLY 26 42.175 9.306 17.964 771 HA3 GLY 26 HA1 GLY 26 40.859 10.139 17.142 772 H HIS 27 HN HIS 27 40.464 12.329 18.720 773 HA HIS 27 HA HIS 27 42.488 14.105 17.891 774 HB2 HIS 27 HB2 HIS 27 40.181 14.827 18.323 775 HB3 HIS 27 HB1 HIS 27 40.390 14.488 20.041 776 HD2 HIS 27 HD2 HIS 27 43.271 16.297 18.063 777 HE1 HIS 27 HE1 HIS 27 41.539 19.086 20.717 778 HE2 HIS 27 HE2 HIS 27 43.446 18.692 19.088 779 H LEU 28 HN LEU 28 41.880 12.487 20.974 780 HA LEU 28 HA LEU 28 44.052 13.837 22.324 781 HB2 LEU 28 HB2 LEU 28 42.224 11.552 23.056 782 HB3 LEU 28 HB1 LEU 28 43.553 12.066 24.093 783 HG LEU 28 HG LEU 28 41.509 14.032 23.060 784 HD11 LEU 28 HD11 LEU 28 41.428 12.511 25.686 785 HD12 LEU 28 HD12 LEU 28 40.360 12.203 24.316 786 HD13 LEU 28 HD13 LEU 28 40.288 13.750 25.159 787 HD21 LEU 28 HD21 LEU 28 43.525 13.959 25.322 788 HD22 LEU 28 HD22 LEU 28 42.268 15.191 25.203 789 HD23 LEU 28 HD23 LEU 28 43.495 15.058 23.942 790 H ASN 29 HN ASN 29 43.839 11.277 20.114 791 HA ASN 29 HA ASN 29 45.347 9.723 19.366 792 HB2 ASN 29 HB2 ASN 29 46.804 11.861 19.575 793 HB3 ASN 29 HB1 ASN 29 47.462 11.082 21.014 794 HD21 ASN 29 HD21 ASN 29 49.513 10.401 20.266 795 HD22 ASN 29 HD22 ASN 29 49.737 9.386 18.926 796 H GLN 30 HN GLN 30 43.846 9.127 21.711 797 HA GLN 30 HA GLN 30 43.734 7.548 23.374 798 HB2 GLN 30 HB2 GLN 30 46.330 6.548 22.182 799 HB3 GLN 30 HB1 GLN 30 45.232 5.641 23.220 800 HG2 GLN 30 HG2 GLN 30 43.446 5.879 21.522 801 HG3 GLN 30 HG1 GLN 30 44.571 6.745 20.476 802 HE21 GLN 30 HE21 GLN 30 46.813 5.372 20.287 803 HE22 GLN 30 HE22 GLN 30 46.575 3.733 19.918 804 H ILE 31 HN ILE 31 45.477 10.091 23.598 805 HA ILE 31 HA ILE 31 46.722 11.114 25.220 806 HB ILE 31 HB ILE 31 45.995 8.697 26.894 807 HG12 ILE 31 HG12 ILE 31 44.538 11.351 26.665 808 HG13 ILE 31 HG11 ILE 31 44.033 9.892 25.815 809 HG21 ILE 31 HG21 ILE 31 47.002 11.485 27.508 810 HG22 ILE 31 HG22 ILE 31 47.688 9.942 28.012 811 HG23 ILE 31 HG23 ILE 31 46.178 10.506 28.722 812 HD11 ILE 31 HD11 ILE 31 42.752 9.961 27.835 813 HD12 ILE 31 HD12 ILE 31 44.180 10.325 28.803 814 HD13 ILE 31 HD13 ILE 31 43.990 8.729 28.075 815 H LYS 32 HN LYS 32 48.762 11.003 26.373 816 HA LYS 32 HA LYS 32 50.949 10.368 26.604 817 HB2 LYS 32 HB2 LYS 32 49.555 8.127 27.206 818 HB3 LYS 32 HB1 LYS 32 50.464 7.554 25.809 819 HG2 LYS 32 HG2 LYS 32 52.345 7.405 27.035 820 HG3 LYS 32 HG1 LYS 32 52.199 9.084 27.549 821 HD2 LYS 32 HD2 LYS 32 52.074 7.882 29.571 822 HD3 LYS 32 HD1 LYS 32 50.384 8.202 29.181 823 HE2 LYS 32 HE2 LYS 32 50.231 5.938 29.578 824 HE3 LYS 32 HE1 LYS 32 50.656 5.883 27.866 825 HZ1 LYS 32 HZ1 LYS 32 52.801 5.981 29.868 826 HZ2 LYS 32 HZ2 LYS 32 52.800 5.285 28.317 827 HZ3 LYS 32 HZ3 LYS 32 51.999 4.511 29.601 828 H ARG 33 HN ARG 33 52.760 9.124 25.340 829 HA ARG 33 HA ARG 33 52.761 10.188 22.691 830 HB2 ARG 33 HB2 ARG 33 54.693 9.358 24.504 831 HB3 ARG 33 HB1 ARG 33 54.801 8.170 23.205 832 HG2 ARG 33 HG2 ARG 33 55.201 9.840 21.561 833 HG3 ARG 33 HG1 ARG 33 54.688 11.137 22.641 834 HD2 ARG 33 HD2 ARG 33 57.042 11.272 22.668 835 HD3 ARG 33 HD1 ARG 33 56.658 10.403 24.148 836 HE ARG 33 HE ARG 33 57.897 9.297 21.737 837 HH11 ARG 33 HH11 ARG 33 56.475 8.700 24.882 838 HH12 ARG 33 HH12 ARG 33 57.196 7.139 25.032 839 HH21 ARG 33 HH21 ARG 33 58.804 7.247 21.979 840 HH22 ARG 33 HH22 ARG 33 58.495 6.321 23.410 841 H1 MET 1 HT1 MET 1 0.900 18.986 18.163 842 H2 MET 1 HT2 MET 1 1.798 17.625 18.636 843 H3 MET 1 HT3 MET 1 2.190 18.446 17.203 844 HA MET 1 HA MET 1 2.995 20.316 18.353 845 HB2 MET 1 HB2 MET 1 2.901 20.145 20.960 846 HB3 MET 1 HB1 MET 1 1.459 20.673 20.094 847 HG2 MET 1 HG2 MET 1 0.529 18.411 20.190 848 HG3 MET 1 HG1 MET 1 2.000 17.814 20.959 849 HE1 MET 1 HE1 MET 1 1.972 18.897 24.476 850 HE2 MET 1 HE2 MET 1 2.905 19.650 23.185 851 HE3 MET 1 HE3 MET 1 2.626 17.910 23.160 852 H PHE 2 HN PHE 2 5.043 19.782 17.840 853 HA PHE 2 HA PHE 2 7.132 18.840 17.961 854 HB2 PHE 2 HB2 PHE 2 6.233 18.235 20.791 855 HB3 PHE 2 HB1 PHE 2 7.890 18.102 20.204 856 HD1 PHE 2 HD1 PHE 2 5.299 20.348 21.386 857 HD2 PHE 2 HD2 PHE 2 9.052 20.156 19.305 858 HE1 PHE 2 HE1 PHE 2 5.643 22.771 21.780 859 HE2 PHE 2 HE2 PHE 2 9.396 22.579 19.700 860 HZ PHE 2 HZ PHE 2 7.691 23.888 20.937 861 H GLU 3 HN GLU 3 6.105 17.276 16.412 862 HA GLU 3 HA GLU 3 5.266 14.722 17.335 863 HB2 GLU 3 HB2 GLU 3 6.234 15.661 14.629 864 HB3 GLU 3 HB1 GLU 3 5.609 14.041 14.939 865 HG2 GLU 3 HG2 GLU 3 3.985 16.388 15.830 866 HG3 GLU 3 HG1 GLU 3 3.995 15.978 14.117 867 HA PRO 4 HA PRO 4 8.955 12.467 18.196 868 HB2 PRO 4 HB2 PRO 4 8.120 10.495 16.114 869 HB3 PRO 4 HB1 PRO 4 8.536 10.227 17.817 870 HG2 PRO 4 HG2 PRO 4 6.015 10.161 16.983 871 HG3 PRO 4 HG1 PRO 4 6.451 10.835 18.563 872 HD2 PRO 4 HD2 PRO 4 5.640 12.258 16.065 873 HD3 PRO 4 HD1 PRO 4 5.369 12.704 17.764 874 H PHE 5 HN PHE 5 8.158 12.574 14.720 875 HA PHE 5 HA PHE 5 10.829 12.196 13.816 876 HB2 PHE 5 HB2 PHE 5 9.599 11.878 11.965 877 HB3 PHE 5 HB1 PHE 5 8.224 12.747 12.648 878 HD1 PHE 5 HD1 PHE 5 11.344 13.076 10.700 879 HD2 PHE 5 HD2 PHE 5 7.918 15.134 12.279 880 HE1 PHE 5 HE1 PHE 5 11.854 15.032 9.261 881 HE2 PHE 5 HE2 PHE 5 8.430 17.089 10.842 882 HZ PHE 5 HZ PHE 5 10.397 17.038 9.333 883 H GLN 6 HN GLN 6 8.949 15.010 14.726 884 HA GLN 6 HA GLN 6 10.573 17.014 13.583 885 HB2 GLN 6 HB2 GLN 6 8.285 17.367 14.531 886 HB3 GLN 6 HB1 GLN 6 8.975 17.191 16.146 887 HG2 GLN 6 HG2 GLN 6 8.847 19.556 15.623 888 HG3 GLN 6 HG1 GLN 6 10.543 19.074 15.622 889 HE21 GLN 6 HE21 GLN 6 11.275 20.639 14.065 890 HE22 GLN 6 HE22 GLN 6 10.760 20.623 12.448 891 H ILE 7 HN ILE 7 10.619 15.523 16.796 892 HA ILE 7 HA ILE 7 12.828 17.096 17.733 893 HB ILE 7 HB ILE 7 12.607 15.973 19.737 894 HG12 ILE 7 HG12 ILE 7 11.972 13.543 18.054 895 HG13 ILE 7 HG11 ILE 7 13.369 13.803 19.087 896 HG21 ILE 7 HG21 ILE 7 10.311 16.764 18.785 897 HG22 ILE 7 HG22 ILE 7 10.307 15.702 20.194 898 HG23 ILE 7 HG23 ILE 7 9.971 15.045 18.593 899 HD11 ILE 7 HD11 ILE 7 10.513 13.266 19.905 900 HD12 ILE 7 HD12 ILE 7 11.680 13.963 21.028 901 HD13 ILE 7 HD13 ILE 7 11.964 12.365 20.339 902 H LEU 8 HN LEU 8 12.512 14.099 15.989 903 HA LEU 8 HA LEU 8 15.154 13.137 16.464 904 HB2 LEU 8 HB2 LEU 8 13.251 11.701 15.737 905 HB3 LEU 8 HB1 LEU 8 13.281 12.506 14.166 906 HG LEU 8 HG LEU 8 15.947 11.670 14.876 907 HD11 LEU 8 HD11 LEU 8 13.936 9.411 14.711 908 HD12 LEU 8 HD12 LEU 8 14.613 9.986 16.234 909 HD13 LEU 8 HD13 LEU 8 15.670 9.287 15.007 910 HD21 LEU 8 HD21 LEU 8 15.629 10.371 12.717 911 HD22 LEU 8 HD22 LEU 8 15.291 12.098 12.598 912 HD23 LEU 8 HD23 LEU 8 13.961 10.944 12.706 913 H SER 9 HN SER 9 13.651 15.218 14.053 914 HA SER 9 HA SER 9 15.971 15.302 12.349 915 HB2 SER 9 HB2 SER 9 14.734 16.961 11.091 916 HB3 SER 9 HB1 SER 9 13.650 15.638 11.506 917 HG SER 9 HG SER 9 12.777 17.750 11.919 918 H ILE 10 HN ILE 10 14.621 17.235 14.962 919 HA ILE 10 HA ILE 10 16.292 19.505 14.633 920 HB ILE 10 HB ILE 10 14.830 18.389 17.028 921 HG12 ILE 10 HG12 ILE 10 14.319 20.904 15.422 922 HG13 ILE 10 HG11 ILE 10 13.588 19.357 15.009 923 HG21 ILE 10 HG21 ILE 10 16.499 20.895 16.727 924 HG22 ILE 10 HG22 ILE 10 16.649 19.636 17.951 925 HG23 ILE 10 HG23 ILE 10 15.261 20.724 17.971 926 HD11 ILE 10 HD11 ILE 10 12.082 20.703 16.440 927 HD12 ILE 10 HD12 ILE 10 13.328 20.759 17.685 928 HD13 ILE 10 HD13 ILE 10 12.580 19.221 17.255 929 H CYS 11 HN CYS 11 16.619 16.535 16.597 930 HA CYS 11 HA CYS 11 19.056 17.301 17.830 931 HB2 CYS 11 HB2 CYS 11 17.597 15.525 18.713 932 HB3 CYS 11 HB1 CYS 11 17.940 14.541 17.290 933 HG CYS 11 HG CYS 11 19.904 13.737 18.566 934 H SER 12 HN SER 12 18.396 15.060 15.097 935 HA SER 12 HA SER 12 21.062 14.517 14.481 936 HB2 SER 12 HB2 SER 12 19.131 13.278 13.553 937 HB3 SER 12 HB1 SER 12 18.716 14.685 12.578 938 HG SER 12 HG SER 12 21.141 13.201 12.495 939 H PHE 13 HN PHE 13 18.936 17.126 13.368 940 HA PHE 13 HA PHE 13 20.589 18.243 11.419 941 HB2 PHE 13 HB2 PHE 13 18.285 18.960 11.692 942 HB3 PHE 13 HB1 PHE 13 18.640 19.587 13.303 943 HD1 PHE 13 HD1 PHE 13 19.850 19.891 9.764 944 HD2 PHE 13 HD2 PHE 13 19.183 21.845 13.530 945 HE1 PHE 13 HE1 PHE 13 20.552 22.050 8.767 946 HE2 PHE 13 HE2 PHE 13 19.885 24.006 12.534 947 HZ PHE 13 HZ PHE 13 20.570 24.108 10.152 948 H ILE 14 HN ILE 14 20.394 18.955 14.908 949 HA ILE 14 HA ILE 14 22.345 20.973 14.971 950 HB ILE 14 HB ILE 14 21.483 18.963 17.054 951 HG12 ILE 14 HG12 ILE 14 20.966 21.940 16.880 952 HG13 ILE 14 HG11 ILE 14 19.880 20.745 16.171 953 HG21 ILE 14 HG21 ILE 14 23.673 19.601 17.734 954 HG22 ILE 14 HG22 ILE 14 22.587 20.654 18.640 955 HG23 ILE 14 HG23 ILE 14 23.430 21.271 17.219 956 HD11 ILE 14 HD11 ILE 14 18.998 21.179 18.341 957 HD12 ILE 14 HD12 ILE 14 20.595 21.113 19.085 958 HD13 ILE 14 HD13 ILE 14 19.840 19.637 18.485 959 H LEU 15 HN LEU 15 22.651 17.440 15.311 960 HA LEU 15 HA LEU 15 25.420 17.409 15.867 961 HB2 LEU 15 HB2 LEU 15 23.417 15.438 14.894 962 HB3 LEU 15 HB1 LEU 15 25.122 15.047 14.671 963 HG LEU 15 HG LEU 15 24.063 16.005 17.330 964 HD11 LEU 15 HD11 LEU 15 24.310 13.133 16.382 965 HD12 LEU 15 HD12 LEU 15 22.785 13.987 16.616 966 HD13 LEU 15 HD13 LEU 15 23.833 13.659 17.996 967 HD21 LEU 15 HD21 LEU 15 26.471 16.070 17.082 968 HD22 LEU 15 HD22 LEU 15 26.491 14.445 16.396 969 HD23 LEU 15 HD23 LEU 15 26.075 14.680 18.093 970 H SER 16 HN SER 16 23.754 16.739 12.782 971 HA SER 16 HA SER 16 25.911 16.463 11.119 972 HB2 SER 16 HB2 SER 16 24.464 17.242 9.292 973 HB3 SER 16 HB1 SER 16 23.563 16.206 10.396 974 HG SER 16 HG SER 16 22.769 18.474 9.672 975 H ALA 17 HN ALA 17 24.418 19.496 12.187 976 HA ALA 17 HA ALA 17 25.970 21.261 10.641 977 HB1 ALA 17 HB1 ALA 17 24.773 21.698 13.393 978 HB2 ALA 17 HB2 ALA 17 23.938 21.948 11.860 979 HB3 ALA 17 HB3 ALA 17 25.313 22.965 12.292 980 H LEU 18 HN LEU 18 26.449 20.048 13.960 981 HA LEU 18 HA LEU 18 28.934 21.397 14.344 982 HB2 LEU 18 HB2 LEU 18 27.339 19.360 15.800 983 HB3 LEU 18 HB1 LEU 18 29.069 19.400 16.143 984 HG LEU 18 HG LEU 18 27.624 20.895 17.614 985 HD11 LEU 18 HD11 LEU 18 30.124 21.158 17.143 986 HD12 LEU 18 HD12 LEU 18 29.285 22.601 17.709 987 HD13 LEU 18 HD13 LEU 18 29.674 22.422 16.001 988 HD21 LEU 18 HD21 LEU 18 27.560 22.707 15.190 989 HD22 LEU 18 HD22 LEU 18 26.698 22.896 16.716 990 HD23 LEU 18 HD23 LEU 18 26.215 21.635 15.584 991 H HIS 19 HN HIS 19 28.042 18.536 12.681 992 HA HIS 19 HA HIS 19 30.476 17.089 12.899 993 HB2 HIS 19 HB2 HIS 19 28.175 16.244 12.131 994 HB3 HIS 19 HB1 HIS 19 28.566 16.961 10.568 995 HD2 HIS 19 HD2 HIS 19 31.253 15.934 9.604 996 HE1 HIS 19 HE1 HIS 19 30.624 12.222 11.515 997 HE2 HIS 19 HE2 HIS 19 32.029 13.449 9.790 998 H PHE 20 HN PHE 20 29.123 18.964 10.155 999 HA PHE 20 HA PHE 20 31.586 18.955 8.729 1000 HB2 PHE 20 HB2 PHE 20 28.909 20.156 8.405 1001 HB3 PHE 20 HB1 PHE 20 30.228 21.079 7.683 1002 HD1 PHE 20 HD1 PHE 20 28.203 18.056 7.473 1003 HD2 PHE 20 HD2 PHE 20 31.769 19.971 6.037 1004 HE1 PHE 20 HE1 PHE 20 28.313 16.441 5.591 1005 HE2 PHE 20 HE2 PHE 20 31.881 18.358 4.155 1006 HZ PHE 20 HZ PHE 20 30.158 16.585 3.934 1007 H MET 21 HN MET 21 30.236 20.978 11.224 1008 HA MET 21 HA MET 21 31.773 23.302 10.816 1009 HB2 MET 21 HB2 MET 21 29.877 23.263 12.350 1010 HB3 MET 21 HB1 MET 21 30.696 22.085 13.375 1011 HG2 MET 21 HG2 MET 21 32.388 23.661 13.987 1012 HG3 MET 21 HG1 MET 21 31.864 24.804 12.750 1013 HE1 MET 21 HE1 MET 21 31.008 26.810 15.786 1014 HE2 MET 21 HE2 MET 21 32.238 26.319 14.625 1015 HE3 MET 21 HE3 MET 21 32.104 25.472 16.164 1016 H ALA 22 HN ALA 22 32.365 20.479 12.911 1017 HA ALA 22 HA ALA 22 34.904 21.292 13.821 1018 HB1 ALA 22 HB1 ALA 22 33.579 18.591 13.585 1019 HB2 ALA 22 HB2 ALA 22 33.868 19.546 15.039 1020 HB3 ALA 22 HB3 ALA 22 35.219 18.773 14.212 1021 H TRP 23 HN TRP 23 33.842 19.473 10.994 1022 HA TRP 23 HA TRP 23 36.381 18.661 10.074 1023 HB2 TRP 23 HB2 TRP 23 33.707 19.092 8.809 1024 HB3 TRP 23 HB1 TRP 23 35.106 18.863 7.764 1025 HD1 TRP 23 HD1 TRP 23 35.349 17.049 11.023 1026 HE1 TRP 23 HE1 TRP 23 34.998 14.528 10.635 1027 HE3 TRP 23 HE3 TRP 23 33.618 17.116 6.216 1028 HZ2 TRP 23 HZ2 TRP 23 34.079 12.773 8.588 1029 HZ3 TRP 23 HZ3 TRP 23 33.006 15.005 5.072 1030 HH2 TRP 23 HH2 TRP 23 33.236 12.831 6.253 1031 H THR 24 HN THR 24 34.511 21.601 9.379 1032 HA THR 24 HA THR 24 36.253 22.741 7.528 1033 HB THR 24 HB THR 24 34.555 24.112 9.626 1034 HG1 THR 24 HG1 THR 24 33.089 23.226 8.407 1035 HG21 THR 24 HG21 THR 24 35.959 25.115 7.145 1036 HG22 THR 24 HG22 THR 24 36.090 25.731 8.792 1037 HG23 THR 24 HG23 THR 24 34.601 25.972 7.879 1038 H ILE 25 HN ILE 25 36.244 22.968 11.080 1039 HA ILE 25 HA ILE 25 38.495 24.713 11.229 1040 HB ILE 25 HB ILE 25 37.447 22.760 13.296 1041 HG12 ILE 25 HG12 ILE 25 35.667 24.257 12.621 1042 HG13 ILE 25 HG11 ILE 25 36.272 24.804 14.181 1043 HG21 ILE 25 HG21 ILE 25 38.535 24.271 14.907 1044 HG22 ILE 25 HG22 ILE 25 39.149 25.253 13.578 1045 HG23 ILE 25 HG23 ILE 25 39.713 23.594 13.783 1046 HD11 ILE 25 HD11 ILE 25 36.086 26.787 12.891 1047 HD12 ILE 25 HD12 ILE 25 36.760 26.011 11.456 1048 HD13 ILE 25 HD13 ILE 25 37.800 26.387 12.829 1049 H GLY 26 HN GLY 26 38.134 21.220 11.281 1050 HA2 GLY 26 HA2 GLY 26 40.787 20.545 11.943 1051 HA3 GLY 26 HA1 GLY 26 39.683 19.521 11.031 1052 H HIS 27 HN HIS 27 39.235 20.984 8.771 1053 HA HIS 27 HA HIS 27 41.500 20.447 7.186 1054 HB2 HIS 27 HB2 HIS 27 39.223 20.510 6.273 1055 HB3 HIS 27 HB1 HIS 27 39.141 22.246 6.579 1056 HD2 HIS 27 HD2 HIS 27 42.425 20.700 5.057 1057 HE1 HIS 27 HE1 HIS 27 40.550 23.021 2.070 1058 HE2 HIS 27 HE2 HIS 27 42.641 21.703 2.655 1059 H LEU 28 HN LEU 28 40.305 23.422 8.661 1060 HA LEU 28 HA LEU 28 42.349 25.071 7.455 1061 HB2 LEU 28 HB2 LEU 28 40.249 25.549 9.566 1062 HB3 LEU 28 HB1 LEU 28 41.448 26.769 9.135 1063 HG LEU 28 HG LEU 28 39.753 25.409 7.037 1064 HD11 LEU 28 HD11 LEU 28 39.153 28.011 8.476 1065 HD12 LEU 28 HD12 LEU 28 38.278 26.501 8.730 1066 HD13 LEU 28 HD13 LEU 28 38.215 27.305 7.161 1067 HD21 LEU 28 HD21 LEU 28 41.397 27.948 7.211 1068 HD22 LEU 28 HD22 LEU 28 40.277 27.626 5.886 1069 HD23 LEU 28 HD23 LEU 28 41.663 26.566 6.149 1070 H ASN 29 HN ASN 29 42.256 22.902 10.062 1071 HA ASN 29 HA ASN 29 43.735 22.412 11.742 1072 HB2 ASN 29 HB2 ASN 29 45.314 22.806 9.721 1073 HB3 ASN 29 HB1 ASN 29 45.683 24.340 10.509 1074 HD21 ASN 29 HD21 ASN 29 47.762 23.920 11.364 1075 HD22 ASN 29 HD22 ASN 29 48.099 22.645 12.433 1076 H GLN 30 HN GLN 30 41.855 24.508 12.153 1077 HA GLN 30 HA GLN 30 41.362 26.159 13.668 1078 HB2 GLN 30 HB2 GLN 30 44.017 25.394 14.905 1079 HB3 GLN 30 HB1 GLN 30 42.701 26.265 15.693 1080 HG2 GLN 30 HG2 GLN 30 41.222 24.308 15.358 1081 HG3 GLN 30 HG1 GLN 30 42.561 23.436 14.614 1082 HE21 GLN 30 HE21 GLN 30 44.682 23.609 16.167 1083 HE22 GLN 30 HE22 GLN 30 44.367 23.234 17.792 1084 H ILE 31 HN ILE 31 43.256 26.605 11.265 1085 HA ILE 31 HA ILE 31 44.323 28.382 10.299 1086 HB ILE 31 HB ILE 31 43.156 29.963 12.604 1087 HG12 ILE 31 HG12 ILE 31 41.974 29.476 9.849 1088 HG13 ILE 31 HG11 ILE 31 41.485 28.579 11.286 1089 HG21 ILE 31 HG21 ILE 31 44.286 30.680 9.889 1090 HG22 ILE 31 HG22 ILE 31 44.761 31.307 11.468 1091 HG23 ILE 31 HG23 ILE 31 43.213 31.770 10.765 1092 HD11 ILE 31 HD11 ILE 31 39.923 30.379 11.061 1093 HD12 ILE 31 HD12 ILE 31 41.215 31.548 10.788 1094 HD13 ILE 31 HD13 ILE 31 41.006 30.823 12.381 1095 H LYS 32 HN LYS 32 46.151 29.833 10.539 1096 HA LYS 32 HA LYS 32 48.219 30.403 11.338 1097 HB2 LYS 32 HB2 LYS 32 46.571 30.820 13.444 1098 HB3 LYS 32 HB1 LYS 32 47.628 29.588 14.125 1099 HG2 LYS 32 HG2 LYS 32 49.284 31.087 14.391 1100 HG3 LYS 32 HG1 LYS 32 49.205 31.545 12.692 1101 HD2 LYS 32 HD2 LYS 32 48.676 33.545 13.819 1102 HD3 LYS 32 HD1 LYS 32 47.096 32.897 13.379 1103 HE2 LYS 32 HE2 LYS 32 46.699 33.305 15.611 1104 HE3 LYS 32 HE1 LYS 32 47.369 31.679 15.748 1105 HZ1 LYS 32 HZ1 LYS 32 49.191 33.980 15.762 1106 HZ2 LYS 32 HZ2 LYS 32 49.365 32.460 16.501 1107 HZ3 LYS 32 HZ3 LYS 32 48.321 33.619 17.172 1108 H ARG 33 HN ARG 33 50.089 29.449 12.757 1109 HA ARG 33 HA ARG 33 50.577 26.815 11.772 1110 HB2 ARG 33 HB2 ARG 33 52.140 28.913 12.700 1111 HB3 ARG 33 HB1 ARG 33 52.344 27.664 13.928 1112 HG2 ARG 33 HG2 ARG 33 53.124 26.075 12.341 1113 HG3 ARG 33 HG1 ARG 33 52.562 27.045 10.978 1114 HD2 ARG 33 HD2 ARG 33 54.888 27.430 11.029 1115 HD3 ARG 33 HD1 ARG 33 54.213 28.845 11.824 1116 HE ARG 33 HE ARG 33 55.709 26.669 13.089 1117 HH11 ARG 33 HH11 ARG 33 53.782 29.568 13.487 1118 HH12 ARG 33 HH12 ARG 33 54.341 29.849 15.097 1119 HH21 ARG 33 HH21 ARG 33 56.397 27.078 15.198 1120 HH22 ARG 33 HH22 ARG 33 55.799 28.459 16.058 Start of MODEL 10 1 H1 MET 1 HT1 MET 1 -0.837 11.628 -1.106 2 H2 MET 1 HT2 MET 1 -1.399 10.861 0.302 3 H3 MET 1 HT3 MET 1 -1.924 10.333 -1.225 4 HA MET 1 HA MET 1 -0.088 9.021 0.023 5 HB2 MET 1 HB2 MET 1 0.776 8.294 -2.124 6 HB3 MET 1 HB1 MET 1 -0.940 8.654 -2.318 7 HG2 MET 1 HG2 MET 1 -0.229 10.993 -3.059 8 HG3 MET 1 HG1 MET 1 1.416 10.362 -3.145 9 HE1 MET 1 HE1 MET 1 -0.279 10.788 -6.764 10 HE2 MET 1 HE2 MET 1 1.183 11.214 -5.876 11 HE3 MET 1 HE3 MET 1 -0.390 11.720 -5.265 12 H PHE 2 HN PHE 2 0.373 11.958 0.483 13 HA PHE 2 HA PHE 2 3.054 12.466 -0.468 14 HB2 PHE 2 HB2 PHE 2 1.452 14.309 -0.136 15 HB3 PHE 2 HB1 PHE 2 1.391 13.938 1.588 16 HD1 PHE 2 HD1 PHE 2 3.786 14.806 -1.154 17 HD2 PHE 2 HD2 PHE 2 2.957 14.888 3.061 18 HE1 PHE 2 HE1 PHE 2 5.810 16.190 -0.783 19 HE2 PHE 2 HE2 PHE 2 4.981 16.273 3.431 20 HZ PHE 2 HZ PHE 2 6.407 16.925 1.510 21 H GLU 3 HN GLU 3 4.912 11.998 0.531 22 HA GLU 3 HA GLU 3 4.740 10.719 3.146 23 HB2 GLU 3 HB2 GLU 3 6.914 10.649 1.076 24 HB3 GLU 3 HB1 GLU 3 7.019 9.873 2.658 25 HG2 GLU 3 HG2 GLU 3 4.934 8.607 2.138 26 HG3 GLU 3 HG1 GLU 3 4.937 9.320 0.526 27 HA PRO 4 HA PRO 4 6.597 14.587 4.610 28 HB2 PRO 4 HB2 PRO 4 6.397 14.031 7.270 29 HB3 PRO 4 HB1 PRO 4 5.023 14.574 6.291 30 HG2 PRO 4 HG2 PRO 4 5.706 11.848 7.248 31 HG3 PRO 4 HG1 PRO 4 4.123 12.615 7.048 32 HD2 PRO 4 HD2 PRO 4 5.223 10.811 5.271 33 HD3 PRO 4 HD1 PRO 4 3.961 11.991 4.857 34 H PHE 5 HN PHE 5 7.495 11.397 5.895 35 HA PHE 5 HA PHE 5 10.005 12.190 6.973 36 HB2 PHE 5 HB2 PHE 5 10.350 9.940 7.433 37 HB3 PHE 5 HB1 PHE 5 8.590 10.025 7.369 38 HD1 PHE 5 HD1 PHE 5 11.580 8.648 5.858 39 HD2 PHE 5 HD2 PHE 5 7.395 9.386 5.233 40 HE1 PHE 5 HE1 PHE 5 11.567 7.004 4.002 41 HE2 PHE 5 HE2 PHE 5 7.381 7.739 3.378 42 HZ PHE 5 HZ PHE 5 9.469 6.550 2.762 43 H GLN 6 HN GLN 6 8.971 11.981 3.779 44 HA GLN 6 HA GLN 6 11.200 10.891 2.471 45 HB2 GLN 6 HB2 GLN 6 8.924 11.402 1.474 46 HB3 GLN 6 HB1 GLN 6 9.424 13.092 1.407 47 HG2 GLN 6 HG2 GLN 6 10.188 12.476 -0.663 48 HG3 GLN 6 HG1 GLN 6 11.586 11.944 0.270 49 HE21 GLN 6 HE21 GLN 6 12.165 10.067 -0.927 50 HE22 GLN 6 HE22 GLN 6 11.125 8.742 -1.139 51 H ILE 7 HN ILE 7 10.546 14.071 3.805 52 HA ILE 7 HA ILE 7 12.614 15.490 2.485 53 HB ILE 7 HB ILE 7 12.247 17.205 4.116 54 HG12 ILE 7 HG12 ILE 7 11.006 15.000 5.788 55 HG13 ILE 7 HG11 ILE 7 12.463 15.911 6.161 56 HG21 ILE 7 HG21 ILE 7 9.890 17.514 3.940 57 HG22 ILE 7 HG22 ILE 7 9.588 15.776 3.905 58 HG23 ILE 7 HG23 ILE 7 10.344 16.569 2.523 59 HD11 ILE 7 HD11 ILE 7 9.613 16.889 6.145 60 HD12 ILE 7 HD12 ILE 7 10.976 18.006 6.083 61 HD13 ILE 7 HD13 ILE 7 10.777 16.932 7.467 62 H LEU 8 HN LEU 8 12.548 13.488 5.402 63 HA LEU 8 HA LEU 8 15.168 14.234 6.271 64 HB2 LEU 8 HB2 LEU 8 13.347 13.363 7.770 65 HB3 LEU 8 HB1 LEU 8 13.570 11.778 7.026 66 HG LEU 8 HG LEU 8 16.032 11.971 7.651 67 HD11 LEU 8 HD11 LEU 8 16.404 13.540 9.633 68 HD12 LEU 8 HD12 LEU 8 14.890 14.321 9.178 69 HD13 LEU 8 HD13 LEU 8 16.252 14.319 8.057 70 HD21 LEU 8 HD21 LEU 8 14.513 10.538 8.916 71 HD22 LEU 8 HD22 LEU 8 13.932 11.923 9.841 72 HD23 LEU 8 HD23 LEU 8 15.593 11.366 10.038 73 H SER 9 HN SER 9 13.789 11.746 4.242 74 HA SER 9 HA SER 9 16.161 10.119 4.135 75 HB2 SER 9 HB2 SER 9 13.945 9.162 3.702 76 HB3 SER 9 HB1 SER 9 13.766 10.200 2.291 77 HG SER 9 HG SER 9 14.551 8.265 1.567 78 H ILE 10 HN ILE 10 14.683 12.548 2.019 79 HA ILE 10 HA ILE 10 16.589 12.367 -0.060 80 HB ILE 10 HB ILE 10 14.698 14.565 0.786 81 HG12 ILE 10 HG12 ILE 10 13.944 12.302 -0.246 82 HG13 ILE 10 HG11 ILE 10 13.335 13.783 -0.985 83 HG21 ILE 10 HG21 ILE 10 16.691 14.459 -1.499 84 HG22 ILE 10 HG22 ILE 10 16.464 15.734 -0.307 85 HG23 ILE 10 HG23 ILE 10 15.249 15.476 -1.556 86 HD11 ILE 10 HD11 ILE 10 14.356 11.896 -2.515 87 HD12 ILE 10 HD12 ILE 10 15.902 12.580 -2.015 88 HD13 ILE 10 HD13 ILE 10 14.718 13.585 -2.852 89 H CYS 11 HN CYS 11 16.375 14.424 2.836 90 HA CYS 11 HA CYS 11 18.620 16.038 2.239 91 HB2 CYS 11 HB2 CYS 11 17.245 15.294 4.820 92 HB3 CYS 11 HB1 CYS 11 18.611 16.408 4.762 93 HG CYS 11 HG CYS 11 17.133 17.909 3.102 94 H SER 12 HN SER 12 18.312 13.150 4.342 95 HA SER 12 HA SER 12 21.001 12.982 5.084 96 HB2 SER 12 HB2 SER 12 20.504 10.637 5.617 97 HB3 SER 12 HB1 SER 12 19.187 11.681 6.143 98 HG SER 12 HG SER 12 18.944 9.610 4.652 99 H PHE 13 HN PHE 13 19.291 11.685 2.261 100 HA PHE 13 HA PHE 13 21.374 10.116 1.219 101 HB2 PHE 13 HB2 PHE 13 19.005 10.075 0.432 102 HB3 PHE 13 HB1 PHE 13 19.271 11.637 -0.339 103 HD1 PHE 13 HD1 PHE 13 19.923 8.042 -0.491 104 HD2 PHE 13 HD2 PHE 13 20.879 11.857 -2.221 105 HE1 PHE 13 HE1 PHE 13 20.905 6.903 -2.461 106 HE2 PHE 13 HE2 PHE 13 21.861 10.716 -4.192 107 HZ PHE 13 HZ PHE 13 21.873 8.239 -4.313 108 H ILE 14 HN ILE 14 20.521 13.529 0.657 109 HA ILE 14 HA ILE 14 22.531 14.062 -1.252 110 HB ILE 14 HB ILE 14 21.083 15.868 0.696 111 HG12 ILE 14 HG12 ILE 14 20.783 15.578 -2.305 112 HG13 ILE 14 HG11 ILE 14 19.815 14.653 -1.157 113 HG21 ILE 14 HG21 ILE 14 22.925 16.550 -1.617 114 HG22 ILE 14 HG22 ILE 14 23.202 16.925 0.084 115 HG23 ILE 14 HG23 ILE 14 21.890 17.711 -0.789 116 HD11 ILE 14 HD11 ILE 14 19.951 17.676 -1.368 117 HD12 ILE 14 HD12 ILE 14 19.064 16.798 -0.122 118 HD13 ILE 14 HD13 ILE 14 18.583 16.655 -1.812 119 H LEU 15 HN LEU 15 22.463 14.553 2.282 120 HA LEU 15 HA LEU 15 25.072 15.621 2.479 121 HB2 LEU 15 HB2 LEU 15 23.299 14.216 4.488 122 HB3 LEU 15 HB1 LEU 15 24.851 14.945 4.902 123 HG LEU 15 HG LEU 15 22.649 16.483 3.509 124 HD11 LEU 15 HD11 LEU 15 22.083 17.416 5.707 125 HD12 LEU 15 HD12 LEU 15 23.289 16.382 6.475 126 HD13 LEU 15 HD13 LEU 15 21.864 15.665 5.722 127 HD21 LEU 15 HD21 LEU 15 25.248 17.186 4.900 128 HD22 LEU 15 HD22 LEU 15 23.997 18.393 4.601 129 HD23 LEU 15 HD23 LEU 15 24.761 17.560 3.246 130 H SER 16 HN SER 16 23.864 12.382 2.211 131 HA SER 16 HA SER 16 26.165 11.040 3.236 132 HB2 SER 16 HB2 SER 16 24.022 9.901 3.141 133 HB3 SER 16 HB1 SER 16 23.965 10.085 1.390 134 HG SER 16 HG SER 16 25.539 8.412 2.988 135 H ALA 17 HN ALA 17 25.052 11.894 -0.025 136 HA ALA 17 HA ALA 17 27.267 10.688 -1.367 137 HB1 ALA 17 HB1 ALA 17 26.438 11.826 -3.343 138 HB2 ALA 17 HB2 ALA 17 25.435 12.885 -2.353 139 HB3 ALA 17 HB3 ALA 17 25.070 11.162 -2.448 140 H LEU 18 HN LEU 18 26.663 13.826 0.074 141 HA LEU 18 HA LEU 18 28.911 15.109 -1.193 142 HB2 LEU 18 HB2 LEU 18 26.769 15.851 0.685 143 HB3 LEU 18 HB1 LEU 18 28.303 16.679 0.954 144 HG LEU 18 HG LEU 18 28.345 17.231 -1.507 145 HD11 LEU 18 HD11 LEU 18 26.264 17.000 -2.772 146 HD12 LEU 18 HD12 LEU 18 25.471 16.270 -1.377 147 HD13 LEU 18 HD13 LEU 18 26.780 15.416 -2.194 148 HD21 LEU 18 HD21 LEU 18 25.944 18.212 0.072 149 HD22 LEU 18 HD22 LEU 18 26.659 19.031 -1.317 150 HD23 LEU 18 HD23 LEU 18 27.579 18.866 0.179 151 H HIS 19 HN HIS 19 28.288 13.398 1.814 152 HA HIS 19 HA HIS 19 30.641 14.209 3.183 153 HB2 HIS 19 HB2 HIS 19 28.680 13.233 4.322 154 HB3 HIS 19 HB1 HIS 19 29.004 11.691 3.526 155 HD2 HIS 19 HD2 HIS 19 30.623 10.077 5.060 156 HE1 HIS 19 HE1 HIS 19 32.523 13.089 7.326 157 HE2 HIS 19 HE2 HIS 19 32.328 10.583 6.971 158 H PHE 20 HN PHE 20 29.819 11.346 1.235 159 HA PHE 20 HA PHE 20 32.433 10.180 1.456 160 HB2 PHE 20 HB2 PHE 20 29.911 9.560 0.124 161 HB3 PHE 20 HB1 PHE 20 31.320 9.128 -0.843 162 HD1 PHE 20 HD1 PHE 20 29.840 8.779 2.572 163 HD2 PHE 20 HD2 PHE 20 32.612 7.228 -0.318 164 HE1 PHE 20 HE1 PHE 20 30.229 6.797 4.010 165 HE2 PHE 20 HE2 PHE 20 33.001 5.244 1.118 166 HZ PHE 20 HZ PHE 20 31.817 5.030 3.287 167 H MET 21 HN MET 21 30.930 12.531 -0.657 168 HA MET 21 HA MET 21 32.714 12.389 -2.843 169 HB2 MET 21 HB2 MET 21 30.813 14.389 -1.735 170 HB3 MET 21 HB1 MET 21 32.049 14.994 -2.841 171 HG2 MET 21 HG2 MET 21 30.423 12.546 -3.517 172 HG3 MET 21 HG1 MET 21 29.821 14.164 -3.874 173 HE1 MET 21 HE1 MET 21 30.420 15.614 -5.383 174 HE2 MET 21 HE2 MET 21 31.611 15.510 -6.676 175 HE3 MET 21 HE3 MET 21 32.119 15.985 -5.057 176 H ALA 22 HN ALA 22 32.727 14.618 -0.028 177 HA ALA 22 HA ALA 22 35.230 15.800 -0.637 178 HB1 ALA 22 HB1 ALA 22 35.044 16.887 1.416 179 HB2 ALA 22 HB2 ALA 22 34.221 15.525 2.175 180 HB3 ALA 22 HB3 ALA 22 33.359 16.544 1.023 181 H TRP 23 HN TRP 23 34.308 13.014 1.358 182 HA TRP 23 HA TRP 23 36.797 12.507 2.548 183 HB2 TRP 23 HB2 TRP 23 34.276 11.175 2.281 184 HB3 TRP 23 HB1 TRP 23 35.568 10.018 1.957 185 HD1 TRP 23 HD1 TRP 23 34.352 12.456 4.664 186 HE1 TRP 23 HE1 TRP 23 35.360 11.725 6.924 187 HE3 TRP 23 HE3 TRP 23 37.436 8.697 3.091 188 HZ2 TRP 23 HZ2 TRP 23 37.223 9.802 7.932 189 HZ3 TRP 23 HZ3 TRP 23 38.813 7.431 4.716 190 HH2 TRP 23 HH2 TRP 23 38.710 7.981 7.136 191 H THR 24 HN THR 24 35.432 11.250 -0.497 192 HA THR 24 HA THR 24 37.543 9.617 -1.272 193 HB THR 24 HB THR 24 35.746 11.311 -3.028 194 HG1 THR 24 HG1 THR 24 34.338 9.976 -2.241 195 HG21 THR 24 HG21 THR 24 37.663 10.509 -4.285 196 HG22 THR 24 HG22 THR 24 36.257 9.539 -4.723 197 HG23 THR 24 HG23 THR 24 37.467 8.888 -3.617 198 H ILE 25 HN ILE 25 37.029 13.092 -1.892 199 HA ILE 25 HA ILE 25 39.400 13.468 -3.412 200 HB ILE 25 HB ILE 25 37.706 15.375 -1.798 201 HG12 ILE 25 HG12 ILE 25 38.050 15.099 -4.796 202 HG13 ILE 25 HG11 ILE 25 36.800 14.235 -3.896 203 HG21 ILE 25 HG21 ILE 25 38.941 17.133 -3.157 204 HG22 ILE 25 HG22 ILE 25 40.114 15.879 -3.564 205 HG23 ILE 25 HG23 ILE 25 39.889 16.366 -1.882 206 HD11 ILE 25 HD11 ILE 25 35.920 16.348 -4.824 207 HD12 ILE 25 HD12 ILE 25 37.163 17.246 -3.952 208 HD13 ILE 25 HD13 ILE 25 35.913 16.379 -3.060 209 H GLY 26 HN GLY 26 38.711 13.732 0.027 210 HA2 GLY 26 HA2 GLY 26 41.149 14.854 0.869 211 HA3 GLY 26 HA1 GLY 26 40.101 13.859 1.877 212 H HIS 27 HN HIS 27 40.168 11.441 0.612 213 HA HIS 27 HA HIS 27 42.608 10.339 1.498 214 HB2 HIS 27 HB2 HIS 27 40.370 9.154 1.247 215 HB3 HIS 27 HB1 HIS 27 40.736 9.034 -0.476 216 HD2 HIS 27 HD2 HIS 27 41.592 7.197 2.793 217 HE1 HIS 27 HE1 HIS 27 44.301 5.779 -0.115 218 HE2 HIS 27 HE2 HIS 27 43.400 5.400 2.228 219 H LEU 28 HN LEU 28 41.457 11.297 -1.700 220 HA LEU 28 HA LEU 28 43.646 10.212 -3.160 221 HB2 LEU 28 HB2 LEU 28 41.376 12.033 -3.693 222 HB3 LEU 28 HB1 LEU 28 42.789 12.274 -4.719 223 HG LEU 28 HG LEU 28 41.071 10.597 -5.579 224 HD11 LEU 28 HD11 LEU 28 43.509 10.717 -6.259 225 HD12 LEU 28 HD12 LEU 28 42.771 9.127 -6.443 226 HD13 LEU 28 HD13 LEU 28 43.830 9.451 -5.075 227 HD21 LEU 28 HD21 LEU 28 40.851 9.611 -3.154 228 HD22 LEU 28 HD22 LEU 28 42.285 8.684 -3.575 229 HD23 LEU 28 HD23 LEU 28 40.810 8.507 -4.523 230 H ASN 29 HN ASN 29 43.070 13.319 -1.626 231 HA ASN 29 HA ASN 29 44.521 15.006 -1.065 232 HB2 ASN 29 HB2 ASN 29 46.064 12.641 -0.972 233 HB3 ASN 29 HB1 ASN 29 47.040 13.839 -1.820 234 HD21 ASN 29 HD21 ASN 29 46.124 12.776 1.278 235 HD22 ASN 29 HD22 ASN 29 46.605 14.147 2.154 236 H GLN 30 HN GLN 30 44.665 16.746 -2.288 237 HA GLN 30 HA GLN 30 45.298 16.489 -5.133 238 HB2 GLN 30 HB2 GLN 30 44.656 18.932 -5.180 239 HB3 GLN 30 HB1 GLN 30 43.369 17.833 -4.683 240 HG2 GLN 30 HG2 GLN 30 45.061 18.800 -2.472 241 HG3 GLN 30 HG1 GLN 30 44.128 20.061 -3.275 242 HE21 GLN 30 HE21 GLN 30 42.391 20.376 -1.834 243 HE22 GLN 30 HE22 GLN 30 41.357 19.136 -1.310 244 H ILE 31 HN ILE 31 47.404 16.106 -3.172 245 HA ILE 31 HA ILE 31 49.611 16.660 -2.914 246 HB ILE 31 HB ILE 31 49.112 18.550 -5.235 247 HG12 ILE 31 HG12 ILE 31 50.263 15.763 -5.294 248 HG13 ILE 31 HG11 ILE 31 48.559 16.097 -5.605 249 HG21 ILE 31 HG21 ILE 31 51.490 18.508 -5.538 250 HG22 ILE 31 HG22 ILE 31 51.684 17.307 -4.263 251 HG23 ILE 31 HG23 ILE 31 51.182 18.947 -3.859 252 HD11 ILE 31 HD11 ILE 31 49.831 16.010 -7.715 253 HD12 ILE 31 HD12 ILE 31 50.888 17.295 -7.131 254 HD13 ILE 31 HD13 ILE 31 49.182 17.625 -7.434 255 H LYS 32 HN LYS 32 48.623 19.868 -4.059 256 HA LYS 32 HA LYS 32 48.363 20.955 -1.436 257 HB2 LYS 32 HB2 LYS 32 50.974 20.782 -2.530 258 HB3 LYS 32 HB1 LYS 32 50.492 22.474 -2.629 259 HG2 LYS 32 HG2 LYS 32 49.611 21.790 -0.112 260 HG3 LYS 32 HG1 LYS 32 51.083 20.831 -0.261 261 HD2 LYS 32 HD2 LYS 32 52.287 22.902 -0.978 262 HD3 LYS 32 HD1 LYS 32 50.811 23.818 -0.667 263 HE2 LYS 32 HE2 LYS 32 50.932 22.645 1.690 264 HE3 LYS 32 HE1 LYS 32 52.636 22.455 1.285 265 HZ1 LYS 32 HZ1 LYS 32 52.935 24.546 1.901 266 HZ2 LYS 32 HZ2 LYS 32 51.272 24.766 2.159 267 HZ3 LYS 32 HZ3 LYS 32 51.944 25.069 0.628 268 H ARG 33 HN ARG 33 46.955 20.822 -4.030 269 HA ARG 33 HA ARG 33 45.702 22.184 -5.394 270 HB2 ARG 33 HB2 ARG 33 44.980 23.009 -3.145 271 HB3 ARG 33 HB1 ARG 33 46.219 24.260 -3.255 272 HG2 ARG 33 HG2 ARG 33 45.183 25.250 -5.169 273 HG3 ARG 33 HG1 ARG 33 44.091 23.879 -5.372 274 HD2 ARG 33 HD2 ARG 33 43.064 24.410 -3.166 275 HD3 ARG 33 HD1 ARG 33 44.109 25.820 -3.042 276 HE ARG 33 HE ARG 33 41.764 25.549 -4.727 277 HH11 ARG 33 HH11 ARG 33 44.776 27.217 -4.154 278 HH12 ARG 33 HH12 ARG 33 44.292 28.631 -5.017 279 HH21 ARG 33 HH21 ARG 33 41.160 27.419 -5.861 280 HH22 ARG 33 HH22 ARG 33 42.263 28.748 -5.981 281 H1 MET 1 HT1 MET 1 1.358 -4.812 5.534 282 H2 MET 1 HT2 MET 1 0.509 -3.543 6.281 283 H3 MET 1 HT3 MET 1 0.188 -5.153 6.716 284 HA MET 1 HA MET 1 1.682 -3.680 8.224 285 HB2 MET 1 HB2 MET 1 2.788 -5.694 8.995 286 HB3 MET 1 HB1 MET 1 1.165 -6.133 8.463 287 HG2 MET 1 HG2 MET 1 2.202 -6.680 6.192 288 HG3 MET 1 HG1 MET 1 3.772 -6.540 6.985 289 HE1 MET 1 HE1 MET 1 2.707 -10.359 6.328 290 HE2 MET 1 HE2 MET 1 4.035 -9.234 6.053 291 HE3 MET 1 HE3 MET 1 2.434 -8.869 5.415 292 H PHE 2 HN PHE 2 2.337 -3.073 5.346 293 HA PHE 2 HA PHE 2 5.165 -3.590 5.084 294 HB2 PHE 2 HB2 PHE 2 3.711 -3.447 3.101 295 HB3 PHE 2 HB1 PHE 2 3.349 -1.767 3.494 296 HD1 PHE 2 HD1 PHE 2 6.208 -4.083 2.809 297 HD2 PHE 2 HD2 PHE 2 4.754 -0.042 2.730 298 HE1 PHE 2 HE1 PHE 2 8.268 -3.365 1.631 299 HE2 PHE 2 HE2 PHE 2 6.815 0.677 1.552 300 HZ PHE 2 HZ PHE 2 8.572 -0.984 1.004 301 H GLU 3 HN GLU 3 6.798 -2.339 5.746 302 HA GLU 3 HA GLU 3 6.110 0.178 7.044 303 HB2 GLU 3 HB2 GLU 3 8.561 -1.538 7.287 304 HB3 GLU 3 HB1 GLU 3 8.349 0.017 8.095 305 HG2 GLU 3 HG2 GLU 3 6.268 -0.851 9.153 306 HG3 GLU 3 HG1 GLU 3 6.576 -2.421 8.411 307 HA PRO 4 HA PRO 4 8.067 2.031 3.401 308 HB2 PRO 4 HB2 PRO 4 7.420 4.613 3.989 309 HB3 PRO 4 HB1 PRO 4 6.263 3.459 3.300 310 HG2 PRO 4 HG2 PRO 4 6.544 4.421 6.093 311 HG3 PRO 4 HG1 PRO 4 5.087 4.005 5.180 312 HD2 PRO 4 HD2 PRO 4 6.288 2.361 7.050 313 HD3 PRO 4 HD1 PRO 4 5.207 1.801 5.757 314 H PHE 5 HN PHE 5 8.473 3.329 6.687 315 HA PHE 5 HA PHE 5 10.851 4.795 6.149 316 HB2 PHE 5 HB2 PHE 5 10.921 5.230 8.429 317 HB3 PHE 5 HB1 PHE 5 9.206 4.912 8.177 318 HD1 PHE 5 HD1 PHE 5 12.244 3.823 9.814 319 HD2 PHE 5 HD2 PHE 5 8.295 2.598 8.656 320 HE1 PHE 5 HE1 PHE 5 12.359 1.937 11.419 321 HE2 PHE 5 HE2 PHE 5 8.409 0.712 10.263 322 HZ PHE 5 HZ PHE 5 10.442 0.381 11.644 323 H GLN 6 HN GLN 6 10.299 1.478 6.208 324 HA GLN 6 HA GLN 6 12.594 0.483 7.478 325 HB2 GLN 6 HB2 GLN 6 10.552 -0.826 6.728 326 HB3 GLN 6 HB1 GLN 6 11.212 -0.760 5.093 327 HG2 GLN 6 HG2 GLN 6 12.219 -2.713 5.744 328 HG3 GLN 6 HG1 GLN 6 13.405 -1.600 6.423 329 HE21 GLN 6 HE21 GLN 6 13.985 -2.755 8.326 330 HE22 GLN 6 HE22 GLN 6 12.872 -3.161 9.542 331 H ILE 7 HN ILE 7 12.033 1.803 4.269 332 HA ILE 7 HA ILE 7 14.402 0.858 3.033 333 HB ILE 7 HB ILE 7 13.950 2.474 1.322 334 HG12 ILE 7 HG12 ILE 7 12.265 3.861 3.428 335 HG13 ILE 7 HG11 ILE 7 13.728 4.481 2.674 336 HG21 ILE 7 HG21 ILE 7 11.685 1.953 0.785 337 HG22 ILE 7 HG22 ILE 7 11.235 1.812 2.485 338 HG23 ILE 7 HG23 ILE 7 12.266 0.590 1.740 339 HD11 ILE 7 HD11 ILE 7 11.017 4.072 1.420 340 HD12 ILE 7 HD12 ILE 7 12.474 4.251 0.440 341 HD13 ILE 7 HD13 ILE 7 11.968 5.555 1.516 342 H LEU 8 HN LEU 8 13.712 3.669 5.074 343 HA LEU 8 HA LEU 8 16.225 4.940 4.593 344 HB2 LEU 8 HB2 LEU 8 14.128 6.122 5.315 345 HB3 LEU 8 HB1 LEU 8 14.316 5.367 6.898 346 HG LEU 8 HG LEU 8 16.663 6.360 6.952 347 HD11 LEU 8 HD11 LEU 8 16.870 8.424 5.463 348 HD12 LEU 8 HD12 LEU 8 15.520 7.775 4.533 349 HD13 LEU 8 HD13 LEU 8 17.030 6.871 4.642 350 HD21 LEU 8 HD21 LEU 8 14.852 7.338 8.261 351 HD22 LEU 8 HD22 LEU 8 14.253 8.204 6.845 352 HD23 LEU 8 HD23 LEU 8 15.812 8.637 7.551 353 H SER 9 HN SER 9 14.952 2.652 6.905 354 HA SER 9 HA SER 9 17.154 2.847 8.746 355 HB2 SER 9 HB2 SER 9 14.955 2.057 9.484 356 HB3 SER 9 HB1 SER 9 15.081 0.672 8.404 357 HG SER 9 HG SER 9 15.785 0.015 10.398 358 H ILE 10 HN ILE 10 16.242 0.611 6.153 359 HA ILE 10 HA ILE 10 18.419 -1.160 6.473 360 HB ILE 10 HB ILE 10 16.631 -0.536 4.119 361 HG12 ILE 10 HG12 ILE 10 15.834 -1.739 6.280 362 HG13 ILE 10 HG11 ILE 10 15.486 -2.515 4.735 363 HG21 ILE 10 HG21 ILE 10 18.928 -2.501 4.377 364 HG22 ILE 10 HG22 ILE 10 18.640 -1.319 3.104 365 HG23 ILE 10 HG23 ILE 10 17.610 -2.744 3.227 366 HD11 ILE 10 HD11 ILE 10 16.546 -3.930 6.691 367 HD12 ILE 10 HD12 ILE 10 18.055 -3.186 6.167 368 HD13 ILE 10 HD13 ILE 10 17.111 -4.160 5.041 369 H CYS 11 HN CYS 11 17.953 1.734 4.459 370 HA CYS 11 HA CYS 11 20.399 1.538 3.053 371 HB2 CYS 11 HB2 CYS 11 18.582 3.855 3.712 372 HB3 CYS 11 HB1 CYS 11 20.040 4.045 2.738 373 HG CYS 11 HG CYS 11 18.979 2.218 1.075 374 H SER 12 HN SER 12 19.516 3.475 5.937 375 HA SER 12 HA SER 12 22.038 4.606 6.372 376 HB2 SER 12 HB2 SER 12 21.256 4.989 8.666 377 HB3 SER 12 HB1 SER 12 19.969 5.336 7.514 378 HG SER 12 HG SER 12 19.762 3.781 9.529 379 H PHE 13 HN PHE 13 20.660 1.519 7.456 380 HA PHE 13 HA PHE 13 22.727 0.750 9.192 381 HB2 PHE 13 HB2 PHE 13 20.510 -0.382 8.997 382 HB3 PHE 13 HB1 PHE 13 21.028 -1.055 7.451 383 HD1 PHE 13 HD1 PHE 13 21.368 -1.225 11.088 384 HD2 PHE 13 HD2 PHE 13 22.917 -2.667 7.349 385 HE1 PHE 13 HE1 PHE 13 22.530 -3.064 12.278 386 HE2 PHE 13 HE2 PHE 13 24.078 -4.507 8.540 387 HZ PHE 13 HZ PHE 13 23.884 -4.706 11.005 388 H ILE 14 HN ILE 14 22.278 0.168 5.708 389 HA ILE 14 HA ILE 14 24.597 -1.396 5.330 390 HB ILE 14 HB ILE 14 23.038 0.371 3.431 391 HG12 ILE 14 HG12 ILE 14 23.178 -2.649 3.634 392 HG13 ILE 14 HG11 ILE 14 21.965 -1.691 4.483 393 HG21 ILE 14 HG21 ILE 14 25.270 -1.612 2.884 394 HG22 ILE 14 HG22 ILE 14 25.312 0.122 2.565 395 HG23 ILE 14 HG23 ILE 14 24.229 -0.917 1.645 396 HD11 ILE 14 HD11 ILE 14 22.409 -1.778 1.485 397 HD12 ILE 14 HD12 ILE 14 21.262 -0.712 2.297 398 HD13 ILE 14 HD13 ILE 14 21.037 -2.460 2.360 399 H LEU 15 HN LEU 15 24.037 2.098 4.904 400 HA LEU 15 HA LEU 15 26.673 2.722 4.091 401 HB2 LEU 15 HB2 LEU 15 24.495 4.396 5.355 402 HB3 LEU 15 HB1 LEU 15 26.025 5.062 4.785 403 HG LEU 15 HG LEU 15 24.215 3.402 3.018 404 HD11 LEU 15 HD11 LEU 15 23.408 5.523 2.077 405 HD12 LEU 15 HD12 LEU 15 24.373 6.425 3.245 406 HD13 LEU 15 HD13 LEU 15 23.020 5.436 3.794 407 HD21 LEU 15 HD21 LEU 15 26.618 5.197 2.593 408 HD22 LEU 15 HD22 LEU 15 25.544 4.748 1.267 409 HD23 LEU 15 HD23 LEU 15 26.432 3.502 2.144 410 H SER 16 HN SER 16 25.231 2.178 7.195 411 HA SER 16 HA SER 16 27.219 3.491 8.766 412 HB2 SER 16 HB2 SER 16 25.018 3.037 9.695 413 HB3 SER 16 HB1 SER 16 25.252 1.304 9.478 414 HG SER 16 HG SER 16 26.399 3.073 11.318 415 H ALA 17 HN ALA 17 26.691 0.129 7.756 416 HA ALA 17 HA ALA 17 28.966 -0.908 9.134 417 HB1 ALA 17 HB1 ALA 17 28.552 -2.946 7.890 418 HB2 ALA 17 HB2 ALA 17 27.515 -2.084 6.754 419 HB3 ALA 17 HB3 ALA 17 27.010 -2.284 8.432 420 H LEU 18 HN LEU 18 28.439 0.521 5.980 421 HA LEU 18 HA LEU 18 30.963 -0.347 4.895 422 HB2 LEU 18 HB2 LEU 18 28.637 1.212 3.985 423 HB3 LEU 18 HB1 LEU 18 30.183 1.735 3.315 424 HG LEU 18 HG LEU 18 30.650 -0.669 2.719 425 HD11 LEU 18 HD11 LEU 18 28.773 -2.240 2.728 426 HD12 LEU 18 HD12 LEU 18 27.719 -1.008 3.421 427 HD13 LEU 18 HD13 LEU 18 29.061 -1.653 4.365 428 HD21 LEU 18 HD21 LEU 18 28.128 0.557 1.553 429 HD22 LEU 18 HD22 LEU 18 29.117 -0.678 0.776 430 HD23 LEU 18 HD23 LEU 18 29.776 0.934 1.054 431 H HIS 19 HN HIS 19 29.738 2.477 6.596 432 HA HIS 19 HA HIS 19 31.918 4.209 6.031 433 HB2 HIS 19 HB2 HIS 19 29.727 5.008 6.841 434 HB3 HIS 19 HB1 HIS 19 30.026 4.216 8.390 435 HD2 HIS 19 HD2 HIS 19 31.240 5.916 10.183 436 HE1 HIS 19 HE1 HIS 19 33.040 8.545 7.412 437 HE2 HIS 19 HE2 HIS 19 32.674 8.077 9.882 438 H PHE 20 HN PHE 20 31.145 2.070 8.775 439 HA PHE 20 HA PHE 20 33.577 2.645 10.186 440 HB2 PHE 20 HB2 PHE 20 31.245 0.928 10.540 441 HB3 PHE 20 HB1 PHE 20 32.741 0.171 11.085 442 HD1 PHE 20 HD1 PHE 20 30.727 3.310 11.354 443 HD2 PHE 20 HD2 PHE 20 33.757 0.823 13.110 444 HE1 PHE 20 HE1 PHE 20 30.710 4.726 13.393 445 HE2 PHE 20 HE2 PHE 20 33.739 2.234 15.147 446 HZ PHE 20 HZ PHE 20 32.226 4.191 15.301 447 H MET 21 HN MET 21 32.633 0.398 7.671 448 HA MET 21 HA MET 21 34.712 -1.493 7.944 449 HB2 MET 21 HB2 MET 21 32.855 -0.624 5.790 450 HB3 MET 21 HB1 MET 21 34.295 -1.511 5.286 451 HG2 MET 21 HG2 MET 21 32.576 -2.502 7.556 452 HG3 MET 21 HG1 MET 21 32.184 -2.891 5.880 453 HE1 MET 21 HE1 MET 21 33.128 -4.249 4.467 454 HE2 MET 21 HE2 MET 21 34.491 -5.348 4.655 455 HE3 MET 21 HE3 MET 21 34.782 -3.657 4.259 456 H ALA 22 HN ALA 22 34.497 1.352 5.772 457 HA ALA 22 HA ALA 22 37.162 1.171 4.824 458 HB1 ALA 22 HB1 ALA 22 36.769 3.203 3.760 459 HB2 ALA 22 HB2 ALA 22 35.718 3.787 5.050 460 HB3 ALA 22 HB3 ALA 22 35.139 2.552 3.933 461 H TRP 23 HN TRP 23 35.699 2.918 7.541 462 HA TRP 23 HA TRP 23 37.920 4.452 8.305 463 HB2 TRP 23 HB2 TRP 23 35.359 3.762 9.387 464 HB3 TRP 23 HB1 TRP 23 36.575 3.601 10.654 465 HD1 TRP 23 HD1 TRP 23 35.184 6.171 8.164 466 HE1 TRP 23 HE1 TRP 23 35.762 8.531 9.025 467 HE3 TRP 23 HE3 TRP 23 38.123 4.960 12.165 468 HZ2 TRP 23 HZ2 TRP 23 37.267 9.747 11.134 469 HZ3 TRP 23 HZ3 TRP 23 39.113 6.738 13.581 470 HH2 TRP 23 HH2 TRP 23 38.689 9.128 13.071 471 H THR 24 HN THR 24 36.925 1.199 9.376 472 HA THR 24 HA THR 24 38.973 0.693 11.183 473 HB THR 24 HB THR 24 37.622 -1.254 9.296 474 HG1 THR 24 HG1 THR 24 35.995 -0.753 10.510 475 HG21 THR 24 HG21 THR 24 39.625 -2.241 10.245 476 HG22 THR 24 HG22 THR 24 38.221 -2.912 11.077 477 HG23 THR 24 HG23 THR 24 39.193 -1.660 11.852 478 H ILE 25 HN ILE 25 38.873 0.106 7.669 479 HA ILE 25 HA ILE 25 41.474 -1.025 7.487 480 HB ILE 25 HB ILE 25 39.735 0.380 5.459 481 HG12 ILE 25 HG12 ILE 25 40.501 -2.540 5.712 482 HG13 ILE 25 HG11 ILE 25 39.055 -1.865 6.464 483 HG21 ILE 25 HG21 ILE 25 41.316 -0.720 3.801 484 HG22 ILE 25 HG22 ILE 25 42.417 -0.989 5.152 485 HG23 ILE 25 HG23 ILE 25 41.988 0.654 4.680 486 HD11 ILE 25 HD11 ILE 25 38.530 -2.845 4.259 487 HD12 ILE 25 HD12 ILE 25 39.703 -1.767 3.502 488 HD13 ILE 25 HD13 ILE 25 38.256 -1.103 4.259 489 H GLY 26 HN GLY 26 40.299 2.276 7.218 490 HA2 GLY 26 HA2 GLY 26 42.675 3.511 6.347 491 HA3 GLY 26 HA1 GLY 26 41.399 4.319 7.255 492 H HIS 27 HN HIS 27 41.434 3.003 9.646 493 HA HIS 27 HA HIS 27 43.601 4.209 10.992 494 HB2 HIS 27 HB2 HIS 27 41.326 3.577 11.952 495 HB3 HIS 27 HB1 HIS 27 41.946 1.931 12.074 496 HD2 HIS 27 HD2 HIS 27 42.112 5.236 14.039 497 HE1 HIS 27 HE1 HIS 27 45.092 2.727 15.667 498 HE2 HIS 27 HE2 HIS 27 43.811 4.895 15.993 499 H LEU 28 HN LEU 28 43.036 0.902 9.882 500 HA LEU 28 HA LEU 28 45.317 -0.246 11.136 501 HB2 LEU 28 HB2 LEU 28 43.328 -1.055 9.103 502 HB3 LEU 28 HB1 LEU 28 44.896 -1.851 8.975 503 HG LEU 28 HG LEU 28 43.188 -3.013 10.469 504 HD11 LEU 28 HD11 LEU 28 45.700 -3.316 10.569 505 HD12 LEU 28 HD12 LEU 28 44.860 -3.653 12.081 506 HD13 LEU 28 HD13 LEU 28 45.724 -2.133 11.875 507 HD21 LEU 28 HD21 LEU 28 42.509 -0.679 11.473 508 HD22 LEU 28 HD22 LEU 28 43.901 -0.909 12.524 509 HD23 LEU 28 HD23 LEU 28 42.580 -2.074 12.543 510 H ASN 29 HN ASN 29 44.800 1.284 8.018 511 HA ASN 29 HA ASN 29 46.296 2.110 6.487 512 HB2 ASN 29 HB2 ASN 29 47.579 2.362 8.990 513 HB3 ASN 29 HB1 ASN 29 48.781 1.701 7.883 514 HD21 ASN 29 HD21 ASN 29 47.307 4.599 8.890 515 HD22 ASN 29 HD22 ASN 29 47.784 5.574 7.586 516 H GLN 30 HN GLN 30 46.781 0.980 4.747 517 HA GLN 30 HA GLN 30 47.819 -1.744 5.011 518 HB2 GLN 30 HB2 GLN 30 47.411 -1.811 2.520 519 HB3 GLN 30 HB1 GLN 30 45.970 -1.543 3.501 520 HG2 GLN 30 HG2 GLN 30 47.393 0.920 2.731 521 HG3 GLN 30 HG1 GLN 30 46.704 0.027 1.376 522 HE21 GLN 30 HE21 GLN 30 44.809 1.210 0.928 523 HE22 GLN 30 HE22 GLN 30 43.603 1.538 2.074 524 H ILE 31 HN ILE 31 49.558 0.497 5.626 525 HA ILE 31 HA ILE 31 51.740 1.103 5.288 526 HB ILE 31 HB ILE 31 51.772 -1.205 3.318 527 HG12 ILE 31 HG12 ILE 31 52.654 -1.180 6.201 528 HG13 ILE 31 HG11 ILE 31 51.059 -1.737 5.696 529 HG21 ILE 31 HG21 ILE 31 54.154 -1.151 3.578 530 HG22 ILE 31 HG22 ILE 31 54.043 0.095 4.818 531 HG23 ILE 31 HG23 ILE 31 53.637 0.479 3.146 532 HD11 ILE 31 HD11 ILE 31 52.628 -3.628 5.870 533 HD12 ILE 31 HD12 ILE 31 53.700 -2.849 4.707 534 HD13 ILE 31 HD13 ILE 31 52.101 -3.397 4.202 535 H LYS 32 HN LYS 32 51.233 -0.073 1.979 536 HA LYS 32 HA LYS 32 50.681 2.517 0.923 537 HB2 LYS 32 HB2 LYS 32 53.401 1.808 1.317 538 HB3 LYS 32 HB1 LYS 32 53.091 1.700 -0.414 539 HG2 LYS 32 HG2 LYS 32 51.791 4.038 0.242 540 HG3 LYS 32 HG1 LYS 32 53.180 4.070 1.327 541 HD2 LYS 32 HD2 LYS 32 54.655 3.614 -0.635 542 HD3 LYS 32 HD1 LYS 32 53.238 3.728 -1.679 543 HE2 LYS 32 HE2 LYS 32 52.889 6.037 -0.458 544 HE3 LYS 32 HE1 LYS 32 54.613 5.888 -0.118 545 HZ1 LYS 32 HZ1 LYS 32 55.006 6.600 -2.161 546 HZ2 LYS 32 HZ2 LYS 32 53.348 6.626 -2.527 547 HZ3 LYS 32 HZ3 LYS 32 54.256 5.217 -2.797 548 H ARG 33 HN ARG 33 49.685 -0.272 0.879 549 HA ARG 33 HA ARG 33 48.777 -1.759 -0.621 550 HB2 ARG 33 HB2 ARG 33 47.793 0.377 -1.469 551 HB3 ARG 33 HB1 ARG 33 49.142 0.502 -2.597 552 HG2 ARG 33 HG2 ARG 33 48.511 -1.517 -3.716 553 HG3 ARG 33 HG1 ARG 33 47.339 -1.924 -2.462 554 HD2 ARG 33 HD2 ARG 33 46.045 0.122 -3.056 555 HD3 ARG 33 HD1 ARG 33 47.187 0.441 -4.355 556 HE ARG 33 HE ARG 33 45.109 -1.587 -4.335 557 HH11 ARG 33 HH11 ARG 33 48.133 -0.506 -5.707 558 HH12 ARG 33 HH12 ARG 33 47.913 -1.384 -7.175 559 HH21 ARG 33 HH21 ARG 33 44.856 -2.735 -6.273 560 HH22 ARG 33 HH22 ARG 33 46.076 -2.642 -7.498 561 H1 MET 1 HT1 MET 1 1.139 2.037 22.877 562 H2 MET 1 HT2 MET 1 0.317 2.626 21.513 563 H3 MET 1 HT3 MET 1 -0.210 3.046 23.073 564 HA MET 1 HA MET 1 1.182 4.723 21.690 565 HB2 MET 1 HB2 MET 1 1.986 5.681 23.765 566 HB3 MET 1 HB1 MET 1 0.422 4.929 24.082 567 HG2 MET 1 HG2 MET 1 1.716 2.842 24.786 568 HG3 MET 1 HG1 MET 1 3.165 3.846 24.750 569 HE1 MET 1 HE1 MET 1 1.874 3.119 28.486 570 HE2 MET 1 HE2 MET 1 3.323 3.016 27.487 571 HE3 MET 1 HE3 MET 1 1.867 2.147 27.007 572 H PHE 2 HN PHE 2 2.287 1.960 21.225 573 HA PHE 2 HA PHE 2 5.071 2.118 21.986 574 HB2 PHE 2 HB2 PHE 2 3.930 -0.058 21.788 575 HB3 PHE 2 HB1 PHE 2 3.662 0.242 20.072 576 HD1 PHE 2 HD1 PHE 2 6.380 0.034 22.635 577 HD2 PHE 2 HD2 PHE 2 5.302 -0.352 18.495 578 HE1 PHE 2 HE1 PHE 2 8.643 -0.846 22.128 579 HE2 PHE 2 HE2 PHE 2 7.565 -1.232 17.989 580 HZ PHE 2 HZ PHE 2 9.234 -1.479 19.806 581 H GLU 3 HN GLU 3 6.691 2.984 20.849 582 HA GLU 3 HA GLU 3 6.041 4.116 18.241 583 HB2 GLU 3 HB2 GLU 3 8.279 4.748 20.141 584 HB3 GLU 3 HB1 GLU 3 8.081 5.487 18.551 585 HG2 GLU 3 HG2 GLU 3 5.805 6.244 19.220 586 HG3 GLU 3 HG1 GLU 3 6.086 5.584 20.830 587 HA PRO 4 HA PRO 4 8.652 0.757 16.676 588 HB2 PRO 4 HB2 PRO 4 8.148 1.188 14.034 589 HB3 PRO 4 HB1 PRO 4 7.008 0.363 15.111 590 HG2 PRO 4 HG2 PRO 4 6.972 3.152 14.091 591 HG3 PRO 4 HG1 PRO 4 5.628 2.042 14.402 592 HD2 PRO 4 HD2 PRO 4 6.385 4.090 16.089 593 HD3 PRO 4 HD1 PRO 4 5.470 2.656 16.596 594 H PHE 5 HN PHE 5 8.687 4.039 15.310 595 HA PHE 5 HA PHE 5 11.234 3.827 14.061 596 HB2 PHE 5 HB2 PHE 5 11.010 6.083 13.558 597 HB3 PHE 5 HB1 PHE 5 9.327 5.588 13.744 598 HD1 PHE 5 HD1 PHE 5 11.995 7.675 15.024 599 HD2 PHE 5 HD2 PHE 5 8.162 5.978 15.959 600 HE1 PHE 5 HE1 PHE 5 11.716 9.317 16.862 601 HE2 PHE 5 HE2 PHE 5 7.883 7.620 17.796 602 HZ PHE 5 HZ PHE 5 9.664 9.278 18.251 603 H GLN 6 HN GLN 6 10.405 3.863 17.318 604 HA GLN 6 HA GLN 6 12.396 5.483 18.452 605 HB2 GLN 6 HB2 GLN 6 10.379 4.478 19.616 606 HB3 GLN 6 HB1 GLN 6 11.267 2.953 19.659 607 HG2 GLN 6 HG2 GLN 6 12.008 3.781 21.661 608 HG3 GLN 6 HG1 GLN 6 13.171 4.607 20.626 609 HE21 GLN 6 HE21 GLN 6 13.368 6.595 21.765 610 HE22 GLN 6 HE22 GLN 6 12.061 7.640 22.047 611 H ILE 7 HN ILE 7 12.423 2.203 17.190 612 HA ILE 7 HA ILE 7 14.854 1.349 18.374 613 HB ILE 7 HB ILE 7 14.795 -0.444 16.785 614 HG12 ILE 7 HG12 ILE 7 12.949 1.363 15.199 615 HG13 ILE 7 HG11 ILE 7 14.548 0.810 14.723 616 HG21 ILE 7 HG21 ILE 7 12.597 -1.300 17.143 617 HG22 ILE 7 HG22 ILE 7 11.895 0.318 17.190 618 HG23 ILE 7 HG23 ILE 7 12.916 -0.239 18.515 619 HD11 ILE 7 HD11 ILE 7 12.018 -0.811 14.967 620 HD12 ILE 7 HD12 ILE 7 13.608 -1.573 14.925 621 HD13 ILE 7 HD13 ILE 7 13.054 -0.609 13.556 622 H LEU 8 HN LEU 8 14.114 3.205 15.458 623 HA LEU 8 HA LEU 8 16.771 3.077 14.405 624 HB2 LEU 8 HB2 LEU 8 14.698 3.458 13.033 625 HB3 LEU 8 HB1 LEU 8 14.590 5.067 13.747 626 HG LEU 8 HG LEU 8 16.978 5.446 12.946 627 HD11 LEU 8 HD11 LEU 8 17.585 3.960 10.965 628 HD12 LEU 8 HD12 LEU 8 16.328 2.857 11.521 629 HD13 LEU 8 HD13 LEU 8 17.717 3.202 12.551 630 HD21 LEU 8 HD21 LEU 8 15.093 6.451 11.776 631 HD22 LEU 8 HD22 LEU 8 14.775 4.941 10.922 632 HD23 LEU 8 HD23 LEU 8 16.246 5.852 10.583 633 H SER 9 HN SER 9 14.986 5.212 16.512 634 HA SER 9 HA SER 9 16.904 7.359 16.439 635 HB2 SER 9 HB2 SER 9 14.564 7.782 17.021 636 HB3 SER 9 HB1 SER 9 14.722 6.757 18.443 637 HG SER 9 HG SER 9 15.078 8.832 19.110 638 H ILE 10 HN ILE 10 16.197 4.693 18.664 639 HA ILE 10 HA ILE 10 18.139 5.371 20.602 640 HB ILE 10 HB ILE 10 16.768 2.771 19.914 641 HG12 ILE 10 HG12 ILE 10 15.568 4.817 20.972 642 HG13 ILE 10 HG11 ILE 10 15.383 3.256 21.772 643 HG21 ILE 10 HG21 ILE 10 18.828 3.403 22.048 644 HG22 ILE 10 HG22 ILE 10 18.826 2.076 20.892 645 HG23 ILE 10 HG23 ILE 10 17.673 2.081 22.224 646 HD11 ILE 10 HD11 ILE 10 16.022 5.372 23.204 647 HD12 ILE 10 HD12 ILE 10 17.647 5.070 22.596 648 HD13 ILE 10 HD13 ILE 10 16.809 3.830 23.527 649 H CYS 11 HN CYS 11 18.219 3.258 17.742 650 HA CYS 11 HA CYS 11 20.816 2.227 18.187 651 HB2 CYS 11 HB2 CYS 11 19.129 2.565 15.709 652 HB3 CYS 11 HB1 CYS 11 20.722 1.808 15.672 653 HG CYS 11 HG CYS 11 19.748 0.057 17.472 654 H SER 12 HN SER 12 19.691 4.914 16.094 655 HA SER 12 HA SER 12 22.210 5.689 15.160 656 HB2 SER 12 HB2 SER 12 21.140 7.830 14.631 657 HB3 SER 12 HB1 SER 12 20.063 6.496 14.231 658 HG SER 12 HG SER 12 19.457 8.503 15.698 659 H PHE 13 HN PHE 13 20.438 6.613 18.088 660 HA PHE 13 HA PHE 13 22.156 8.657 18.963 661 HB2 PHE 13 HB2 PHE 13 19.903 8.171 19.915 662 HB3 PHE 13 HB1 PHE 13 20.574 6.730 20.679 663 HD1 PHE 13 HD1 PHE 13 20.381 10.380 20.754 664 HD2 PHE 13 HD2 PHE 13 22.313 6.935 22.443 665 HE1 PHE 13 HE1 PHE 13 21.200 11.766 22.642 666 HE2 PHE 13 HE2 PHE 13 23.130 8.320 24.332 667 HZ PHE 13 HZ PHE 13 22.573 10.736 24.431 668 H ILE 14 HN ILE 14 22.175 5.155 19.607 669 HA ILE 14 HA ILE 14 24.375 5.159 21.378 670 HB ILE 14 HB ILE 14 23.271 3.015 19.553 671 HG12 ILE 14 HG12 ILE 14 23.107 3.300 22.564 672 HG13 ILE 14 HG11 ILE 14 21.876 3.943 21.479 673 HG21 ILE 14 HG21 ILE 14 25.373 2.850 21.735 674 HG22 ILE 14 HG22 ILE 14 25.612 2.499 20.023 675 HG23 ILE 14 HG23 ILE 14 24.587 1.453 21.002 676 HD11 ILE 14 HD11 ILE 14 22.735 1.045 21.707 677 HD12 ILE 14 HD12 ILE 14 21.588 1.656 20.515 678 HD13 ILE 14 HD13 ILE 14 21.195 1.726 22.233 679 H LEU 15 HN LEU 15 24.186 4.585 17.858 680 HA LEU 15 HA LEU 15 26.954 4.156 17.486 681 HB2 LEU 15 HB2 LEU 15 24.766 5.047 15.597 682 HB3 LEU 15 HB1 LEU 15 26.414 4.695 15.078 683 HG LEU 15 HG LEU 15 24.746 2.716 16.645 684 HD11 LEU 15 HD11 LEU 15 24.262 1.620 14.503 685 HD12 LEU 15 HD12 LEU 15 25.129 2.889 13.639 686 HD13 LEU 15 HD13 LEU 15 23.633 3.267 14.492 687 HD21 LEU 15 HD21 LEU 15 27.333 2.615 15.069 688 HD22 LEU 15 HD22 LEU 15 26.429 1.153 15.468 689 HD23 LEU 15 HD23 LEU 15 27.065 2.176 16.755 690 H SER 16 HN SER 16 25.035 7.024 17.816 691 HA SER 16 HA SER 16 26.877 8.844 16.615 692 HB2 SER 16 HB2 SER 16 24.527 9.439 16.867 693 HB3 SER 16 HB1 SER 16 24.655 9.306 18.619 694 HG SER 16 HG SER 16 25.666 11.245 16.869 695 H ALA 17 HN ALA 17 26.226 7.823 19.954 696 HA ALA 17 HA ALA 17 28.181 9.550 21.125 697 HB1 ALA 17 HB1 ALA 17 27.772 8.310 23.164 698 HB2 ALA 17 HB2 ALA 17 26.992 7.011 22.263 699 HB3 ALA 17 HB3 ALA 17 26.232 8.599 22.359 700 H LEU 18 HN LEU 18 28.237 6.325 19.753 701 HA LEU 18 HA LEU 18 30.803 5.637 20.867 702 HB2 LEU 18 HB2 LEU 18 28.774 4.365 19.159 703 HB3 LEU 18 HB1 LEU 18 30.438 3.917 18.783 704 HG LEU 18 HG LEU 18 30.785 3.446 21.235 705 HD11 LEU 18 HD11 LEU 18 28.804 3.215 22.653 706 HD12 LEU 18 HD12 LEU 18 27.764 3.715 21.318 707 HD13 LEU 18 HD13 LEU 18 28.897 4.863 22.032 708 HD21 LEU 18 HD21 LEU 18 28.570 1.899 19.847 709 HD22 LEU 18 HD22 LEU 18 29.550 1.301 21.185 710 HD23 LEU 18 HD23 LEU 18 30.300 1.638 19.626 711 H HIS 19 HN HIS 19 29.590 7.072 17.897 712 HA HIS 19 HA HIS 19 31.971 6.805 16.369 713 HB2 HIS 19 HB2 HIS 19 29.762 7.270 15.368 714 HB3 HIS 19 HB1 HIS 19 29.766 8.861 16.130 715 HD2 HIS 19 HD2 HIS 19 30.844 10.775 14.471 716 HE1 HIS 19 HE1 HIS 19 33.255 8.247 12.100 717 HE2 HIS 19 HE2 HIS 19 32.489 10.643 12.448 718 H PHE 20 HN PHE 20 30.630 9.447 18.346 719 HA PHE 20 HA PHE 20 32.873 11.190 17.931 720 HB2 PHE 20 HB2 PHE 20 30.375 11.227 19.442 721 HB3 PHE 20 HB1 PHE 20 31.708 12.004 20.297 722 HD1 PHE 20 HD1 PHE 20 29.953 11.903 16.998 723 HD2 PHE 20 HD2 PHE 20 32.460 14.146 19.668 724 HE1 PHE 20 HE1 PHE 20 29.751 13.885 15.523 725 HE2 PHE 20 HE2 PHE 20 32.258 16.129 18.192 726 HZ PHE 20 HZ PHE 20 30.897 15.996 16.120 727 H MET 21 HN MET 21 32.116 8.598 20.162 728 HA MET 21 HA MET 21 33.957 9.211 22.217 729 HB2 MET 21 HB2 MET 21 32.514 6.794 21.260 730 HB3 MET 21 HB1 MET 21 33.930 6.524 22.279 731 HG2 MET 21 HG2 MET 21 31.816 8.533 23.052 732 HG3 MET 21 HG1 MET 21 31.649 6.828 23.468 733 HE1 MET 21 HE1 MET 21 32.669 5.613 24.963 734 HE2 MET 21 HE2 MET 21 33.907 6.030 26.146 735 HE3 MET 21 HE3 MET 21 34.374 5.637 24.493 736 H ALA 22 HN ALA 22 34.313 6.983 19.425 737 HA ALA 22 HA ALA 22 37.059 6.443 19.868 738 HB1 ALA 22 HB1 ALA 22 37.004 5.294 17.842 739 HB2 ALA 22 HB2 ALA 22 35.826 6.399 17.135 740 HB3 ALA 22 HB3 ALA 22 35.318 5.231 18.354 741 H TRP 23 HN TRP 23 35.372 8.877 17.916 742 HA TRP 23 HA TRP 23 37.583 9.931 16.548 743 HB2 TRP 23 HB2 TRP 23 34.841 10.636 16.985 744 HB3 TRP 23 HB1 TRP 23 35.841 12.072 17.206 745 HD1 TRP 23 HD1 TRP 23 35.055 9.350 14.616 746 HE1 TRP 23 HE1 TRP 23 35.702 10.236 12.282 747 HE3 TRP 23 HE3 TRP 23 37.267 13.764 15.926 748 HZ2 TRP 23 HZ2 TRP 23 36.986 12.516 11.124 749 HZ3 TRP 23 HZ3 TRP 23 38.189 15.276 14.195 750 HH2 TRP 23 HH2 TRP 23 38.054 14.655 11.793 751 H THR 24 HN THR 24 36.170 10.898 19.675 752 HA THR 24 HA THR 24 37.882 13.004 20.282 753 HB THR 24 HB THR 24 36.659 10.979 22.176 754 HG1 THR 24 HG1 THR 24 34.921 11.923 21.497 755 HG21 THR 24 HG21 THR 24 38.408 12.241 23.289 756 HG22 THR 24 HG22 THR 24 36.846 12.868 23.813 757 HG23 THR 24 HG23 THR 24 37.796 13.753 22.619 758 H ILE 25 HN ILE 25 38.247 9.517 20.960 759 HA ILE 25 HA ILE 25 40.733 9.749 22.317 760 HB ILE 25 HB ILE 25 39.431 7.460 20.842 761 HG12 ILE 25 HG12 ILE 25 39.905 7.880 23.804 762 HG13 ILE 25 HG11 ILE 25 38.429 8.402 22.991 763 HG21 ILE 25 HG21 ILE 25 41.136 6.069 22.108 764 HG22 ILE 25 HG22 ILE 25 42.003 7.571 22.436 765 HG23 ILE 25 HG23 ILE 25 41.792 7.018 20.774 766 HD11 ILE 25 HD11 ILE 25 38.140 6.165 23.995 767 HD12 ILE 25 HD12 ILE 25 39.501 5.565 23.048 768 HD13 ILE 25 HD13 ILE 25 38.026 6.087 22.237 769 H GLY 26 HN GLY 26 39.906 9.235 18.937 770 HA2 GLY 26 HA2 GLY 26 42.482 8.702 17.939 771 HA3 GLY 26 HA1 GLY 26 41.163 9.392 16.996 772 H HIS 27 HN HIS 27 40.731 11.790 18.220 773 HA HIS 27 HA HIS 27 42.774 13.418 17.158 774 HB2 HIS 27 HB2 HIS 27 40.341 14.046 17.556 775 HB3 HIS 27 HB1 HIS 27 40.779 14.289 19.246 776 HD2 HIS 27 HD2 HIS 27 40.957 16.200 15.914 777 HE1 HIS 27 HE1 HIS 27 43.435 18.288 18.619 778 HE2 HIS 27 HE2 HIS 27 42.317 18.387 16.341 779 H LEU 28 HN LEU 28 42.097 12.293 20.437 780 HA LEU 28 HA LEU 28 44.059 13.903 21.728 781 HB2 LEU 28 HB2 LEU 28 42.323 11.619 22.440 782 HB3 LEU 28 HB1 LEU 28 43.819 11.740 23.366 783 HG LEU 28 HG LEU 28 41.821 12.993 24.332 784 HD11 LEU 28 HD11 LEU 28 44.247 13.464 24.851 785 HD12 LEU 28 HD12 LEU 28 43.182 14.857 25.041 786 HD13 LEU 28 HD13 LEU 28 44.206 14.721 23.615 787 HD21 LEU 28 HD21 LEU 28 41.212 13.838 21.917 788 HD22 LEU 28 HD22 LEU 28 42.410 15.087 22.230 789 HD23 LEU 28 HD23 LEU 28 41.001 14.934 23.278 790 H ASN 29 HN ASN 29 44.133 10.709 20.274 791 HA ASN 29 HA ASN 29 45.901 9.397 19.624 792 HB2 ASN 29 HB2 ASN 29 46.823 12.055 19.398 793 HB3 ASN 29 HB1 ASN 29 48.113 11.150 20.186 794 HD21 ASN 29 HD21 ASN 29 46.783 11.889 17.151 795 HD22 ASN 29 HD22 ASN 29 47.513 10.644 16.257 796 H GLN 30 HN GLN 30 46.536 7.772 20.844 797 HA GLN 30 HA GLN 30 47.285 8.238 23.634 798 HB2 GLN 30 HB2 GLN 30 47.243 5.713 23.744 799 HB3 GLN 30 HB1 GLN 30 45.702 6.467 23.334 800 HG2 GLN 30 HG2 GLN 30 47.422 5.869 21.015 801 HG3 GLN 30 HG1 GLN 30 46.860 4.446 21.889 802 HE21 GLN 30 HE21 GLN 30 45.157 3.711 20.562 803 HE22 GLN 30 HE22 GLN 30 43.831 4.667 20.107 804 H ILE 31 HN ILE 31 49.101 9.058 21.523 805 HA ILE 31 HA ILE 31 51.352 9.034 21.109 806 HB ILE 31 HB ILE 31 51.477 7.135 23.473 807 HG12 ILE 31 HG12 ILE 31 51.935 10.115 23.429 808 HG13 ILE 31 HG11 ILE 31 50.387 9.396 23.866 809 HG21 ILE 31 HG21 ILE 31 53.792 7.734 23.597 810 HG22 ILE 31 HG22 ILE 31 53.609 8.930 22.317 811 HG23 ILE 31 HG23 ILE 31 53.480 7.213 21.942 812 HD11 ILE 31 HD11 ILE 31 51.749 9.831 25.874 813 HD12 ILE 31 HD12 ILE 31 53.034 8.815 25.223 814 HD13 ILE 31 HD13 ILE 31 51.479 8.102 25.655 815 H LYS 32 HN LYS 32 51.233 5.710 22.345 816 HA LYS 32 HA LYS 32 51.059 4.533 19.753 817 HB2 LYS 32 HB2 LYS 32 53.621 5.336 20.667 818 HB3 LYS 32 HB1 LYS 32 53.556 3.580 20.810 819 HG2 LYS 32 HG2 LYS 32 52.381 3.984 18.352 820 HG3 LYS 32 HG1 LYS 32 53.596 5.264 18.397 821 HD2 LYS 32 HD2 LYS 32 55.296 3.550 19.041 822 HD3 LYS 32 HD1 LYS 32 54.060 2.306 18.844 823 HE2 LYS 32 HE2 LYS 32 53.741 3.416 16.475 824 HE3 LYS 32 HE1 LYS 32 55.378 4.008 16.755 825 HZ1 LYS 32 HZ1 LYS 32 56.120 2.029 16.141 826 HZ2 LYS 32 HZ2 LYS 32 54.541 1.423 15.999 827 HZ3 LYS 32 HZ3 LYS 32 55.360 1.321 17.483 828 H ARG 33 HN ARG 33 49.846 4.400 22.454 829 HA ARG 33 HA ARG 33 49.036 2.814 23.907 830 HB2 ARG 33 HB2 ARG 33 48.382 1.782 21.723 831 HB3 ARG 33 HB1 ARG 33 49.885 0.860 21.757 832 HG2 ARG 33 HG2 ARG 33 49.241 -0.293 23.751 833 HG3 ARG 33 HG1 ARG 33 47.872 0.789 24.015 834 HD2 ARG 33 HD2 ARG 33 46.856 -0.028 21.893 835 HD3 ARG 33 HD1 ARG 33 48.194 -1.154 21.708 836 HE ARG 33 HE ARG 33 45.971 -1.399 23.559 837 HH11 ARG 33 HH11 ARG 33 49.243 -2.332 22.773 838 HH12 ARG 33 HH12 ARG 33 49.165 -3.799 23.676 839 HH21 ARG 33 HH21 ARG 33 45.905 -3.332 24.744 840 HH22 ARG 33 HH22 ARG 33 47.294 -4.366 24.788 841 H1 MET 1 HT1 MET 1 -1.272 17.975 15.933 842 H2 MET 1 HT2 MET 1 -1.811 16.516 15.249 843 H3 MET 1 HT3 MET 1 -2.559 17.983 14.828 844 HA MET 1 HA MET 1 -0.840 16.912 13.228 845 HB2 MET 1 HB2 MET 1 -0.317 19.131 12.394 846 HB3 MET 1 HB1 MET 1 -1.966 19.152 13.021 847 HG2 MET 1 HG2 MET 1 -0.979 19.979 15.225 848 HG3 MET 1 HG1 MET 1 0.533 20.220 14.350 849 HE1 MET 1 HE1 MET 1 -1.403 23.666 15.056 850 HE2 MET 1 HE2 MET 1 0.181 22.917 15.242 851 HE3 MET 1 HE3 MET 1 -1.232 22.171 15.986 852 H PHE 2 HN PHE 2 0.126 16.512 16.046 853 HA PHE 2 HA PHE 2 2.747 17.729 16.131 854 HB2 PHE 2 HB2 PHE 2 1.499 17.262 18.203 855 HB3 PHE 2 HB1 PHE 2 1.544 15.537 17.836 856 HD1 PHE 2 HD1 PHE 2 3.773 18.501 18.334 857 HD2 PHE 2 HD2 PHE 2 3.376 14.228 18.512 858 HE1 PHE 2 HE1 PHE 2 6.017 18.336 19.376 859 HE2 PHE 2 HE2 PHE 2 5.621 14.063 19.554 860 HZ PHE 2 HZ PHE 2 6.941 16.117 19.987 861 H GLU 3 HN GLU 3 4.590 16.917 15.354 862 HA GLU 3 HA GLU 3 4.475 14.286 14.109 863 HB2 GLU 3 HB2 GLU 3 6.403 16.554 13.712 864 HB3 GLU 3 HB1 GLU 3 6.532 14.984 12.918 865 HG2 GLU 3 HG2 GLU 3 4.236 15.295 11.998 866 HG3 GLU 3 HG1 GLU 3 4.195 16.903 12.718 867 HA PRO 4 HA PRO 4 7.051 13.038 17.621 868 HB2 PRO 4 HB2 PRO 4 7.036 10.368 17.078 869 HB3 PRO 4 HB1 PRO 4 5.673 11.208 17.842 870 HG2 PRO 4 HG2 PRO 4 6.009 10.309 15.033 871 HG3 PRO 4 HG1 PRO 4 4.554 10.352 16.044 872 HD2 PRO 4 HD2 PRO 4 5.165 12.224 14.106 873 HD3 PRO 4 HD1 PRO 4 4.077 12.511 15.479 874 H PHE 5 HN PHE 5 7.559 11.821 14.319 875 HA PHE 5 HA PHE 5 10.254 11.004 14.692 876 HB2 PHE 5 HB2 PHE 5 10.283 10.568 12.411 877 HB3 PHE 5 HB1 PHE 5 8.560 10.457 12.776 878 HD1 PHE 5 HD1 PHE 5 11.127 12.246 10.951 879 HD2 PHE 5 HD2 PHE 5 7.075 12.465 12.360 880 HE1 PHE 5 HE1 PHE 5 10.670 14.082 9.348 881 HE2 PHE 5 HE2 PHE 5 6.619 14.300 10.756 882 HZ PHE 5 HZ PHE 5 8.415 15.108 9.251 883 H GLN 6 HN GLN 6 8.894 14.083 14.677 884 HA GLN 6 HA GLN 6 10.784 15.594 13.258 885 HB2 GLN 6 HB2 GLN 6 8.532 16.366 14.139 886 HB3 GLN 6 HB1 GLN 6 9.290 16.490 15.727 887 HG2 GLN 6 HG2 GLN 6 9.737 18.622 15.016 888 HG3 GLN 6 HG1 GLN 6 11.117 17.828 14.259 889 HE21 GLN 6 HE21 GLN 6 11.269 19.063 12.324 890 HE22 GLN 6 HE22 GLN 6 10.015 19.165 11.185 891 H ILE 7 HN ILE 7 10.773 14.231 16.493 892 HA ILE 7 HA ILE 7 12.908 15.745 17.573 893 HB ILE 7 HB ILE 7 12.981 14.096 19.308 894 HG12 ILE 7 HG12 ILE 7 11.568 12.303 17.315 895 HG13 ILE 7 HG11 ILE 7 13.180 12.076 17.977 896 HG21 ILE 7 HG21 ILE 7 10.700 14.051 19.996 897 HG22 ILE 7 HG22 ILE 7 10.117 14.041 18.330 898 HG23 ILE 7 HG23 ILE 7 10.856 15.497 18.999 899 HD11 ILE 7 HD11 ILE 7 10.532 11.824 19.398 900 HD12 ILE 7 HD12 ILE 7 12.044 12.022 20.285 901 HD13 ILE 7 HD13 ILE 7 11.808 10.620 19.242 902 H LEU 8 HN LEU 8 12.804 12.831 15.578 903 HA LEU 8 HA LEU 8 15.582 12.221 15.885 904 HB2 LEU 8 HB2 LEU 8 13.801 10.547 15.303 905 HB3 LEU 8 HB1 LEU 8 13.695 11.300 13.710 906 HG LEU 8 HG LEU 8 16.204 10.917 13.497 907 HD11 LEU 8 HD11 LEU 8 17.021 9.003 14.976 908 HD12 LEU 8 HD12 LEU 8 15.613 9.309 15.992 909 HD13 LEU 8 HD13 LEU 8 16.836 10.560 15.780 910 HD21 LEU 8 HD21 LEU 8 14.617 9.493 12.319 911 HD22 LEU 8 HD22 LEU 8 14.340 8.539 13.776 912 HD23 LEU 8 HD23 LEU 8 15.908 8.486 12.972 913 H SER 9 HN SER 9 13.636 14.097 13.676 914 HA SER 9 HA SER 9 15.694 14.426 11.689 915 HB2 SER 9 HB2 SER 9 13.317 14.638 11.111 916 HB3 SER 9 HB1 SER 9 13.181 16.039 12.173 917 HG SER 9 HG SER 9 13.573 16.820 10.148 918 H ILE 10 HN ILE 10 14.421 16.406 14.342 919 HA ILE 10 HA ILE 10 16.066 18.654 13.886 920 HB ILE 10 HB ILE 10 14.640 17.642 16.348 921 HG12 ILE 10 HG12 ILE 10 13.438 18.579 14.243 922 HG13 ILE 10 HG11 ILE 10 13.003 19.266 15.809 923 HG21 ILE 10 HG21 ILE 10 16.362 20.105 15.947 924 HG22 ILE 10 HG22 ILE 10 16.448 18.911 17.237 925 HG23 ILE 10 HG23 ILE 10 15.095 20.038 17.176 926 HD11 ILE 10 HD11 ILE 10 13.553 20.877 13.802 927 HD12 ILE 10 HD12 ILE 10 15.230 20.532 14.217 928 HD13 ILE 10 HD13 ILE 10 14.155 21.256 15.412 929 H CYS 11 HN CYS 11 16.460 15.772 15.924 930 HA CYS 11 HA CYS 11 18.869 16.585 17.164 931 HB2 CYS 11 HB2 CYS 11 17.655 13.878 16.618 932 HB3 CYS 11 HB1 CYS 11 19.168 14.077 17.502 933 HG CYS 11 HG CYS 11 17.775 15.601 19.225 934 H SER 12 HN SER 12 18.306 14.453 14.341 935 HA SER 12 HA SER 12 20.997 13.971 13.733 936 HB2 SER 12 HB2 SER 12 20.187 13.368 11.500 937 HB3 SER 12 HB1 SER 12 19.102 12.736 12.734 938 HG SER 12 HG SER 12 18.402 14.172 10.734 939 H PHE 13 HN PHE 13 18.833 16.606 12.751 940 HA PHE 13 HA PHE 13 20.529 17.834 10.881 941 HB2 PHE 13 HB2 PHE 13 18.117 18.389 11.229 942 HB3 PHE 13 HB1 PHE 13 18.558 19.192 12.736 943 HD1 PHE 13 HD1 PHE 13 18.609 19.378 9.084 944 HD2 PHE 13 HD2 PHE 13 19.984 21.224 12.710 945 HE1 PHE 13 HE1 PHE 13 19.201 21.427 7.816 946 HE2 PHE 13 HE2 PHE 13 20.574 23.273 11.443 947 HZ PHE 13 HZ PHE 13 20.182 23.374 8.997 948 H ILE 14 HN ILE 14 20.178 18.337 14.389 949 HA ILE 14 HA ILE 14 22.057 20.430 14.615 950 HB ILE 14 HB ILE 14 21.115 18.360 16.612 951 HG12 ILE 14 HG12 ILE 14 20.473 21.314 16.398 952 HG13 ILE 14 HG11 ILE 14 19.489 20.068 15.635 953 HG21 ILE 14 HG21 ILE 14 22.792 20.859 17.018 954 HG22 ILE 14 HG22 ILE 14 23.310 19.199 17.314 955 HG23 ILE 14 HG23 ILE 14 22.058 19.924 18.317 956 HD11 ILE 14 HD11 ILE 14 20.090 20.317 18.596 957 HD12 ILE 14 HD12 ILE 14 19.202 18.981 17.864 958 HD13 ILE 14 HD13 ILE 14 18.538 20.613 17.815 959 H LEU 15 HN LEU 15 22.406 16.919 15.074 960 HA LEU 15 HA LEU 15 25.163 16.972 15.709 961 HB2 LEU 15 HB2 LEU 15 23.391 14.793 14.593 962 HB3 LEU 15 HB1 LEU 15 25.071 14.535 15.059 963 HG LEU 15 HG LEU 15 23.022 15.721 16.943 964 HD11 LEU 15 HD11 LEU 15 22.821 13.489 17.933 965 HD12 LEU 15 HD12 LEU 15 23.928 12.832 16.727 966 HD13 LEU 15 HD13 LEU 15 22.342 13.432 16.237 967 HD21 LEU 15 HD21 LEU 15 25.823 14.594 17.208 968 HD22 LEU 15 HD22 LEU 15 24.759 14.784 18.602 969 HD23 LEU 15 HD23 LEU 15 25.245 16.197 17.666 970 H SER 16 HN SER 16 23.435 17.112 12.710 971 HA SER 16 HA SER 16 25.580 16.302 11.009 972 HB2 SER 16 HB2 SER 16 23.280 16.184 10.232 973 HB3 SER 16 HB1 SER 16 23.094 17.925 10.432 974 HG SER 16 HG SER 16 24.503 16.460 8.515 975 H ALA 17 HN ALA 17 24.307 19.443 12.058 976 HA ALA 17 HA ALA 17 26.160 20.988 10.532 977 HB1 ALA 17 HB1 ALA 17 25.333 22.880 11.798 978 HB2 ALA 17 HB2 ALA 17 24.618 21.809 13.003 979 HB3 ALA 17 HB3 ALA 17 23.971 21.849 11.363 980 H LEU 18 HN LEU 18 26.200 19.527 13.713 981 HA LEU 18 HA LEU 18 28.496 21.005 14.633 982 HB2 LEU 18 HB2 LEU 18 26.693 18.932 15.691 983 HB3 LEU 18 HB1 LEU 18 28.358 18.818 16.259 984 HG LEU 18 HG LEU 18 28.251 21.272 16.826 985 HD11 LEU 18 HD11 LEU 18 26.055 22.337 16.933 986 HD12 LEU 18 HD12 LEU 18 25.285 20.869 16.332 987 HD13 LEU 18 HD13 LEU 18 26.359 21.796 15.283 988 HD21 LEU 18 HD21 LEU 18 26.192 19.479 18.153 989 HD22 LEU 18 HD22 LEU 18 26.895 20.931 18.866 990 HD23 LEU 18 HD23 LEU 18 27.911 19.525 18.540 991 H HIS 19 HN HIS 19 27.902 17.940 13.016 992 HA HIS 19 HA HIS 19 30.477 16.812 13.430 993 HB2 HIS 19 HB2 HIS 19 28.503 15.485 12.764 994 HB3 HIS 19 HB1 HIS 19 28.504 16.299 11.199 995 HD2 HIS 19 HD2 HIS 19 29.976 14.904 9.338 996 HE1 HIS 19 HE1 HIS 19 32.553 12.874 11.992 997 HE2 HIS 19 HE2 HIS 19 31.921 13.175 9.552 998 H PHE 20 HN PHE 20 29.023 18.658 10.751 999 HA PHE 20 HA PHE 20 31.425 18.680 9.180 1000 HB2 PHE 20 HB2 PHE 20 28.721 19.759 8.984 1001 HB3 PHE 20 HB1 PHE 20 29.944 20.857 8.344 1002 HD1 PHE 20 HD1 PHE 20 28.771 17.310 8.203 1003 HD2 PHE 20 HD2 PHE 20 30.948 20.454 6.252 1004 HE1 PHE 20 HE1 PHE 20 28.975 15.905 6.167 1005 HE2 PHE 20 HE2 PHE 20 31.153 19.054 4.217 1006 HZ PHE 20 HZ PHE 20 30.179 16.781 4.168 1007 H MET 21 HN MET 21 30.117 20.657 11.753 1008 HA MET 21 HA MET 21 31.638 23.002 11.352 1009 HB2 MET 21 HB2 MET 21 30.199 21.729 13.623 1010 HB3 MET 21 HB1 MET 21 31.399 22.957 14.031 1011 HG2 MET 21 HG2 MET 21 29.341 23.446 11.884 1012 HG3 MET 21 HG1 MET 21 28.978 23.756 13.581 1013 HE1 MET 21 HE1 MET 21 29.643 25.340 14.922 1014 HE2 MET 21 HE2 MET 21 30.681 26.734 14.638 1015 HE3 MET 21 HE3 MET 21 31.401 25.173 15.016 1016 H ALA 22 HN ALA 22 32.273 20.226 13.524 1017 HA ALA 22 HA ALA 22 34.866 21.075 14.300 1018 HB1 ALA 22 HB1 ALA 22 35.060 19.027 15.385 1019 HB2 ALA 22 HB2 ALA 22 34.107 18.179 14.167 1020 HB3 ALA 22 HB3 ALA 22 33.312 19.250 15.319 1021 H TRP 23 HN TRP 23 33.712 18.985 11.678 1022 HA TRP 23 HA TRP 23 36.195 18.037 10.772 1023 HB2 TRP 23 HB2 TRP 23 33.481 18.045 9.861 1024 HB3 TRP 23 HB1 TRP 23 34.534 18.490 8.516 1025 HD1 TRP 23 HD1 TRP 23 33.998 15.692 11.092 1026 HE1 TRP 23 HE1 TRP 23 35.089 13.537 10.190 1027 HE3 TRP 23 HE3 TRP 23 36.268 17.535 6.903 1028 HZ2 TRP 23 HZ2 TRP 23 36.711 12.704 7.985 1029 HZ3 TRP 23 HZ3 TRP 23 37.578 16.041 5.422 1030 HH2 TRP 23 HH2 TRP 23 37.802 13.628 5.957 1031 H THR 24 HN THR 24 34.358 20.926 9.778 1032 HA THR 24 HA THR 24 36.098 21.892 7.837 1033 HB THR 24 HB THR 24 34.428 23.478 9.806 1034 HG1 THR 24 HG1 THR 24 32.907 22.546 8.712 1035 HG21 THR 24 HG21 THR 24 36.057 24.909 8.716 1036 HG22 THR 24 HG22 THR 24 34.477 25.194 7.984 1037 HG23 THR 24 HG23 THR 24 35.673 24.207 7.144 1038 H ILE 25 HN ILE 25 36.078 22.481 11.352 1039 HA ILE 25 HA ILE 25 38.321 24.229 11.368 1040 HB ILE 25 HB ILE 25 37.113 22.468 13.502 1041 HG12 ILE 25 HG12 ILE 25 37.116 25.482 13.206 1042 HG13 ILE 25 HG11 ILE 25 35.841 24.461 12.541 1043 HG21 ILE 25 HG21 ILE 25 38.475 23.953 15.055 1044 HG22 ILE 25 HG22 ILE 25 39.390 24.459 13.635 1045 HG23 ILE 25 HG23 ILE 25 39.406 22.768 14.139 1046 HD11 ILE 25 HD11 ILE 25 35.217 25.306 14.776 1047 HD12 ILE 25 HD12 ILE 25 36.667 24.571 15.458 1048 HD13 ILE 25 HD13 ILE 25 35.391 23.551 14.792 1049 H GLY 26 HN GLY 26 38.018 20.748 11.702 1050 HA2 GLY 26 HA2 GLY 26 40.677 20.146 12.416 1051 HA3 GLY 26 HA1 GLY 26 39.585 19.037 11.591 1052 H HIS 27 HN HIS 27 39.144 20.283 9.203 1053 HA HIS 27 HA HIS 27 41.455 19.635 7.719 1054 HB2 HIS 27 HB2 HIS 27 39.043 19.657 6.908 1055 HB3 HIS 27 HB1 HIS 27 39.213 21.404 6.748 1056 HD2 HIS 27 HD2 HIS 27 40.086 18.226 4.766 1057 HE1 HIS 27 HE1 HIS 27 42.233 21.382 2.964 1058 HE2 HIS 27 HE2 HIS 27 41.519 18.959 2.711 1059 H LEU 28 HN LEU 28 40.158 22.713 8.871 1060 HA LEU 28 HA LEU 28 41.993 24.372 7.467 1061 HB2 LEU 28 HB2 LEU 28 40.004 24.690 9.632 1062 HB3 LEU 28 HB1 LEU 28 41.330 25.853 9.653 1063 HG LEU 28 HG LEU 28 39.291 26.531 8.281 1064 HD11 LEU 28 HD11 LEU 28 41.632 27.452 8.013 1065 HD12 LEU 28 HD12 LEU 28 40.642 27.539 6.557 1066 HD13 LEU 28 HD13 LEU 28 41.872 26.288 6.711 1067 HD21 LEU 28 HD21 LEU 28 39.150 24.089 7.321 1068 HD22 LEU 28 HD22 LEU 28 40.368 24.642 6.179 1069 HD23 LEU 28 HD23 LEU 28 38.800 25.441 6.250 1070 H ASN 29 HN ASN 29 42.070 22.823 10.619 1071 HA ASN 29 HA ASN 29 43.822 22.410 12.043 1072 HB2 ASN 29 HB2 ASN 29 44.967 22.456 9.462 1073 HB3 ASN 29 HB1 ASN 29 46.036 23.399 10.499 1074 HD21 ASN 29 HD21 ASN 29 45.284 20.227 9.550 1075 HD22 ASN 29 HD22 ASN 29 46.052 19.406 10.822 1076 H GLN 30 HN GLN 30 44.129 23.648 13.751 1077 HA GLN 30 HA GLN 30 44.432 26.541 13.424 1078 HB2 GLN 30 HB2 GLN 30 44.184 26.540 15.940 1079 HB3 GLN 30 HB1 GLN 30 42.794 25.913 15.053 1080 HG2 GLN 30 HG2 GLN 30 44.824 23.885 15.719 1081 HG3 GLN 30 HG1 GLN 30 44.027 24.599 17.120 1082 HE21 GLN 30 HE21 GLN 30 42.518 22.985 17.684 1083 HE22 GLN 30 HE22 GLN 30 41.354 22.360 16.618 1084 H ILE 31 HN ILE 31 46.631 24.801 12.689 1085 HA ILE 31 HA ILE 31 48.913 24.760 12.883 1086 HB ILE 31 HB ILE 31 48.496 27.031 14.851 1087 HG12 ILE 31 HG12 ILE 31 49.175 27.186 11.917 1088 HG13 ILE 31 HG11 ILE 31 47.525 27.330 12.521 1089 HG21 ILE 31 HG21 ILE 31 50.793 27.564 14.447 1090 HG22 ILE 31 HG22 ILE 31 50.920 26.324 13.201 1091 HG23 ILE 31 HG23 ILE 31 50.729 25.859 14.890 1092 HD11 ILE 31 HD11 ILE 31 48.558 29.553 12.252 1093 HD12 ILE 31 HD12 ILE 31 49.854 29.084 13.352 1094 HD13 ILE 31 HD13 ILE 31 48.200 29.222 13.947 1095 H LYS 32 HN LYS 32 48.334 25.817 16.220 1096 HA LYS 32 HA LYS 32 48.513 23.189 17.307 1097 HB2 LYS 32 HB2 LYS 32 50.942 24.536 16.731 1098 HB3 LYS 32 HB1 LYS 32 50.728 24.598 18.480 1099 HG2 LYS 32 HG2 LYS 32 50.004 22.001 17.925 1100 HG3 LYS 32 HG1 LYS 32 51.278 22.287 16.741 1101 HD2 LYS 32 HD2 LYS 32 52.728 23.136 18.591 1102 HD3 LYS 32 HD1 LYS 32 51.460 22.690 19.734 1103 HE2 LYS 32 HE2 LYS 32 51.616 20.347 18.535 1104 HE3 LYS 32 HE1 LYS 32 53.221 20.915 18.078 1105 HZ1 LYS 32 HZ1 LYS 32 53.913 20.347 20.088 1106 HZ2 LYS 32 HZ2 LYS 32 52.341 19.928 20.569 1107 HZ3 LYS 32 HZ3 LYS 32 52.897 21.520 20.774 1108 H ARG 33 HN ARG 33 46.856 25.636 17.425 1109 HA ARG 33 HA ARG 33 45.706 26.875 18.982 1110 HB2 ARG 33 HB2 ARG 33 45.359 24.570 19.896 1111 HB3 ARG 33 HB1 ARG 33 46.761 24.822 20.937 1112 HG2 ARG 33 HG2 ARG 33 45.699 26.631 22.086 1113 HG3 ARG 33 HG1 ARG 33 44.392 26.703 20.904 1114 HD2 ARG 33 HD2 ARG 33 43.689 24.415 21.581 1115 HD3 ARG 33 HD1 ARG 33 44.955 24.406 22.802 1116 HE ARG 33 HE ARG 33 42.442 25.850 22.926 1117 HH11 ARG 33 HH11 ARG 33 45.722 25.583 24.087 1118 HH12 ARG 33 HH12 ARG 33 45.388 26.400 25.568 1119 HH21 ARG 33 HH21 ARG 33 42.035 26.928 24.880 1120 HH22 ARG 33 HH22 ARG 33 43.320 27.162 26.018
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