NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
637386 | 6d8h | 30459 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ALA 1 H1 ALA 1 19.619 14.210 19.958 2 H2 ALA 1 H2 ALA 1 19.631 13.150 21.204 3 H3 ALA 1 H3 ALA 1 21.066 13.728 20.611 4 HA ALA 1 HA ALA 1 18.985 15.309 21.930 5 HB1 ALA 1 HB1 ALA 1 20.160 13.861 23.557 6 HB2 ALA 1 HB2 ALA 1 21.722 14.496 22.997 7 HB3 ALA 1 HB3 ALA 1 20.564 15.566 23.804 8 H PHE 2 H PHE 2 19.284 17.495 21.992 9 HA PHE 2 HA PHE 2 21.184 18.636 20.028 10 HB2 PHE 2 HB2 PHE 2 19.007 20.072 21.564 11 HB3 PHE 2 HB3 PHE 2 19.792 20.562 20.067 12 HD1 PHE 2 HD1 PHE 2 17.110 18.621 21.566 13 HD2 PHE 2 HD2 PHE 2 19.341 19.225 17.924 14 HE1 PHE 2 HE1 PHE 2 15.395 17.366 20.315 15 HE2 PHE 2 HE2 PHE 2 17.583 18.007 16.654 16 HZ PHE 2 HZ PHE 2 15.596 17.095 17.841 17 H CYS 3 H CYS 3 22.493 20.515 20.514 18 HA CYS 3 HA CYS 3 23.701 20.463 23.186 19 HB2 CYS 3 HB2 CYS 3 25.299 22.045 22.197 20 HB3 CYS 3 HB3 CYS 3 25.074 20.619 21.188 21 H ASN 4 H ASN 4 23.921 22.244 24.583 22 HA ASN 4 HA ASN 4 21.610 24.098 24.686 23 HB2 ASN 4 HB2 ASN 4 23.838 23.619 26.687 24 HB3 ASN 4 HB3 ASN 4 22.366 24.537 26.966 25 HD21 ASN 4 HD21 ASN 4 22.380 20.683 27.842 26 HD22 ASN 4 HD22 ASN 4 23.800 21.679 27.595 27 H LEU 5 H LEU 5 22.580 25.072 22.619 28 HA LEU 5 HA LEU 5 25.080 26.403 22.692 29 HB2 LEU 5 HB2 LEU 5 24.020 25.678 20.631 30 HB3 LEU 5 HB3 LEU 5 22.685 26.811 20.874 31 HG LEU 5 HG LEU 5 24.202 28.721 20.576 32 HD11 LEU 5 HD11 LEU 5 26.342 27.839 21.416 33 HD12 LEU 5 HD12 LEU 5 26.387 26.649 20.092 34 HD13 LEU 5 HD13 LEU 5 26.521 28.380 19.749 35 HD21 LEU 5 HD21 LEU 5 24.519 26.642 18.376 36 HD22 LEU 5 HD22 LEU 5 23.107 27.703 18.610 37 HD23 LEU 5 HD23 LEU 5 24.680 28.404 18.199 38 H ARG 6 H ARG 6 21.809 27.786 23.324 39 HA ARG 6 HA ARG 6 22.673 30.508 23.574 40 HB2 ARG 6 HB2 ARG 6 20.337 29.795 23.250 41 HB3 ARG 6 HB3 ARG 6 20.302 29.160 24.908 42 HG2 ARG 6 HG2 ARG 6 20.656 31.412 25.819 43 HG3 ARG 6 HG3 ARG 6 20.917 32.057 24.189 44 HD2 ARG 6 HD2 ARG 6 18.717 32.641 24.953 45 HD3 ARG 6 HD3 ARG 6 18.595 31.512 23.587 46 HE ARG 6 HE ARG 6 18.489 29.927 25.898 47 HH11 ARG 6 HH11 ARG 6 16.442 32.405 24.461 48 HH12 ARG 6 HH12 ARG 6 14.997 31.708 25.172 49 HH21 ARG 6 HH21 ARG 6 16.771 29.069 26.580 50 HH22 ARG 6 HH22 ARG 6 15.160 29.728 26.347 51 H ARG 7 H ARG 7 22.585 27.931 25.996 52 HA ARG 7 HA ARG 7 23.600 29.516 28.223 53 HB2 ARG 7 HB2 ARG 7 23.613 26.533 27.577 54 HB3 ARG 7 HB3 ARG 7 24.265 27.170 29.061 55 HG2 ARG 7 HG2 ARG 7 21.401 27.873 28.320 56 HG3 ARG 7 HG3 ARG 7 21.799 26.255 28.881 57 HD2 ARG 7 HD2 ARG 7 21.175 27.281 30.831 58 HD3 ARG 7 HD3 ARG 7 22.935 27.338 30.902 59 HE ARG 7 HE ARG 7 21.541 29.730 29.827 60 HH11 ARG 7 HH11 ARG 7 22.802 28.255 32.770 61 HH12 ARG 7 HH12 ARG 7 22.960 29.781 33.592 62 HH21 ARG 7 HH21 ARG 7 21.753 31.671 30.964 63 HH22 ARG 7 HH22 ARG 7 22.269 31.632 32.633 64 H CYS 8 H CYS 8 25.197 27.605 25.677 65 HA CYS 8 HA CYS 8 27.876 27.876 26.685 66 HB2 CYS 8 HB2 CYS 8 26.902 26.115 25.140 67 HB3 CYS 8 HB3 CYS 8 26.853 27.330 23.872 68 H GLU 9 H GLU 9 26.191 29.786 24.123 69 HA GLU 9 HA GLU 9 28.470 31.453 23.577 70 HB2 GLU 9 HB2 GLU 9 27.001 32.790 22.284 71 HB3 GLU 9 HB3 GLU 9 26.619 31.085 22.012 72 HG2 GLU 9 HG2 GLU 9 24.574 31.230 23.030 73 HG3 GLU 9 HG3 GLU 9 25.008 32.552 24.098 74 H LEU 10 H LEU 10 26.457 31.490 26.290 75 HA LEU 10 HA LEU 10 27.164 34.256 27.064 76 HB2 LEU 10 HB2 LEU 10 24.903 33.868 27.473 77 HB3 LEU 10 HB3 LEU 10 25.150 32.158 27.850 78 HG LEU 10 HG LEU 10 26.195 32.727 29.942 79 HD11 LEU 10 HD11 LEU 10 25.912 35.022 30.917 80 HD12 LEU 10 HD12 LEU 10 26.973 35.076 29.503 81 HD13 LEU 10 HD13 LEU 10 25.280 35.591 29.365 82 HD21 LEU 10 HD21 LEU 10 23.811 32.201 29.816 83 HD22 LEU 10 HD22 LEU 10 24.129 33.361 31.122 84 HD23 LEU 10 HD23 LEU 10 23.432 33.926 29.588 85 H SER 11 H SER 11 27.589 30.832 28.102 86 HA SER 11 HA SER 11 29.106 31.588 30.428 87 HB2 SER 11 HB2 SER 11 27.878 29.445 30.303 88 HB3 SER 11 HB3 SER 11 29.018 28.865 29.069 89 HG SER 11 HG SER 11 29.580 29.667 31.746 90 H CYS 12 H CYS 12 30.126 30.392 27.207 91 HA CYS 12 HA CYS 12 32.953 30.622 27.749 92 HB2 CYS 12 HB2 CYS 12 31.374 30.728 25.151 93 HB3 CYS 12 HB3 CYS 12 33.118 30.521 25.265 94 H ARG 13 H ARG 13 30.438 32.920 26.744 95 HA ARG 13 HA ARG 13 32.305 35.010 25.870 96 HB2 ARG 13 HB2 ARG 13 30.110 35.155 25.024 97 HB3 ARG 13 HB3 ARG 13 29.368 35.047 26.628 98 HG2 ARG 13 HG2 ARG 13 30.139 37.247 27.238 99 HG3 ARG 13 HG3 ARG 13 31.152 37.358 25.798 100 HD2 ARG 13 HD2 ARG 13 29.140 38.709 25.563 101 HD3 ARG 13 HD3 ARG 13 29.205 37.437 24.350 102 HE ARG 13 HE ARG 13 27.247 36.570 25.182 103 HH11 ARG 13 HH11 ARG 13 28.439 38.695 27.769 104 HH12 ARG 13 HH12 ARG 13 26.843 38.676 28.507 105 HH21 ARG 13 HH21 ARG 13 25.354 36.625 26.286 106 HH22 ARG 13 HH22 ARG 13 25.267 37.606 27.767 107 H SER 14 H SER 14 30.818 34.202 29.001 108 HA SER 14 HA SER 14 31.960 36.408 30.418 109 HB2 SER 14 HB2 SER 14 31.187 33.676 31.481 110 HB3 SER 14 HB3 SER 14 31.433 35.131 32.448 111 HG SER 14 HG SER 14 29.668 36.084 31.287 112 H LEU 15 H LEU 15 33.596 33.793 29.008 113 HA LEU 15 HA LEU 15 36.047 34.232 30.640 114 HB2 LEU 15 HB2 LEU 15 35.482 31.990 28.679 115 HB3 LEU 15 HB3 LEU 15 36.847 32.112 29.799 116 HG LEU 15 HG LEU 15 33.946 31.692 30.577 117 HD11 LEU 15 HD11 LEU 15 34.665 29.433 31.197 118 HD12 LEU 15 HD12 LEU 15 34.939 29.738 29.471 119 HD13 LEU 15 HD13 LEU 15 36.304 29.790 30.613 120 HD21 LEU 15 HD21 LEU 15 34.839 31.219 32.842 121 HD22 LEU 15 HD22 LEU 15 36.461 31.683 32.289 122 HD23 LEU 15 HD23 LEU 15 35.159 32.895 32.365 123 H GLY 16 H GLY 16 34.646 35.406 27.856 124 HA2 GLY 16 HA2 GLY 16 35.531 36.635 26.120 125 HA3 GLY 16 HA3 GLY 16 37.169 36.284 26.682 126 H LEU 17 H LEU 17 34.777 33.791 25.896 127 HA LEU 17 HA LEU 17 36.265 33.063 23.393 128 HB2 LEU 17 HB2 LEU 17 35.216 31.310 25.643 129 HB3 LEU 17 HB3 LEU 17 35.716 30.673 24.082 130 HG LEU 17 HG LEU 17 37.546 32.310 25.826 131 HD11 LEU 17 HD11 LEU 17 37.499 29.287 25.788 132 HD12 LEU 17 HD12 LEU 17 38.570 30.342 26.715 133 HD13 LEU 17 HD13 LEU 17 36.850 30.305 27.105 134 HD21 LEU 17 HD21 LEU 17 38.246 32.042 23.454 135 HD22 LEU 17 HD22 LEU 17 39.348 31.249 24.587 136 HD23 LEU 17 HD23 LEU 17 38.192 30.276 23.663 137 H LEU 18 H LEU 18 35.146 32.069 21.775 138 HA LEU 18 HA LEU 18 32.327 32.684 21.407 139 HB2 LEU 18 HB2 LEU 18 33.867 32.760 19.524 140 HB3 LEU 18 HB3 LEU 18 34.398 31.109 19.834 141 HG LEU 18 HG LEU 18 32.155 30.248 19.233 142 HD11 LEU 18 HD11 LEU 18 30.747 32.206 19.778 143 HD12 LEU 18 HD12 LEU 18 31.549 33.141 18.494 144 HD13 LEU 18 HD13 LEU 18 30.546 31.735 18.087 145 HD21 LEU 18 HD21 LEU 18 33.300 32.073 17.094 146 HD22 LEU 18 HD22 LEU 18 33.979 30.492 17.543 147 HD23 LEU 18 HD23 LEU 18 32.351 30.587 16.856 148 H GLY 19 H GLY 19 30.707 31.441 22.163 149 HA2 GLY 19 HA2 GLY 19 31.062 28.692 23.108 150 HA3 GLY 19 HA3 GLY 19 29.539 29.574 22.973 151 H LYS 20 H LYS 20 31.243 27.011 21.797 152 HA LYS 20 HA LYS 20 30.038 26.921 19.092 153 HB2 LYS 20 HB2 LYS 20 32.397 27.081 18.959 154 HB3 LYS 20 HB3 LYS 20 32.641 26.060 20.384 155 HG2 LYS 20 HG2 LYS 20 33.344 24.872 18.426 156 HG3 LYS 20 HG3 LYS 20 31.953 24.066 19.130 157 HD2 LYS 20 HD2 LYS 20 30.511 25.312 17.422 158 HD3 LYS 20 HD3 LYS 20 32.032 25.854 16.661 159 HE2 LYS 20 HE2 LYS 20 32.736 23.440 16.511 160 HE3 LYS 20 HE3 LYS 20 31.178 22.973 17.201 161 HZ1 LYS 20 HZ1 LYS 20 31.104 22.796 14.774 162 HZ2 LYS 20 HZ2 LYS 20 30.130 24.070 15.218 163 HZ3 LYS 20 HZ3 LYS 20 31.639 24.316 14.612 164 H CYS 21 H CYS 21 28.449 25.507 18.817 165 HA CYS 21 HA CYS 21 27.935 23.248 20.632 166 HB2 CYS 21 HB2 CYS 21 26.105 24.478 19.543 167 HB3 CYS 21 HB3 CYS 21 26.791 24.146 17.960 168 H ILE 22 H ILE 22 29.278 21.473 20.522 169 HA ILE 22 HA ILE 22 30.698 20.723 18.054 170 HB ILE 22 HB ILE 22 30.359 19.304 20.722 171 HG12 ILE 22 HG12 ILE 22 31.620 21.389 20.955 172 HG13 ILE 22 HG13 ILE 22 32.633 19.983 21.210 173 HG21 ILE 22 HG21 ILE 22 30.864 17.605 19.082 174 HG22 ILE 22 HG22 ILE 22 32.136 18.597 18.351 175 HG23 ILE 22 HG23 ILE 22 32.337 17.932 19.987 176 HD11 ILE 22 HD11 ILE 22 33.623 20.253 18.938 177 HD12 ILE 22 HD12 ILE 22 32.600 21.684 18.673 178 HD13 ILE 22 HD13 ILE 22 33.841 21.692 19.930 179 H GLY 23 H GLY 23 27.800 19.660 19.757 180 HA2 GLY 23 HA2 GLY 23 26.277 18.984 17.527 181 HA3 GLY 23 HA3 GLY 23 27.092 17.485 17.998 182 H GLU 24 H GLU 24 27.123 17.476 20.658 183 HA GLU 24 HA GLU 24 24.498 18.322 21.767 184 HB2 GLU 24 HB2 GLU 24 24.133 16.323 22.917 185 HB3 GLU 24 HB3 GLU 24 24.417 15.909 21.243 186 HG2 GLU 24 HG2 GLU 24 26.813 15.329 21.883 187 HG3 GLU 24 HG3 GLU 24 26.329 15.512 23.574 188 H GLU 25 H GLU 25 27.941 18.116 22.126 189 HA GLU 25 HA GLU 25 27.843 19.299 24.848 190 HB2 GLU 25 HB2 GLU 25 30.167 18.259 23.204 191 HB3 GLU 25 HB3 GLU 25 30.276 18.867 24.855 192 HG2 GLU 25 HG2 GLU 25 28.773 16.367 23.949 193 HG3 GLU 25 HG3 GLU 25 30.318 16.419 24.773 194 H CYS 26 H CYS 26 29.237 21.067 25.366 195 HA CYS 26 HA CYS 26 29.297 23.235 23.329 196 HB2 CYS 26 HB2 CYS 26 27.983 23.740 25.266 197 HB3 CYS 26 HB3 CYS 26 29.205 23.095 26.339 198 H LYS 27 H LYS 27 31.138 24.428 22.953 199 HA LYS 27 HA LYS 27 33.681 23.821 24.386 200 HB2 LYS 27 HB2 LYS 27 33.129 23.031 21.724 201 HB3 LYS 27 HB3 LYS 27 33.997 24.529 21.536 202 HG2 LYS 27 HG2 LYS 27 35.611 22.874 21.423 203 HG3 LYS 27 HG3 LYS 27 35.840 23.558 23.021 204 HD2 LYS 27 HD2 LYS 27 34.055 21.122 22.712 205 HD3 LYS 27 HD3 LYS 27 35.800 20.927 22.515 206 HE2 LYS 27 HE2 LYS 27 36.163 21.931 24.753 207 HE3 LYS 27 HE3 LYS 27 34.413 22.017 24.999 208 HZ1 LYS 27 HZ1 LYS 27 35.820 19.483 24.370 209 HZ2 LYS 27 HZ2 LYS 27 35.558 19.956 25.910 210 HZ3 LYS 27 HZ3 LYS 27 34.299 19.615 24.911 211 H CYS 28 H CYS 28 35.071 25.533 24.620 212 HA CYS 28 HA CYS 28 34.104 28.288 23.880 213 HB2 CYS 28 HB2 CYS 28 35.825 27.446 26.212 214 HB3 CYS 28 HB3 CYS 28 35.245 29.057 25.829 215 H VAL 29 H VAL 29 35.248 29.150 22.268 216 HA VAL 29 HA VAL 29 38.108 28.396 21.793 217 HB VAL 29 HB VAL 29 37.560 27.932 19.425 218 HG11 VAL 29 HG11 VAL 29 35.972 26.126 21.267 219 HG12 VAL 29 HG12 VAL 29 36.678 25.723 19.694 220 HG13 VAL 29 HG13 VAL 29 37.738 26.081 21.068 221 HG21 VAL 29 HG21 VAL 29 35.465 29.178 19.164 222 HG22 VAL 29 HG22 VAL 29 35.268 27.484 18.707 223 HG23 VAL 29 HG23 VAL 29 34.639 28.049 20.262 224 HA PRO 30 HA PRO 30 38.688 32.583 20.270 225 HB2 PRO 30 HB2 PRO 30 39.732 31.401 17.698 226 HB3 PRO 30 HB3 PRO 30 40.440 32.711 18.706 227 HG2 PRO 30 HG2 PRO 30 41.446 30.194 18.820 228 HG3 PRO 30 HG3 PRO 30 41.202 31.137 20.324 229 HD2 PRO 30 HD2 PRO 30 39.440 28.975 19.155 230 HD3 PRO 30 HD3 PRO 30 39.946 29.205 20.845 231 H TYR 31 H TYR 31 37.613 34.159 19.021 232 HA TYR 31 HA TYR 31 35.199 33.333 17.600 233 HB2 TYR 31 HB2 TYR 31 36.492 36.035 18.102 234 HB3 TYR 31 HB3 TYR 31 35.051 35.817 17.140 235 HD1 TYR 31 HD1 TYR 31 36.379 35.734 20.596 236 HD2 TYR 31 HD2 TYR 31 32.899 35.282 18.081 237 HE1 TYR 31 HE1 TYR 31 34.904 35.947 22.597 238 HE2 TYR 31 HE2 TYR 31 31.432 35.451 20.090 239 HH TYR 31 HH TYR 31 32.720 36.368 23.260 240 H ASN 32 H ASN 32 34.844 33.188 15.463 241 HA ASN 32 HA ASN 32 37.131 33.167 13.642 242 HB2 ASN 32 HB2 ASN 32 34.225 32.538 12.997 243 HB3 ASN 32 HB3 ASN 32 35.651 32.014 12.117 244 HD21 ASN 32 HD21 ASN 32 36.524 29.662 14.839 245 HD22 ASN 32 HD22 ASN 32 37.311 30.838 13.792 Start of MODEL 2 1 H1 ALA 1 H1 ALA 1 17.157 16.991 24.965 2 H2 ALA 1 H2 ALA 1 16.586 16.393 23.541 3 H3 ALA 1 H3 ALA 1 15.542 16.981 24.682 4 HA ALA 1 HA ALA 1 15.802 18.514 22.869 5 HB1 ALA 1 HB1 ALA 1 17.021 19.513 25.486 6 HB2 ALA 1 HB2 ALA 1 16.276 20.517 24.225 7 HB3 ALA 1 HB3 ALA 1 15.283 19.374 25.145 8 H PHE 2 H PHE 2 17.216 20.110 21.779 9 HA PHE 2 HA PHE 2 19.802 19.148 21.040 10 HB2 PHE 2 HB2 PHE 2 18.848 22.022 20.929 11 HB3 PHE 2 HB3 PHE 2 20.048 21.257 19.904 12 HD1 PHE 2 HD1 PHE 2 19.240 19.364 18.314 13 HD2 PHE 2 HD2 PHE 2 16.590 22.140 20.275 14 HE1 PHE 2 HE1 PHE 2 17.469 18.854 16.644 15 HE2 PHE 2 HE2 PHE 2 14.822 21.628 18.617 16 HZ PHE 2 HZ PHE 2 15.256 19.983 16.796 17 H CYS 3 H CYS 3 21.888 20.265 21.371 18 HA CYS 3 HA CYS 3 22.693 20.711 24.017 19 HB2 CYS 3 HB2 CYS 3 24.673 21.824 22.939 20 HB3 CYS 3 HB3 CYS 3 24.265 20.218 22.342 21 H ASN 4 H ASN 4 23.171 22.560 25.265 22 HA ASN 4 HA ASN 4 21.139 24.627 25.039 23 HB2 ASN 4 HB2 ASN 4 21.768 25.231 27.272 24 HB3 ASN 4 HB3 ASN 4 21.553 23.495 27.149 25 HD21 ASN 4 HD21 ASN 4 24.490 23.951 29.243 26 HD22 ASN 4 HD22 ASN 4 22.724 24.121 29.320 27 H LEU 5 H LEU 5 22.407 25.186 22.876 28 HA LEU 5 HA LEU 5 24.864 26.434 22.900 29 HB2 LEU 5 HB2 LEU 5 23.703 25.600 20.900 30 HB3 LEU 5 HB3 LEU 5 22.547 26.930 21.003 31 HG LEU 5 HG LEU 5 24.375 28.567 20.583 32 HD11 LEU 5 HD11 LEU 5 26.327 27.383 21.482 33 HD12 LEU 5 HD12 LEU 5 26.132 26.098 20.266 34 HD13 LEU 5 HD13 LEU 5 26.581 27.750 19.776 35 HD21 LEU 5 HD21 LEU 5 23.092 27.648 18.704 36 HD22 LEU 5 HD22 LEU 5 24.760 27.984 18.228 37 HD23 LEU 5 HD23 LEU 5 24.247 26.308 18.547 38 H ARG 6 H ARG 6 21.728 28.129 23.430 39 HA ARG 6 HA ARG 6 22.851 30.784 23.511 40 HB2 ARG 6 HB2 ARG 6 20.416 29.576 24.876 41 HB3 ARG 6 HB3 ARG 6 20.874 31.272 25.061 42 HG2 ARG 6 HG2 ARG 6 20.806 31.579 22.607 43 HG3 ARG 6 HG3 ARG 6 20.216 29.920 22.411 44 HD2 ARG 6 HD2 ARG 6 18.817 32.063 24.085 45 HD3 ARG 6 HD3 ARG 6 18.494 31.750 22.379 46 HE ARG 6 HE ARG 6 18.260 29.412 24.173 47 HH11 ARG 6 HH11 ARG 6 16.473 31.966 22.531 48 HH12 ARG 6 HH12 ARG 6 15.038 30.996 22.366 49 HH21 ARG 6 HH21 ARG 6 16.336 28.272 24.039 50 HH22 ARG 6 HH22 ARG 6 15.016 28.929 23.102 51 H ARG 7 H ARG 7 22.470 28.434 26.181 52 HA ARG 7 HA ARG 7 23.774 30.122 28.145 53 HB2 ARG 7 HB2 ARG 7 22.261 28.307 28.772 54 HB3 ARG 7 HB3 ARG 7 23.395 27.107 28.141 55 HG2 ARG 7 HG2 ARG 7 25.064 27.681 29.787 56 HG3 ARG 7 HG3 ARG 7 24.172 29.117 30.300 57 HD2 ARG 7 HD2 ARG 7 23.040 26.306 30.583 58 HD3 ARG 7 HD3 ARG 7 24.099 27.020 31.800 59 HE ARG 7 HE ARG 7 21.298 27.765 31.250 60 HH11 ARG 7 HH11 ARG 7 24.230 28.935 32.840 61 HH12 ARG 7 HH12 ARG 7 23.291 29.823 34.008 62 HH21 ARG 7 HH21 ARG 7 20.254 28.863 32.710 63 HH22 ARG 7 HH22 ARG 7 21.093 29.694 34.035 64 H CYS 8 H CYS 8 25.027 27.585 25.961 65 HA CYS 8 HA CYS 8 27.773 27.766 26.868 66 HB2 CYS 8 HB2 CYS 8 26.780 25.927 25.454 67 HB3 CYS 8 HB3 CYS 8 26.619 27.078 24.125 68 H GLU 9 H GLU 9 26.120 29.594 24.246 69 HA GLU 9 HA GLU 9 28.349 31.177 23.555 70 HB2 GLU 9 HB2 GLU 9 25.367 31.701 23.468 71 HB3 GLU 9 HB3 GLU 9 26.552 32.916 22.965 72 HG2 GLU 9 HG2 GLU 9 27.542 31.313 21.359 73 HG3 GLU 9 HG3 GLU 9 26.305 30.129 21.758 74 H LEU 10 H LEU 10 26.043 31.723 26.293 75 HA LEU 10 HA LEU 10 27.432 34.233 26.923 76 HB2 LEU 10 HB2 LEU 10 25.825 34.694 28.513 77 HB3 LEU 10 HB3 LEU 10 25.007 33.993 27.150 78 HG LEU 10 HG LEU 10 25.152 31.760 28.579 79 HD11 LEU 10 HD11 LEU 10 26.461 32.660 30.480 80 HD12 LEU 10 HD12 LEU 10 25.242 33.926 30.722 81 HD13 LEU 10 HD13 LEU 10 24.842 32.214 30.999 82 HD21 LEU 10 HD21 LEU 10 23.070 32.847 27.875 83 HD22 LEU 10 HD22 LEU 10 22.949 32.285 29.543 84 HD23 LEU 10 HD23 LEU 10 23.210 34.013 29.208 85 H SER 11 H SER 11 27.580 30.912 28.053 86 HA SER 11 HA SER 11 29.115 31.412 30.462 87 HB2 SER 11 HB2 SER 11 27.789 29.381 30.190 88 HB3 SER 11 HB3 SER 11 28.730 28.923 28.760 89 HG SER 11 HG SER 11 29.868 27.900 30.155 90 H CYS 12 H CYS 12 29.997 30.427 27.107 91 HA CYS 12 HA CYS 12 32.873 30.550 27.621 92 HB2 CYS 12 HB2 CYS 12 31.295 30.684 25.030 93 HB3 CYS 12 HB3 CYS 12 33.030 30.490 25.144 94 H ARG 13 H ARG 13 30.389 32.872 26.516 95 HA ARG 13 HA ARG 13 32.257 35.007 25.813 96 HB2 ARG 13 HB2 ARG 13 29.992 34.965 25.021 97 HB3 ARG 13 HB3 ARG 13 29.348 35.087 26.664 98 HG2 ARG 13 HG2 ARG 13 30.088 37.370 26.856 99 HG3 ARG 13 HG3 ARG 13 30.988 37.268 25.335 100 HD2 ARG 13 HD2 ARG 13 27.964 36.893 25.588 101 HD3 ARG 13 HD3 ARG 13 28.744 38.413 25.139 102 HE ARG 13 HE ARG 13 29.801 37.059 23.228 103 HH11 ARG 13 HH11 ARG 13 26.492 36.296 24.282 104 HH12 ARG 13 HH12 ARG 13 26.119 35.611 22.723 105 HH21 ARG 13 HH21 ARG 13 29.154 36.211 21.284 106 HH22 ARG 13 HH22 ARG 13 27.573 35.513 21.140 107 H SER 14 H SER 14 30.847 33.996 28.874 108 HA SER 14 HA SER 14 31.791 36.203 30.414 109 HB2 SER 14 HB2 SER 14 31.172 33.383 31.343 110 HB3 SER 14 HB3 SER 14 31.372 34.809 32.377 111 HG SER 14 HG SER 14 29.379 34.347 30.390 112 H LEU 15 H LEU 15 33.604 33.748 28.910 113 HA LEU 15 HA LEU 15 36.003 34.249 30.636 114 HB2 LEU 15 HB2 LEU 15 35.513 32.114 28.515 115 HB3 LEU 15 HB3 LEU 15 36.939 32.252 29.523 116 HG LEU 15 HG LEU 15 34.138 31.665 30.544 117 HD11 LEU 15 HD11 LEU 15 34.965 29.388 30.879 118 HD12 LEU 15 HD12 LEU 15 35.076 29.839 29.175 119 HD13 LEU 15 HD13 LEU 15 36.540 29.829 30.187 120 HD21 LEU 15 HD21 LEU 15 35.513 32.790 32.260 121 HD22 LEU 15 HD22 LEU 15 35.358 31.089 32.659 122 HD23 LEU 15 HD23 LEU 15 36.864 31.677 31.941 123 H GLY 16 H GLY 16 34.607 35.485 27.849 124 HA2 GLY 16 HA2 GLY 16 35.475 36.780 26.129 125 HA3 GLY 16 HA3 GLY 16 37.111 36.524 26.766 126 H LEU 17 H LEU 17 34.920 33.848 25.930 127 HA LEU 17 HA LEU 17 36.475 33.245 23.453 128 HB2 LEU 17 HB2 LEU 17 35.168 31.288 25.387 129 HB3 LEU 17 HB3 LEU 17 36.021 30.857 23.903 130 HG LEU 17 HG LEU 17 37.219 32.136 26.346 131 HD11 LEU 17 HD11 LEU 17 38.408 30.058 26.720 132 HD12 LEU 17 HD12 LEU 17 36.670 29.864 26.838 133 HD13 LEU 17 HD13 LEU 17 37.538 29.303 25.372 134 HD21 LEU 17 HD21 LEU 17 38.641 31.044 23.880 135 HD22 LEU 17 HD22 LEU 17 38.494 32.767 24.290 136 HD23 LEU 17 HD23 LEU 17 39.427 31.695 25.336 137 H LEU 18 H LEU 18 35.260 32.034 21.826 138 HA LEU 18 HA LEU 18 32.417 32.855 21.555 139 HB2 LEU 18 HB2 LEU 18 34.197 31.134 19.796 140 HB3 LEU 18 HB3 LEU 18 32.557 31.645 19.398 141 HG LEU 18 HG LEU 18 34.896 33.553 19.791 142 HD11 LEU 18 HD11 LEU 18 35.283 32.073 17.868 143 HD12 LEU 18 HD12 LEU 18 33.649 32.424 17.249 144 HD13 LEU 18 HD13 LEU 18 34.871 33.701 17.308 145 HD21 LEU 18 HD21 LEU 18 32.698 34.640 20.113 146 HD22 LEU 18 HD22 LEU 18 33.442 35.167 18.593 147 HD23 LEU 18 HD23 LEU 18 32.139 33.972 18.565 148 H GLY 19 H GLY 19 30.731 31.458 21.783 149 HA2 GLY 19 HA2 GLY 19 31.254 28.728 22.902 150 HA3 GLY 19 HA3 GLY 19 29.749 29.621 23.039 151 H LYS 20 H LYS 20 31.025 27.004 21.688 152 HA LYS 20 HA LYS 20 29.200 26.981 19.302 153 HB2 LYS 20 HB2 LYS 20 31.898 25.587 19.522 154 HB3 LYS 20 HB3 LYS 20 30.847 25.629 18.112 155 HG2 LYS 20 HG2 LYS 20 32.368 28.004 19.274 156 HG3 LYS 20 HG3 LYS 20 32.829 27.048 17.871 157 HD2 LYS 20 HD2 LYS 20 30.761 27.761 16.685 158 HD3 LYS 20 HD3 LYS 20 30.351 28.802 18.068 159 HE2 LYS 20 HE2 LYS 20 32.599 29.928 17.810 160 HE3 LYS 20 HE3 LYS 20 32.874 28.962 16.357 161 HZ1 LYS 20 HZ1 LYS 20 30.858 30.008 15.402 162 HZ2 LYS 20 HZ2 LYS 20 30.726 30.982 16.733 163 HZ3 LYS 20 HZ3 LYS 20 32.000 31.110 15.744 164 H CYS 21 H CYS 21 28.391 24.873 18.743 165 HA CYS 21 HA CYS 21 28.565 22.800 20.903 166 HB2 CYS 21 HB2 CYS 21 26.383 23.609 21.111 167 HB3 CYS 21 HB3 CYS 21 26.160 23.755 19.361 168 H ILE 22 H ILE 22 29.699 21.126 20.202 169 HA ILE 22 HA ILE 22 30.338 20.818 17.385 170 HB ILE 22 HB ILE 22 31.940 20.539 19.232 171 HG12 ILE 22 HG12 ILE 22 31.734 17.985 17.573 172 HG13 ILE 22 HG13 ILE 22 32.235 19.546 16.916 173 HG21 ILE 22 HG21 ILE 22 32.024 18.520 20.593 174 HG22 ILE 22 HG22 ILE 22 30.459 19.282 20.828 175 HG23 ILE 22 HG23 ILE 22 30.597 17.850 19.786 176 HD11 ILE 22 HD11 ILE 22 34.202 18.245 17.427 177 HD12 ILE 22 HD12 ILE 22 34.125 19.624 18.545 178 HD13 ILE 22 HD13 ILE 22 33.673 17.992 19.095 179 H GLY 23 H GLY 23 28.057 19.271 19.481 180 HA2 GLY 23 HA2 GLY 23 26.548 18.133 17.343 181 HA3 GLY 23 HA3 GLY 23 27.469 16.846 18.136 182 H GLU 24 H GLU 24 27.367 17.163 20.726 183 HA GLU 24 HA GLU 24 24.683 18.154 21.637 184 HB2 GLU 24 HB2 GLU 24 26.102 15.600 22.438 185 HB3 GLU 24 HB3 GLU 24 24.764 16.287 23.342 186 HG2 GLU 24 HG2 GLU 24 24.460 15.558 20.402 187 HG3 GLU 24 HG3 GLU 24 24.281 14.375 21.684 188 H GLU 25 H GLU 25 28.102 18.170 22.042 189 HA GLU 25 HA GLU 25 28.017 19.193 24.800 190 HB2 GLU 25 HB2 GLU 25 30.409 18.377 23.107 191 HB3 GLU 25 HB3 GLU 25 30.357 18.690 24.830 192 HG2 GLU 25 HG2 GLU 25 30.370 16.392 24.770 193 HG3 GLU 25 HG3 GLU 25 28.659 16.746 24.999 194 H CYS 26 H CYS 26 28.843 21.107 25.475 195 HA CYS 26 HA CYS 26 29.082 23.334 23.581 196 HB2 CYS 26 HB2 CYS 26 27.918 23.677 25.672 197 HB3 CYS 26 HB3 CYS 26 29.285 23.048 26.592 198 H LYS 27 H LYS 27 30.939 24.249 22.849 199 HA LYS 27 HA LYS 27 33.569 23.657 24.138 200 HB2 LYS 27 HB2 LYS 27 32.915 23.936 21.170 201 HB3 LYS 27 HB3 LYS 27 34.543 23.794 21.834 202 HG2 LYS 27 HG2 LYS 27 32.399 21.646 22.039 203 HG3 LYS 27 HG3 LYS 27 33.663 21.710 20.819 204 HD2 LYS 27 HD2 LYS 27 35.164 20.753 22.173 205 HD3 LYS 27 HD3 LYS 27 34.913 21.998 23.412 206 HE2 LYS 27 HE2 LYS 27 33.020 20.849 24.299 207 HE3 LYS 27 HE3 LYS 27 33.081 19.611 23.027 208 HZ1 LYS 27 HZ1 LYS 27 34.113 18.784 25.071 209 HZ2 LYS 27 HZ2 LYS 27 35.268 18.938 23.926 210 HZ3 LYS 27 HZ3 LYS 27 35.141 20.066 25.118 211 H CYS 28 H CYS 28 34.760 25.328 24.639 212 HA CYS 28 HA CYS 28 34.057 28.119 23.752 213 HB2 CYS 28 HB2 CYS 28 35.739 27.299 26.093 214 HB3 CYS 28 HB3 CYS 28 35.175 28.904 25.623 215 H VAL 29 H VAL 29 35.396 29.204 22.412 216 HA VAL 29 HA VAL 29 38.192 28.282 21.992 217 HB VAL 29 HB VAL 29 37.757 28.303 19.488 218 HG11 VAL 29 HG11 VAL 29 36.389 26.050 20.995 219 HG12 VAL 29 HG12 VAL 29 37.162 25.995 19.388 220 HG13 VAL 29 HG13 VAL 29 38.147 26.239 20.828 221 HG21 VAL 29 HG21 VAL 29 34.851 27.902 20.298 222 HG22 VAL 29 HG22 VAL 29 35.522 29.355 19.516 223 HG23 VAL 29 HG23 VAL 29 35.542 27.813 18.658 224 HA PRO 30 HA PRO 30 39.018 32.568 21.252 225 HB2 PRO 30 HB2 PRO 30 41.366 32.524 19.877 226 HB3 PRO 30 HB3 PRO 30 41.238 31.918 21.553 227 HG2 PRO 30 HG2 PRO 30 41.114 30.305 18.982 228 HG3 PRO 30 HG3 PRO 30 42.146 30.010 20.419 229 HD2 PRO 30 HD2 PRO 30 39.779 28.731 20.048 230 HD3 PRO 30 HD3 PRO 30 40.319 29.205 21.677 231 H TYR 31 H TYR 31 39.666 34.161 19.419 232 HA TYR 31 HA TYR 31 37.713 33.968 17.273 233 HB2 TYR 31 HB2 TYR 31 39.864 36.047 17.795 234 HB3 TYR 31 HB3 TYR 31 38.453 36.230 16.761 235 HD1 TYR 31 HD1 TYR 31 36.192 35.321 18.334 236 HD2 TYR 31 HD2 TYR 31 39.632 37.642 19.503 237 HE1 TYR 31 HE1 TYR 31 34.857 36.395 20.139 238 HE2 TYR 31 HE2 TYR 31 38.273 38.742 21.289 239 HH TYR 31 HH TYR 31 36.221 38.633 22.503 240 H ASN 32 H ASN 32 38.338 34.713 15.037 241 HA ASN 32 HA ASN 32 40.744 33.297 13.955 242 HB2 ASN 32 HB2 ASN 32 38.336 34.564 12.556 243 HB3 ASN 32 HB3 ASN 32 39.685 33.771 11.760 244 HD21 ASN 32 HD21 ASN 32 38.412 30.487 13.078 245 HD22 ASN 32 HD22 ASN 32 39.863 31.387 13.490 Start of MODEL 3 1 H1 ALA 1 H1 ALA 1 21.017 13.814 22.552 2 H2 ALA 1 H2 ALA 1 19.627 14.075 21.724 3 H3 ALA 1 H3 ALA 1 19.595 13.179 23.118 4 HA ALA 1 HA ALA 1 18.707 15.395 23.437 5 HB1 ALA 1 HB1 ALA 1 19.759 14.205 25.345 6 HB2 ALA 1 HB2 ALA 1 21.331 14.912 24.920 7 HB3 ALA 1 HB3 ALA 1 19.986 15.952 25.442 8 H PHE 2 H PHE 2 18.779 17.511 22.816 9 HA PHE 2 HA PHE 2 20.850 18.329 20.938 10 HB2 PHE 2 HB2 PHE 2 18.698 20.093 22.110 11 HB3 PHE 2 HB3 PHE 2 19.491 20.234 20.539 12 HD1 PHE 2 HD1 PHE 2 16.585 19.137 22.243 13 HD2 PHE 2 HD2 PHE 2 19.109 18.117 18.912 14 HE1 PHE 2 HE1 PHE 2 14.761 17.772 21.287 15 HE2 PHE 2 HE2 PHE 2 17.247 16.780 17.929 16 HZ PHE 2 HZ PHE 2 15.086 16.587 19.121 17 H CYS 3 H CYS 3 22.266 20.180 21.118 18 HA CYS 3 HA CYS 3 23.407 20.440 23.785 19 HB2 CYS 3 HB2 CYS 3 25.119 21.784 22.667 20 HB3 CYS 3 HB3 CYS 3 24.834 20.250 21.870 21 H ASN 4 H ASN 4 23.655 22.249 25.063 22 HA ASN 4 HA ASN 4 21.550 24.320 24.833 23 HB2 ASN 4 HB2 ASN 4 22.304 24.958 27.136 24 HB3 ASN 4 HB3 ASN 4 21.589 23.376 26.952 25 HD21 ASN 4 HD21 ASN 4 25.592 23.585 27.882 26 HD22 ASN 4 HD22 ASN 4 24.882 24.807 26.836 27 H LEU 5 H LEU 5 22.733 24.931 22.786 28 HA LEU 5 HA LEU 5 25.249 26.257 22.863 29 HB2 LEU 5 HB2 LEU 5 24.322 25.257 20.850 30 HB3 LEU 5 HB3 LEU 5 22.969 26.390 20.870 31 HG LEU 5 HG LEU 5 24.486 28.270 20.417 32 HD11 LEU 5 HD11 LEU 5 26.847 27.845 19.749 33 HD12 LEU 5 HD12 LEU 5 26.574 27.568 21.466 34 HD13 LEU 5 HD13 LEU 5 26.700 26.189 20.353 35 HD21 LEU 5 HD21 LEU 5 23.512 26.969 18.537 36 HD22 LEU 5 HD22 LEU 5 25.083 27.665 18.123 37 HD23 LEU 5 HD23 LEU 5 24.955 25.939 18.514 38 H ARG 6 H ARG 6 21.926 27.618 23.185 39 HA ARG 6 HA ARG 6 22.739 30.415 23.088 40 HB2 ARG 6 HB2 ARG 6 20.334 28.897 24.149 41 HB3 ARG 6 HB3 ARG 6 20.554 30.570 24.595 42 HG2 ARG 6 HG2 ARG 6 19.058 30.367 22.703 43 HG3 ARG 6 HG3 ARG 6 20.478 31.323 22.302 44 HD2 ARG 6 HD2 ARG 6 20.283 28.372 21.581 45 HD3 ARG 6 HD3 ARG 6 19.552 29.639 20.587 46 HE ARG 6 HE ARG 6 22.386 30.082 21.229 47 HH11 ARG 6 HH11 ARG 6 20.248 28.530 18.800 48 HH12 ARG 6 HH12 ARG 6 21.451 28.841 17.559 49 HH21 ARG 6 HH21 ARG 6 23.616 30.575 19.475 50 HH22 ARG 6 HH22 ARG 6 23.247 29.848 17.909 51 H ARG 7 H ARG 7 22.658 28.135 25.753 52 HA ARG 7 HA ARG 7 23.637 30.064 27.737 53 HB2 ARG 7 HB2 ARG 7 22.309 28.009 28.298 54 HB3 ARG 7 HB3 ARG 7 23.732 27.027 27.881 55 HG2 ARG 7 HG2 ARG 7 25.027 28.258 29.682 56 HG3 ARG 7 HG3 ARG 7 23.562 29.178 30.040 57 HD2 ARG 7 HD2 ARG 7 23.558 27.469 31.649 58 HD3 ARG 7 HD3 ARG 7 22.404 26.939 30.414 59 HE ARG 7 HE ARG 7 25.198 25.968 30.163 60 HH11 ARG 7 HH11 ARG 7 21.999 25.161 31.416 61 HH12 ARG 7 HH12 ARG 7 22.426 23.470 31.595 62 HH21 ARG 7 HH21 ARG 7 25.611 23.815 30.344 63 HH22 ARG 7 HH22 ARG 7 24.458 22.739 31.089 64 H CYS 8 H CYS 8 25.178 27.636 25.650 65 HA CYS 8 HA CYS 8 27.861 27.881 26.642 66 HB2 CYS 8 HB2 CYS 8 26.848 26.142 25.044 67 HB3 CYS 8 HB3 CYS 8 26.914 27.375 23.793 68 H GLU 9 H GLU 9 26.149 29.775 24.129 69 HA GLU 9 HA GLU 9 28.294 31.468 23.433 70 HB2 GLU 9 HB2 GLU 9 25.292 31.855 23.425 71 HB3 GLU 9 HB3 GLU 9 26.413 33.069 22.779 72 HG2 GLU 9 HG2 GLU 9 27.358 31.520 21.204 73 HG3 GLU 9 HG3 GLU 9 26.485 30.145 21.880 74 H LEU 10 H LEU 10 26.102 31.823 26.267 75 HA LEU 10 HA LEU 10 27.488 34.331 26.982 76 HB2 LEU 10 HB2 LEU 10 25.927 34.644 28.720 77 HB3 LEU 10 HB3 LEU 10 25.109 34.268 27.217 78 HG LEU 10 HG LEU 10 24.921 31.851 28.208 79 HD11 LEU 10 HD11 LEU 10 26.325 32.159 30.260 80 HD12 LEU 10 HD12 LEU 10 25.251 33.472 30.767 81 HD13 LEU 10 HD13 LEU 10 24.651 31.809 30.671 82 HD21 LEU 10 HD21 LEU 10 23.021 33.295 27.790 83 HD22 LEU 10 HD22 LEU 10 22.819 32.465 29.338 84 HD23 LEU 10 HD23 LEU 10 23.321 34.167 29.311 85 H SER 11 H SER 11 27.527 30.949 27.968 86 HA SER 11 HA SER 11 29.021 31.431 30.411 87 HB2 SER 11 HB2 SER 11 27.462 29.499 29.958 88 HB3 SER 11 HB3 SER 11 28.736 28.779 28.969 89 HG SER 11 HG SER 11 28.451 28.552 31.519 90 H CYS 12 H CYS 12 29.969 30.465 27.070 91 HA CYS 12 HA CYS 12 32.825 30.517 27.725 92 HB2 CYS 12 HB2 CYS 12 31.336 30.604 25.084 93 HB3 CYS 12 HB3 CYS 12 33.083 30.485 25.246 94 H ARG 13 H ARG 13 30.419 32.932 26.652 95 HA ARG 13 HA ARG 13 32.418 34.983 25.996 96 HB2 ARG 13 HB2 ARG 13 30.183 35.195 25.152 97 HB3 ARG 13 HB3 ARG 13 29.495 35.254 26.784 98 HG2 ARG 13 HG2 ARG 13 30.452 37.431 27.193 99 HG3 ARG 13 HG3 ARG 13 31.486 37.305 25.756 100 HD2 ARG 13 HD2 ARG 13 29.608 38.800 25.342 101 HD3 ARG 13 HD3 ARG 13 29.557 37.396 24.281 102 HE ARG 13 HE ARG 13 27.880 37.613 26.777 103 HH11 ARG 13 HH11 ARG 13 27.913 36.748 23.320 104 HH12 ARG 13 HH12 ARG 13 26.153 36.656 23.359 105 HH21 ARG 13 HH21 ARG 13 25.801 37.170 26.660 106 HH22 ARG 13 HH22 ARG 13 25.039 36.834 25.089 107 H SER 14 H SER 14 30.946 33.923 28.995 108 HA SER 14 HA SER 14 32.047 35.913 30.706 109 HB2 SER 14 HB2 SER 14 31.482 33.019 31.421 110 HB3 SER 14 HB3 SER 14 31.582 34.401 32.519 111 HG SER 14 HG SER 14 29.602 33.909 30.519 112 H LEU 15 H LEU 15 33.721 33.542 28.908 113 HA LEU 15 HA LEU 15 36.221 33.883 30.521 114 HB2 LEU 15 HB2 LEU 15 35.629 31.833 28.354 115 HB3 LEU 15 HB3 LEU 15 37.034 31.892 29.403 116 HG LEU 15 HG LEU 15 34.182 31.294 30.299 117 HD11 LEU 15 HD11 LEU 15 35.186 29.503 28.934 118 HD12 LEU 15 HD12 LEU 15 36.601 29.468 30.008 119 HD13 LEU 15 HD13 LEU 15 34.998 29.008 30.621 120 HD21 LEU 15 HD21 LEU 15 36.809 31.187 31.855 121 HD22 LEU 15 HD22 LEU 15 35.478 32.333 32.131 122 HD23 LEU 15 HD23 LEU 15 35.233 30.613 32.439 123 H GLY 16 H GLY 16 34.681 35.338 27.979 124 HA2 GLY 16 HA2 GLY 16 35.411 36.744 26.317 125 HA3 GLY 16 HA3 GLY 16 37.092 36.379 26.717 126 H LEU 17 H LEU 17 34.734 33.849 25.885 127 HA LEU 17 HA LEU 17 36.112 33.379 23.274 128 HB2 LEU 17 HB2 LEU 17 35.273 31.390 25.409 129 HB3 LEU 17 HB3 LEU 17 35.860 30.937 23.815 130 HG LEU 17 HG LEU 17 37.435 32.485 25.872 131 HD11 LEU 17 HD11 LEU 17 37.709 29.572 25.121 132 HD12 LEU 17 HD12 LEU 17 38.768 30.479 26.213 133 HD13 LEU 17 HD13 LEU 17 37.085 30.226 26.663 134 HD21 LEU 17 HD21 LEU 17 39.414 32.006 24.479 135 HD22 LEU 17 HD22 LEU 17 38.393 31.178 23.297 136 HD23 LEU 17 HD23 LEU 17 38.233 32.929 23.547 137 H LEU 18 H LEU 18 35.025 32.214 21.701 138 HA LEU 18 HA LEU 18 32.195 32.742 21.346 139 HB2 LEU 18 HB2 LEU 18 33.733 32.719 19.439 140 HB3 LEU 18 HB3 LEU 18 34.255 31.088 19.845 141 HG LEU 18 HG LEU 18 31.980 30.224 19.324 142 HD11 LEU 18 HD11 LEU 18 30.397 31.618 18.088 143 HD12 LEU 18 HD12 LEU 18 30.646 32.291 19.704 144 HD13 LEU 18 HD13 LEU 18 31.447 33.035 18.300 145 HD21 LEU 18 HD21 LEU 18 33.767 30.198 17.637 146 HD22 LEU 18 HD22 LEU 18 32.172 30.432 16.895 147 HD23 LEU 18 HD23 LEU 18 33.275 31.813 17.094 148 H GLY 19 H GLY 19 30.549 31.480 21.979 149 HA2 GLY 19 HA2 GLY 19 30.972 28.785 23.124 150 HA3 GLY 19 HA3 GLY 19 29.434 29.635 22.962 151 H LYS 20 H LYS 20 31.308 27.150 21.783 152 HA LYS 20 HA LYS 20 29.961 26.941 19.140 153 HB2 LYS 20 HB2 LYS 20 32.461 27.265 19.206 154 HB3 LYS 20 HB3 LYS 20 32.603 25.854 20.250 155 HG2 LYS 20 HG2 LYS 20 33.187 25.090 18.098 156 HG3 LYS 20 HG3 LYS 20 31.564 24.475 18.375 157 HD2 LYS 20 HD2 LYS 20 30.914 26.828 17.160 158 HD3 LYS 20 HD3 LYS 20 32.554 26.618 16.506 159 HE2 LYS 20 HE2 LYS 20 31.774 24.162 16.027 160 HE3 LYS 20 HE3 LYS 20 30.142 24.778 16.310 161 HZ1 LYS 20 HZ1 LYS 20 30.611 24.887 13.984 162 HZ2 LYS 20 HZ2 LYS 20 30.613 26.439 14.535 163 HZ3 LYS 20 HZ3 LYS 20 32.036 25.693 14.195 164 H CYS 21 H CYS 21 28.667 25.191 18.775 165 HA CYS 21 HA CYS 21 28.677 22.933 20.747 166 HB2 CYS 21 HB2 CYS 21 26.535 23.882 20.708 167 HB3 CYS 21 HB3 CYS 21 26.524 24.039 18.943 168 H ILE 22 H ILE 22 29.404 21.015 20.144 169 HA ILE 22 HA ILE 22 29.962 20.405 17.290 170 HB ILE 22 HB ILE 22 30.392 18.800 19.823 171 HG12 ILE 22 HG12 ILE 22 32.293 20.180 17.865 172 HG13 ILE 22 HG13 ILE 22 31.908 20.726 19.498 173 HG21 ILE 22 HG21 ILE 22 31.121 18.056 16.948 174 HG22 ILE 22 HG22 ILE 22 31.521 17.133 18.415 175 HG23 ILE 22 HG23 ILE 22 29.853 17.269 17.913 176 HD11 ILE 22 HD11 ILE 22 34.062 19.669 19.534 177 HD12 ILE 22 HD12 ILE 22 32.927 18.623 20.413 178 HD13 ILE 22 HD13 ILE 22 33.454 18.214 18.758 179 H GLY 23 H GLY 23 28.054 18.716 19.812 180 HA2 GLY 23 HA2 GLY 23 25.628 18.695 18.186 181 HA3 GLY 23 HA3 GLY 23 26.396 17.102 18.321 182 H GLU 24 H GLU 24 27.306 17.124 20.912 183 HA GLU 24 HA GLU 24 24.989 17.720 22.746 184 HB2 GLU 24 HB2 GLU 24 27.211 15.646 22.988 185 HB3 GLU 24 HB3 GLU 24 26.059 16.030 24.260 186 HG2 GLU 24 HG2 GLU 24 24.210 15.158 23.006 187 HG3 GLU 24 HG3 GLU 24 25.196 14.990 21.545 188 H GLU 25 H GLU 25 28.485 17.955 22.148 189 HA GLU 25 HA GLU 25 29.059 19.124 24.742 190 HB2 GLU 25 HB2 GLU 25 30.467 17.411 23.581 191 HB3 GLU 25 HB3 GLU 25 30.805 18.589 22.321 192 HG2 GLU 25 HG2 GLU 25 32.700 18.600 23.675 193 HG3 GLU 25 HG3 GLU 25 31.852 20.074 24.113 194 H CYS 26 H CYS 26 29.299 21.143 25.282 195 HA CYS 26 HA CYS 26 29.388 23.388 23.346 196 HB2 CYS 26 HB2 CYS 26 27.877 23.762 25.176 197 HB3 CYS 26 HB3 CYS 26 29.024 23.094 26.339 198 H LYS 27 H LYS 27 31.384 24.050 22.704 199 HA LYS 27 HA LYS 27 33.660 23.937 24.626 200 HB2 LYS 27 HB2 LYS 27 33.841 24.075 21.608 201 HB3 LYS 27 HB3 LYS 27 35.125 23.757 22.788 202 HG2 LYS 27 HG2 LYS 27 33.497 21.727 23.479 203 HG3 LYS 27 HG3 LYS 27 32.893 21.949 21.827 204 HD2 LYS 27 HD2 LYS 27 35.688 21.346 22.781 205 HD3 LYS 27 HD3 LYS 27 34.590 20.274 21.887 206 HE2 LYS 27 HE2 LYS 27 34.720 21.775 19.918 207 HE3 LYS 27 HE3 LYS 27 35.781 22.879 20.804 208 HZ1 LYS 27 HZ1 LYS 27 37.530 21.580 20.426 209 HZ2 LYS 27 HZ2 LYS 27 36.731 20.147 20.718 210 HZ3 LYS 27 HZ3 LYS 27 36.638 20.882 19.256 211 H CYS 28 H CYS 28 35.117 25.550 24.717 212 HA CYS 28 HA CYS 28 34.178 28.301 23.936 213 HB2 CYS 28 HB2 CYS 28 35.934 27.531 26.261 214 HB3 CYS 28 HB3 CYS 28 35.333 29.126 25.832 215 H VAL 29 H VAL 29 35.283 29.189 22.374 216 HA VAL 29 HA VAL 29 38.115 28.462 21.816 217 HB VAL 29 HB VAL 29 37.555 28.016 19.450 218 HG11 VAL 29 HG11 VAL 29 36.047 26.120 21.280 219 HG12 VAL 29 HG12 VAL 29 36.754 25.766 19.694 220 HG13 VAL 29 HG13 VAL 29 37.812 26.140 21.067 221 HG21 VAL 29 HG21 VAL 29 35.407 29.182 19.241 222 HG22 VAL 29 HG22 VAL 29 35.263 27.493 18.756 223 HG23 VAL 29 HG23 VAL 29 34.640 28.011 20.337 224 HA PRO 30 HA PRO 30 38.483 32.688 20.495 225 HB2 PRO 30 HB2 PRO 30 39.786 31.679 17.967 226 HB3 PRO 30 HB3 PRO 30 40.335 32.978 19.075 227 HG2 PRO 30 HG2 PRO 30 41.489 30.530 19.182 228 HG3 PRO 30 HG3 PRO 30 41.054 31.377 20.705 229 HD2 PRO 30 HD2 PRO 30 39.523 29.188 19.272 230 HD3 PRO 30 HD3 PRO 30 39.903 29.353 21.011 231 H TYR 31 H TYR 31 37.359 34.222 19.267 232 HA TYR 31 HA TYR 31 35.212 33.371 17.480 233 HB2 TYR 31 HB2 TYR 31 36.340 36.130 18.060 234 HB3 TYR 31 HB3 TYR 31 34.907 35.815 17.106 235 HD1 TYR 31 HD1 TYR 31 32.767 35.166 18.163 236 HD2 TYR 31 HD2 TYR 31 36.308 35.866 20.498 237 HE1 TYR 31 HE1 TYR 31 31.377 35.386 20.223 238 HE2 TYR 31 HE2 TYR 31 34.935 36.089 22.549 239 HH TYR 31 HH TYR 31 32.813 36.477 23.296 240 H ASN 32 H ASN 32 35.004 33.751 15.279 241 HA ASN 32 HA ASN 32 37.505 33.504 13.698 242 HB2 ASN 32 HB2 ASN 32 34.576 32.944 13.054 243 HB3 ASN 32 HB3 ASN 32 35.886 32.779 11.894 244 HD21 ASN 32 HD21 ASN 32 35.363 29.393 12.982 245 HD22 ASN 32 HD22 ASN 32 34.604 30.614 11.968 Start of MODEL 4 1 H1 ALA 1 H1 ALA 1 19.370 14.134 23.645 2 H2 ALA 1 H2 ALA 1 20.262 15.313 24.374 3 H3 ALA 1 H3 ALA 1 20.855 14.511 23.054 4 HA ALA 1 HA ALA 1 19.181 15.376 21.660 5 HB1 ALA 1 HB1 ALA 1 18.263 16.869 24.154 6 HB2 ALA 1 HB2 ALA 1 17.630 17.123 22.511 7 HB3 ALA 1 HB3 ALA 1 17.393 15.570 23.307 8 H PHE 2 H PHE 2 19.126 17.698 20.812 9 HA PHE 2 HA PHE 2 21.585 18.674 20.217 10 HB2 PHE 2 HB2 PHE 2 19.059 20.331 20.538 11 HB3 PHE 2 HB3 PHE 2 20.493 20.843 19.669 12 HD1 PHE 2 HD1 PHE 2 17.455 18.794 19.510 13 HD2 PHE 2 HD2 PHE 2 21.162 19.772 17.527 14 HE1 PHE 2 HE1 PHE 2 16.641 17.701 17.439 15 HE2 PHE 2 HE2 PHE 2 20.325 18.704 15.441 16 HZ PHE 2 HZ PHE 2 18.069 17.660 15.402 17 H CYS 3 H CYS 3 23.106 20.082 20.864 18 HA CYS 3 HA CYS 3 23.622 20.599 23.515 19 HB2 CYS 3 HB2 CYS 3 25.361 22.107 22.679 20 HB3 CYS 3 HB3 CYS 3 25.295 20.624 21.727 21 H ASN 4 H ASN 4 23.478 22.327 24.984 22 HA ASN 4 HA ASN 4 21.525 24.414 24.552 23 HB2 ASN 4 HB2 ASN 4 21.975 23.040 26.659 24 HB3 ASN 4 HB3 ASN 4 23.451 23.994 26.871 25 HD21 ASN 4 HD21 ASN 4 20.703 25.550 28.801 26 HD22 ASN 4 HD22 ASN 4 21.431 23.936 28.787 27 H LEU 5 H LEU 5 22.918 25.013 22.536 28 HA LEU 5 HA LEU 5 25.359 26.432 22.709 29 HB2 LEU 5 HB2 LEU 5 24.136 25.574 20.682 30 HB3 LEU 5 HB3 LEU 5 23.061 26.952 20.773 31 HG LEU 5 HG LEU 5 26.094 27.218 20.555 32 HD11 LEU 5 HD11 LEU 5 25.260 25.866 18.657 33 HD12 LEU 5 HD12 LEU 5 24.078 27.136 18.263 34 HD13 LEU 5 HD13 LEU 5 25.826 27.446 18.136 35 HD21 LEU 5 HD21 LEU 5 23.790 29.117 19.861 36 HD22 LEU 5 HD22 LEU 5 25.043 29.364 21.096 37 HD23 LEU 5 HD23 LEU 5 25.483 29.389 19.412 38 H ARG 6 H ARG 6 22.001 27.536 23.146 39 HA ARG 6 HA ARG 6 22.457 30.316 23.437 40 HB2 ARG 6 HB2 ARG 6 20.284 29.194 23.092 41 HB3 ARG 6 HB3 ARG 6 20.372 28.459 24.689 42 HG2 ARG 6 HG2 ARG 6 20.175 30.697 25.745 43 HG3 ARG 6 HG3 ARG 6 20.234 31.459 24.149 44 HD2 ARG 6 HD2 ARG 6 17.933 31.376 24.834 45 HD3 ARG 6 HD3 ARG 6 18.181 30.240 23.507 46 HE ARG 6 HE ARG 6 18.370 29.057 26.206 47 HH11 ARG 6 HH11 ARG 6 16.265 29.599 23.429 48 HH12 ARG 6 HH12 ARG 6 15.146 28.359 23.922 49 HH21 ARG 6 HH21 ARG 6 16.659 27.762 26.955 50 HH22 ARG 6 HH22 ARG 6 15.299 27.456 25.902 51 H ARG 7 H ARG 7 22.808 27.789 25.974 52 HA ARG 7 HA ARG 7 23.576 29.835 27.973 53 HB2 ARG 7 HB2 ARG 7 22.500 27.598 28.542 54 HB3 ARG 7 HB3 ARG 7 24.038 26.826 28.116 55 HG2 ARG 7 HG2 ARG 7 25.127 28.409 29.836 56 HG3 ARG 7 HG3 ARG 7 23.496 28.873 30.325 57 HD2 ARG 7 HD2 ARG 7 24.679 26.062 30.394 58 HD3 ARG 7 HD3 ARG 7 24.532 27.166 31.773 59 HE ARG 7 HE ARG 7 21.938 26.791 30.635 60 HH11 ARG 7 HH11 ARG 7 24.270 25.068 32.643 61 HH12 ARG 7 HH12 ARG 7 22.988 24.164 33.431 62 HH21 ARG 7 HH21 ARG 7 20.453 25.511 31.567 63 HH22 ARG 7 HH22 ARG 7 20.903 24.386 32.840 64 H CYS 8 H CYS 8 25.223 27.571 25.807 65 HA CYS 8 HA CYS 8 27.887 27.898 26.792 66 HB2 CYS 8 HB2 CYS 8 26.879 26.092 25.281 67 HB3 CYS 8 HB3 CYS 8 26.889 27.277 23.986 68 H GLU 9 H GLU 9 26.228 29.774 24.181 69 HA GLU 9 HA GLU 9 28.538 31.226 23.465 70 HB2 GLU 9 HB2 GLU 9 27.078 32.846 22.486 71 HB3 GLU 9 HB3 GLU 9 26.428 31.224 22.183 72 HG2 GLU 9 HG2 GLU 9 24.722 31.569 23.894 73 HG3 GLU 9 HG3 GLU 9 25.382 33.157 24.291 74 H LEU 10 H LEU 10 26.358 31.748 26.232 75 HA LEU 10 HA LEU 10 27.720 34.277 26.911 76 HB2 LEU 10 HB2 LEU 10 25.977 34.853 28.207 77 HB3 LEU 10 HB3 LEU 10 25.208 33.875 26.992 78 HG LEU 10 HG LEU 10 25.493 31.946 28.849 79 HD11 LEU 10 HD11 LEU 10 25.128 32.843 31.113 80 HD12 LEU 10 HD12 LEU 10 26.693 33.377 30.510 81 HD13 LEU 10 HD13 LEU 10 25.323 34.501 30.510 82 HD21 LEU 10 HD21 LEU 10 23.366 32.696 27.906 83 HD22 LEU 10 HD22 LEU 10 23.241 32.491 29.655 84 HD23 LEU 10 HD23 LEU 10 23.384 34.126 28.964 85 H SER 11 H SER 11 27.549 30.969 28.077 86 HA SER 11 HA SER 11 29.046 31.235 30.517 87 HB2 SER 11 HB2 SER 11 27.658 29.303 30.068 88 HB3 SER 11 HB3 SER 11 28.535 28.960 28.571 89 HG SER 11 HG SER 11 29.536 28.760 31.229 90 H CYS 12 H CYS 12 30.019 30.637 27.126 91 HA CYS 12 HA CYS 12 32.877 30.726 27.737 92 HB2 CYS 12 HB2 CYS 12 31.313 30.841 25.127 93 HB3 CYS 12 HB3 CYS 12 33.061 30.666 25.262 94 H ARG 13 H ARG 13 30.389 33.089 26.841 95 HA ARG 13 HA ARG 13 32.239 35.231 26.112 96 HB2 ARG 13 HB2 ARG 13 29.869 35.402 25.551 97 HB3 ARG 13 HB3 ARG 13 29.440 35.406 27.268 98 HG2 ARG 13 HG2 ARG 13 30.639 37.559 27.562 99 HG3 ARG 13 HG3 ARG 13 31.095 37.508 25.849 100 HD2 ARG 13 HD2 ARG 13 29.243 38.999 26.154 101 HD3 ARG 13 HD3 ARG 13 28.675 37.574 25.258 102 HE ARG 13 HE ARG 13 28.276 37.297 28.131 103 HH11 ARG 13 HH11 ARG 13 26.853 38.980 25.377 104 HH12 ARG 13 HH12 ARG 13 25.244 38.873 26.097 105 HH21 ARG 13 HH21 ARG 13 26.218 37.451 29.014 106 HH22 ARG 13 HH22 ARG 13 24.912 37.994 27.959 107 H SER 14 H SER 14 30.998 34.112 29.260 108 HA SER 14 HA SER 14 32.092 36.101 30.881 109 HB2 SER 14 HB2 SER 14 31.891 33.124 31.461 110 HB3 SER 14 HB3 SER 14 32.130 34.390 32.675 111 HG SER 14 HG SER 14 29.886 33.626 32.245 112 H LEU 15 H LEU 15 33.774 33.602 29.114 113 HA LEU 15 HA LEU 15 36.394 34.138 30.413 114 HB2 LEU 15 HB2 LEU 15 35.692 32.055 28.319 115 HB3 LEU 15 HB3 LEU 15 37.153 32.149 29.291 116 HG LEU 15 HG LEU 15 34.358 31.485 30.311 117 HD11 LEU 15 HD11 LEU 15 35.294 29.248 30.668 118 HD12 LEU 15 HD12 LEU 15 35.424 29.708 28.965 119 HD13 LEU 15 HD13 LEU 15 36.860 29.770 30.014 120 HD21 LEU 15 HD21 LEU 15 35.507 30.909 32.443 121 HD22 LEU 15 HD22 LEU 15 37.032 31.557 31.797 122 HD23 LEU 15 HD23 LEU 15 35.645 32.632 32.084 123 H GLY 16 H GLY 16 34.662 35.535 27.934 124 HA2 GLY 16 HA2 GLY 16 35.313 36.975 26.258 125 HA3 GLY 16 HA3 GLY 16 37.009 36.613 26.584 126 H LEU 17 H LEU 17 34.727 34.009 25.858 127 HA LEU 17 HA LEU 17 36.043 33.554 23.207 128 HB2 LEU 17 HB2 LEU 17 35.206 31.537 25.320 129 HB3 LEU 17 HB3 LEU 17 35.852 31.130 23.738 130 HG LEU 17 HG LEU 17 37.290 32.502 26.001 131 HD11 LEU 17 HD11 LEU 17 37.695 29.777 24.753 132 HD12 LEU 17 HD12 LEU 17 38.762 30.513 25.957 133 HD13 LEU 17 HD13 LEU 17 37.098 30.147 26.397 134 HD21 LEU 17 HD21 LEU 17 39.356 32.345 24.613 135 HD22 LEU 17 HD22 LEU 17 38.382 31.754 23.251 136 HD23 LEU 17 HD23 LEU 17 38.173 33.408 23.863 137 H LEU 18 H LEU 18 34.916 32.237 21.698 138 HA LEU 18 HA LEU 18 32.004 32.685 21.541 139 HB2 LEU 18 HB2 LEU 18 33.992 31.250 19.732 140 HB3 LEU 18 HB3 LEU 18 32.266 31.392 19.395 141 HG LEU 18 HG LEU 18 34.184 33.747 19.629 142 HD11 LEU 18 HD11 LEU 18 32.870 32.559 17.154 143 HD12 LEU 18 HD12 LEU 18 34.004 33.918 17.222 144 HD13 LEU 18 HD13 LEU 18 34.572 32.295 17.629 145 HD21 LEU 18 HD21 LEU 18 31.242 33.543 18.835 146 HD22 LEU 18 HD22 LEU 18 31.925 34.461 20.196 147 HD23 LEU 18 HD23 LEU 18 32.242 34.968 18.532 148 H GLY 19 H GLY 19 30.471 31.107 21.691 149 HA2 GLY 19 HA2 GLY 19 31.205 28.474 22.912 150 HA3 GLY 19 HA3 GLY 19 29.597 29.195 22.860 151 H LYS 20 H LYS 20 31.623 26.974 21.459 152 HA LYS 20 HA LYS 20 29.990 26.714 18.925 153 HB2 LYS 20 HB2 LYS 20 32.931 26.352 19.440 154 HB3 LYS 20 HB3 LYS 20 32.167 25.191 18.390 155 HG2 LYS 20 HG2 LYS 20 33.128 26.919 17.062 156 HG3 LYS 20 HG3 LYS 20 31.367 26.928 16.880 157 HD2 LYS 20 HD2 LYS 20 31.164 28.921 18.254 158 HD3 LYS 20 HD3 LYS 20 32.850 28.802 18.764 159 HE2 LYS 20 HE2 LYS 20 32.827 30.491 17.112 160 HE3 LYS 20 HE3 LYS 20 33.532 29.074 16.327 161 HZ1 LYS 20 HZ1 LYS 20 31.884 30.170 14.939 162 HZ2 LYS 20 HZ2 LYS 20 31.326 28.671 15.300 163 HZ3 LYS 20 HZ3 LYS 20 30.734 30.022 16.084 164 H CYS 21 H CYS 21 28.807 24.935 18.681 165 HA CYS 21 HA CYS 21 28.902 22.843 20.711 166 HB2 CYS 21 HB2 CYS 21 27.239 23.070 18.216 167 HB3 CYS 21 HB3 CYS 21 27.188 21.716 19.342 168 H ILE 22 H ILE 22 29.630 20.862 20.623 169 HA ILE 22 HA ILE 22 31.581 20.049 18.529 170 HB ILE 22 HB ILE 22 31.007 18.991 21.320 171 HG12 ILE 22 HG12 ILE 22 31.939 21.204 21.563 172 HG13 ILE 22 HG13 ILE 22 33.131 20.008 22.029 173 HG21 ILE 22 HG21 ILE 22 31.984 17.185 20.108 174 HG22 ILE 22 HG22 ILE 22 33.214 18.246 19.381 175 HG23 ILE 22 HG23 ILE 22 33.253 17.864 21.116 176 HD11 ILE 22 HD11 ILE 22 33.083 21.544 19.393 177 HD12 ILE 22 HD12 ILE 22 34.188 21.798 20.752 178 HD13 ILE 22 HD13 ILE 22 34.284 20.298 19.822 179 H GLY 23 H GLY 23 28.365 19.636 19.360 180 HA2 GLY 23 HA2 GLY 23 26.748 18.232 18.303 181 HA3 GLY 23 HA3 GLY 23 28.004 17.060 17.899 182 H GLU 24 H GLU 24 25.446 17.573 19.904 183 HA GLU 24 HA GLU 24 24.651 16.891 21.855 184 HB2 GLU 24 HB2 GLU 24 26.540 14.673 22.308 185 HB3 GLU 24 HB3 GLU 24 24.798 14.715 22.349 186 HG2 GLU 24 HG2 GLU 24 26.624 14.344 19.956 187 HG3 GLU 24 HG3 GLU 24 25.512 13.208 20.654 188 H GLU 25 H GLU 25 27.232 18.599 21.815 189 HA GLU 25 HA GLU 25 27.692 19.074 24.656 190 HB2 GLU 25 HB2 GLU 25 29.043 17.065 24.278 191 HB3 GLU 25 HB3 GLU 25 29.743 17.750 22.826 192 HG2 GLU 25 HG2 GLU 25 31.338 17.702 24.659 193 HG3 GLU 25 HG3 GLU 25 31.031 19.354 24.138 194 H CYS 26 H CYS 26 29.254 21.028 24.886 195 HA CYS 26 HA CYS 26 29.873 22.541 22.461 196 HB2 CYS 26 HB2 CYS 26 27.500 23.112 22.924 197 HB3 CYS 26 HB3 CYS 26 27.962 23.688 24.525 198 H LYS 27 H LYS 27 31.476 24.053 22.657 199 HA LYS 27 HA LYS 27 32.902 24.286 25.281 200 HB2 LYS 27 HB2 LYS 27 33.662 22.796 22.838 201 HB3 LYS 27 HB3 LYS 27 34.874 23.967 23.298 202 HG2 LYS 27 HG2 LYS 27 35.352 21.783 24.188 203 HG3 LYS 27 HG3 LYS 27 35.173 22.961 25.472 204 HD2 LYS 27 HD2 LYS 27 32.742 21.320 24.766 205 HD3 LYS 27 HD3 LYS 27 34.103 20.493 25.496 206 HE2 LYS 27 HE2 LYS 27 34.117 22.138 27.375 207 HE3 LYS 27 HE3 LYS 27 32.661 22.891 26.708 208 HZ1 LYS 27 HZ1 LYS 27 32.124 21.204 28.445 209 HZ2 LYS 27 HZ2 LYS 27 31.495 20.781 26.999 210 HZ3 LYS 27 HZ3 LYS 27 32.859 20.052 27.528 211 H CYS 28 H CYS 28 34.626 25.785 25.344 212 HA CYS 28 HA CYS 28 33.950 28.367 24.044 213 HB2 CYS 28 HB2 CYS 28 35.789 27.762 26.356 214 HB3 CYS 28 HB3 CYS 28 35.153 29.326 25.830 215 H VAL 29 H VAL 29 35.144 29.262 22.493 216 HA VAL 29 HA VAL 29 37.963 28.438 22.033 217 HB VAL 29 HB VAL 29 37.361 28.117 19.570 218 HG11 VAL 29 HG11 VAL 29 37.979 26.250 21.082 219 HG12 VAL 29 HG12 VAL 29 36.260 26.016 21.473 220 HG13 VAL 29 HG13 VAL 29 36.842 25.779 19.813 221 HG21 VAL 29 HG21 VAL 29 35.060 29.049 19.682 222 HG22 VAL 29 HG22 VAL 29 35.132 27.422 18.991 223 HG23 VAL 29 HG23 VAL 29 34.558 27.651 20.662 224 HA PRO 30 HA PRO 30 38.463 32.643 20.839 225 HB2 PRO 30 HB2 PRO 30 40.633 32.565 19.141 226 HB3 PRO 30 HB3 PRO 30 40.714 32.267 20.898 227 HG2 PRO 30 HG2 PRO 30 40.615 30.257 18.644 228 HG3 PRO 30 HG3 PRO 30 41.653 30.268 20.105 229 HD2 PRO 30 HD2 PRO 30 39.370 28.782 19.898 230 HD3 PRO 30 HD3 PRO 30 39.954 29.433 21.451 231 H TYR 31 H TYR 31 39.034 34.033 18.711 232 HA TYR 31 HA TYR 31 36.693 33.631 16.943 233 HB2 TYR 31 HB2 TYR 31 38.446 36.038 17.526 234 HB3 TYR 31 HB3 TYR 31 37.115 36.019 16.376 235 HD1 TYR 31 HD1 TYR 31 34.953 36.603 17.070 236 HD2 TYR 31 HD2 TYR 31 37.836 35.407 20.044 237 HE1 TYR 31 HE1 TYR 31 33.317 37.127 18.867 238 HE2 TYR 31 HE2 TYR 31 36.160 35.847 21.827 239 HH TYR 31 HH TYR 31 32.809 36.783 21.145 240 H ASN 32 H ASN 32 38.039 31.775 16.014 241 HA ASN 32 HA ASN 32 40.295 32.131 14.341 242 HB2 ASN 32 HB2 ASN 32 38.094 30.032 14.119 243 HB3 ASN 32 HB3 ASN 32 39.699 29.931 13.417 244 HD21 ASN 32 HD21 ASN 32 41.004 28.428 16.310 245 HD22 ASN 32 HD22 ASN 32 41.084 28.639 14.558 Start of MODEL 5 1 H1 ALA 1 H1 ALA 1 15.924 15.981 24.687 2 H2 ALA 1 H2 ALA 1 17.566 15.813 24.680 3 H3 ALA 1 H3 ALA 1 16.714 15.675 23.282 4 HA ALA 1 HA ALA 1 16.107 17.962 23.324 5 HB1 ALA 1 HB1 ALA 1 17.801 18.127 25.852 6 HB2 ALA 1 HB2 ALA 1 16.886 19.442 25.081 7 HB3 ALA 1 HB3 ALA 1 16.024 18.092 25.840 8 H PHE 2 H PHE 2 17.436 19.550 22.293 9 HA PHE 2 HA PHE 2 19.967 18.721 21.201 10 HB2 PHE 2 HB2 PHE 2 18.842 21.532 21.477 11 HB3 PHE 2 HB3 PHE 2 20.100 21.021 20.364 12 HD1 PHE 2 HD1 PHE 2 16.599 21.555 20.741 13 HD2 PHE 2 HD2 PHE 2 19.471 19.106 18.672 14 HE1 PHE 2 HE1 PHE 2 14.859 20.884 19.127 15 HE2 PHE 2 HE2 PHE 2 17.726 18.459 17.017 16 HZ PHE 2 HZ PHE 2 15.419 19.360 17.240 17 H CYS 3 H CYS 3 22.018 20.023 21.413 18 HA CYS 3 HA CYS 3 22.992 20.171 24.115 19 HB2 CYS 3 HB2 CYS 3 24.999 21.134 23.063 20 HB3 CYS 3 HB3 CYS 3 24.441 19.667 22.260 21 H ASN 4 H ASN 4 23.720 21.995 25.298 22 HA ASN 4 HA ASN 4 21.752 24.112 25.367 23 HB2 ASN 4 HB2 ASN 4 24.212 23.585 27.042 24 HB3 ASN 4 HB3 ASN 4 22.967 24.765 27.442 25 HD21 ASN 4 HD21 ASN 4 22.393 21.471 29.226 26 HD22 ASN 4 HD22 ASN 4 23.884 22.386 28.937 27 H LEU 5 H LEU 5 22.753 24.705 22.970 28 HA LEU 5 HA LEU 5 25.099 26.263 22.796 29 HB2 LEU 5 HB2 LEU 5 24.003 25.343 20.839 30 HB3 LEU 5 HB3 LEU 5 22.560 26.318 21.144 31 HG LEU 5 HG LEU 5 23.787 28.390 20.657 32 HD11 LEU 5 HD11 LEU 5 26.044 28.279 19.639 33 HD12 LEU 5 HD12 LEU 5 26.086 27.767 21.329 34 HD13 LEU 5 HD13 LEU 5 26.130 26.548 20.027 35 HD21 LEU 5 HD21 LEU 5 24.231 26.323 18.485 36 HD22 LEU 5 HD22 LEU 5 22.672 27.081 18.834 37 HD23 LEU 5 HD23 LEU 5 24.034 28.073 18.272 38 H ARG 6 H ARG 6 21.749 27.396 23.452 39 HA ARG 6 HA ARG 6 22.436 30.200 23.371 40 HB2 ARG 6 HB2 ARG 6 20.049 28.578 24.043 41 HB3 ARG 6 HB3 ARG 6 20.200 29.994 25.065 42 HG2 ARG 6 HG2 ARG 6 18.855 30.420 23.042 43 HG3 ARG 6 HG3 ARG 6 20.233 31.502 23.210 44 HD2 ARG 6 HD2 ARG 6 19.929 30.812 20.885 45 HD3 ARG 6 HD3 ARG 6 21.484 30.241 21.498 46 HE ARG 6 HE ARG 6 19.720 28.151 21.990 47 HH11 ARG 6 HH11 ARG 6 21.064 29.684 19.114 48 HH12 ARG 6 HH12 ARG 6 20.460 28.399 18.072 49 HH21 ARG 6 HH21 ARG 6 18.802 26.749 20.556 50 HH22 ARG 6 HH22 ARG 6 19.322 26.740 18.870 51 H ARG 7 H ARG 7 22.588 27.933 25.996 52 HA ARG 7 HA ARG 7 23.498 30.048 27.869 53 HB2 ARG 7 HB2 ARG 7 22.238 28.037 28.594 54 HB3 ARG 7 HB3 ARG 7 23.680 27.048 28.267 55 HG2 ARG 7 HG2 ARG 7 24.953 28.346 29.961 56 HG3 ARG 7 HG3 ARG 7 23.591 29.457 30.149 57 HD2 ARG 7 HD2 ARG 7 23.566 27.933 32.006 58 HD3 ARG 7 HD3 ARG 7 22.174 27.595 30.965 59 HE ARG 7 HE ARG 7 24.510 25.965 30.334 60 HH11 ARG 7 HH11 ARG 7 21.690 26.093 32.497 61 HH12 ARG 7 HH12 ARG 7 21.803 24.356 32.775 62 HH21 ARG 7 HH21 ARG 7 24.466 23.758 30.835 63 HH22 ARG 7 HH22 ARG 7 23.270 23.180 32.011 64 H CYS 8 H CYS 8 25.129 27.536 25.942 65 HA CYS 8 HA CYS 8 27.806 27.955 26.825 66 HB2 CYS 8 HB2 CYS 8 26.986 26.057 25.457 67 HB3 CYS 8 HB3 CYS 8 26.577 27.169 24.151 68 H GLU 9 H GLU 9 26.098 29.621 24.120 69 HA GLU 9 HA GLU 9 28.346 31.191 23.379 70 HB2 GLU 9 HB2 GLU 9 26.878 32.414 22.011 71 HB3 GLU 9 HB3 GLU 9 26.330 30.738 21.986 72 HG2 GLU 9 HG2 GLU 9 24.581 31.363 23.665 73 HG3 GLU 9 HG3 GLU 9 25.090 33.055 23.566 74 H LEU 10 H LEU 10 26.203 31.678 26.094 75 HA LEU 10 HA LEU 10 27.329 34.409 26.524 76 HB2 LEU 10 HB2 LEU 10 25.563 34.788 28.111 77 HB3 LEU 10 HB3 LEU 10 24.984 34.365 26.522 78 HG LEU 10 HG LEU 10 24.520 32.015 27.436 79 HD11 LEU 10 HD11 LEU 10 23.953 31.974 29.891 80 HD12 LEU 10 HD12 LEU 10 25.679 32.033 29.613 81 HD13 LEU 10 HD13 LEU 10 24.816 33.508 30.086 82 HD21 LEU 10 HD21 LEU 10 22.796 33.718 26.952 83 HD22 LEU 10 HD22 LEU 10 22.362 32.737 28.349 84 HD23 LEU 10 HD23 LEU 10 22.994 34.385 28.581 85 H SER 11 H SER 11 27.368 31.178 27.936 86 HA SER 11 HA SER 11 28.571 31.936 30.450 87 HB2 SER 11 HB2 SER 11 27.330 29.839 30.176 88 HB3 SER 11 HB3 SER 11 28.506 29.270 28.973 89 HG SER 11 HG SER 11 29.606 28.530 30.589 90 H CYS 12 H CYS 12 29.930 30.543 27.424 91 HA CYS 12 HA CYS 12 32.674 30.868 28.302 92 HB2 CYS 12 HB2 CYS 12 31.339 30.209 25.664 93 HB3 CYS 12 HB3 CYS 12 33.079 30.402 25.824 94 H ARG 13 H ARG 13 30.370 33.039 26.791 95 HA ARG 13 HA ARG 13 32.273 34.981 25.789 96 HB2 ARG 13 HB2 ARG 13 29.816 34.961 25.307 97 HB3 ARG 13 HB3 ARG 13 29.508 35.531 26.949 98 HG2 ARG 13 HG2 ARG 13 30.934 37.568 26.391 99 HG3 ARG 13 HG3 ARG 13 31.015 36.986 24.724 100 HD2 ARG 13 HD2 ARG 13 28.541 37.779 26.289 101 HD3 ARG 13 HD3 ARG 13 29.281 38.673 24.962 102 HE ARG 13 HE ARG 13 28.735 36.487 23.592 103 HH11 ARG 13 HH11 ARG 13 26.578 38.012 25.946 104 HH12 ARG 13 HH12 ARG 13 25.222 37.055 25.395 105 HH21 ARG 13 HH21 ARG 13 26.884 35.619 22.764 106 HH22 ARG 13 HH22 ARG 13 25.367 35.818 23.641 107 H SER 14 H SER 14 30.831 34.465 28.966 108 HA SER 14 HA SER 14 32.078 36.687 30.241 109 HB2 SER 14 HB2 SER 14 30.059 35.376 30.957 110 HB3 SER 14 HB3 SER 14 31.143 34.105 31.514 111 HG SER 14 HG SER 14 30.384 35.685 33.035 112 H LEU 15 H LEU 15 33.376 33.621 29.280 113 HA LEU 15 HA LEU 15 35.881 33.920 30.839 114 HB2 LEU 15 HB2 LEU 15 35.085 31.782 28.830 115 HB3 LEU 15 HB3 LEU 15 36.464 31.738 29.919 116 HG LEU 15 HG LEU 15 33.554 31.703 30.813 117 HD11 LEU 15 HD11 LEU 15 35.560 29.433 30.665 118 HD12 LEU 15 HD12 LEU 15 33.891 29.341 31.274 119 HD13 LEU 15 HD13 LEU 15 34.189 29.668 29.560 120 HD21 LEU 15 HD21 LEU 15 35.069 32.624 32.544 121 HD22 LEU 15 HD22 LEU 15 34.494 31.019 32.999 122 HD23 LEU 15 HD23 LEU 15 36.144 31.213 32.359 123 H GLY 16 H GLY 16 34.725 35.353 28.077 124 HA2 GLY 16 HA2 GLY 16 35.794 36.523 26.401 125 HA3 GLY 16 HA3 GLY 16 37.356 36.048 27.068 126 H LEU 17 H LEU 17 35.179 33.433 26.279 127 HA LEU 17 HA LEU 17 36.738 32.802 23.799 128 HB2 LEU 17 HB2 LEU 17 35.098 30.901 25.487 129 HB3 LEU 17 HB3 LEU 17 36.157 30.486 24.151 130 HG LEU 17 HG LEU 17 36.903 31.491 26.873 131 HD11 LEU 17 HD11 LEU 17 37.425 28.809 25.623 132 HD12 LEU 17 HD12 LEU 17 37.976 29.342 27.213 133 HD13 LEU 17 HD13 LEU 17 36.247 29.184 26.918 134 HD21 LEU 17 HD21 LEU 17 38.560 32.337 25.175 135 HD22 LEU 17 HD22 LEU 17 39.272 31.175 26.294 136 HD23 LEU 17 HD23 LEU 17 38.824 30.648 24.667 137 H LEU 18 H LEU 18 35.574 32.018 21.972 138 HA LEU 18 HA LEU 18 32.755 32.918 21.749 139 HB2 LEU 18 HB2 LEU 18 34.563 31.433 19.799 140 HB3 LEU 18 HB3 LEU 18 32.910 31.920 19.489 141 HG LEU 18 HG LEU 18 34.244 33.435 18.360 142 HD11 LEU 18 HD11 LEU 18 33.490 34.952 20.870 143 HD12 LEU 18 HD12 LEU 18 33.663 35.579 19.222 144 HD13 LEU 18 HD13 LEU 18 32.346 34.459 19.600 145 HD21 LEU 18 HD21 LEU 18 36.073 34.697 19.171 146 HD22 LEU 18 HD22 LEU 18 35.808 34.192 20.845 147 HD23 LEU 18 HD23 LEU 18 36.377 33.016 19.633 148 H GLY 19 H GLY 19 31.032 31.586 21.813 149 HA2 GLY 19 HA2 GLY 19 31.473 28.748 22.728 150 HA3 GLY 19 HA3 GLY 19 30.156 29.772 23.280 151 H LYS 20 H LYS 20 30.850 27.262 21.358 152 HA LYS 20 HA LYS 20 28.353 27.415 19.796 153 HB2 LYS 20 HB2 LYS 20 31.088 26.880 18.567 154 HB3 LYS 20 HB3 LYS 20 29.576 26.460 17.781 155 HG2 LYS 20 HG2 LYS 20 30.471 29.284 18.462 156 HG3 LYS 20 HG3 LYS 20 30.507 28.512 16.882 157 HD2 LYS 20 HD2 LYS 20 27.998 28.284 16.957 158 HD3 LYS 20 HD3 LYS 20 28.009 29.199 18.476 159 HE2 LYS 20 HE2 LYS 20 29.242 31.046 17.235 160 HE3 LYS 20 HE3 LYS 20 28.927 30.159 15.737 161 HZ1 LYS 20 HZ1 LYS 20 27.224 31.850 16.132 162 HZ2 LYS 20 HZ2 LYS 20 26.511 30.385 16.259 163 HZ3 LYS 20 HZ3 LYS 20 26.878 31.226 17.609 164 H CYS 21 H CYS 21 27.945 25.178 18.768 165 HA CYS 21 HA CYS 21 28.709 23.050 20.742 166 HB2 CYS 21 HB2 CYS 21 26.416 23.655 21.034 167 HB3 CYS 21 HB3 CYS 21 26.110 23.606 19.298 168 H ILE 22 H ILE 22 29.370 21.064 19.990 169 HA ILE 22 HA ILE 22 29.951 20.836 17.077 170 HB ILE 22 HB ILE 22 30.759 19.117 19.431 171 HG12 ILE 22 HG12 ILE 22 32.291 20.893 17.482 172 HG13 ILE 22 HG13 ILE 22 31.935 21.277 19.167 173 HG21 ILE 22 HG21 ILE 22 32.052 17.750 17.843 174 HG22 ILE 22 HG22 ILE 22 30.364 17.654 17.424 175 HG23 ILE 22 HG23 ILE 22 31.437 18.706 16.476 176 HD11 ILE 22 HD11 ILE 22 33.336 19.318 19.873 177 HD12 ILE 22 HD12 ILE 22 33.800 19.088 18.167 178 HD13 ILE 22 HD13 ILE 22 34.227 20.581 18.991 179 H GLY 23 H GLY 23 27.937 19.179 19.519 180 HA2 GLY 23 HA2 GLY 23 25.719 18.871 17.816 181 HA3 GLY 23 HA3 GLY 23 26.631 17.352 17.729 182 H GLU 24 H GLU 24 27.506 17.288 20.491 183 HA GLU 24 HA GLU 24 24.943 17.142 22.043 184 HB2 GLU 24 HB2 GLU 24 27.509 15.511 22.321 185 HB3 GLU 24 HB3 GLU 24 26.109 15.451 23.397 186 HG2 GLU 24 HG2 GLU 24 25.778 13.625 22.023 187 HG3 GLU 24 HG3 GLU 24 24.695 14.824 21.361 188 H GLU 25 H GLU 25 28.315 18.255 22.061 189 HA GLU 25 HA GLU 25 27.967 19.456 24.777 190 HB2 GLU 25 HB2 GLU 25 30.481 18.534 23.360 191 HB3 GLU 25 HB3 GLU 25 30.381 19.124 25.009 192 HG2 GLU 25 HG2 GLU 25 29.147 16.536 23.950 193 HG3 GLU 25 HG3 GLU 25 30.626 16.675 24.868 194 H CYS 26 H CYS 26 29.033 21.370 25.275 195 HA CYS 26 HA CYS 26 29.185 23.457 23.197 196 HB2 CYS 26 HB2 CYS 26 28.129 23.926 25.342 197 HB3 CYS 26 HB3 CYS 26 29.525 23.310 26.210 198 H LYS 27 H LYS 27 31.100 24.329 22.387 199 HA LYS 27 HA LYS 27 33.699 23.570 23.646 200 HB2 LYS 27 HB2 LYS 27 32.779 22.801 20.980 201 HB3 LYS 27 HB3 LYS 27 34.192 23.831 20.874 202 HG2 LYS 27 HG2 LYS 27 34.917 21.575 20.904 203 HG3 LYS 27 HG3 LYS 27 35.448 22.333 22.385 204 HD2 LYS 27 HD2 LYS 27 32.829 20.894 22.610 205 HD3 LYS 27 HD3 LYS 27 34.197 19.869 22.166 206 HE2 LYS 27 HE2 LYS 27 35.502 20.635 24.069 207 HE3 LYS 27 HE3 LYS 27 34.231 21.772 24.528 208 HZ1 LYS 27 HZ1 LYS 27 34.289 19.636 25.794 209 HZ2 LYS 27 HZ2 LYS 27 32.847 20.022 25.218 210 HZ3 LYS 27 HZ3 LYS 27 33.733 18.832 24.475 211 H CYS 28 H CYS 28 35.112 25.088 23.925 212 HA CYS 28 HA CYS 28 34.502 27.901 23.051 213 HB2 CYS 28 HB2 CYS 28 35.054 26.933 25.835 214 HB3 CYS 28 HB3 CYS 28 34.828 28.603 25.288 215 H VAL 29 H VAL 29 36.040 29.037 22.299 216 HA VAL 29 HA VAL 29 38.894 28.544 22.853 217 HB VAL 29 HB VAL 29 39.398 28.559 20.396 218 HG11 VAL 29 HG11 VAL 29 37.812 26.131 21.279 219 HG12 VAL 29 HG12 VAL 29 39.087 26.200 20.049 220 HG13 VAL 29 HG13 VAL 29 39.489 26.489 21.752 221 HG21 VAL 29 HG21 VAL 29 37.220 29.382 19.529 222 HG22 VAL 29 HG22 VAL 29 37.745 27.875 18.769 223 HG23 VAL 29 HG23 VAL 29 36.478 27.837 20.002 224 HA PRO 30 HA PRO 30 38.900 32.937 22.545 225 HB2 PRO 30 HB2 PRO 30 41.508 33.567 22.037 226 HB3 PRO 30 HB3 PRO 30 40.982 32.765 23.559 227 HG2 PRO 30 HG2 PRO 30 42.114 31.460 21.080 228 HG3 PRO 30 HG3 PRO 30 42.657 31.234 22.785 229 HD2 PRO 30 HD2 PRO 30 40.926 29.520 21.548 230 HD3 PRO 30 HD3 PRO 30 40.756 29.927 23.270 231 H TYR 31 H TYR 31 39.365 34.845 21.174 232 HA TYR 31 HA TYR 31 38.725 34.589 18.384 233 HB2 TYR 31 HB2 TYR 31 39.952 36.857 20.004 234 HB3 TYR 31 HB3 TYR 31 39.502 36.977 18.319 235 HD1 TYR 31 HD1 TYR 31 38.154 36.712 21.765 236 HD2 TYR 31 HD2 TYR 31 37.243 37.248 17.577 237 HE1 TYR 31 HE1 TYR 31 35.876 37.481 22.354 238 HE2 TYR 31 HE2 TYR 31 34.971 38.051 18.174 239 HH TYR 31 HH TYR 31 33.821 38.116 21.561 240 H ASN 32 H ASN 32 40.006 34.599 16.581 241 HA ASN 32 HA ASN 32 42.734 33.651 16.773 242 HB2 ASN 32 HB2 ASN 32 40.931 34.297 14.401 243 HB3 ASN 32 HB3 ASN 32 42.524 33.580 14.263 244 HD21 ASN 32 HD21 ASN 32 41.347 30.334 14.857 245 HD22 ASN 32 HD22 ASN 32 42.646 31.377 14.302 Start of MODEL 6 1 H1 ALA 1 H1 ALA 1 18.845 15.336 25.930 2 H2 ALA 1 H2 ALA 1 17.846 15.361 24.615 3 H3 ALA 1 H3 ALA 1 17.256 15.667 26.126 4 HA ALA 1 HA ALA 1 17.458 17.710 24.880 5 HB1 ALA 1 HB1 ALA 1 18.848 18.983 26.488 6 HB2 ALA 1 HB2 ALA 1 17.720 17.888 27.292 7 HB3 ALA 1 HB3 ALA 1 19.443 17.456 27.173 8 H PHE 2 H PHE 2 18.762 19.212 23.730 9 HA PHE 2 HA PHE 2 21.077 18.041 22.304 10 HB2 PHE 2 HB2 PHE 2 19.780 20.756 21.946 11 HB3 PHE 2 HB3 PHE 2 20.831 19.914 20.813 12 HD1 PHE 2 HD1 PHE 2 17.424 20.415 21.913 13 HD2 PHE 2 HD2 PHE 2 20.009 17.649 19.848 14 HE1 PHE 2 HE1 PHE 2 15.443 19.202 21.069 15 HE2 PHE 2 HE2 PHE 2 18.022 16.445 18.973 16 HZ PHE 2 HZ PHE 2 15.734 17.213 19.592 17 H CYS 3 H CYS 3 22.915 19.807 21.809 18 HA CYS 3 HA CYS 3 24.124 20.580 24.325 19 HB2 CYS 3 HB2 CYS 3 25.829 21.643 22.981 20 HB3 CYS 3 HB3 CYS 3 25.495 20.008 22.425 21 H ASN 4 H ASN 4 24.070 22.481 25.408 22 HA ASN 4 HA ASN 4 21.780 24.236 24.839 23 HB2 ASN 4 HB2 ASN 4 23.701 24.146 27.202 24 HB3 ASN 4 HB3 ASN 4 22.233 25.118 27.105 25 HD21 ASN 4 HD21 ASN 4 20.052 22.360 27.726 26 HD22 ASN 4 HD22 ASN 4 20.121 23.873 26.816 27 H LEU 5 H LEU 5 23.048 24.911 22.805 28 HA LEU 5 HA LEU 5 25.390 26.387 22.778 29 HB2 LEU 5 HB2 LEU 5 24.283 25.509 20.792 30 HB3 LEU 5 HB3 LEU 5 22.939 26.628 21.013 31 HG LEU 5 HG LEU 5 24.434 28.561 20.575 32 HD11 LEU 5 HD11 LEU 5 26.550 26.421 20.058 33 HD12 LEU 5 HD12 LEU 5 26.694 28.131 19.605 34 HD13 LEU 5 HD13 LEU 5 26.607 27.692 21.307 35 HD21 LEU 5 HD21 LEU 5 23.194 27.515 18.741 36 HD22 LEU 5 HD22 LEU 5 24.763 28.114 18.185 37 HD23 LEU 5 HD23 LEU 5 24.529 26.378 18.471 38 H ARG 6 H ARG 6 22.094 27.768 23.338 39 HA ARG 6 HA ARG 6 22.979 30.492 23.279 40 HB2 ARG 6 HB2 ARG 6 20.811 31.068 23.874 41 HB3 ARG 6 HB3 ARG 6 20.648 29.547 23.009 42 HG2 ARG 6 HG2 ARG 6 19.199 29.163 24.743 43 HG3 ARG 6 HG3 ARG 6 20.671 28.461 25.409 44 HD2 ARG 6 HD2 ARG 6 20.949 31.040 26.299 45 HD3 ARG 6 HD3 ARG 6 19.195 30.986 26.136 46 HE ARG 6 HE ARG 6 19.956 28.638 27.526 47 HH11 ARG 6 HH11 ARG 6 20.042 32.132 28.173 48 HH12 ARG 6 HH12 ARG 6 19.940 31.809 29.898 49 HH21 ARG 6 HH21 ARG 6 19.857 28.439 29.735 50 HH22 ARG 6 HH22 ARG 6 19.787 29.897 30.706 51 H ARG 7 H ARG 7 22.857 28.204 25.943 52 HA ARG 7 HA ARG 7 23.700 30.150 27.993 53 HB2 ARG 7 HB2 ARG 7 22.265 28.160 28.498 54 HB3 ARG 7 HB3 ARG 7 23.616 27.101 28.079 55 HG2 ARG 7 HG2 ARG 7 24.963 28.097 29.935 56 HG3 ARG 7 HG3 ARG 7 23.635 29.216 30.289 57 HD2 ARG 7 HD2 ARG 7 23.539 27.396 31.870 58 HD3 ARG 7 HD3 ARG 7 22.162 27.279 30.769 59 HE ARG 7 HE ARG 7 24.637 25.665 30.256 60 HH11 ARG 7 HH11 ARG 7 21.179 25.561 31.025 61 HH12 ARG 7 HH12 ARG 7 21.164 23.822 30.882 62 HH21 ARG 7 HH21 ARG 7 24.518 23.636 29.995 63 HH22 ARG 7 HH22 ARG 7 23.067 22.696 30.304 64 H CYS 8 H CYS 8 25.220 27.618 26.023 65 HA CYS 8 HA CYS 8 27.911 27.899 27.012 66 HB2 CYS 8 HB2 CYS 8 27.018 26.040 25.624 67 HB3 CYS 8 HB3 CYS 8 26.686 27.172 24.327 68 H GLU 9 H GLU 9 26.260 29.683 24.312 69 HA GLU 9 HA GLU 9 28.474 31.332 23.741 70 HB2 GLU 9 HB2 GLU 9 25.480 31.809 23.536 71 HB3 GLU 9 HB3 GLU 9 26.655 33.069 23.139 72 HG2 GLU 9 HG2 GLU 9 27.782 31.468 21.552 73 HG3 GLU 9 HG3 GLU 9 26.451 30.350 21.798 74 H LEU 10 H LEU 10 26.035 31.820 26.374 75 HA LEU 10 HA LEU 10 27.312 34.346 27.116 76 HB2 LEU 10 HB2 LEU 10 25.552 34.786 28.494 77 HB3 LEU 10 HB3 LEU 10 24.845 33.871 27.189 78 HG LEU 10 HG LEU 10 25.166 31.827 28.897 79 HD11 LEU 10 HD11 LEU 10 24.701 32.522 31.217 80 HD12 LEU 10 HD12 LEU 10 26.270 33.136 30.706 81 HD13 LEU 10 HD13 LEU 10 24.871 34.226 30.755 82 HD21 LEU 10 HD21 LEU 10 23.024 32.604 27.958 83 HD22 LEU 10 HD22 LEU 10 22.879 32.190 29.675 84 HD23 LEU 10 HD23 LEU 10 22.967 33.893 29.178 85 H SER 11 H SER 11 27.499 31.028 28.247 86 HA SER 11 HA SER 11 29.044 31.550 30.648 87 HB2 SER 11 HB2 SER 11 27.814 29.449 30.340 88 HB3 SER 11 HB3 SER 11 28.786 29.066 28.909 89 HG SER 11 HG SER 11 30.027 28.118 30.281 90 H CYS 12 H CYS 12 29.927 30.550 27.282 91 HA CYS 12 HA CYS 12 32.764 30.811 27.703 92 HB2 CYS 12 HB2 CYS 12 31.163 30.981 25.134 93 HB3 CYS 12 HB3 CYS 12 32.898 30.724 25.256 94 H ARG 13 H ARG 13 30.213 33.134 26.912 95 HA ARG 13 HA ARG 13 31.921 35.361 26.168 96 HB2 ARG 13 HB2 ARG 13 29.484 35.353 25.789 97 HB3 ARG 13 HB3 ARG 13 29.203 35.406 27.533 98 HG2 ARG 13 HG2 ARG 13 30.374 37.645 27.571 99 HG3 ARG 13 HG3 ARG 13 30.467 37.543 25.804 100 HD2 ARG 13 HD2 ARG 13 27.921 37.558 27.490 101 HD3 ARG 13 HD3 ARG 13 28.563 38.936 26.584 102 HE ARG 13 HE ARG 13 28.330 37.403 24.527 103 HH11 ARG 13 HH11 ARG 13 25.824 37.509 27.000 104 HH12 ARG 13 HH12 ARG 13 24.794 36.456 26.075 105 HH21 ARG 13 HH21 ARG 13 27.018 36.209 23.449 106 HH22 ARG 13 HH22 ARG 13 25.427 35.749 24.044 107 H SER 14 H SER 14 30.951 34.059 29.355 108 HA SER 14 HA SER 14 32.069 36.185 30.870 109 HB2 SER 14 HB2 SER 14 31.875 34.851 32.771 110 HB3 SER 14 HB3 SER 14 30.562 34.298 31.727 111 HG SER 14 HG SER 14 31.827 32.511 31.145 112 H LEU 15 H LEU 15 33.590 33.604 29.155 113 HA LEU 15 HA LEU 15 36.295 34.015 30.295 114 HB2 LEU 15 HB2 LEU 15 35.307 32.023 28.219 115 HB3 LEU 15 HB3 LEU 15 36.821 31.963 29.096 116 HG LEU 15 HG LEU 15 34.080 31.608 30.383 117 HD11 LEU 15 HD11 LEU 15 34.545 29.822 28.794 118 HD12 LEU 15 HD12 LEU 15 36.139 29.556 29.521 119 HD13 LEU 15 HD13 LEU 15 34.659 29.229 30.451 120 HD21 LEU 15 HD21 LEU 15 36.903 31.148 31.440 121 HD22 LEU 15 HD22 LEU 15 35.762 32.392 31.993 122 HD23 LEU 15 HD23 LEU 15 35.409 30.681 32.271 123 H GLY 16 H GLY 16 34.521 35.513 27.915 124 HA2 GLY 16 HA2 GLY 16 35.021 36.768 26.068 125 HA3 GLY 16 HA3 GLY 16 36.741 36.538 26.395 126 H LEU 17 H LEU 17 34.879 33.613 25.968 127 HA LEU 17 HA LEU 17 36.202 33.154 23.328 128 HB2 LEU 17 HB2 LEU 17 35.141 31.154 25.354 129 HB3 LEU 17 HB3 LEU 17 35.910 30.763 23.823 130 HG LEU 17 HG LEU 17 37.145 31.959 26.283 131 HD11 LEU 17 HD11 LEU 17 36.988 29.546 26.319 132 HD12 LEU 17 HD12 LEU 17 37.785 29.437 24.724 133 HD13 LEU 17 HD13 LEU 17 38.667 30.026 26.144 134 HD21 LEU 17 HD21 LEU 17 39.332 31.992 25.055 135 HD22 LEU 17 HD22 LEU 17 38.462 31.630 23.551 136 HD23 LEU 17 HD23 LEU 17 38.192 33.168 24.408 137 H LEU 18 H LEU 18 35.130 31.893 21.747 138 HA LEU 18 HA LEU 18 32.313 32.576 21.318 139 HB2 LEU 18 HB2 LEU 18 33.893 32.559 19.446 140 HB3 LEU 18 HB3 LEU 18 34.357 30.907 19.807 141 HG LEU 18 HG LEU 18 32.102 30.102 19.201 142 HD11 LEU 18 HD11 LEU 18 30.529 31.573 18.016 143 HD12 LEU 18 HD12 LEU 18 30.731 32.103 19.686 144 HD13 LEU 18 HD13 LEU 18 31.547 32.980 18.375 145 HD21 LEU 18 HD21 LEU 18 32.300 30.482 16.783 146 HD22 LEU 18 HD22 LEU 18 33.404 31.844 17.074 147 HD23 LEU 18 HD23 LEU 18 33.887 30.189 17.513 148 H GLY 19 H GLY 19 30.627 31.338 21.916 149 HA2 GLY 19 HA2 GLY 19 30.957 28.556 22.881 150 HA3 GLY 19 HA3 GLY 19 29.455 29.487 22.822 151 H LYS 20 H LYS 20 31.029 26.939 21.459 152 HA LYS 20 HA LYS 20 29.462 26.966 18.944 153 HB2 LYS 20 HB2 LYS 20 31.888 27.882 18.709 154 HB3 LYS 20 HB3 LYS 20 32.443 26.281 19.163 155 HG2 LYS 20 HG2 LYS 20 32.506 26.365 16.779 156 HG3 LYS 20 HG3 LYS 20 31.104 25.378 17.187 157 HD2 LYS 20 HD2 LYS 20 29.918 27.858 17.094 158 HD3 LYS 20 HD3 LYS 20 31.269 28.128 15.986 159 HE2 LYS 20 HE2 LYS 20 30.591 26.095 14.707 160 HE3 LYS 20 HE3 LYS 20 29.265 25.838 15.854 161 HZ1 LYS 20 HZ1 LYS 20 28.540 27.024 13.815 162 HZ2 LYS 20 HZ2 LYS 20 28.288 27.921 15.159 163 HZ3 LYS 20 HZ3 LYS 20 29.558 28.261 14.160 164 H CYS 21 H CYS 21 28.694 24.995 18.300 165 HA CYS 21 HA CYS 21 29.410 22.623 19.977 166 HB2 CYS 21 HB2 CYS 21 27.211 23.594 20.409 167 HB3 CYS 21 HB3 CYS 21 26.769 23.382 18.718 168 H ILE 22 H ILE 22 30.350 20.969 19.018 169 HA ILE 22 HA ILE 22 30.269 20.569 16.086 170 HB ILE 22 HB ILE 22 31.671 19.142 18.355 171 HG12 ILE 22 HG12 ILE 22 32.576 21.363 17.645 172 HG13 ILE 22 HG13 ILE 22 33.697 20.022 17.496 173 HG21 ILE 22 HG21 ILE 22 31.684 18.354 15.422 174 HG22 ILE 22 HG22 ILE 22 32.911 17.837 16.603 175 HG23 ILE 22 HG23 ILE 22 31.229 17.361 16.818 176 HD11 ILE 22 HD11 ILE 22 33.419 19.967 15.072 177 HD12 ILE 22 HD12 ILE 22 32.164 21.224 15.150 178 HD13 ILE 22 HD13 ILE 22 33.836 21.602 15.596 179 H GLY 23 H GLY 23 29.087 18.775 18.966 180 HA2 GLY 23 HA2 GLY 23 26.969 17.498 17.327 181 HA3 GLY 23 HA3 GLY 23 28.191 16.441 18.033 182 H GLU 24 H GLU 24 28.006 15.871 20.187 183 HA GLU 24 HA GLU 24 25.443 16.508 21.454 184 HB2 GLU 24 HB2 GLU 24 25.846 14.684 22.877 185 HB3 GLU 24 HB3 GLU 24 26.395 14.213 21.272 186 HG2 GLU 24 HG2 GLU 24 28.750 14.635 21.962 187 HG3 GLU 24 HG3 GLU 24 28.186 15.126 23.554 188 H GLU 25 H GLU 25 28.345 18.137 21.617 189 HA GLU 25 HA GLU 25 27.581 19.385 24.183 190 HB2 GLU 25 HB2 GLU 25 29.277 17.527 24.634 191 HB3 GLU 25 HB3 GLU 25 30.435 18.422 23.662 192 HG2 GLU 25 HG2 GLU 25 30.706 18.803 26.109 193 HG3 GLU 25 HG3 GLU 25 30.395 20.293 25.222 194 H CYS 26 H CYS 26 28.160 21.500 24.476 195 HA CYS 26 HA CYS 26 29.344 22.910 22.133 196 HB2 CYS 26 HB2 CYS 26 27.066 23.556 22.751 197 HB3 CYS 26 HB3 CYS 26 27.615 23.984 24.372 198 H LYS 27 H LYS 27 31.270 23.809 22.299 199 HA LYS 27 HA LYS 27 32.686 23.879 24.929 200 HB2 LYS 27 HB2 LYS 27 33.644 23.317 22.092 201 HB3 LYS 27 HB3 LYS 27 34.727 23.553 23.463 202 HG2 LYS 27 HG2 LYS 27 32.613 21.383 23.410 203 HG3 LYS 27 HG3 LYS 27 34.245 21.161 22.798 204 HD2 LYS 27 HD2 LYS 27 35.169 20.973 24.843 205 HD3 LYS 27 HD3 LYS 27 34.245 22.345 25.495 206 HE2 LYS 27 HE2 LYS 27 32.341 21.086 25.892 207 HE3 LYS 27 HE3 LYS 27 32.940 19.697 24.959 208 HZ1 LYS 27 HZ1 LYS 27 34.081 20.607 27.572 209 HZ2 LYS 27 HZ2 LYS 27 33.176 19.270 27.360 210 HZ3 LYS 27 HZ3 LYS 27 34.658 19.367 26.687 211 H CYS 28 H CYS 28 34.422 25.383 25.098 212 HA CYS 28 HA CYS 28 33.776 28.093 23.996 213 HB2 CYS 28 HB2 CYS 28 35.360 27.352 26.464 214 HB3 CYS 28 HB3 CYS 28 34.934 28.967 25.902 215 H VAL 29 H VAL 29 35.117 28.890 22.509 216 HA VAL 29 HA VAL 29 37.921 27.902 22.353 217 HB VAL 29 HB VAL 29 37.635 27.606 19.889 218 HG11 VAL 29 HG11 VAL 29 35.994 25.682 21.570 219 HG12 VAL 29 HG12 VAL 29 36.795 25.344 20.025 220 HG13 VAL 29 HG13 VAL 29 37.768 25.699 21.467 221 HG21 VAL 29 HG21 VAL 29 35.466 28.790 19.581 222 HG22 VAL 29 HG22 VAL 29 35.420 27.128 18.967 223 HG23 VAL 29 HG23 VAL 29 34.652 27.514 20.519 224 HA PRO 30 HA PRO 30 38.804 32.073 21.206 225 HB2 PRO 30 HB2 PRO 30 41.214 31.831 19.910 226 HB3 PRO 30 HB3 PRO 30 41.009 31.649 21.677 227 HG2 PRO 30 HG2 PRO 30 41.257 29.500 19.582 228 HG3 PRO 30 HG3 PRO 30 41.980 29.557 21.214 229 HD2 PRO 30 HD2 PRO 30 39.678 28.160 20.559 230 HD3 PRO 30 HD3 PRO 30 40.017 28.762 22.198 231 H TYR 31 H TYR 31 38.369 33.453 19.546 232 HA TYR 31 HA TYR 31 36.691 32.459 17.499 233 HB2 TYR 31 HB2 TYR 31 37.895 35.174 18.084 234 HB3 TYR 31 HB3 TYR 31 36.906 34.907 16.666 235 HD1 TYR 31 HD1 TYR 31 34.557 34.585 16.749 236 HD2 TYR 31 HD2 TYR 31 36.809 35.001 20.389 237 HE1 TYR 31 HE1 TYR 31 32.467 35.126 17.971 238 HE2 TYR 31 HE2 TYR 31 34.705 35.492 21.635 239 HH TYR 31 HH TYR 31 31.520 35.614 19.963 240 H ASN 32 H ASN 32 36.885 31.946 15.451 241 HA ASN 32 HA ASN 32 39.471 32.035 14.000 242 HB2 ASN 32 HB2 ASN 32 36.752 31.185 12.916 243 HB3 ASN 32 HB3 ASN 32 38.338 30.798 12.270 244 HD21 ASN 32 HD21 ASN 32 38.247 28.547 15.504 245 HD22 ASN 32 HD22 ASN 32 39.087 30.093 15.295 Start of MODEL 7 1 H1 ALA 1 H1 ALA 1 20.358 14.045 19.242 2 H2 ALA 1 H2 ALA 1 21.716 14.953 19.446 3 H3 ALA 1 H3 ALA 1 20.535 15.471 18.437 4 HA ALA 1 HA ALA 1 18.998 15.694 20.258 5 HB1 ALA 1 HB1 ALA 1 21.412 15.087 22.015 6 HB2 ALA 1 HB2 ALA 1 19.789 15.519 22.566 7 HB3 ALA 1 HB3 ALA 1 20.052 13.976 21.728 8 H PHE 2 H PHE 2 18.773 17.784 21.306 9 HA PHE 2 HA PHE 2 20.219 19.711 19.790 10 HB2 PHE 2 HB2 PHE 2 18.285 20.196 22.063 11 HB3 PHE 2 HB3 PHE 2 18.798 21.369 20.859 12 HD1 PHE 2 HD1 PHE 2 16.469 18.712 21.622 13 HD2 PHE 2 HD2 PHE 2 18.279 20.897 18.374 14 HE1 PHE 2 HE1 PHE 2 14.720 17.879 20.089 15 HE2 PHE 2 HE2 PHE 2 16.528 20.053 16.832 16 HZ PHE 2 HZ PHE 2 14.740 18.543 17.681 17 H CYS 3 H CYS 3 21.903 20.965 20.151 18 HA CYS 3 HA CYS 3 23.658 20.717 22.406 19 HB2 CYS 3 HB2 CYS 3 23.354 22.853 20.256 20 HB3 CYS 3 HB3 CYS 3 24.733 22.721 21.339 21 H ASN 4 H ASN 4 23.875 21.997 24.284 22 HA ASN 4 HA ASN 4 21.830 23.902 25.048 23 HB2 ASN 4 HB2 ASN 4 22.931 24.013 27.101 24 HB3 ASN 4 HB3 ASN 4 23.116 22.345 26.599 25 HD21 ASN 4 HD21 ASN 4 26.323 24.115 27.895 26 HD22 ASN 4 HD22 ASN 4 24.679 23.955 28.512 27 H LEU 5 H LEU 5 22.834 24.754 22.667 28 HA LEU 5 HA LEU 5 25.107 26.378 22.805 29 HB2 LEU 5 HB2 LEU 5 24.039 25.093 20.891 30 HB3 LEU 5 HB3 LEU 5 22.943 26.454 20.681 31 HG LEU 5 HG LEU 5 24.823 27.900 20.125 32 HD11 LEU 5 HD11 LEU 5 27.118 26.863 19.767 33 HD12 LEU 5 HD12 LEU 5 26.670 27.107 21.454 34 HD13 LEU 5 HD13 LEU 5 26.563 25.483 20.737 35 HD21 LEU 5 HD21 LEU 5 23.776 26.531 18.369 36 HD22 LEU 5 HD22 LEU 5 25.492 26.814 18.028 37 HD23 LEU 5 HD23 LEU 5 24.966 25.241 18.660 38 H ARG 6 H ARG 6 21.901 27.286 23.732 39 HA ARG 6 HA ARG 6 22.331 30.197 23.406 40 HB2 ARG 6 HB2 ARG 6 20.181 28.627 24.903 41 HB3 ARG 6 HB3 ARG 6 20.293 30.369 24.871 42 HG2 ARG 6 HG2 ARG 6 18.633 29.766 23.303 43 HG3 ARG 6 HG3 ARG 6 20.015 30.389 22.411 44 HD2 ARG 6 HD2 ARG 6 18.957 28.460 21.301 45 HD3 ARG 6 HD3 ARG 6 20.642 28.147 21.710 46 HE ARG 6 HE ARG 6 18.644 27.261 23.704 47 HH11 ARG 6 HH11 ARG 6 20.369 26.157 20.838 48 HH12 ARG 6 HH12 ARG 6 20.477 24.526 21.468 49 HH21 ARG 6 HH21 ARG 6 18.557 25.090 24.223 50 HH22 ARG 6 HH22 ARG 6 19.553 23.956 23.336 51 H ARG 7 H ARG 7 22.527 27.827 26.091 52 HA ARG 7 HA ARG 7 23.464 29.807 28.043 53 HB2 ARG 7 HB2 ARG 7 23.597 26.757 27.985 54 HB3 ARG 7 HB3 ARG 7 24.097 27.751 29.363 55 HG2 ARG 7 HG2 ARG 7 21.826 28.618 29.653 56 HG3 ARG 7 HG3 ARG 7 21.297 27.842 28.169 57 HD2 ARG 7 HD2 ARG 7 20.466 26.411 29.764 58 HD3 ARG 7 HD3 ARG 7 21.955 25.597 29.276 59 HE ARG 7 HE ARG 7 22.615 27.246 31.481 60 HH11 ARG 7 HH11 ARG 7 20.580 24.399 30.993 61 HH12 ARG 7 HH12 ARG 7 20.458 24.121 32.721 62 HH21 ARG 7 HH21 ARG 7 22.599 26.685 33.559 63 HH22 ARG 7 HH22 ARG 7 21.859 25.207 34.102 64 H CYS 8 H CYS 8 25.074 27.476 25.911 65 HA CYS 8 HA CYS 8 27.760 27.904 26.755 66 HB2 CYS 8 HB2 CYS 8 26.864 26.040 25.334 67 HB3 CYS 8 HB3 CYS 8 26.587 27.188 24.035 68 H GLU 9 H GLU 9 25.963 29.684 24.162 69 HA GLU 9 HA GLU 9 28.261 31.176 23.406 70 HB2 GLU 9 HB2 GLU 9 26.880 32.629 22.207 71 HB3 GLU 9 HB3 GLU 9 26.249 30.997 22.028 72 HG2 GLU 9 HG2 GLU 9 24.356 31.464 23.356 73 HG3 GLU 9 HG3 GLU 9 25.067 32.912 24.076 74 H LEU 10 H LEU 10 26.268 31.605 26.234 75 HA LEU 10 HA LEU 10 27.624 34.211 26.748 76 HB2 LEU 10 HB2 LEU 10 25.969 34.745 28.366 77 HB3 LEU 10 HB3 LEU 10 25.300 34.411 26.787 78 HG LEU 10 HG LEU 10 24.631 32.091 27.691 79 HD11 LEU 10 HD11 LEU 10 24.182 32.054 30.152 80 HD12 LEU 10 HD12 LEU 10 25.900 32.033 29.812 81 HD13 LEU 10 HD13 LEU 10 25.136 33.546 30.338 82 HD21 LEU 10 HD21 LEU 10 23.063 33.905 27.230 83 HD22 LEU 10 HD22 LEU 10 22.585 33.048 28.693 84 HD23 LEU 10 HD23 LEU 10 23.397 34.642 28.803 85 H SER 11 H SER 11 27.539 30.889 28.008 86 HA SER 11 HA SER 11 29.069 31.639 30.371 87 HB2 SER 11 HB2 SER 11 29.169 29.387 30.937 88 HB3 SER 11 HB3 SER 11 27.557 29.664 30.272 89 HG SER 11 HG SER 11 28.331 27.793 29.476 90 H CYS 12 H CYS 12 29.964 30.450 27.093 91 HA CYS 12 HA CYS 12 32.825 30.549 27.699 92 HB2 CYS 12 HB2 CYS 12 31.298 30.652 25.073 93 HB3 CYS 12 HB3 CYS 12 33.051 30.568 25.204 94 H ARG 13 H ARG 13 30.400 32.941 26.788 95 HA ARG 13 HA ARG 13 32.239 35.050 25.989 96 HB2 ARG 13 HB2 ARG 13 29.810 34.962 25.494 97 HB3 ARG 13 HB3 ARG 13 29.465 35.338 27.192 98 HG2 ARG 13 HG2 ARG 13 30.589 37.522 26.908 99 HG3 ARG 13 HG3 ARG 13 30.908 37.136 25.207 100 HD2 ARG 13 HD2 ARG 13 28.156 37.312 26.515 101 HD3 ARG 13 HD3 ARG 13 28.890 38.588 25.545 102 HE ARG 13 HE ARG 13 28.917 36.840 23.639 103 HH11 ARG 13 HH11 ARG 13 26.227 36.940 25.972 104 HH12 ARG 13 HH12 ARG 13 25.180 36.156 24.814 105 HH21 ARG 13 HH21 ARG 13 27.557 35.933 22.349 106 HH22 ARG 13 HH22 ARG 13 25.908 35.530 22.824 107 H SER 14 H SER 14 31.126 33.900 29.094 108 HA SER 14 HA SER 14 32.257 35.947 30.734 109 HB2 SER 14 HB2 SER 14 30.483 34.330 31.406 110 HB3 SER 14 HB3 SER 14 31.682 33.043 31.388 111 HG SER 14 HG SER 14 31.306 35.140 33.180 112 H LEU 15 H LEU 15 33.861 33.448 28.959 113 HA LEU 15 HA LEU 15 36.412 33.814 30.478 114 HB2 LEU 15 HB2 LEU 15 35.741 31.949 28.163 115 HB3 LEU 15 HB3 LEU 15 37.257 31.996 29.049 116 HG LEU 15 HG LEU 15 34.569 31.134 30.178 117 HD11 LEU 15 HD11 LEU 15 35.641 28.899 30.209 118 HD12 LEU 15 HD12 LEU 15 35.547 29.548 28.567 119 HD13 LEU 15 HD13 LEU 15 37.092 29.579 29.450 120 HD21 LEU 15 HD21 LEU 15 37.360 31.154 31.431 121 HD22 LEU 15 HD22 LEU 15 35.963 32.122 31.953 122 HD23 LEU 15 HD23 LEU 15 35.929 30.369 32.135 123 H GLY 16 H GLY 16 34.750 35.321 27.997 124 HA2 GLY 16 HA2 GLY 16 35.408 36.774 26.330 125 HA3 GLY 16 HA3 GLY 16 37.109 36.503 26.735 126 H LEU 17 H LEU 17 34.793 33.899 25.863 127 HA LEU 17 HA LEU 17 36.256 33.455 23.285 128 HB2 LEU 17 HB2 LEU 17 35.320 31.402 25.325 129 HB3 LEU 17 HB3 LEU 17 35.986 31.009 23.743 130 HG LEU 17 HG LEU 17 37.447 32.402 25.983 131 HD11 LEU 17 HD11 LEU 17 37.749 29.567 24.976 132 HD12 LEU 17 HD12 LEU 17 38.798 30.364 26.159 133 HD13 LEU 17 HD13 LEU 17 37.108 30.097 26.563 134 HD21 LEU 17 HD21 LEU 17 39.504 32.067 24.660 135 HD22 LEU 17 HD22 LEU 17 38.562 31.326 23.356 136 HD23 LEU 17 HD23 LEU 17 38.366 33.048 23.739 137 H LEU 18 H LEU 18 35.121 32.158 21.714 138 HA LEU 18 HA LEU 18 32.237 32.757 21.489 139 HB2 LEU 18 HB2 LEU 18 34.226 31.252 19.750 140 HB3 LEU 18 HB3 LEU 18 32.511 31.371 19.373 141 HG LEU 18 HG LEU 18 34.345 33.790 19.654 142 HD11 LEU 18 HD11 LEU 18 33.329 32.399 17.144 143 HD12 LEU 18 HD12 LEU 18 34.323 33.862 17.210 144 HD13 LEU 18 HD13 LEU 18 34.996 32.317 17.760 145 HD21 LEU 18 HD21 LEU 18 32.006 34.404 19.989 146 HD22 LEU 18 HD22 LEU 18 32.446 34.869 18.344 147 HD23 LEU 18 HD23 LEU 18 31.496 33.400 18.613 148 H GLY 19 H GLY 19 30.626 31.347 21.851 149 HA2 GLY 19 HA2 GLY 19 31.240 28.657 23.000 150 HA3 GLY 19 HA3 GLY 19 29.695 29.490 23.064 151 H LYS 20 H LYS 20 31.467 27.088 21.558 152 HA LYS 20 HA LYS 20 29.569 26.816 19.238 153 HB2 LYS 20 HB2 LYS 20 32.525 26.189 19.498 154 HB3 LYS 20 HB3 LYS 20 31.520 25.173 18.478 155 HG2 LYS 20 HG2 LYS 20 32.533 26.789 17.075 156 HG3 LYS 20 HG3 LYS 20 30.803 27.135 17.146 157 HD2 LYS 20 HD2 LYS 20 31.216 28.935 18.754 158 HD3 LYS 20 HD3 LYS 20 32.927 28.532 18.812 159 HE2 LYS 20 HE2 LYS 20 32.872 30.387 17.404 160 HE3 LYS 20 HE3 LYS 20 33.001 29.032 16.283 161 HZ1 LYS 20 HZ1 LYS 20 30.414 30.307 17.012 162 HZ2 LYS 20 HZ2 LYS 20 31.293 30.782 15.735 163 HZ3 LYS 20 HZ3 LYS 20 30.686 29.256 15.762 164 H CYS 21 H CYS 21 28.902 24.743 18.699 165 HA CYS 21 HA CYS 21 28.855 22.779 20.953 166 HB2 CYS 21 HB2 CYS 21 26.728 23.442 19.691 167 HB3 CYS 21 HB3 CYS 21 27.377 22.480 18.347 168 H ILE 22 H ILE 22 30.192 21.078 20.974 169 HA ILE 22 HA ILE 22 31.012 19.782 18.468 170 HB ILE 22 HB ILE 22 33.022 20.464 20.604 171 HG12 ILE 22 HG12 ILE 22 32.717 21.705 17.829 172 HG13 ILE 22 HG13 ILE 22 32.542 22.534 19.380 173 HG21 ILE 22 HG21 ILE 22 33.355 19.148 17.884 174 HG22 ILE 22 HG22 ILE 22 34.653 19.441 19.068 175 HG23 ILE 22 HG23 ILE 22 33.373 18.308 19.450 176 HD11 ILE 22 HD11 ILE 22 34.642 23.173 18.520 177 HD12 ILE 22 HD12 ILE 22 34.979 22.033 19.838 178 HD13 ILE 22 HD13 ILE 22 35.105 21.507 18.143 179 H GLY 23 H GLY 23 30.032 18.016 18.801 180 HA2 GLY 23 HA2 GLY 23 29.963 15.741 19.535 181 HA3 GLY 23 HA3 GLY 23 30.737 16.193 21.056 182 H GLU 24 H GLU 24 27.932 17.848 19.674 183 HA GLU 24 HA GLU 24 25.960 18.457 20.537 184 HB2 GLU 24 HB2 GLU 24 25.756 15.697 21.757 185 HB3 GLU 24 HB3 GLU 24 24.451 16.863 21.486 186 HG2 GLU 24 HG2 GLU 24 25.178 16.828 19.003 187 HG3 GLU 24 HG3 GLU 24 26.054 15.346 19.412 188 H GLU 25 H GLU 25 28.382 18.992 22.117 189 HA GLU 25 HA GLU 25 26.994 20.172 24.392 190 HB2 GLU 25 HB2 GLU 25 28.363 19.290 26.114 191 HB3 GLU 25 HB3 GLU 25 27.632 17.961 25.246 192 HG2 GLU 25 HG2 GLU 25 29.841 17.668 24.019 193 HG3 GLU 25 HG3 GLU 25 30.511 18.916 25.074 194 H CYS 26 H CYS 26 28.497 21.665 25.629 195 HA CYS 26 HA CYS 26 29.349 23.558 23.650 196 HB2 CYS 26 HB2 CYS 26 28.097 24.106 25.694 197 HB3 CYS 26 HB3 CYS 26 29.455 23.572 26.672 198 H LYS 27 H LYS 27 31.226 24.302 23.013 199 HA LYS 27 HA LYS 27 33.701 23.911 24.582 200 HB2 LYS 27 HB2 LYS 27 33.250 22.715 22.078 201 HB3 LYS 27 HB3 LYS 27 34.062 24.202 21.654 202 HG2 LYS 27 HG2 LYS 27 35.818 22.711 21.901 203 HG3 LYS 27 HG3 LYS 27 35.854 23.553 23.449 204 HD2 LYS 27 HD2 LYS 27 34.293 20.977 23.051 205 HD3 LYS 27 HD3 LYS 27 36.038 20.934 23.356 206 HE2 LYS 27 HE2 LYS 27 35.707 22.118 25.509 207 HE3 LYS 27 HE3 LYS 27 33.970 22.178 25.203 208 HZ1 LYS 27 HZ1 LYS 27 35.557 19.727 25.624 209 HZ2 LYS 27 HZ2 LYS 27 34.381 20.341 26.599 210 HZ3 LYS 27 HZ3 LYS 27 33.982 19.733 25.135 211 H CYS 28 H CYS 28 34.871 25.613 24.951 212 HA CYS 28 HA CYS 28 34.146 28.293 23.849 213 HB2 CYS 28 HB2 CYS 28 35.950 27.607 26.154 214 HB3 CYS 28 HB3 CYS 28 35.313 29.178 25.672 215 H VAL 29 H VAL 29 35.374 29.238 22.365 216 HA VAL 29 HA VAL 29 38.168 28.369 21.851 217 HB VAL 29 HB VAL 29 37.591 28.163 19.401 218 HG11 VAL 29 HG11 VAL 29 36.312 26.051 21.171 219 HG12 VAL 29 HG12 VAL 29 36.886 25.856 19.505 220 HG13 VAL 29 HG13 VAL 29 38.046 26.181 20.795 221 HG21 VAL 29 HG21 VAL 29 35.338 29.209 19.459 222 HG22 VAL 29 HG22 VAL 29 35.324 27.594 18.740 223 HG23 VAL 29 HG23 VAL 29 34.735 27.824 20.403 224 HA PRO 30 HA PRO 30 38.707 32.638 20.982 225 HB2 PRO 30 HB2 PRO 30 40.944 32.702 19.411 226 HB3 PRO 30 HB3 PRO 30 40.960 32.211 21.128 227 HG2 PRO 30 HG2 PRO 30 40.879 30.453 18.669 228 HG3 PRO 30 HG3 PRO 30 41.927 30.283 20.110 229 HD2 PRO 30 HD2 PRO 30 39.627 28.857 19.771 230 HD3 PRO 30 HD3 PRO 30 40.181 29.372 21.386 231 H TYR 31 H TYR 31 38.944 34.316 19.268 232 HA TYR 31 HA TYR 31 36.813 33.942 17.303 233 HB2 TYR 31 HB2 TYR 31 38.542 36.324 18.063 234 HB3 TYR 31 HB3 TYR 31 37.235 36.377 16.890 235 HD1 TYR 31 HD1 TYR 31 38.012 35.957 20.521 236 HD2 TYR 31 HD2 TYR 31 34.922 36.439 17.553 237 HE1 TYR 31 HE1 TYR 31 36.350 36.356 22.322 238 HE2 TYR 31 HE2 TYR 31 33.266 36.859 19.372 239 HH TYR 31 HH TYR 31 34.146 37.186 22.748 240 H ASN 32 H ASN 32 37.391 32.704 15.595 241 HA ASN 32 HA ASN 32 39.839 33.374 13.984 242 HB2 ASN 32 HB2 ASN 32 38.482 30.703 14.498 243 HB3 ASN 32 HB3 ASN 32 39.726 30.943 13.315 244 HD21 ASN 32 HD21 ASN 32 41.012 29.774 16.736 245 HD22 ASN 32 HD22 ASN 32 39.354 29.588 16.191 Start of MODEL 8 1 H1 ALA 1 H1 ALA 1 22.887 15.530 18.506 2 H2 ALA 1 H2 ALA 1 23.048 15.989 16.957 3 H3 ALA 1 H3 ALA 1 21.786 15.008 17.389 4 HA ALA 1 HA ALA 1 21.050 17.276 17.031 5 HB1 ALA 1 HB1 ALA 1 20.904 16.384 19.936 6 HB2 ALA 1 HB2 ALA 1 19.823 17.542 19.124 7 HB3 ALA 1 HB3 ALA 1 19.836 15.846 18.628 8 H PHE 2 H PHE 2 20.937 19.499 17.988 9 HA PHE 2 HA PHE 2 23.628 20.525 18.348 10 HB2 PHE 2 HB2 PHE 2 20.995 22.003 18.579 11 HB3 PHE 2 HB3 PHE 2 22.590 22.693 18.282 12 HD1 PHE 2 HD1 PHE 2 23.829 21.882 16.102 13 HD2 PHE 2 HD2 PHE 2 19.601 21.365 16.766 14 HE1 PHE 2 HE1 PHE 2 23.503 21.425 13.686 15 HE2 PHE 2 HE2 PHE 2 19.288 20.891 14.357 16 HZ PHE 2 HZ PHE 2 21.238 20.904 12.805 17 H CYS 3 H CYS 3 24.580 21.443 20.156 18 HA CYS 3 HA CYS 3 23.785 20.456 22.768 19 HB2 CYS 3 HB2 CYS 3 25.806 21.343 23.492 20 HB3 CYS 3 HB3 CYS 3 26.138 20.785 21.865 21 H ASN 4 H ASN 4 24.013 22.279 24.701 22 HA ASN 4 HA ASN 4 21.904 24.201 24.374 23 HB2 ASN 4 HB2 ASN 4 22.516 22.790 26.421 24 HB3 ASN 4 HB3 ASN 4 23.844 23.924 26.695 25 HD21 ASN 4 HD21 ASN 4 20.817 24.930 28.587 26 HD22 ASN 4 HD22 ASN 4 22.080 23.700 28.677 27 H LEU 5 H LEU 5 23.207 25.046 22.425 28 HA LEU 5 HA LEU 5 25.502 26.664 22.634 29 HB2 LEU 5 HB2 LEU 5 24.373 25.696 20.594 30 HB3 LEU 5 HB3 LEU 5 23.154 26.950 20.722 31 HG LEU 5 HG LEU 5 24.827 27.332 18.978 32 HD11 LEU 5 HD11 LEU 5 23.701 29.290 20.132 33 HD12 LEU 5 HD12 LEU 5 25.227 29.538 21.012 34 HD13 LEU 5 HD13 LEU 5 25.203 29.631 19.256 35 HD21 LEU 5 HD21 LEU 5 26.790 26.331 20.111 36 HD22 LEU 5 HD22 LEU 5 27.112 27.934 19.430 37 HD23 LEU 5 HD23 LEU 5 26.882 27.757 21.177 38 H ARG 6 H ARG 6 22.061 27.507 23.095 39 HA ARG 6 HA ARG 6 22.407 30.361 23.337 40 HB2 ARG 6 HB2 ARG 6 20.276 28.558 24.557 41 HB3 ARG 6 HB3 ARG 6 20.165 30.307 24.368 42 HG2 ARG 6 HG2 ARG 6 20.313 30.053 21.886 43 HG3 ARG 6 HG3 ARG 6 20.322 28.308 22.065 44 HD2 ARG 6 HD2 ARG 6 18.102 30.204 22.890 45 HD3 ARG 6 HD3 ARG 6 18.083 29.061 21.531 46 HE ARG 6 HE ARG 6 18.585 27.554 23.879 47 HH11 ARG 6 HH11 ARG 6 15.896 29.364 22.509 48 HH12 ARG 6 HH12 ARG 6 14.738 28.471 23.496 49 HH21 ARG 6 HH21 ARG 6 17.109 26.515 25.008 50 HH22 ARG 6 HH22 ARG 6 15.389 26.865 24.802 51 H ARG 7 H ARG 7 22.974 27.842 25.707 52 HA ARG 7 HA ARG 7 23.475 29.855 27.857 53 HB2 ARG 7 HB2 ARG 7 22.325 27.603 28.250 54 HB3 ARG 7 HB3 ARG 7 23.899 26.843 27.974 55 HG2 ARG 7 HG2 ARG 7 24.837 28.260 29.838 56 HG3 ARG 7 HG3 ARG 7 23.223 28.918 30.120 57 HD2 ARG 7 HD2 ARG 7 24.025 25.982 30.363 58 HD3 ARG 7 HD3 ARG 7 23.841 27.129 31.701 59 HE ARG 7 HE ARG 7 21.394 27.057 30.211 60 HH11 ARG 7 HH11 ARG 7 23.147 25.184 32.669 61 HH12 ARG 7 HH12 ARG 7 21.660 24.367 33.132 62 HH21 ARG 7 HH21 ARG 7 19.659 25.839 30.832 63 HH22 ARG 7 HH22 ARG 7 19.743 25.023 32.394 64 H CYS 8 H CYS 8 25.214 27.687 25.680 65 HA CYS 8 HA CYS 8 27.858 28.018 26.680 66 HB2 CYS 8 HB2 CYS 8 26.807 26.378 24.945 67 HB3 CYS 8 HB3 CYS 8 27.041 27.667 23.773 68 H GLU 9 H GLU 9 26.128 30.026 24.218 69 HA GLU 9 HA GLU 9 28.368 31.657 23.632 70 HB2 GLU 9 HB2 GLU 9 26.841 33.117 22.539 71 HB3 GLU 9 HB3 GLU 9 26.349 31.453 22.243 72 HG2 GLU 9 HG2 GLU 9 24.513 31.670 23.841 73 HG3 GLU 9 HG3 GLU 9 25.045 33.284 24.289 74 H LEU 10 H LEU 10 26.393 31.738 26.467 75 HA LEU 10 HA LEU 10 27.615 34.335 27.304 76 HB2 LEU 10 HB2 LEU 10 25.874 34.552 28.967 77 HB3 LEU 10 HB3 LEU 10 25.271 34.466 27.318 78 HG LEU 10 HG LEU 10 24.676 32.010 27.793 79 HD11 LEU 10 HD11 LEU 10 25.921 31.627 29.910 80 HD12 LEU 10 HD12 LEU 10 25.036 32.966 30.673 81 HD13 LEU 10 HD13 LEU 10 24.191 31.485 30.176 82 HD21 LEU 10 HD21 LEU 10 23.282 34.220 29.332 83 HD22 LEU 10 HD22 LEU 10 23.023 33.789 27.624 84 HD23 LEU 10 HD23 LEU 10 22.577 32.642 28.904 85 H SER 11 H SER 11 27.631 30.911 28.040 86 HA SER 11 HA SER 11 29.100 31.183 30.545 87 HB2 SER 11 HB2 SER 11 27.731 29.211 29.978 88 HB3 SER 11 HB3 SER 11 28.811 28.840 28.642 89 HG SER 11 HG SER 11 29.389 27.617 30.338 90 H CYS 12 H CYS 12 30.102 30.395 27.150 91 HA CYS 12 HA CYS 12 32.927 30.545 27.717 92 HB2 CYS 12 HB2 CYS 12 31.389 30.844 25.114 93 HB3 CYS 12 HB3 CYS 12 33.131 30.612 25.253 94 H ARG 13 H ARG 13 30.514 32.988 27.265 95 HA ARG 13 HA ARG 13 32.251 35.211 26.583 96 HB2 ARG 13 HB2 ARG 13 29.764 35.246 26.387 97 HB3 ARG 13 HB3 ARG 13 29.653 35.275 28.151 98 HG2 ARG 13 HG2 ARG 13 30.872 37.443 28.172 99 HG3 ARG 13 HG3 ARG 13 30.995 37.380 26.417 100 HD2 ARG 13 HD2 ARG 13 29.176 38.863 27.050 101 HD3 ARG 13 HD3 ARG 13 28.499 37.421 26.266 102 HE ARG 13 HE ARG 13 28.656 37.181 29.183 103 HH11 ARG 13 HH11 ARG 13 26.553 38.680 26.767 104 HH12 ARG 13 HH12 ARG 13 25.151 38.361 27.780 105 HH21 ARG 13 HH21 ARG 13 26.898 36.921 30.316 106 HH22 ARG 13 HH22 ARG 13 25.323 37.469 29.709 107 H SER 14 H SER 14 31.702 33.480 29.596 108 HA SER 14 HA SER 14 32.901 35.335 31.387 109 HB2 SER 14 HB2 SER 14 31.814 33.275 32.174 110 HB3 SER 14 HB3 SER 14 33.073 32.302 31.411 111 HG SER 14 HG SER 14 33.644 32.613 33.566 112 H LEU 15 H LEU 15 34.310 32.917 29.190 113 HA LEU 15 HA LEU 15 37.088 33.502 29.942 114 HB2 LEU 15 HB2 LEU 15 36.061 31.824 27.630 115 HB3 LEU 15 HB3 LEU 15 37.635 31.739 28.401 116 HG LEU 15 HG LEU 15 34.968 30.839 29.590 117 HD11 LEU 15 HD11 LEU 15 35.936 29.454 27.764 118 HD12 LEU 15 HD12 LEU 15 37.430 29.258 28.705 119 HD13 LEU 15 HD13 LEU 15 35.887 28.607 29.305 120 HD21 LEU 15 HD21 LEU 15 36.313 29.870 31.423 121 HD22 LEU 15 HD22 LEU 15 37.783 30.615 30.758 122 HD23 LEU 15 HD23 LEU 15 36.469 31.630 31.397 123 H GLY 16 H GLY 16 34.905 35.101 27.902 124 HA2 GLY 16 HA2 GLY 16 35.146 36.566 26.141 125 HA3 GLY 16 HA3 GLY 16 36.883 36.556 26.399 126 H LEU 17 H LEU 17 35.049 33.612 25.725 127 HA LEU 17 HA LEU 17 36.284 33.345 23.004 128 HB2 LEU 17 HB2 LEU 17 35.470 31.199 24.997 129 HB3 LEU 17 HB3 LEU 17 36.083 30.900 23.382 130 HG LEU 17 HG LEU 17 37.558 31.982 25.759 131 HD11 LEU 17 HD11 LEU 17 38.037 29.540 24.026 132 HD12 LEU 17 HD12 LEU 17 39.036 30.051 25.399 133 HD13 LEU 17 HD13 LEU 17 37.370 29.559 25.679 134 HD21 LEU 17 HD21 LEU 17 39.606 32.085 24.324 135 HD22 LEU 17 HD22 LEU 17 38.600 31.748 22.901 136 HD23 LEU 17 HD23 LEU 17 38.399 33.263 23.810 137 H LEU 18 H LEU 18 35.039 32.148 21.417 138 HA LEU 18 HA LEU 18 32.164 32.741 21.402 139 HB2 LEU 18 HB2 LEU 18 34.029 31.140 19.608 140 HB3 LEU 18 HB3 LEU 18 32.295 31.166 19.351 141 HG LEU 18 HG LEU 18 34.021 33.672 19.336 142 HD11 LEU 18 HD11 LEU 18 32.941 32.020 17.019 143 HD12 LEU 18 HD12 LEU 18 33.817 33.560 16.886 144 HD13 LEU 18 HD13 LEU 18 34.648 32.124 17.510 145 HD21 LEU 18 HD21 LEU 18 31.637 34.146 19.778 146 HD22 LEU 18 HD22 LEU 18 32.031 34.614 18.123 147 HD23 LEU 18 HD23 LEU 18 31.152 33.102 18.426 148 H GLY 19 H GLY 19 30.533 31.399 21.877 149 HA2 GLY 19 HA2 GLY 19 31.060 28.726 23.078 150 HA3 GLY 19 HA3 GLY 19 29.523 29.599 23.090 151 H LYS 20 H LYS 20 30.781 26.929 21.915 152 HA LYS 20 HA LYS 20 29.283 26.779 19.355 153 HB2 LYS 20 HB2 LYS 20 31.396 27.879 18.895 154 HB3 LYS 20 HB3 LYS 20 32.295 26.632 19.747 155 HG2 LYS 20 HG2 LYS 20 30.528 25.804 17.450 156 HG3 LYS 20 HG3 LYS 20 32.008 26.705 17.084 157 HD2 LYS 20 HD2 LYS 20 33.418 25.104 18.107 158 HD3 LYS 20 HD3 LYS 20 32.056 24.281 18.904 159 HE2 LYS 20 HE2 LYS 20 31.176 23.491 16.879 160 HE3 LYS 20 HE3 LYS 20 32.226 24.531 15.899 161 HZ1 LYS 20 HZ1 LYS 20 32.864 22.044 16.219 162 HZ2 LYS 20 HZ2 LYS 20 34.047 23.196 16.279 163 HZ3 LYS 20 HZ3 LYS 20 33.454 22.545 17.665 164 H CYS 21 H CYS 21 28.864 24.581 18.707 165 HA CYS 21 HA CYS 21 29.060 22.659 20.957 166 HB2 CYS 21 HB2 CYS 21 27.591 22.411 18.319 167 HB3 CYS 21 HB3 CYS 21 27.461 21.331 19.700 168 H ILE 22 H ILE 22 30.676 21.207 21.052 169 HA ILE 22 HA ILE 22 32.380 20.536 18.754 170 HB ILE 22 HB ILE 22 33.139 20.617 21.127 171 HG12 ILE 22 HG12 ILE 22 33.653 17.879 19.921 172 HG13 ILE 22 HG13 ILE 22 34.310 19.372 19.236 173 HG21 ILE 22 HG21 ILE 22 31.208 19.472 22.218 174 HG22 ILE 22 HG22 ILE 22 31.720 17.946 21.480 175 HG23 ILE 22 HG23 ILE 22 32.749 18.754 22.667 176 HD11 ILE 22 HD11 ILE 22 34.885 18.299 22.032 177 HD12 ILE 22 HD12 ILE 22 35.979 18.323 20.646 178 HD13 ILE 22 HD13 ILE 22 35.472 19.848 21.382 179 H GLY 23 H GLY 23 29.433 19.378 19.969 180 HA2 GLY 23 HA2 GLY 23 28.236 17.756 18.289 181 HA3 GLY 23 HA3 GLY 23 29.571 16.683 18.731 182 H GLU 24 H GLU 24 26.508 17.677 19.564 183 HA GLU 24 HA GLU 24 25.046 17.421 21.238 184 HB2 GLU 24 HB2 GLU 24 26.824 15.354 22.509 185 HB3 GLU 24 HB3 GLU 24 25.077 15.461 22.534 186 HG2 GLU 24 HG2 GLU 24 26.864 14.636 20.234 187 HG3 GLU 24 HG3 GLU 24 25.691 13.651 21.104 188 H GLU 25 H GLU 25 28.169 18.444 22.192 189 HA GLU 25 HA GLU 25 27.152 19.524 24.786 190 HB2 GLU 25 HB2 GLU 25 29.877 18.326 24.186 191 HB3 GLU 25 HB3 GLU 25 29.399 19.039 25.713 192 HG2 GLU 25 HG2 GLU 25 28.137 16.527 24.513 193 HG3 GLU 25 HG3 GLU 25 29.476 16.534 25.641 194 H CYS 26 H CYS 26 28.157 21.420 25.543 195 HA CYS 26 HA CYS 26 28.943 23.403 23.559 196 HB2 CYS 26 HB2 CYS 26 27.546 24.095 25.364 197 HB3 CYS 26 HB3 CYS 26 28.571 23.308 26.561 198 H LYS 27 H LYS 27 30.872 24.385 23.249 199 HA LYS 27 HA LYS 27 33.225 23.898 24.950 200 HB2 LYS 27 HB2 LYS 27 32.848 22.576 22.426 201 HB3 LYS 27 HB3 LYS 27 33.937 23.895 22.106 202 HG2 LYS 27 HG2 LYS 27 35.254 22.003 22.547 203 HG3 LYS 27 HG3 LYS 27 35.454 23.053 23.943 204 HD2 LYS 27 HD2 LYS 27 33.379 20.822 23.992 205 HD3 LYS 27 HD3 LYS 27 35.093 20.440 24.196 206 HE2 LYS 27 HE2 LYS 27 35.220 22.061 26.094 207 HE3 LYS 27 HE3 LYS 27 33.486 22.338 25.949 208 HZ1 LYS 27 HZ1 LYS 27 33.910 20.724 27.622 209 HZ2 LYS 27 HZ2 LYS 27 33.162 19.933 26.374 210 HZ3 LYS 27 HZ3 LYS 27 34.771 19.764 26.633 211 H CYS 28 H CYS 28 34.753 25.480 24.880 212 HA CYS 28 HA CYS 28 33.919 28.131 23.770 213 HB2 CYS 28 HB2 CYS 28 35.784 27.481 26.046 214 HB3 CYS 28 HB3 CYS 28 35.195 29.065 25.536 215 H VAL 29 H VAL 29 35.081 29.044 22.193 216 HA VAL 29 HA VAL 29 37.826 28.078 21.586 217 HB VAL 29 HB VAL 29 37.132 27.853 19.162 218 HG11 VAL 29 HG11 VAL 29 35.888 25.836 21.064 219 HG12 VAL 29 HG12 VAL 29 36.392 25.566 19.382 220 HG13 VAL 29 HG13 VAL 29 37.609 25.909 20.623 221 HG21 VAL 29 HG21 VAL 29 34.807 27.333 18.647 222 HG22 VAL 29 HG22 VAL 29 34.328 27.650 20.331 223 HG23 VAL 29 HG23 VAL 29 34.920 28.975 19.301 224 HA PRO 30 HA PRO 30 38.870 32.177 20.672 225 HB2 PRO 30 HB2 PRO 30 40.209 31.214 18.142 226 HB3 PRO 30 HB3 PRO 30 40.846 32.298 19.413 227 HG2 PRO 30 HG2 PRO 30 41.580 29.700 19.371 228 HG3 PRO 30 HG3 PRO 30 41.131 30.462 20.932 229 HD2 PRO 30 HD2 PRO 30 39.430 28.700 19.137 230 HD3 PRO 30 HD3 PRO 30 39.660 28.644 20.912 231 H TYR 31 H TYR 31 38.268 34.008 19.674 232 HA TYR 31 HA TYR 31 36.194 34.062 17.629 233 HB2 TYR 31 HB2 TYR 31 37.867 36.154 19.056 234 HB3 TYR 31 HB3 TYR 31 36.925 36.579 17.646 235 HD1 TYR 31 HD1 TYR 31 36.666 35.321 21.152 236 HD2 TYR 31 HD2 TYR 31 34.575 36.838 17.696 237 HE1 TYR 31 HE1 TYR 31 34.589 35.594 22.506 238 HE2 TYR 31 HE2 TYR 31 32.515 37.109 19.046 239 HH TYR 31 HH TYR 31 31.523 36.748 21.034 240 H ASN 32 H ASN 32 36.369 34.760 15.524 241 HA ASN 32 HA ASN 32 39.079 34.713 14.254 242 HB2 ASN 32 HB2 ASN 32 36.414 33.888 13.013 243 HB3 ASN 32 HB3 ASN 32 38.003 33.805 12.262 244 HD21 ASN 32 HD21 ASN 32 38.829 30.980 14.613 245 HD22 ASN 32 HD22 ASN 32 39.332 32.653 14.721 Start of MODEL 9 1 H1 ALA 1 H1 ALA 1 21.413 18.808 15.340 2 H2 ALA 1 H2 ALA 1 21.433 20.301 16.057 3 H3 ALA 1 H3 ALA 1 20.047 19.388 16.034 4 HA ALA 1 HA ALA 1 21.018 17.718 17.383 5 HB1 ALA 1 HB1 ALA 1 23.157 18.141 18.510 6 HB2 ALA 1 HB2 ALA 1 23.366 18.060 16.761 7 HB3 ALA 1 HB3 ALA 1 23.377 19.638 17.586 8 H PHE 2 H PHE 2 20.380 17.725 19.520 9 HA PHE 2 HA PHE 2 18.755 19.999 20.243 10 HB2 PHE 2 HB2 PHE 2 19.095 17.390 21.741 11 HB3 PHE 2 HB3 PHE 2 17.737 18.502 21.817 12 HD1 PHE 2 HD1 PHE 2 16.285 18.830 19.706 13 HD2 PHE 2 HD2 PHE 2 19.131 15.620 20.144 14 HE1 PHE 2 HE1 PHE 2 15.203 17.602 17.835 15 HE2 PHE 2 HE2 PHE 2 18.096 14.433 18.240 16 HZ PHE 2 HZ PHE 2 16.115 15.421 17.081 17 H CYS 3 H CYS 3 21.601 20.551 20.656 18 HA CYS 3 HA CYS 3 22.195 20.371 23.488 19 HB2 CYS 3 HB2 CYS 3 24.317 21.508 22.795 20 HB3 CYS 3 HB3 CYS 3 23.962 19.992 21.983 21 H ASN 4 H ASN 4 22.868 22.061 24.861 22 HA ASN 4 HA ASN 4 21.110 24.393 24.932 23 HB2 ASN 4 HB2 ASN 4 23.393 23.522 26.742 24 HB3 ASN 4 HB3 ASN 4 22.232 24.792 27.109 25 HD21 ASN 4 HD21 ASN 4 19.637 22.496 27.966 26 HD22 ASN 4 HD22 ASN 4 20.000 24.168 27.594 27 H LEU 5 H LEU 5 22.110 25.128 22.716 28 HA LEU 5 HA LEU 5 24.804 26.127 22.768 29 HB2 LEU 5 HB2 LEU 5 23.775 25.400 20.710 30 HB3 LEU 5 HB3 LEU 5 22.528 26.641 20.828 31 HG LEU 5 HG LEU 5 24.206 28.424 20.541 32 HD11 LEU 5 HD11 LEU 5 26.211 26.149 20.263 33 HD12 LEU 5 HD12 LEU 5 26.529 27.859 19.912 34 HD13 LEU 5 HD13 LEU 5 26.204 27.362 21.559 35 HD21 LEU 5 HD21 LEU 5 23.150 27.441 18.554 36 HD22 LEU 5 HD22 LEU 5 24.817 27.935 18.217 37 HD23 LEU 5 HD23 LEU 5 24.437 26.217 18.457 38 H ARG 6 H ARG 6 21.678 27.853 23.182 39 HA ARG 6 HA ARG 6 22.722 30.503 23.222 40 HB2 ARG 6 HB2 ARG 6 20.332 29.858 23.023 41 HB3 ARG 6 HB3 ARG 6 20.324 29.345 24.714 42 HG2 ARG 6 HG2 ARG 6 20.785 31.674 25.432 43 HG3 ARG 6 HG3 ARG 6 20.913 32.176 23.736 44 HD2 ARG 6 HD2 ARG 6 18.728 32.791 24.613 45 HD3 ARG 6 HD3 ARG 6 18.559 31.557 23.358 46 HE ARG 6 HE ARG 6 18.680 30.551 26.134 47 HH11 ARG 6 HH11 ARG 6 16.425 31.834 23.778 48 HH12 ARG 6 HH12 ARG 6 15.121 30.802 24.373 49 HH21 ARG 6 HH21 ARG 6 16.862 29.381 26.870 50 HH22 ARG 6 HH22 ARG 6 15.329 29.636 26.040 51 H ARG 7 H ARG 7 22.401 28.168 25.903 52 HA ARG 7 HA ARG 7 23.539 29.870 27.928 53 HB2 ARG 7 HB2 ARG 7 22.156 27.816 28.275 54 HB3 ARG 7 HB3 ARG 7 23.557 26.835 27.818 55 HG2 ARG 7 HG2 ARG 7 24.829 27.701 29.737 56 HG3 ARG 7 HG3 ARG 7 23.566 28.897 30.078 57 HD2 ARG 7 HD2 ARG 7 23.338 27.076 31.647 58 HD3 ARG 7 HD3 ARG 7 21.955 27.081 30.547 59 HE ARG 7 HE ARG 7 24.089 25.340 29.601 60 HH11 ARG 7 HH11 ARG 7 21.439 25.343 31.958 61 HH12 ARG 7 HH12 ARG 7 21.195 23.609 31.711 62 HH21 ARG 7 HH21 ARG 7 23.787 23.220 29.545 63 HH22 ARG 7 HH22 ARG 7 22.450 22.469 30.462 64 H CYS 8 H CYS 8 25.082 27.564 25.666 65 HA CYS 8 HA CYS 8 27.772 27.846 26.718 66 HB2 CYS 8 HB2 CYS 8 26.948 25.993 25.276 67 HB3 CYS 8 HB3 CYS 8 26.722 27.120 23.950 68 H GLU 9 H GLU 9 26.101 29.638 24.089 69 HA GLU 9 HA GLU 9 28.333 31.279 23.441 70 HB2 GLU 9 HB2 GLU 9 25.342 31.705 23.182 71 HB3 GLU 9 HB3 GLU 9 26.537 32.878 22.588 72 HG2 GLU 9 HG2 GLU 9 27.619 31.113 21.241 73 HG3 GLU 9 HG3 GLU 9 26.403 29.945 21.753 74 H LEU 10 H LEU 10 26.051 31.669 26.152 75 HA LEU 10 HA LEU 10 27.324 34.243 26.874 76 HB2 LEU 10 HB2 LEU 10 25.698 34.466 28.617 77 HB3 LEU 10 HB3 LEU 10 24.962 34.155 27.066 78 HG LEU 10 HG LEU 10 24.656 31.726 27.837 79 HD11 LEU 10 HD11 LEU 10 24.366 31.467 30.323 80 HD12 LEU 10 HD12 LEU 10 26.054 31.633 29.870 81 HD13 LEU 10 HD13 LEU 10 25.184 33.024 30.555 82 HD21 LEU 10 HD21 LEU 10 22.825 33.360 27.668 83 HD22 LEU 10 HD22 LEU 10 22.593 32.295 29.056 84 HD23 LEU 10 HD23 LEU 10 23.189 33.953 29.301 85 H SER 11 H SER 11 27.578 30.883 27.785 86 HA SER 11 HA SER 11 28.987 31.323 30.288 87 HB2 SER 11 HB2 SER 11 27.667 29.296 29.803 88 HB3 SER 11 HB3 SER 11 28.814 28.839 28.536 89 HG SER 11 HG SER 11 30.366 28.454 30.058 90 H CYS 12 H CYS 12 30.013 30.398 26.961 91 HA CYS 12 HA CYS 12 32.858 30.488 27.602 92 HB2 CYS 12 HB2 CYS 12 31.378 30.660 24.958 93 HB3 CYS 12 HB3 CYS 12 33.118 30.498 25.118 94 H ARG 13 H ARG 13 30.449 32.889 26.540 95 HA ARG 13 HA ARG 13 32.392 34.963 25.895 96 HB2 ARG 13 HB2 ARG 13 30.073 35.133 25.166 97 HB3 ARG 13 HB3 ARG 13 29.521 35.270 26.847 98 HG2 ARG 13 HG2 ARG 13 30.775 37.420 27.056 99 HG3 ARG 13 HG3 ARG 13 31.422 37.210 25.433 100 HD2 ARG 13 HD2 ARG 13 29.585 38.806 25.398 101 HD3 ARG 13 HD3 ARG 13 29.170 37.351 24.479 102 HE ARG 13 HE ARG 13 28.296 37.569 27.325 103 HH11 ARG 13 HH11 ARG 13 27.259 37.971 23.984 104 HH12 ARG 13 HH12 ARG 13 25.591 37.701 24.420 105 HH21 ARG 13 HH21 ARG 13 26.047 37.205 27.709 106 HH22 ARG 13 HH22 ARG 13 24.991 37.112 26.319 107 H SER 14 H SER 14 30.908 33.929 28.968 108 HA SER 14 HA SER 14 32.130 35.981 30.523 109 HB2 SER 14 HB2 SER 14 30.210 34.568 31.261 110 HB3 SER 14 HB3 SER 14 31.342 33.228 31.493 111 HG SER 14 HG SER 14 32.532 34.695 32.893 112 H LEU 15 H LEU 15 33.671 33.350 28.950 113 HA LEU 15 HA LEU 15 36.100 33.537 30.676 114 HB2 LEU 15 HB2 LEU 15 35.578 31.773 28.254 115 HB3 LEU 15 HB3 LEU 15 36.953 31.693 29.341 116 HG LEU 15 HG LEU 15 34.069 31.022 30.070 117 HD11 LEU 15 HD11 LEU 15 36.526 29.256 29.730 118 HD12 LEU 15 HD12 LEU 15 34.896 28.727 30.198 119 HD13 LEU 15 HD13 LEU 15 35.177 29.388 28.580 120 HD21 LEU 15 HD21 LEU 15 35.235 31.883 32.055 121 HD22 LEU 15 HD22 LEU 15 35.074 30.128 32.175 122 HD23 LEU 15 HD23 LEU 15 36.633 30.837 31.713 123 H GLY 16 H GLY 16 34.729 35.066 27.964 124 HA2 GLY 16 HA2 GLY 16 35.650 36.706 26.576 125 HA3 GLY 16 HA3 GLY 16 37.282 36.223 27.033 126 H LEU 17 H LEU 17 34.845 33.885 25.921 127 HA LEU 17 HA LEU 17 36.324 33.439 23.365 128 HB2 LEU 17 HB2 LEU 17 35.259 31.369 25.329 129 HB3 LEU 17 HB3 LEU 17 36.007 31.003 23.785 130 HG LEU 17 HG LEU 17 37.334 32.238 26.185 131 HD11 LEU 17 HD11 LEU 17 37.665 29.481 25.001 132 HD12 LEU 17 HD12 LEU 17 38.661 30.168 26.294 133 HD13 LEU 17 HD13 LEU 17 36.947 29.913 26.582 134 HD21 LEU 17 HD21 LEU 17 38.636 31.333 23.582 135 HD22 LEU 17 HD22 LEU 17 38.424 33.027 24.071 136 HD23 LEU 17 HD23 LEU 17 39.484 31.974 25.000 137 H LEU 18 H LEU 18 35.218 32.392 21.715 138 HA LEU 18 HA LEU 18 32.353 32.895 21.410 139 HB2 LEU 18 HB2 LEU 18 33.778 33.137 19.490 140 HB3 LEU 18 HB3 LEU 18 34.519 31.571 19.753 141 HG LEU 18 HG LEU 18 32.408 30.433 19.143 142 HD11 LEU 18 HD11 LEU 18 31.400 33.253 18.553 143 HD12 LEU 18 HD12 LEU 18 30.600 31.747 18.062 144 HD13 LEU 18 HD13 LEU 18 30.747 32.133 19.774 145 HD21 LEU 18 HD21 LEU 18 33.330 32.495 17.101 146 HD22 LEU 18 HD22 LEU 18 34.121 30.939 17.432 147 HD23 LEU 18 HD23 LEU 18 32.486 30.970 16.755 148 H GLY 19 H GLY 19 30.796 31.528 22.054 149 HA2 GLY 19 HA2 GLY 19 31.391 28.751 22.901 150 HA3 GLY 19 HA3 GLY 19 29.877 29.609 23.125 151 H LYS 20 H LYS 20 31.001 26.996 21.683 152 HA LYS 20 HA LYS 20 29.163 27.102 19.348 153 HB2 LYS 20 HB2 LYS 20 31.424 27.887 18.743 154 HB3 LYS 20 HB3 LYS 20 32.132 26.383 19.324 155 HG2 LYS 20 HG2 LYS 20 29.917 26.275 17.269 156 HG3 LYS 20 HG3 LYS 20 31.506 26.832 16.750 157 HD2 LYS 20 HD2 LYS 20 32.576 24.814 17.252 158 HD3 LYS 20 HD3 LYS 20 31.263 24.242 18.303 159 HE2 LYS 20 HE2 LYS 20 29.952 23.562 16.619 160 HE3 LYS 20 HE3 LYS 20 30.388 24.911 15.574 161 HZ1 LYS 20 HZ1 LYS 20 31.179 22.695 14.783 162 HZ2 LYS 20 HZ2 LYS 20 32.371 23.816 14.917 163 HZ3 LYS 20 HZ3 LYS 20 32.238 22.653 16.051 164 H CYS 21 H CYS 21 27.956 25.296 19.164 165 HA CYS 21 HA CYS 21 28.454 23.060 21.070 166 HB2 CYS 21 HB2 CYS 21 26.208 23.780 21.028 167 HB3 CYS 21 HB3 CYS 21 26.152 23.806 19.260 168 H ILE 22 H ILE 22 29.725 21.391 20.476 169 HA ILE 22 HA ILE 22 30.378 20.927 17.654 170 HB ILE 22 HB ILE 22 32.079 20.735 19.334 171 HG12 ILE 22 HG12 ILE 22 31.595 18.004 18.086 172 HG13 ILE 22 HG13 ILE 22 32.104 19.425 17.172 173 HG21 ILE 22 HG21 ILE 22 30.609 18.303 20.420 174 HG22 ILE 22 HG22 ILE 22 32.227 18.826 20.901 175 HG23 ILE 22 HG23 ILE 22 30.849 19.849 21.260 176 HD11 ILE 22 HD11 ILE 22 33.681 18.046 19.375 177 HD12 ILE 22 HD12 ILE 22 34.052 18.103 17.649 178 HD13 ILE 22 HD13 ILE 22 34.153 19.586 18.619 179 H GLY 23 H GLY 23 28.200 19.506 19.967 180 HA2 GLY 23 HA2 GLY 23 26.360 18.556 18.100 181 HA3 GLY 23 HA3 GLY 23 27.405 17.165 18.447 182 H GLU 24 H GLU 24 27.862 17.016 20.987 183 HA GLU 24 HA GLU 24 25.309 17.469 22.502 184 HB2 GLU 24 HB2 GLU 24 27.139 15.054 22.751 185 HB3 GLU 24 HB3 GLU 24 25.640 15.394 23.621 186 HG2 GLU 24 HG2 GLU 24 24.521 15.478 21.277 187 HG3 GLU 24 HG3 GLU 24 25.972 14.663 20.703 188 H GLU 25 H GLU 25 28.132 18.877 22.378 189 HA GLU 25 HA GLU 25 28.181 19.484 25.243 190 HB2 GLU 25 HB2 GLU 25 29.694 17.539 24.966 191 HB3 GLU 25 HB3 GLU 25 30.630 18.432 23.775 192 HG2 GLU 25 HG2 GLU 25 31.768 18.331 25.923 193 HG3 GLU 25 HG3 GLU 25 31.395 19.992 25.500 194 H CYS 26 H CYS 26 29.266 21.406 25.766 195 HA CYS 26 HA CYS 26 29.294 23.471 23.657 196 HB2 CYS 26 HB2 CYS 26 28.188 23.965 25.742 197 HB3 CYS 26 HB3 CYS 26 29.590 23.453 26.671 198 H LYS 27 H LYS 27 31.120 24.153 22.631 199 HA LYS 27 HA LYS 27 33.827 23.742 23.841 200 HB2 LYS 27 HB2 LYS 27 33.003 24.410 20.981 201 HB3 LYS 27 HB3 LYS 27 34.643 24.165 21.541 202 HG2 LYS 27 HG2 LYS 27 32.476 22.003 21.488 203 HG3 LYS 27 HG3 LYS 27 33.719 22.273 20.269 204 HD2 LYS 27 HD2 LYS 27 34.937 20.784 21.384 205 HD3 LYS 27 HD3 LYS 27 35.293 22.109 22.492 206 HE2 LYS 27 HE2 LYS 27 33.333 21.356 23.905 207 HE3 LYS 27 HE3 LYS 27 33.150 19.967 22.809 208 HZ1 LYS 27 HZ1 LYS 27 35.488 20.609 24.501 209 HZ2 LYS 27 HZ2 LYS 27 34.561 19.264 24.641 210 HZ3 LYS 27 HZ3 LYS 27 35.551 19.463 23.344 211 H CYS 28 H CYS 28 35.004 25.486 24.407 212 HA CYS 28 HA CYS 28 34.145 28.256 23.623 213 HB2 CYS 28 HB2 CYS 28 35.904 27.465 25.922 214 HB3 CYS 28 HB3 CYS 28 35.263 29.053 25.499 215 H VAL 29 H VAL 29 35.426 29.326 22.263 216 HA VAL 29 HA VAL 29 38.241 28.512 21.758 217 HB VAL 29 HB VAL 29 37.757 28.537 19.284 218 HG11 VAL 29 HG11 VAL 29 37.081 26.232 19.145 219 HG12 VAL 29 HG12 VAL 29 38.133 26.435 20.552 220 HG13 VAL 29 HG13 VAL 29 36.375 26.277 20.769 221 HG21 VAL 29 HG21 VAL 29 35.506 28.023 18.481 222 HG22 VAL 29 HG22 VAL 29 34.850 28.157 20.123 223 HG23 VAL 29 HG23 VAL 29 35.518 29.587 19.302 224 HA PRO 30 HA PRO 30 38.757 32.780 21.586 225 HB2 PRO 30 HB2 PRO 30 40.851 33.267 19.872 226 HB3 PRO 30 HB3 PRO 30 41.024 32.471 21.480 227 HG2 PRO 30 HG2 PRO 30 40.778 31.153 18.751 228 HG3 PRO 30 HG3 PRO 30 41.963 30.801 20.045 229 HD2 PRO 30 HD2 PRO 30 39.731 29.309 19.701 230 HD3 PRO 30 HD3 PRO 30 40.334 29.655 21.338 231 H TYR 31 H TYR 31 38.149 34.707 20.626 232 HA TYR 31 HA TYR 31 36.478 34.636 18.225 233 HB2 TYR 31 HB2 TYR 31 37.722 37.001 19.698 234 HB3 TYR 31 HB3 TYR 31 36.464 37.095 18.494 235 HD1 TYR 31 HD1 TYR 31 36.951 37.483 21.840 236 HD2 TYR 31 HD2 TYR 31 34.366 35.358 19.120 237 HE1 TYR 31 HE1 TYR 31 35.120 37.551 23.514 238 HE2 TYR 31 HE2 TYR 31 32.567 35.370 20.838 239 HH TYR 31 HH TYR 31 32.449 37.501 23.282 240 H ASN 32 H ASN 32 36.940 35.453 16.159 241 HA ASN 32 HA ASN 32 39.803 35.829 15.376 242 HB2 ASN 32 HB2 ASN 32 37.216 35.518 13.781 243 HB3 ASN 32 HB3 ASN 32 38.725 36.053 13.049 244 HD21 ASN 32 HD21 ASN 32 39.749 32.428 14.243 245 HD22 ASN 32 HD22 ASN 32 39.662 33.773 15.351 Start of MODEL 10 1 H1 ALA 1 H1 ALA 1 18.222 16.111 19.272 2 H2 ALA 1 H2 ALA 1 17.910 14.948 20.404 3 H3 ALA 1 H3 ALA 1 19.399 15.659 20.309 4 HA ALA 1 HA ALA 1 16.907 17.033 21.056 5 HB1 ALA 1 HB1 ALA 1 17.726 15.530 22.864 6 HB2 ALA 1 HB2 ALA 1 19.321 16.300 22.772 7 HB3 ALA 1 HB3 ALA 1 17.909 17.233 23.304 8 H PHE 2 H PHE 2 17.077 19.288 21.289 9 HA PHE 2 HA PHE 2 19.120 20.514 19.680 10 HB2 PHE 2 HB2 PHE 2 17.219 21.840 21.641 11 HB3 PHE 2 HB3 PHE 2 18.134 22.644 20.364 12 HD1 PHE 2 HD1 PHE 2 15.129 20.759 21.161 13 HD2 PHE 2 HD2 PHE 2 17.659 22.057 17.920 14 HE1 PHE 2 HE1 PHE 2 13.366 20.141 19.540 15 HE2 PHE 2 HE2 PHE 2 15.865 21.485 16.300 16 HZ PHE 2 HZ PHE 2 13.721 20.502 17.105 17 H CYS 3 H CYS 3 21.115 21.222 20.135 18 HA CYS 3 HA CYS 3 22.270 20.787 22.740 19 HB2 CYS 3 HB2 CYS 3 24.311 21.411 21.802 20 HB3 CYS 3 HB3 CYS 3 23.455 20.609 20.495 21 H ASN 4 H ASN 4 23.035 22.304 24.249 22 HA ASN 4 HA ASN 4 21.286 24.594 24.552 23 HB2 ASN 4 HB2 ASN 4 23.530 23.684 26.366 24 HB3 ASN 4 HB3 ASN 4 22.189 24.735 26.796 25 HD21 ASN 4 HD21 ASN 4 21.646 21.132 27.882 26 HD22 ASN 4 HD22 ASN 4 23.021 22.217 28.033 27 H LEU 5 H LEU 5 22.828 25.106 22.315 28 HA LEU 5 HA LEU 5 25.194 26.551 22.523 29 HB2 LEU 5 HB2 LEU 5 24.162 25.709 20.475 30 HB3 LEU 5 HB3 LEU 5 22.870 26.884 20.580 31 HG LEU 5 HG LEU 5 24.617 27.288 18.864 32 HD11 LEU 5 HD11 LEU 5 24.757 29.638 19.045 33 HD12 LEU 5 HD12 LEU 5 23.198 29.159 19.730 34 HD13 LEU 5 HD13 LEU 5 24.550 29.628 20.793 35 HD21 LEU 5 HD21 LEU 5 26.583 26.576 20.181 36 HD22 LEU 5 HD22 LEU 5 26.786 28.167 19.425 37 HD23 LEU 5 HD23 LEU 5 26.452 28.061 21.162 38 H ARG 6 H ARG 6 21.861 27.850 22.895 39 HA ARG 6 HA ARG 6 22.517 30.611 23.165 40 HB2 ARG 6 HB2 ARG 6 20.387 28.984 24.639 41 HB3 ARG 6 HB3 ARG 6 20.412 30.745 24.555 42 HG2 ARG 6 HG2 ARG 6 20.051 30.715 22.145 43 HG3 ARG 6 HG3 ARG 6 20.123 28.956 22.100 44 HD2 ARG 6 HD2 ARG 6 18.051 30.628 23.563 45 HD3 ARG 6 HD3 ARG 6 17.797 29.749 22.046 46 HE ARG 6 HE ARG 6 18.679 27.884 24.024 47 HH11 ARG 6 HH11 ARG 6 15.756 29.835 23.494 48 HH12 ARG 6 HH12 ARG 6 14.790 28.622 24.328 49 HH21 ARG 6 HH21 ARG 6 17.441 26.706 25.258 50 HH22 ARG 6 HH22 ARG 6 15.776 27.164 25.594 51 H ARG 7 H ARG 7 22.832 28.054 25.532 52 HA ARG 7 HA ARG 7 23.536 29.837 27.785 53 HB2 ARG 7 HB2 ARG 7 23.865 26.819 27.689 54 HB3 ARG 7 HB3 ARG 7 23.686 27.855 29.091 55 HG2 ARG 7 HG2 ARG 7 21.547 27.088 27.067 56 HG3 ARG 7 HG3 ARG 7 21.678 26.545 28.730 57 HD2 ARG 7 HD2 ARG 7 21.114 29.404 27.846 58 HD3 ARG 7 HD3 ARG 7 19.897 28.238 28.378 59 HE ARG 7 HE ARG 7 21.578 28.252 30.515 60 HH11 ARG 7 HH11 ARG 7 19.747 30.774 28.892 61 HH12 ARG 7 HH12 ARG 7 19.838 31.838 30.286 62 HH21 ARG 7 HH21 ARG 7 21.573 29.690 32.276 63 HH22 ARG 7 HH22 ARG 7 20.825 31.277 32.035 64 H CYS 8 H CYS 8 25.140 27.644 25.511 65 HA CYS 8 HA CYS 8 27.804 27.841 26.581 66 HB2 CYS 8 HB2 CYS 8 26.876 26.116 24.983 67 HB3 CYS 8 HB3 CYS 8 26.823 27.355 23.740 68 H GLU 9 H GLU 9 26.192 29.871 24.041 69 HA GLU 9 HA GLU 9 28.535 31.433 23.629 70 HB2 GLU 9 HB2 GLU 9 27.333 32.895 22.370 71 HB3 GLU 9 HB3 GLU 9 26.573 31.327 22.076 72 HG2 GLU 9 HG2 GLU 9 24.653 31.914 23.350 73 HG3 GLU 9 HG3 GLU 9 25.419 33.344 24.037 74 H LEU 10 H LEU 10 26.288 31.633 26.276 75 HA LEU 10 HA LEU 10 27.544 34.176 27.203 76 HB2 LEU 10 HB2 LEU 10 25.741 34.401 28.776 77 HB3 LEU 10 HB3 LEU 10 25.193 34.274 27.118 78 HG LEU 10 HG LEU 10 24.653 31.807 27.633 79 HD11 LEU 10 HD11 LEU 10 24.046 31.362 30.018 80 HD12 LEU 10 HD12 LEU 10 25.783 31.513 29.812 81 HD13 LEU 10 HD13 LEU 10 24.855 32.868 30.490 82 HD21 LEU 10 HD21 LEU 10 22.474 32.419 28.587 83 HD22 LEU 10 HD22 LEU 10 23.119 34.012 29.041 84 HD23 LEU 10 HD23 LEU 10 22.965 33.560 27.330 85 H SER 11 H SER 11 27.670 30.772 27.861 86 HA SER 11 HA SER 11 28.996 31.108 30.463 87 HB2 SER 11 HB2 SER 11 27.622 29.173 30.123 88 HB3 SER 11 HB3 SER 11 28.517 28.728 28.660 89 HG SER 11 HG SER 11 29.618 28.888 31.295 90 H CYS 12 H CYS 12 30.083 30.186 27.115 91 HA CYS 12 HA CYS 12 32.892 30.214 27.770 92 HB2 CYS 12 HB2 CYS 12 31.421 30.745 25.161 93 HB3 CYS 12 HB3 CYS 12 33.165 30.576 25.304 94 H ARG 13 H ARG 13 30.558 32.752 27.325 95 HA ARG 13 HA ARG 13 32.348 34.965 26.777 96 HB2 ARG 13 HB2 ARG 13 29.783 34.850 26.573 97 HB3 ARG 13 HB3 ARG 13 29.742 35.129 28.312 98 HG2 ARG 13 HG2 ARG 13 31.025 37.285 27.896 99 HG3 ARG 13 HG3 ARG 13 30.903 36.954 26.157 100 HD2 ARG 13 HD2 ARG 13 29.123 38.486 26.766 101 HD3 ARG 13 HD3 ARG 13 28.394 36.912 26.394 102 HE ARG 13 HE ARG 13 29.082 37.459 29.226 103 HH11 ARG 13 HH11 ARG 13 26.309 37.348 26.967 104 HH12 ARG 13 HH12 ARG 13 25.238 37.206 28.357 105 HH21 ARG 13 HH21 ARG 13 27.548 37.476 30.752 106 HH22 ARG 13 HH22 ARG 13 25.871 37.194 30.277 107 H SER 14 H SER 14 31.594 33.228 29.768 108 HA SER 14 HA SER 14 32.699 35.178 31.545 109 HB2 SER 14 HB2 SER 14 31.283 33.256 32.281 110 HB3 SER 14 HB3 SER 14 32.649 32.165 31.939 111 HG SER 14 HG SER 14 32.450 34.280 33.826 112 H LEU 15 H LEU 15 34.177 32.745 29.485 113 HA LEU 15 HA LEU 15 36.928 33.251 30.472 114 HB2 LEU 15 HB2 LEU 15 35.923 31.501 28.194 115 HB3 LEU 15 HB3 LEU 15 37.553 31.538 28.833 116 HG LEU 15 HG LEU 15 35.082 30.551 30.324 117 HD11 LEU 15 HD11 LEU 15 36.161 28.351 30.087 118 HD12 LEU 15 HD12 LEU 15 35.829 29.065 28.507 119 HD13 LEU 15 HD13 LEU 15 37.487 29.081 29.154 120 HD21 LEU 15 HD21 LEU 15 38.024 30.580 31.147 121 HD22 LEU 15 HD22 LEU 15 36.700 31.487 31.925 122 HD23 LEU 15 HD23 LEU 15 36.718 29.725 32.004 123 H GLY 16 H GLY 16 34.816 34.827 28.401 124 HA2 GLY 16 HA2 GLY 16 35.090 36.465 26.820 125 HA3 GLY 16 HA3 GLY 16 36.843 36.339 26.966 126 H LEU 17 H LEU 17 34.898 33.466 26.157 127 HA LEU 17 HA LEU 17 36.109 33.488 23.410 128 HB2 LEU 17 HB2 LEU 17 35.413 31.173 25.231 129 HB3 LEU 17 HB3 LEU 17 36.002 31.013 23.579 130 HG LEU 17 HG LEU 17 37.481 32.071 25.973 131 HD11 LEU 17 HD11 LEU 17 37.399 29.654 25.893 132 HD12 LEU 17 HD12 LEU 17 38.007 29.667 24.211 133 HD13 LEU 17 HD13 LEU 17 39.031 30.210 25.549 134 HD21 LEU 17 HD21 LEU 17 38.437 31.945 23.076 135 HD22 LEU 17 HD22 LEU 17 38.245 33.416 24.058 136 HD23 LEU 17 HD23 LEU 17 39.493 32.244 24.472 137 H LEU 18 H LEU 18 35.044 32.424 21.742 138 HA LEU 18 HA LEU 18 32.181 32.880 21.509 139 HB2 LEU 18 HB2 LEU 18 33.655 33.198 19.618 140 HB3 LEU 18 HB3 LEU 18 34.277 31.565 19.758 141 HG LEU 18 HG LEU 18 32.115 30.613 19.100 142 HD11 LEU 18 HD11 LEU 18 31.230 33.521 18.858 143 HD12 LEU 18 HD12 LEU 18 30.350 32.132 18.174 144 HD13 LEU 18 HD13 LEU 18 30.524 32.293 19.922 145 HD21 LEU 18 HD21 LEU 18 33.831 31.292 17.395 146 HD22 LEU 18 HD22 LEU 18 32.172 31.276 16.795 147 HD23 LEU 18 HD23 LEU 18 32.937 32.827 17.186 148 H GLY 19 H GLY 19 30.630 31.481 22.074 149 HA2 GLY 19 HA2 GLY 19 31.189 28.659 22.735 150 HA3 GLY 19 HA3 GLY 19 29.662 29.502 22.928 151 H LYS 20 H LYS 20 30.979 27.043 21.384 152 HA LYS 20 HA LYS 20 28.910 26.929 19.242 153 HB2 LYS 20 HB2 LYS 20 31.807 27.002 18.926 154 HB3 LYS 20 HB3 LYS 20 31.273 25.370 18.586 155 HG2 LYS 20 HG2 LYS 20 31.324 26.597 16.565 156 HG3 LYS 20 HG3 LYS 20 29.643 26.231 16.934 157 HD2 LYS 20 HD2 LYS 20 29.205 28.531 17.614 158 HD3 LYS 20 HD3 LYS 20 30.949 28.938 17.546 159 HE2 LYS 20 HE2 LYS 20 31.031 28.438 15.191 160 HE3 LYS 20 HE3 LYS 20 29.384 27.809 15.222 161 HZ1 LYS 20 HZ1 LYS 20 29.361 29.954 14.261 162 HZ2 LYS 20 HZ2 LYS 20 28.618 30.115 15.697 163 HZ3 LYS 20 HZ3 LYS 20 30.164 30.674 15.474 164 H CYS 21 H CYS 21 27.988 24.778 18.965 165 HA CYS 21 HA CYS 21 28.810 22.845 21.087 166 HB2 CYS 21 HB2 CYS 21 26.718 21.937 21.143 167 HB3 CYS 21 HB3 CYS 21 26.477 23.669 21.165 168 H ILE 22 H ILE 22 29.870 21.053 20.534 169 HA ILE 22 HA ILE 22 30.434 20.534 17.677 170 HB ILE 22 HB ILE 22 32.196 20.571 19.383 171 HG12 ILE 22 HG12 ILE 22 32.011 17.842 18.045 172 HG13 ILE 22 HG13 ILE 22 32.386 19.346 17.196 173 HG21 ILE 22 HG21 ILE 22 32.542 18.708 20.942 174 HG22 ILE 22 HG22 ILE 22 31.002 19.480 21.258 175 HG23 ILE 22 HG23 ILE 22 31.051 17.927 20.395 176 HD11 ILE 22 HD11 ILE 22 34.045 18.047 19.393 177 HD12 ILE 22 HD12 ILE 22 34.439 18.224 17.681 178 HD13 ILE 22 HD13 ILE 22 34.364 19.664 18.715 179 H GLY 23 H GLY 23 28.322 19.398 20.029 180 HA2 GLY 23 HA2 GLY 23 26.762 17.683 18.343 181 HA3 GLY 23 HA3 GLY 23 27.701 16.723 19.510 182 H GLU 24 H GLU 24 26.800 16.489 21.481 183 HA GLU 24 HA GLU 24 24.670 18.287 22.508 184 HB2 GLU 24 HB2 GLU 24 26.146 15.933 23.781 185 HB3 GLU 24 HB3 GLU 24 24.824 16.837 24.520 186 HG2 GLU 24 HG2 GLU 24 23.270 16.082 22.780 187 HG3 GLU 24 HG3 GLU 24 24.561 15.224 21.954 188 H GLU 25 H GLU 25 28.116 17.735 22.792 189 HA GLU 25 HA GLU 25 28.635 19.235 25.185 190 HB2 GLU 25 HB2 GLU 25 29.911 17.296 24.434 191 HB3 GLU 25 HB3 GLU 25 30.319 18.098 22.943 192 HG2 GLU 25 HG2 GLU 25 32.279 18.256 24.074 193 HG3 GLU 25 HG3 GLU 25 31.601 19.833 24.410 194 H CYS 26 H CYS 26 29.324 21.271 25.558 195 HA CYS 26 HA CYS 26 29.412 23.287 23.405 196 HB2 CYS 26 HB2 CYS 26 28.140 23.843 25.339 197 HB3 CYS 26 HB3 CYS 26 29.421 23.322 26.421 198 H LYS 27 H LYS 27 31.202 24.082 22.527 199 HA LYS 27 HA LYS 27 33.888 23.822 23.787 200 HB2 LYS 27 HB2 LYS 27 33.099 24.417 20.909 201 HB3 LYS 27 HB3 LYS 27 34.730 24.127 21.488 202 HG2 LYS 27 HG2 LYS 27 32.513 22.007 21.534 203 HG3 LYS 27 HG3 LYS 27 33.613 22.282 20.197 204 HD2 LYS 27 HD2 LYS 27 34.447 20.465 21.382 205 HD3 LYS 27 HD3 LYS 27 35.545 21.824 21.653 206 HE2 LYS 27 HE2 LYS 27 34.676 22.102 23.935 207 HE3 LYS 27 HE3 LYS 27 33.457 20.845 23.651 208 HZ1 LYS 27 HZ1 LYS 27 36.404 20.438 23.592 209 HZ2 LYS 27 HZ2 LYS 27 35.442 19.956 24.813 210 HZ3 LYS 27 HZ3 LYS 27 35.305 19.270 23.318 211 H CYS 28 H CYS 28 35.160 25.526 24.010 212 HA CYS 28 HA CYS 28 34.132 28.290 23.458 213 HB2 CYS 28 HB2 CYS 28 35.991 27.483 25.680 214 HB3 CYS 28 HB3 CYS 28 35.326 29.068 25.338 215 H VAL 29 H VAL 29 35.277 29.395 22.015 216 HA VAL 29 HA VAL 29 38.082 28.649 21.328 217 HB VAL 29 HB VAL 29 37.441 28.485 18.923 218 HG11 VAL 29 HG11 VAL 29 36.016 26.413 20.623 219 HG12 VAL 29 HG12 VAL 29 36.623 26.237 18.977 220 HG13 VAL 29 HG13 VAL 29 37.771 26.469 20.297 221 HG21 VAL 29 HG21 VAL 29 35.291 29.678 18.927 222 HG22 VAL 29 HG22 VAL 29 35.134 28.057 18.253 223 HG23 VAL 29 HG23 VAL 29 34.556 28.380 19.896 224 HA PRO 30 HA PRO 30 38.568 32.947 20.153 225 HB2 PRO 30 HB2 PRO 30 39.765 31.933 17.570 226 HB3 PRO 30 HB3 PRO 30 40.387 33.197 18.681 227 HG2 PRO 30 HG2 PRO 30 41.471 30.722 18.725 228 HG3 PRO 30 HG3 PRO 30 41.085 31.545 20.276 229 HD2 PRO 30 HD2 PRO 30 39.453 29.455 18.804 230 HD3 PRO 30 HD3 PRO 30 39.894 29.527 20.536 231 H TYR 31 H TYR 31 37.414 34.493 19.018 232 HA TYR 31 HA TYR 31 34.976 33.667 17.792 233 HB2 TYR 31 HB2 TYR 31 36.320 36.364 18.048 234 HB3 TYR 31 HB3 TYR 31 34.821 36.169 17.168 235 HD1 TYR 31 HD1 TYR 31 32.716 35.640 18.253 236 HD2 TYR 31 HD2 TYR 31 36.333 36.099 20.547 237 HE1 TYR 31 HE1 TYR 31 31.378 35.732 20.340 238 HE2 TYR 31 HE2 TYR 31 34.980 36.203 22.642 239 HH TYR 31 HH TYR 31 31.419 36.140 22.595 240 H ASN 32 H ASN 32 34.431 33.143 15.837 241 HA ASN 32 HA ASN 32 35.780 34.213 13.416 242 HB2 ASN 32 HB2 ASN 32 35.440 31.299 14.215 243 HB3 ASN 32 HB3 ASN 32 35.320 31.756 12.523 244 HD21 ASN 32 HD21 ASN 32 39.041 32.781 13.514 245 HD22 ASN 32 HD22 ASN 32 37.674 33.656 14.224 Start of MODEL 11 1 H1 ALA 1 H1 ALA 1 21.169 14.682 24.134 2 H2 ALA 1 H2 ALA 1 21.052 14.345 22.540 3 H3 ALA 1 H3 ALA 1 19.929 13.734 23.589 4 HA ALA 1 HA ALA 1 18.996 15.526 22.344 5 HB1 ALA 1 HB1 ALA 1 18.228 15.192 24.660 6 HB2 ALA 1 HB2 ALA 1 19.498 16.289 25.254 7 HB3 ALA 1 HB3 ALA 1 18.192 16.904 24.212 8 H PHE 2 H PHE 2 19.030 17.711 21.635 9 HA PHE 2 HA PHE 2 21.390 18.620 20.604 10 HB2 PHE 2 HB2 PHE 2 18.993 20.346 21.315 11 HB3 PHE 2 HB3 PHE 2 20.216 20.737 20.136 12 HD1 PHE 2 HD1 PHE 2 17.180 18.786 20.790 13 HD2 PHE 2 HD2 PHE 2 20.322 19.597 17.949 14 HE1 PHE 2 HE1 PHE 2 15.811 17.767 18.984 15 HE2 PHE 2 HE2 PHE 2 18.921 18.617 16.137 16 HZ PHE 2 HZ PHE 2 16.680 17.688 16.660 17 H CYS 3 H CYS 3 22.718 20.410 20.827 18 HA CYS 3 HA CYS 3 24.038 20.804 23.236 19 HB2 CYS 3 HB2 CYS 3 23.814 22.440 20.693 20 HB3 CYS 3 HB3 CYS 3 24.851 22.965 22.011 21 H ASN 4 H ASN 4 24.113 22.267 24.850 22 HA ASN 4 HA ASN 4 21.915 24.130 25.367 23 HB2 ASN 4 HB2 ASN 4 24.532 23.682 26.855 24 HB3 ASN 4 HB3 ASN 4 23.147 24.597 27.447 25 HD21 ASN 4 HD21 ASN 4 23.209 21.063 28.814 26 HD22 ASN 4 HD22 ASN 4 24.542 22.185 28.575 27 H LEU 5 H LEU 5 22.936 24.864 22.933 28 HA LEU 5 HA LEU 5 25.310 26.375 22.885 29 HB2 LEU 5 HB2 LEU 5 24.243 25.363 20.924 30 HB3 LEU 5 HB3 LEU 5 22.888 26.487 21.055 31 HG LEU 5 HG LEU 5 24.384 28.387 20.531 32 HD11 LEU 5 HD11 LEU 5 26.539 27.592 21.419 33 HD12 LEU 5 HD12 LEU 5 26.561 26.271 20.226 34 HD13 LEU 5 HD13 LEU 5 26.689 27.960 19.702 35 HD21 LEU 5 HD21 LEU 5 23.254 27.165 18.710 36 HD22 LEU 5 HD22 LEU 5 24.829 27.773 18.180 37 HD23 LEU 5 HD23 LEU 5 24.642 26.061 18.581 38 H ARG 6 H ARG 6 21.961 27.560 23.400 39 HA ARG 6 HA ARG 6 22.666 30.372 23.436 40 HB2 ARG 6 HB2 ARG 6 20.271 28.737 24.317 41 HB3 ARG 6 HB3 ARG 6 20.435 30.379 24.917 42 HG2 ARG 6 HG2 ARG 6 19.047 30.407 22.968 43 HG3 ARG 6 HG3 ARG 6 20.541 31.286 22.670 44 HD2 ARG 6 HD2 ARG 6 19.985 30.059 20.685 45 HD3 ARG 6 HD3 ARG 6 21.419 29.337 21.385 46 HE ARG 6 HE ARG 6 20.156 27.409 22.065 47 HH11 ARG 6 HH11 ARG 6 17.955 29.670 20.484 48 HH12 ARG 6 HH12 ARG 6 16.912 28.374 19.961 49 HH21 ARG 6 HH21 ARG 6 18.657 25.895 21.567 50 HH22 ARG 6 HH22 ARG 6 17.131 26.406 20.883 51 H ARG 7 H ARG 7 22.763 27.947 25.964 52 HA ARG 7 HA ARG 7 23.529 29.840 28.084 53 HB2 ARG 7 HB2 ARG 7 22.452 27.702 28.639 54 HB3 ARG 7 HB3 ARG 7 23.736 26.802 27.861 55 HG2 ARG 7 HG2 ARG 7 23.957 26.751 30.297 56 HG3 ARG 7 HG3 ARG 7 25.362 27.475 29.520 57 HD2 ARG 7 HD2 ARG 7 24.793 28.717 31.518 58 HD3 ARG 7 HD3 ARG 7 24.536 29.746 30.117 59 HE ARG 7 HE ARG 7 22.050 28.511 30.621 60 HH11 ARG 7 HH11 ARG 7 24.157 30.663 32.499 61 HH12 ARG 7 HH12 ARG 7 22.743 31.293 33.349 62 HH21 ARG 7 HH21 ARG 7 20.454 29.330 31.848 63 HH22 ARG 7 HH22 ARG 7 20.848 30.466 33.144 64 H CYS 8 H CYS 8 25.257 27.569 25.984 65 HA CYS 8 HA CYS 8 27.900 27.965 26.981 66 HB2 CYS 8 HB2 CYS 8 27.043 26.077 25.596 67 HB3 CYS 8 HB3 CYS 8 26.777 27.186 24.264 68 H GLU 9 H GLU 9 26.296 29.673 24.219 69 HA GLU 9 HA GLU 9 28.542 31.318 23.648 70 HB2 GLU 9 HB2 GLU 9 25.551 31.760 23.305 71 HB3 GLU 9 HB3 GLU 9 26.767 32.925 22.749 72 HG2 GLU 9 HG2 GLU 9 27.864 31.127 21.416 73 HG3 GLU 9 HG3 GLU 9 26.558 30.023 21.849 74 H LEU 10 H LEU 10 26.154 31.615 26.270 75 HA LEU 10 HA LEU 10 26.980 34.307 27.061 76 HB2 LEU 10 HB2 LEU 10 24.819 34.110 27.641 77 HB3 LEU 10 HB3 LEU 10 24.845 32.367 27.585 78 HG LEU 10 HG LEU 10 25.803 32.313 29.885 79 HD11 LEU 10 HD11 LEU 10 26.631 34.695 30.038 80 HD12 LEU 10 HD12 LEU 10 24.953 35.245 29.909 81 HD13 LEU 10 HD13 LEU 10 25.476 34.305 31.317 82 HD21 LEU 10 HD21 LEU 10 23.613 32.814 30.944 83 HD22 LEU 10 HD22 LEU 10 23.102 33.654 29.471 84 HD23 LEU 10 HD23 LEU 10 23.430 31.909 29.432 85 H SER 11 H SER 11 27.551 30.974 28.148 86 HA SER 11 HA SER 11 29.028 31.671 30.531 87 HB2 SER 11 HB2 SER 11 27.833 29.551 30.332 88 HB3 SER 11 HB3 SER 11 28.863 29.065 28.971 89 HG SER 11 HG SER 11 29.577 28.180 30.960 90 H CYS 12 H CYS 12 30.055 30.535 27.267 91 HA CYS 12 HA CYS 12 32.880 30.691 27.816 92 HB2 CYS 12 HB2 CYS 12 31.331 30.849 25.202 93 HB3 CYS 12 HB3 CYS 12 33.073 30.612 25.340 94 H ARG 13 H ARG 13 30.441 33.069 26.806 95 HA ARG 13 HA ARG 13 32.396 35.064 25.897 96 HB2 ARG 13 HB2 ARG 13 30.141 35.159 25.114 97 HB3 ARG 13 HB3 ARG 13 29.494 35.376 26.738 98 HG2 ARG 13 HG2 ARG 13 30.737 37.593 26.844 99 HG3 ARG 13 HG3 ARG 13 31.265 37.322 25.176 100 HD2 ARG 13 HD2 ARG 13 28.465 37.759 26.226 101 HD3 ARG 13 HD3 ARG 13 29.383 38.820 25.170 102 HE ARG 13 HE ARG 13 29.245 37.046 23.420 103 HH11 ARG 13 HH11 ARG 13 26.701 36.934 25.920 104 HH12 ARG 13 HH12 ARG 13 25.775 35.816 24.920 105 HH21 ARG 13 HH21 ARG 13 27.797 35.917 22.195 106 HH22 ARG 13 HH22 ARG 13 26.257 35.456 22.884 107 H SER 14 H SER 14 31.025 34.320 29.092 108 HA SER 14 HA SER 14 32.074 36.615 30.398 109 HB2 SER 14 HB2 SER 14 30.465 34.981 31.433 110 HB3 SER 14 HB3 SER 14 31.813 33.850 31.627 111 HG SER 14 HG SER 14 31.864 34.941 33.494 112 H LEU 15 H LEU 15 33.636 33.589 29.446 113 HA LEU 15 HA LEU 15 36.182 34.171 30.794 114 HB2 LEU 15 HB2 LEU 15 35.542 32.078 28.676 115 HB3 LEU 15 HB3 LEU 15 36.902 32.087 29.791 116 HG LEU 15 HG LEU 15 33.987 31.670 30.543 117 HD11 LEU 15 HD11 LEU 15 36.345 29.760 30.515 118 HD12 LEU 15 HD12 LEU 15 34.689 29.383 31.044 119 HD13 LEU 15 HD13 LEU 15 35.006 29.777 29.345 120 HD21 LEU 15 HD21 LEU 15 36.468 31.556 32.292 121 HD22 LEU 15 HD22 LEU 15 35.178 32.778 32.395 122 HD23 LEU 15 HD23 LEU 15 34.826 31.087 32.782 123 H GLY 16 H GLY 16 34.758 35.232 27.882 124 HA2 GLY 16 HA2 GLY 16 35.741 36.788 26.389 125 HA3 GLY 16 HA3 GLY 16 37.347 36.176 26.782 126 H LEU 17 H LEU 17 35.174 33.616 26.147 127 HA LEU 17 HA LEU 17 36.306 33.171 23.433 128 HB2 LEU 17 HB2 LEU 17 35.394 31.278 25.644 129 HB3 LEU 17 HB3 LEU 17 35.765 30.770 23.998 130 HG LEU 17 HG LEU 17 38.015 32.065 24.413 131 HD11 LEU 17 HD11 LEU 17 37.300 31.152 27.240 132 HD12 LEU 17 HD12 LEU 17 38.899 31.696 26.701 133 HD13 LEU 17 HD13 LEU 17 37.565 32.833 26.719 134 HD21 LEU 17 HD21 LEU 17 37.525 29.288 25.555 135 HD22 LEU 17 HD22 LEU 17 37.912 29.698 23.863 136 HD23 LEU 17 HD23 LEU 17 39.100 29.974 25.122 137 H LEU 18 H LEU 18 35.039 31.902 21.934 138 HA LEU 18 HA LEU 18 32.172 32.648 21.880 139 HB2 LEU 18 HB2 LEU 18 34.044 31.518 19.816 140 HB3 LEU 18 HB3 LEU 18 32.302 31.642 19.567 141 HG LEU 18 HG LEU 18 34.046 34.047 20.290 142 HD11 LEU 18 HD11 LEU 18 34.729 33.028 18.141 143 HD12 LEU 18 HD12 LEU 18 33.044 33.084 17.589 144 HD13 LEU 18 HD13 LEU 18 33.936 34.591 17.884 145 HD21 LEU 18 HD21 LEU 18 31.649 34.413 20.765 146 HD22 LEU 18 HD22 LEU 18 32.127 35.331 19.343 147 HD23 LEU 18 HD23 LEU 18 31.213 33.825 19.147 148 H GLY 19 H GLY 19 30.566 31.273 22.176 149 HA2 GLY 19 HA2 GLY 19 31.027 28.462 22.907 150 HA3 GLY 19 HA3 GLY 19 29.477 29.281 22.806 151 H LYS 20 H LYS 20 31.146 26.847 21.485 152 HA LYS 20 HA LYS 20 29.598 26.912 18.922 153 HB2 LYS 20 HB2 LYS 20 32.562 26.263 19.089 154 HB3 LYS 20 HB3 LYS 20 31.558 26.053 17.660 155 HG2 LYS 20 HG2 LYS 20 32.107 28.746 18.955 156 HG3 LYS 20 HG3 LYS 20 33.036 28.057 17.620 157 HD2 LYS 20 HD2 LYS 20 31.152 28.105 16.117 158 HD3 LYS 20 HD3 LYS 20 30.041 28.503 17.431 159 HE2 LYS 20 HE2 LYS 20 30.378 30.519 16.319 160 HE3 LYS 20 HE3 LYS 20 31.304 30.620 17.822 161 HZ1 LYS 20 HZ1 LYS 20 32.504 31.462 15.798 162 HZ2 LYS 20 HZ2 LYS 20 33.337 30.262 16.556 163 HZ3 LYS 20 HZ3 LYS 20 32.482 29.968 15.175 164 H CYS 21 H CYS 21 28.605 25.116 18.409 165 HA CYS 21 HA CYS 21 28.654 22.844 20.305 166 HB2 CYS 21 HB2 CYS 21 26.535 23.882 19.792 167 HB3 CYS 21 HB3 CYS 21 26.827 23.719 18.068 168 H ILE 22 H ILE 22 29.260 20.769 19.869 169 HA ILE 22 HA ILE 22 30.504 20.135 17.226 170 HB ILE 22 HB ILE 22 30.532 18.673 19.887 171 HG12 ILE 22 HG12 ILE 22 32.740 20.193 18.419 172 HG13 ILE 22 HG13 ILE 22 31.844 20.817 19.803 173 HG21 ILE 22 HG21 ILE 22 32.051 18.027 17.314 174 HG22 ILE 22 HG22 ILE 22 32.201 17.171 18.871 175 HG23 ILE 22 HG23 ILE 22 30.704 17.073 17.972 176 HD11 ILE 22 HD11 ILE 22 33.989 20.017 20.541 177 HD12 ILE 22 HD12 ILE 22 32.719 18.974 21.219 178 HD13 ILE 22 HD13 ILE 22 33.718 18.424 19.846 179 H GLY 23 H GLY 23 27.842 19.010 19.303 180 HA2 GLY 23 HA2 GLY 23 26.181 18.189 17.136 181 HA3 GLY 23 HA3 GLY 23 27.024 16.763 17.766 182 H GLU 24 H GLU 24 27.067 16.975 20.409 183 HA GLU 24 HA GLU 24 24.382 17.862 21.400 184 HB2 GLU 24 HB2 GLU 24 24.197 15.964 22.845 185 HB3 GLU 24 HB3 GLU 24 24.337 15.418 21.180 186 HG2 GLU 24 HG2 GLU 24 26.656 14.745 21.535 187 HG3 GLU 24 HG3 GLU 24 26.661 15.480 23.145 188 H GLU 25 H GLU 25 27.801 18.031 21.808 189 HA GLU 25 HA GLU 25 27.421 19.531 24.365 190 HB2 GLU 25 HB2 GLU 25 29.851 18.004 23.358 191 HB3 GLU 25 HB3 GLU 25 29.846 19.048 24.777 192 HG2 GLU 25 HG2 GLU 25 28.206 16.497 24.441 193 HG3 GLU 25 HG3 GLU 25 29.681 16.683 25.382 194 H CYS 26 H CYS 26 28.625 21.439 24.684 195 HA CYS 26 HA CYS 26 29.583 22.784 22.187 196 HB2 CYS 26 HB2 CYS 26 27.318 23.448 22.761 197 HB3 CYS 26 HB3 CYS 26 27.822 23.900 24.391 198 H LYS 27 H LYS 27 31.416 23.804 22.226 199 HA LYS 27 HA LYS 27 33.071 23.858 24.731 200 HB2 LYS 27 HB2 LYS 27 33.880 23.905 21.783 201 HB3 LYS 27 HB3 LYS 27 34.967 23.819 23.144 202 HG2 LYS 27 HG2 LYS 27 33.035 21.640 22.287 203 HG3 LYS 27 HG3 LYS 27 34.756 21.705 22.003 204 HD2 LYS 27 HD2 LYS 27 34.760 20.288 23.753 205 HD3 LYS 27 HD3 LYS 27 34.952 21.830 24.635 206 HE2 LYS 27 HE2 LYS 27 32.579 21.810 25.234 207 HE3 LYS 27 HE3 LYS 27 32.268 20.448 24.159 208 HZ1 LYS 27 HZ1 LYS 27 32.468 19.719 26.456 209 HZ2 LYS 27 HZ2 LYS 27 33.714 19.081 25.569 210 HZ3 LYS 27 HZ3 LYS 27 33.977 20.358 26.572 211 H CYS 28 H CYS 28 34.684 25.517 24.876 212 HA CYS 28 HA CYS 28 33.868 28.245 23.928 213 HB2 CYS 28 HB2 CYS 28 35.672 27.421 26.215 214 HB3 CYS 28 HB3 CYS 28 35.188 29.047 25.782 215 H VAL 29 H VAL 29 34.983 28.949 22.222 216 HA VAL 29 HA VAL 29 37.831 28.145 21.882 217 HB VAL 29 HB VAL 29 37.339 27.950 19.406 218 HG11 VAL 29 HG11 VAL 29 35.979 25.911 21.223 219 HG12 VAL 29 HG12 VAL 29 36.577 25.648 19.574 220 HG13 VAL 29 HG13 VAL 29 37.720 25.997 20.876 221 HG21 VAL 29 HG21 VAL 29 35.087 29.063 19.446 222 HG22 VAL 29 HG22 VAL 29 35.097 27.468 18.680 223 HG23 VAL 29 HG23 VAL 29 34.440 27.656 20.319 224 HA PRO 30 HA PRO 30 38.930 32.297 20.897 225 HB2 PRO 30 HB2 PRO 30 40.330 31.165 18.473 226 HB3 PRO 30 HB3 PRO 30 40.954 32.325 19.679 227 HG2 PRO 30 HG2 PRO 30 41.684 29.742 19.837 228 HG3 PRO 30 HG3 PRO 30 41.143 30.581 21.331 229 HD2 PRO 30 HD2 PRO 30 39.533 28.763 19.516 230 HD3 PRO 30 HD3 PRO 30 39.691 28.740 21.305 231 H TYR 31 H TYR 31 38.940 34.069 19.261 232 HA TYR 31 HA TYR 31 36.644 34.018 17.436 233 HB2 TYR 31 HB2 TYR 31 38.811 36.104 17.455 234 HB3 TYR 31 HB3 TYR 31 37.150 36.273 16.957 235 HD1 TYR 31 HD1 TYR 31 38.999 37.934 18.891 236 HD2 TYR 31 HD2 TYR 31 35.850 35.084 19.542 237 HE1 TYR 31 HE1 TYR 31 38.492 39.008 21.061 238 HE2 TYR 31 HE2 TYR 31 35.336 36.162 21.739 239 HH TYR 31 HH TYR 31 35.734 38.068 23.091 240 H ASN 32 H ASN 32 36.708 33.955 15.175 241 HA ASN 32 HA ASN 32 39.286 33.144 13.870 242 HB2 ASN 32 HB2 ASN 32 37.933 31.466 12.577 243 HB3 ASN 32 HB3 ASN 32 38.141 31.109 14.274 244 HD21 ASN 32 HD21 ASN 32 34.357 32.381 13.336 245 HD22 ASN 32 HD22 ASN 32 35.719 33.249 12.649 Start of MODEL 12 1 H1 ALA 1 H1 ALA 1 18.357 14.665 24.514 2 H2 ALA 1 H2 ALA 1 19.773 15.490 24.619 3 H3 ALA 1 H3 ALA 1 19.391 14.690 23.231 4 HA ALA 1 HA ALA 1 17.655 16.185 22.715 5 HB1 ALA 1 HB1 ALA 1 18.294 17.486 25.404 6 HB2 ALA 1 HB2 ALA 1 17.083 18.044 24.231 7 HB3 ALA 1 HB3 ALA 1 16.865 16.490 25.048 8 H PHE 2 H PHE 2 17.984 18.512 21.964 9 HA PHE 2 HA PHE 2 20.538 18.829 20.848 10 HB2 PHE 2 HB2 PHE 2 18.618 21.114 21.332 11 HB3 PHE 2 HB3 PHE 2 19.791 20.942 20.032 12 HD1 PHE 2 HD1 PHE 2 16.637 21.440 20.097 13 HD2 PHE 2 HD2 PHE 2 19.158 18.050 19.199 14 HE1 PHE 2 HE1 PHE 2 14.853 20.474 18.699 15 HE2 PHE 2 HE2 PHE 2 17.355 17.073 17.829 16 HZ PHE 2 HZ PHE 2 15.192 18.279 17.550 17 H CYS 3 H CYS 3 22.262 20.131 21.139 18 HA CYS 3 HA CYS 3 23.161 20.664 23.770 19 HB2 CYS 3 HB2 CYS 3 25.033 21.820 22.597 20 HB3 CYS 3 HB3 CYS 3 24.696 20.183 22.042 21 H ASN 4 H ASN 4 23.516 22.478 24.956 22 HA ASN 4 HA ASN 4 21.560 24.629 24.706 23 HB2 ASN 4 HB2 ASN 4 23.751 23.999 26.741 24 HB3 ASN 4 HB3 ASN 4 22.622 25.332 26.889 25 HD21 ASN 4 HD21 ASN 4 21.323 22.614 28.960 26 HD22 ASN 4 HD22 ASN 4 22.945 23.240 28.797 27 H LEU 5 H LEU 5 22.676 25.195 22.489 28 HA LEU 5 HA LEU 5 25.286 26.342 22.515 29 HB2 LEU 5 HB2 LEU 5 24.226 25.293 20.586 30 HB3 LEU 5 HB3 LEU 5 23.061 26.592 20.472 31 HG LEU 5 HG LEU 5 24.945 26.567 18.815 32 HD11 LEU 5 HD11 LEU 5 25.239 28.943 18.688 33 HD12 LEU 5 HD12 LEU 5 23.581 28.592 19.204 34 HD13 LEU 5 HD13 LEU 5 24.785 29.163 20.378 35 HD21 LEU 5 HD21 LEU 5 26.776 26.002 20.391 36 HD22 LEU 5 HD22 LEU 5 27.118 27.421 19.387 37 HD23 LEU 5 HD23 LEU 5 26.662 27.643 21.081 38 H ARG 6 H ARG 6 22.079 28.019 22.616 39 HA ARG 6 HA ARG 6 23.144 30.695 22.619 40 HB2 ARG 6 HB2 ARG 6 20.609 29.618 23.928 41 HB3 ARG 6 HB3 ARG 6 20.980 31.323 23.713 42 HG2 ARG 6 HG2 ARG 6 20.986 31.047 21.254 43 HG3 ARG 6 HG3 ARG 6 20.582 29.340 21.430 44 HD2 ARG 6 HD2 ARG 6 18.891 31.696 22.362 45 HD3 ARG 6 HD3 ARG 6 18.565 30.691 20.954 46 HE ARG 6 HE ARG 6 18.099 30.050 23.790 47 HH11 ARG 6 HH11 ARG 6 18.249 28.608 20.557 48 HH12 ARG 6 HH12 ARG 6 17.443 27.157 21.144 49 HH21 ARG 6 HH21 ARG 6 16.941 28.227 24.316 50 HH22 ARG 6 HH22 ARG 6 16.508 27.081 23.073 51 H ARG 7 H ARG 7 22.400 28.558 25.369 52 HA ARG 7 HA ARG 7 23.459 30.378 27.395 53 HB2 ARG 7 HB2 ARG 7 22.778 27.435 27.343 54 HB3 ARG 7 HB3 ARG 7 23.717 28.087 28.681 55 HG2 ARG 7 HG2 ARG 7 21.406 28.044 29.308 56 HG3 ARG 7 HG3 ARG 7 21.959 29.716 29.198 57 HD2 ARG 7 HD2 ARG 7 20.850 29.958 26.997 58 HD3 ARG 7 HD3 ARG 7 20.341 28.266 27.057 59 HE ARG 7 HE ARG 7 19.149 30.543 28.408 60 HH11 ARG 7 HH11 ARG 7 19.145 27.022 28.213 61 HH12 ARG 7 HH12 ARG 7 17.794 26.933 29.336 62 HH21 ARG 7 HH21 ARG 7 17.487 30.223 29.942 63 HH22 ARG 7 HH22 ARG 7 16.898 28.571 30.143 64 H CYS 8 H CYS 8 25.035 27.730 25.576 65 HA CYS 8 HA CYS 8 27.597 27.933 26.826 66 HB2 CYS 8 HB2 CYS 8 26.837 26.070 25.436 67 HB3 CYS 8 HB3 CYS 8 26.692 27.128 24.042 68 H GLU 9 H GLU 9 26.271 29.722 24.033 69 HA GLU 9 HA GLU 9 28.533 31.373 23.495 70 HB2 GLU 9 HB2 GLU 9 25.542 31.707 23.150 71 HB3 GLU 9 HB3 GLU 9 26.643 32.983 22.670 72 HG2 GLU 9 HG2 GLU 9 27.059 30.156 21.640 73 HG3 GLU 9 HG3 GLU 9 25.828 31.219 20.946 74 H LEU 10 H LEU 10 26.429 31.488 26.260 75 HA LEU 10 HA LEU 10 27.395 34.157 27.110 76 HB2 LEU 10 HB2 LEU 10 25.131 34.171 27.387 77 HB3 LEU 10 HB3 LEU 10 25.004 32.433 27.477 78 HG LEU 10 HG LEU 10 25.857 32.505 29.818 79 HD11 LEU 10 HD11 LEU 10 25.645 34.628 31.061 80 HD12 LEU 10 HD12 LEU 10 26.823 34.832 29.757 81 HD13 LEU 10 HD13 LEU 10 25.190 35.484 29.567 82 HD21 LEU 10 HD21 LEU 10 23.257 33.959 29.195 83 HD22 LEU 10 HD22 LEU 10 23.493 32.199 29.291 84 HD23 LEU 10 HD23 LEU 10 23.674 33.190 30.747 85 H SER 11 H SER 11 27.437 30.713 28.056 86 HA SER 11 HA SER 11 28.888 31.081 30.508 87 HB2 SER 11 HB2 SER 11 27.429 29.132 29.954 88 HB3 SER 11 HB3 SER 11 28.656 28.575 28.804 89 HG SER 11 HG SER 11 28.888 28.912 31.626 90 H CYS 12 H CYS 12 29.991 30.215 27.180 91 HA CYS 12 HA CYS 12 32.823 30.279 27.860 92 HB2 CYS 12 HB2 CYS 12 31.312 30.572 25.239 93 HB3 CYS 12 HB3 CYS 12 33.064 30.514 25.361 94 H ARG 13 H ARG 13 30.399 32.772 27.176 95 HA ARG 13 HA ARG 13 32.321 34.795 26.414 96 HB2 ARG 13 HB2 ARG 13 29.897 34.956 25.904 97 HB3 ARG 13 HB3 ARG 13 29.553 35.222 27.606 98 HG2 ARG 13 HG2 ARG 13 29.523 37.324 26.402 99 HG3 ARG 13 HG3 ARG 13 30.846 37.323 27.551 100 HD2 ARG 13 HD2 ARG 13 31.671 38.298 25.538 101 HD3 ARG 13 HD3 ARG 13 32.417 36.732 25.648 102 HE ARG 13 HE ARG 13 30.814 35.876 23.972 103 HH11 ARG 13 HH11 ARG 13 30.713 39.408 24.194 104 HH12 ARG 13 HH12 ARG 13 30.525 39.519 22.435 105 HH21 ARG 13 HH21 ARG 13 30.147 36.223 21.908 106 HH22 ARG 13 HH22 ARG 13 30.238 37.869 21.243 107 H SER 14 H SER 14 31.343 33.524 29.525 108 HA SER 14 HA SER 14 32.418 35.506 31.217 109 HB2 SER 14 HB2 SER 14 31.164 33.426 31.916 110 HB3 SER 14 HB3 SER 14 32.645 32.505 31.600 111 HG SER 14 HG SER 14 32.862 32.979 33.656 112 H LEU 15 H LEU 15 34.040 32.995 29.318 113 HA LEU 15 HA LEU 15 36.742 33.593 30.286 114 HB2 LEU 15 HB2 LEU 15 35.895 31.818 27.975 115 HB3 LEU 15 HB3 LEU 15 37.406 31.769 28.865 116 HG LEU 15 HG LEU 15 34.685 30.961 29.969 117 HD11 LEU 15 HD11 LEU 15 35.592 28.675 29.851 118 HD12 LEU 15 HD12 LEU 15 35.545 29.435 28.249 119 HD13 LEU 15 HD13 LEU 15 37.086 29.306 29.112 120 HD21 LEU 15 HD21 LEU 15 36.156 31.759 31.776 121 HD22 LEU 15 HD22 LEU 15 36.004 30.001 31.845 122 HD23 LEU 15 HD23 LEU 15 37.478 30.725 31.166 123 H GLY 16 H GLY 16 34.801 35.342 28.269 124 HA2 GLY 16 HA2 GLY 16 35.178 36.819 26.539 125 HA3 GLY 16 HA3 GLY 16 36.918 36.613 26.790 126 H LEU 17 H LEU 17 34.599 34.030 25.970 127 HA LEU 17 HA LEU 17 35.756 33.722 23.227 128 HB2 LEU 17 HB2 LEU 17 35.138 31.537 25.258 129 HB3 LEU 17 HB3 LEU 17 35.639 31.261 23.605 130 HG LEU 17 HG LEU 17 37.274 32.578 25.754 131 HD11 LEU 17 HD11 LEU 17 37.058 30.239 26.241 132 HD12 LEU 17 HD12 LEU 17 37.597 29.819 24.588 133 HD13 LEU 17 HD13 LEU 17 38.699 30.606 25.730 134 HD21 LEU 17 HD21 LEU 17 37.943 33.359 23.462 135 HD22 LEU 17 HD22 LEU 17 39.203 32.410 24.247 136 HD23 LEU 17 HD23 LEU 17 38.189 31.660 22.999 137 H LEU 18 H LEU 18 34.425 32.477 21.785 138 HA LEU 18 HA LEU 18 31.503 32.883 22.094 139 HB2 LEU 18 HB2 LEU 18 33.115 31.678 19.804 140 HB3 LEU 18 HB3 LEU 18 31.387 32.031 19.790 141 HG LEU 18 HG LEU 18 33.656 34.048 19.950 142 HD11 LEU 18 HD11 LEU 18 31.585 33.513 17.791 143 HD12 LEU 18 HD12 LEU 18 32.821 34.782 17.759 144 HD13 LEU 18 HD13 LEU 18 33.309 33.079 17.726 145 HD21 LEU 18 HD21 LEU 18 31.805 35.750 19.708 146 HD22 LEU 18 HD22 LEU 18 30.633 34.444 19.982 147 HD23 LEU 18 HD23 LEU 18 31.785 34.905 21.257 148 H GLY 19 H GLY 19 30.052 31.183 21.882 149 HA2 GLY 19 HA2 GLY 19 30.945 28.602 23.072 150 HA3 GLY 19 HA3 GLY 19 29.285 29.174 22.945 151 H LYS 20 H LYS 20 30.981 26.761 21.944 152 HA LYS 20 HA LYS 20 29.565 26.543 19.329 153 HB2 LYS 20 HB2 LYS 20 32.377 26.623 19.660 154 HB3 LYS 20 HB3 LYS 20 32.007 24.905 19.535 155 HG2 LYS 20 HG2 LYS 20 32.356 25.543 17.323 156 HG3 LYS 20 HG3 LYS 20 30.588 25.560 17.461 157 HD2 LYS 20 HD2 LYS 20 30.927 28.111 18.054 158 HD3 LYS 20 HD3 LYS 20 32.543 27.899 17.381 159 HE2 LYS 20 HE2 LYS 20 29.896 27.357 16.009 160 HE3 LYS 20 HE3 LYS 20 30.931 28.775 15.741 161 HZ1 LYS 20 HZ1 LYS 20 32.656 27.235 14.855 162 HZ2 LYS 20 HZ2 LYS 20 31.647 25.962 15.084 163 HZ3 LYS 20 HZ3 LYS 20 31.280 27.096 13.989 164 H CYS 21 H CYS 21 28.712 24.571 18.771 165 HA CYS 21 HA CYS 21 28.447 22.528 20.927 166 HB2 CYS 21 HB2 CYS 21 26.433 23.509 19.895 167 HB3 CYS 21 HB3 CYS 21 26.963 22.932 18.319 168 H ILE 22 H ILE 22 29.207 20.466 20.669 169 HA ILE 22 HA ILE 22 30.291 19.626 18.027 170 HB ILE 22 HB ILE 22 32.035 20.673 19.669 171 HG12 ILE 22 HG12 ILE 22 32.695 17.985 18.422 172 HG13 ILE 22 HG13 ILE 22 32.420 19.451 17.481 173 HG21 ILE 22 HG21 ILE 22 31.397 19.327 21.667 174 HG22 ILE 22 HG22 ILE 22 31.924 17.843 20.836 175 HG23 ILE 22 HG23 ILE 22 33.091 19.087 21.225 176 HD11 ILE 22 HD11 ILE 22 34.600 19.103 19.567 177 HD12 ILE 22 HD12 ILE 22 34.799 19.122 17.807 178 HD13 ILE 22 HD13 ILE 22 34.268 20.589 18.651 179 H GLY 23 H GLY 23 28.657 18.724 20.907 180 HA2 GLY 23 HA2 GLY 23 27.334 16.556 20.608 181 HA3 GLY 23 HA3 GLY 23 28.896 15.792 20.316 182 H GLU 24 H GLU 24 26.710 16.988 22.630 183 HA GLU 24 HA GLU 24 26.458 16.916 24.827 184 HB2 GLU 24 HB2 GLU 24 28.378 14.649 25.092 185 HB3 GLU 24 HB3 GLU 24 26.851 14.937 25.907 186 HG2 GLU 24 HG2 GLU 24 27.372 13.857 23.136 187 HG3 GLU 24 HG3 GLU 24 26.583 13.066 24.480 188 H GLU 25 H GLU 25 28.837 18.605 23.925 189 HA GLU 25 HA GLU 25 29.504 19.492 26.611 190 HB2 GLU 25 HB2 GLU 25 31.202 17.739 26.403 191 HB3 GLU 25 HB3 GLU 25 31.694 18.366 24.837 192 HG2 GLU 25 HG2 GLU 25 33.367 19.007 26.335 193 HG3 GLU 25 HG3 GLU 25 32.479 20.479 25.990 194 H CYS 26 H CYS 26 29.673 21.651 26.668 195 HA CYS 26 HA CYS 26 29.636 23.260 24.266 196 HB2 CYS 26 HB2 CYS 26 28.423 23.953 26.225 197 HB3 CYS 26 HB3 CYS 26 29.856 23.796 27.230 198 H LYS 27 H LYS 27 31.308 23.724 23.020 199 HA LYS 27 HA LYS 27 34.092 23.924 24.113 200 HB2 LYS 27 HB2 LYS 27 32.849 23.565 21.414 201 HB3 LYS 27 HB3 LYS 27 34.301 24.550 21.470 202 HG2 LYS 27 HG2 LYS 27 34.722 22.218 20.931 203 HG3 LYS 27 HG3 LYS 27 35.635 22.774 22.324 204 HD2 LYS 27 HD2 LYS 27 33.026 21.287 22.724 205 HD3 LYS 27 HD3 LYS 27 34.466 20.404 22.238 206 HE2 LYS 27 HE2 LYS 27 34.310 22.091 24.758 207 HE3 LYS 27 HE3 LYS 27 34.067 20.347 24.658 208 HZ1 LYS 27 HZ1 LYS 27 36.572 21.817 24.394 209 HZ2 LYS 27 HZ2 LYS 27 36.275 20.385 25.131 210 HZ3 LYS 27 HZ3 LYS 27 36.412 20.475 23.487 211 H CYS 28 H CYS 28 35.326 25.698 24.063 212 HA CYS 28 HA CYS 28 34.018 28.377 23.663 213 HB2 CYS 28 HB2 CYS 28 36.063 27.657 25.743 214 HB3 CYS 28 HB3 CYS 28 35.280 29.213 25.463 215 H VAL 29 H VAL 29 34.910 29.606 22.148 216 HA VAL 29 HA VAL 29 37.695 29.090 21.243 217 HB VAL 29 HB VAL 29 36.906 29.017 18.893 218 HG11 VAL 29 HG11 VAL 29 35.740 26.779 20.600 219 HG12 VAL 29 HG12 VAL 29 36.228 26.690 18.905 220 HG13 VAL 29 HG13 VAL 29 37.454 26.945 20.156 221 HG21 VAL 29 HG21 VAL 29 34.128 28.620 20.086 222 HG22 VAL 29 HG22 VAL 29 34.666 30.039 19.152 223 HG23 VAL 29 HG23 VAL 29 34.592 28.453 18.379 224 HA PRO 30 HA PRO 30 38.070 33.403 20.901 225 HB2 PRO 30 HB2 PRO 30 39.553 33.033 18.305 226 HB3 PRO 30 HB3 PRO 30 40.035 33.965 19.755 227 HG2 PRO 30 HG2 PRO 30 41.108 31.525 19.281 228 HG3 PRO 30 HG3 PRO 30 40.582 31.960 20.941 229 HD2 PRO 30 HD2 PRO 30 39.094 30.299 18.882 230 HD3 PRO 30 HD3 PRO 30 39.376 29.993 20.617 231 H TYR 31 H TYR 31 37.486 35.365 19.894 232 HA TYR 31 HA TYR 31 35.279 35.431 18.054 233 HB2 TYR 31 HB2 TYR 31 37.250 37.682 18.595 234 HB3 TYR 31 HB3 TYR 31 35.598 37.830 18.023 235 HD1 TYR 31 HD1 TYR 31 34.059 36.171 19.871 236 HD2 TYR 31 HD2 TYR 31 37.316 38.863 20.646 237 HE1 TYR 31 HE1 TYR 31 33.317 36.375 22.248 238 HE2 TYR 31 HE2 TYR 31 36.544 39.110 23.007 239 HH TYR 31 HH TYR 31 34.871 38.624 24.514 240 H ASN 32 H ASN 32 35.207 36.214 15.898 241 HA ASN 32 HA ASN 32 35.707 36.208 13.709 242 HB2 ASN 32 HB2 ASN 32 38.356 37.399 14.590 243 HB3 ASN 32 HB3 ASN 32 37.534 37.678 13.067 244 HD21 ASN 32 HD21 ASN 32 36.911 40.339 15.817 245 HD22 ASN 32 HD22 ASN 32 38.342 39.335 15.618 Start of MODEL 13 1 H1 ALA 1 H1 ALA 1 22.020 14.120 24.741 2 H2 ALA 1 H2 ALA 1 21.648 13.953 23.153 3 H3 ALA 1 H3 ALA 1 20.658 13.284 24.304 4 HA ALA 1 HA ALA 1 19.580 15.190 23.538 5 HB1 ALA 1 HB1 ALA 1 20.935 15.757 26.218 6 HB2 ALA 1 HB2 ALA 1 19.489 16.568 25.606 7 HB3 ALA 1 HB3 ALA 1 19.434 14.836 25.975 8 H PHE 2 H PHE 2 19.771 17.015 22.315 9 HA PHE 2 HA PHE 2 22.212 17.902 21.372 10 HB2 PHE 2 HB2 PHE 2 19.721 19.612 21.552 11 HB3 PHE 2 HB3 PHE 2 21.017 19.749 20.364 12 HD1 PHE 2 HD1 PHE 2 21.394 16.884 19.532 13 HD2 PHE 2 HD2 PHE 2 17.796 19.133 20.306 14 HE1 PHE 2 HE1 PHE 2 20.122 15.362 18.079 15 HE2 PHE 2 HE2 PHE 2 16.535 17.622 18.813 16 HZ PHE 2 HZ PHE 2 17.690 15.739 17.673 17 H CYS 3 H CYS 3 23.405 19.754 21.476 18 HA CYS 3 HA CYS 3 24.346 20.494 23.975 19 HB2 CYS 3 HB2 CYS 3 25.663 22.140 22.704 20 HB3 CYS 3 HB3 CYS 3 25.597 20.578 21.899 21 H ASN 4 H ASN 4 24.356 22.311 25.204 22 HA ASN 4 HA ASN 4 21.965 24.062 25.223 23 HB2 ASN 4 HB2 ASN 4 24.308 23.715 27.149 24 HB3 ASN 4 HB3 ASN 4 22.951 24.804 27.405 25 HD21 ASN 4 HD21 ASN 4 22.387 21.542 29.180 26 HD22 ASN 4 HD22 ASN 4 23.677 22.733 29.215 27 H LEU 5 H LEU 5 23.112 24.673 22.945 28 HA LEU 5 HA LEU 5 25.443 26.269 22.910 29 HB2 LEU 5 HB2 LEU 5 24.466 25.245 20.920 30 HB3 LEU 5 HB3 LEU 5 23.049 26.280 21.052 31 HG LEU 5 HG LEU 5 24.371 28.276 20.554 32 HD11 LEU 5 HD11 LEU 5 26.748 26.372 20.390 33 HD12 LEU 5 HD12 LEU 5 26.738 28.028 19.769 34 HD13 LEU 5 HD13 LEU 5 26.561 27.746 21.498 35 HD21 LEU 5 HD21 LEU 5 23.430 26.932 18.715 36 HD22 LEU 5 HD22 LEU 5 24.920 27.750 18.228 37 HD23 LEU 5 HD23 LEU 5 24.941 26.012 18.599 38 H ARG 6 H ARG 6 22.039 27.284 23.452 39 HA ARG 6 HA ARG 6 22.587 30.089 23.235 40 HB2 ARG 6 HB2 ARG 6 20.353 28.917 23.020 41 HB3 ARG 6 HB3 ARG 6 20.323 28.725 24.776 42 HG2 ARG 6 HG2 ARG 6 20.301 31.185 25.057 43 HG3 ARG 6 HG3 ARG 6 20.527 31.394 23.315 44 HD2 ARG 6 HD2 ARG 6 18.219 31.793 23.797 45 HD3 ARG 6 HD3 ARG 6 18.331 30.268 22.906 46 HE ARG 6 HE ARG 6 18.391 29.713 25.723 47 HH11 ARG 6 HH11 ARG 6 15.990 30.835 23.378 48 HH12 ARG 6 HH12 ARG 6 14.689 30.220 24.413 49 HH21 ARG 6 HH21 ARG 6 16.715 28.999 26.820 50 HH22 ARG 6 HH22 ARG 6 15.058 29.301 26.243 51 H ARG 7 H ARG 7 22.485 27.998 26.141 52 HA ARG 7 HA ARG 7 23.414 30.026 28.004 53 HB2 ARG 7 HB2 ARG 7 22.310 28.068 28.850 54 HB3 ARG 7 HB3 ARG 7 23.399 26.992 27.989 55 HG2 ARG 7 HG2 ARG 7 23.926 26.906 30.333 56 HG3 ARG 7 HG3 ARG 7 25.268 27.600 29.457 57 HD2 ARG 7 HD2 ARG 7 25.129 28.909 31.369 58 HD3 ARG 7 HD3 ARG 7 24.334 29.921 30.158 59 HE ARG 7 HE ARG 7 22.292 28.391 31.352 60 HH11 ARG 7 HH11 ARG 7 24.623 30.748 32.666 61 HH12 ARG 7 HH12 ARG 7 23.505 31.100 33.978 62 HH21 ARG 7 HH21 ARG 7 21.139 28.864 33.095 63 HH22 ARG 7 HH22 ARG 7 21.689 30.110 34.230 64 H CYS 8 H CYS 8 25.129 27.557 26.070 65 HA CYS 8 HA CYS 8 27.756 28.023 27.107 66 HB2 CYS 8 HB2 CYS 8 26.999 26.038 25.822 67 HB3 CYS 8 HB3 CYS 8 26.719 27.057 24.425 68 H GLU 9 H GLU 9 26.211 29.532 24.218 69 HA GLU 9 HA GLU 9 28.563 31.056 23.627 70 HB2 GLU 9 HB2 GLU 9 27.350 32.105 21.978 71 HB3 GLU 9 HB3 GLU 9 26.721 30.449 22.045 72 HG2 GLU 9 HG2 GLU 9 24.740 31.245 23.246 73 HG3 GLU 9 HG3 GLU 9 25.370 32.887 23.252 74 H LEU 10 H LEU 10 26.208 31.628 26.074 75 HA LEU 10 HA LEU 10 27.379 34.339 26.543 76 HB2 LEU 10 HB2 LEU 10 25.630 34.853 28.023 77 HB3 LEU 10 HB3 LEU 10 24.979 34.281 26.504 78 HG LEU 10 HG LEU 10 24.603 32.022 27.722 79 HD11 LEU 10 HD11 LEU 10 24.921 33.885 30.127 80 HD12 LEU 10 HD12 LEU 10 24.123 32.307 30.180 81 HD13 LEU 10 HD13 LEU 10 25.844 32.398 29.832 82 HD21 LEU 10 HD21 LEU 10 22.809 33.489 27.038 83 HD22 LEU 10 HD22 LEU 10 22.458 32.809 28.623 84 HD23 LEU 10 HD23 LEU 10 23.024 34.491 28.496 85 H SER 11 H SER 11 27.410 31.070 27.857 86 HA SER 11 HA SER 11 28.682 31.719 30.359 87 HB2 SER 11 HB2 SER 11 27.512 29.601 30.045 88 HB3 SER 11 HB3 SER 11 28.633 29.144 28.745 89 HG SER 11 HG SER 11 29.287 28.176 30.677 90 H CYS 12 H CYS 12 30.014 30.489 27.241 91 HA CYS 12 HA CYS 12 32.772 30.704 27.974 92 HB2 CYS 12 HB2 CYS 12 31.398 30.821 25.262 93 HB3 CYS 12 HB3 CYS 12 33.118 30.563 25.513 94 H ARG 13 H ARG 13 30.433 33.061 26.895 95 HA ARG 13 HA ARG 13 32.264 35.133 25.998 96 HB2 ARG 13 HB2 ARG 13 29.795 35.085 25.540 97 HB3 ARG 13 HB3 ARG 13 29.510 35.504 27.235 98 HG2 ARG 13 HG2 ARG 13 30.775 37.643 26.890 99 HG3 ARG 13 HG3 ARG 13 31.026 37.196 25.202 100 HD2 ARG 13 HD2 ARG 13 29.179 38.757 25.351 101 HD3 ARG 13 HD3 ARG 13 28.558 37.172 24.864 102 HE ARG 13 HE ARG 13 28.501 37.854 27.776 103 HH11 ARG 13 HH11 ARG 13 26.461 37.675 24.854 104 HH12 ARG 13 HH12 ARG 13 25.071 37.337 25.886 105 HH21 ARG 13 HH21 ARG 13 26.670 37.636 28.840 106 HH22 ARG 13 HH22 ARG 13 25.141 37.439 27.975 107 H SER 14 H SER 14 31.283 34.081 29.219 108 HA SER 14 HA SER 14 32.135 36.284 30.725 109 HB2 SER 14 HB2 SER 14 30.928 34.250 31.585 110 HB3 SER 14 HB3 SER 14 32.465 33.360 31.479 111 HG SER 14 HG SER 14 31.859 35.651 33.041 112 H LEU 15 H LEU 15 34.042 33.547 29.473 113 HA LEU 15 HA LEU 15 36.613 34.620 30.444 114 HB2 LEU 15 HB2 LEU 15 35.999 32.192 28.708 115 HB3 LEU 15 HB3 LEU 15 37.527 32.555 29.500 116 HG LEU 15 HG LEU 15 34.916 31.877 30.906 117 HD11 LEU 15 HD11 LEU 15 35.983 29.965 29.766 118 HD12 LEU 15 HD12 LEU 15 37.509 30.312 30.615 119 HD13 LEU 15 HD13 LEU 15 36.072 29.806 31.530 120 HD21 LEU 15 HD21 LEU 15 36.303 31.747 32.966 121 HD22 LEU 15 HD22 LEU 15 37.688 32.396 32.065 122 HD23 LEU 15 HD23 LEU 15 36.236 33.391 32.329 123 H GLY 16 H GLY 16 34.737 35.547 27.925 124 HA2 GLY 16 HA2 GLY 16 35.164 36.868 26.092 125 HA3 GLY 16 HA3 GLY 16 36.894 36.702 26.358 126 H LEU 17 H LEU 17 35.312 33.675 26.173 127 HA LEU 17 HA LEU 17 36.432 33.139 23.461 128 HB2 LEU 17 HB2 LEU 17 35.341 31.287 25.615 129 HB3 LEU 17 HB3 LEU 17 36.007 30.769 24.077 130 HG LEU 17 HG LEU 17 37.502 32.193 26.276 131 HD11 LEU 17 HD11 LEU 17 37.668 29.298 25.404 132 HD12 LEU 17 HD12 LEU 17 38.725 30.089 26.584 133 HD13 LEU 17 HD13 LEU 17 37.013 29.933 26.941 134 HD21 LEU 17 HD21 LEU 17 38.516 32.717 24.069 135 HD22 LEU 17 HD22 LEU 17 39.566 31.651 24.997 136 HD23 LEU 17 HD23 LEU 17 38.576 30.980 23.687 137 H LEU 18 H LEU 18 35.172 31.995 21.902 138 HA LEU 18 HA LEU 18 32.311 32.702 21.848 139 HB2 LEU 18 HB2 LEU 18 33.976 31.090 19.874 140 HB3 LEU 18 HB3 LEU 18 32.295 31.593 19.675 141 HG LEU 18 HG LEU 18 33.547 32.967 18.304 142 HD11 LEU 18 HD11 LEU 18 33.027 34.666 20.774 143 HD12 LEU 18 HD12 LEU 18 33.143 35.218 19.098 144 HD13 LEU 18 HD13 LEU 18 31.802 34.167 19.582 145 HD21 LEU 18 HD21 LEU 18 35.360 33.879 20.563 146 HD22 LEU 18 HD22 LEU 18 35.776 32.595 19.399 147 HD23 LEU 18 HD23 LEU 18 35.475 34.246 18.843 148 H GLY 19 H GLY 19 30.675 31.268 22.101 149 HA2 GLY 19 HA2 GLY 19 31.309 28.513 23.127 150 HA3 GLY 19 HA3 GLY 19 29.755 29.318 23.251 151 H LYS 20 H LYS 20 31.549 27.050 21.529 152 HA LYS 20 HA LYS 20 29.717 27.116 19.144 153 HB2 LYS 20 HB2 LYS 20 32.674 26.672 19.388 154 HB3 LYS 20 HB3 LYS 20 31.805 25.599 18.295 155 HG2 LYS 20 HG2 LYS 20 32.562 27.396 16.991 156 HG3 LYS 20 HG3 LYS 20 30.813 27.519 17.131 157 HD2 LYS 20 HD2 LYS 20 30.998 29.367 18.712 158 HD3 LYS 20 HD3 LYS 20 32.761 29.144 18.805 159 HE2 LYS 20 HE2 LYS 20 32.322 31.025 17.342 160 HE3 LYS 20 HE3 LYS 20 32.932 29.676 16.371 161 HZ1 LYS 20 HZ1 LYS 20 30.119 30.574 16.603 162 HZ2 LYS 20 HZ2 LYS 20 31.081 30.624 15.255 163 HZ3 LYS 20 HZ3 LYS 20 30.556 29.184 15.828 164 H CYS 21 H CYS 21 28.414 25.518 18.821 165 HA CYS 21 HA CYS 21 28.505 23.098 20.497 166 HB2 CYS 21 HB2 CYS 21 26.396 24.185 20.164 167 HB3 CYS 21 HB3 CYS 21 26.561 24.104 18.408 168 H ILE 22 H ILE 22 29.156 21.152 19.930 169 HA ILE 22 HA ILE 22 30.190 20.583 17.191 170 HB ILE 22 HB ILE 22 30.333 19.055 19.813 171 HG12 ILE 22 HG12 ILE 22 32.548 20.457 18.242 172 HG13 ILE 22 HG13 ILE 22 31.716 21.182 19.616 173 HG21 ILE 22 HG21 ILE 22 31.911 17.524 18.641 174 HG22 ILE 22 HG22 ILE 22 30.315 17.457 17.919 175 HG23 ILE 22 HG23 ILE 22 31.603 18.378 17.116 176 HD11 ILE 22 HD11 ILE 22 32.482 19.297 21.071 177 HD12 ILE 22 HD12 ILE 22 33.486 18.724 19.712 178 HD13 ILE 22 HD13 ILE 22 33.780 20.318 20.418 179 H GLY 23 H GLY 23 27.662 19.530 19.462 180 HA2 GLY 23 HA2 GLY 23 25.620 19.245 17.650 181 HA3 GLY 23 HA3 GLY 23 26.370 17.642 17.648 182 H GLU 24 H GLU 24 26.953 16.971 20.084 183 HA GLU 24 HA GLU 24 24.449 17.100 21.721 184 HB2 GLU 24 HB2 GLU 24 26.936 15.378 22.012 185 HB3 GLU 24 HB3 GLU 24 25.480 15.260 22.990 186 HG2 GLU 24 HG2 GLU 24 25.557 14.750 19.972 187 HG3 GLU 24 HG3 GLU 24 25.736 13.515 21.200 188 H GLU 25 H GLU 25 27.843 18.116 21.692 189 HA GLU 25 HA GLU 25 27.486 19.455 24.354 190 HB2 GLU 25 HB2 GLU 25 29.926 18.046 23.222 191 HB3 GLU 25 HB3 GLU 25 29.897 18.969 24.736 192 HG2 GLU 25 HG2 GLU 25 28.213 17.441 25.678 193 HG3 GLU 25 HG3 GLU 25 28.176 16.504 24.184 194 H CYS 26 H CYS 26 28.930 21.312 24.768 195 HA CYS 26 HA CYS 26 29.702 22.812 22.314 196 HB2 CYS 26 HB2 CYS 26 27.426 23.412 22.943 197 HB3 CYS 26 HB3 CYS 26 27.947 23.822 24.571 198 H LYS 27 H LYS 27 31.521 23.939 22.398 199 HA LYS 27 HA LYS 27 33.077 23.988 24.952 200 HB2 LYS 27 HB2 LYS 27 33.912 23.558 22.047 201 HB3 LYS 27 HB3 LYS 27 35.064 23.838 23.349 202 HG2 LYS 27 HG2 LYS 27 33.132 21.482 23.223 203 HG3 LYS 27 HG3 LYS 27 34.829 21.452 22.784 204 HD2 LYS 27 HD2 LYS 27 35.340 20.955 24.915 205 HD3 LYS 27 HD3 LYS 27 34.855 22.609 25.338 206 HE2 LYS 27 HE2 LYS 27 32.458 21.692 25.482 207 HE3 LYS 27 HE3 LYS 27 33.177 20.079 25.429 208 HZ1 LYS 27 HZ1 LYS 27 33.636 22.181 27.471 209 HZ2 LYS 27 HZ2 LYS 27 32.896 20.755 27.725 210 HZ3 LYS 27 HZ3 LYS 27 34.506 20.786 27.443 211 H CYS 28 H CYS 28 34.477 25.614 25.389 212 HA CYS 28 HA CYS 28 33.940 28.298 24.239 213 HB2 CYS 28 HB2 CYS 28 35.653 27.493 26.593 214 HB3 CYS 28 HB3 CYS 28 35.130 29.107 26.116 215 H VAL 29 H VAL 29 35.198 29.096 22.693 216 HA VAL 29 HA VAL 29 37.958 28.073 22.270 217 HB VAL 29 HB VAL 29 37.405 27.721 19.851 218 HG11 VAL 29 HG11 VAL 29 36.507 25.489 20.121 219 HG12 VAL 29 HG12 VAL 29 37.618 25.827 21.455 220 HG13 VAL 29 HG13 VAL 29 35.862 25.879 21.721 221 HG21 VAL 29 HG21 VAL 29 35.249 28.977 19.766 222 HG22 VAL 29 HG22 VAL 29 35.105 27.321 19.161 223 HG23 VAL 29 HG23 VAL 29 34.501 27.721 20.782 224 HA PRO 30 HA PRO 30 38.690 32.260 21.041 225 HB2 PRO 30 HB2 PRO 30 41.063 32.100 19.730 226 HB3 PRO 30 HB3 PRO 30 40.909 31.665 21.453 227 HG2 PRO 30 HG2 PRO 30 40.852 29.806 19.053 228 HG3 PRO 30 HG3 PRO 30 41.858 29.663 20.539 229 HD2 PRO 30 HD2 PRO 30 39.493 28.333 20.213 230 HD3 PRO 30 HD3 PRO 30 40.019 28.932 21.811 231 H TYR 31 H TYR 31 39.214 33.701 19.120 232 HA TYR 31 HA TYR 31 37.557 33.124 16.800 233 HB2 TYR 31 HB2 TYR 31 39.619 35.279 17.374 234 HB3 TYR 31 HB3 TYR 31 38.749 35.169 15.860 235 HD1 TYR 31 HD1 TYR 31 36.209 35.319 15.828 236 HD2 TYR 31 HD2 TYR 31 38.612 36.410 19.251 237 HE1 TYR 31 HE1 TYR 31 34.331 36.701 16.712 238 HE2 TYR 31 HE2 TYR 31 36.730 37.791 20.124 239 HH TYR 31 HH TYR 31 33.529 37.846 18.574 240 H ASN 32 H ASN 32 38.180 32.777 14.705 241 HA ASN 32 HA ASN 32 41.004 32.341 14.011 242 HB2 ASN 32 HB2 ASN 32 40.333 30.311 12.597 243 HB3 ASN 32 HB3 ASN 32 40.567 30.091 14.326 244 HD21 ASN 32 HD21 ASN 32 36.702 29.881 13.007 245 HD22 ASN 32 HD22 ASN 32 37.808 31.101 12.328 Start of MODEL 14 1 H1 ALA 1 H1 ALA 1 20.479 14.263 21.510 2 H2 ALA 1 H2 ALA 1 19.801 13.434 22.768 3 H3 ALA 1 H3 ALA 1 21.375 13.885 22.830 4 HA ALA 1 HA ALA 1 19.056 15.671 22.858 5 HB1 ALA 1 HB1 ALA 1 21.196 15.308 24.995 6 HB2 ALA 1 HB2 ALA 1 19.734 16.301 25.093 7 HB3 ALA 1 HB3 ALA 1 19.596 14.533 25.044 8 H PHE 2 H PHE 2 19.545 17.957 23.003 9 HA PHE 2 HA PHE 2 21.872 18.726 21.363 10 HB2 PHE 2 HB2 PHE 2 19.726 20.488 22.577 11 HB3 PHE 2 HB3 PHE 2 20.817 20.880 21.252 12 HD1 PHE 2 HD1 PHE 2 17.656 19.362 22.195 13 HD2 PHE 2 HD2 PHE 2 20.590 19.583 19.036 14 HE1 PHE 2 HE1 PHE 2 16.051 18.325 20.638 15 HE2 PHE 2 HE2 PHE 2 18.951 18.582 17.453 16 HZ PHE 2 HZ PHE 2 16.683 17.938 18.251 17 H CYS 3 H CYS 3 23.343 20.441 22.026 18 HA CYS 3 HA CYS 3 24.231 20.339 24.816 19 HB2 CYS 3 HB2 CYS 3 25.891 21.901 24.104 20 HB3 CYS 3 HB3 CYS 3 25.712 20.729 22.799 21 H ASN 4 H ASN 4 24.465 22.568 26.013 22 HA ASN 4 HA ASN 4 21.860 24.037 25.979 23 HB2 ASN 4 HB2 ASN 4 24.170 24.028 27.951 24 HB3 ASN 4 HB3 ASN 4 22.741 25.040 28.083 25 HD21 ASN 4 HD21 ASN 4 22.076 22.228 30.294 26 HD22 ASN 4 HD22 ASN 4 23.181 23.587 30.223 27 H LEU 5 H LEU 5 22.781 24.670 23.675 28 HA LEU 5 HA LEU 5 25.006 26.275 23.310 29 HB2 LEU 5 HB2 LEU 5 23.746 25.228 21.473 30 HB3 LEU 5 HB3 LEU 5 22.379 26.295 21.765 31 HG LEU 5 HG LEU 5 23.704 28.233 21.029 32 HD11 LEU 5 HD11 LEU 5 25.990 27.561 21.689 33 HD12 LEU 5 HD12 LEU 5 25.942 26.247 20.490 34 HD13 LEU 5 HD13 LEU 5 25.915 27.942 19.964 35 HD21 LEU 5 HD21 LEU 5 23.883 25.892 19.105 36 HD22 LEU 5 HD22 LEU 5 22.449 26.903 19.369 37 HD23 LEU 5 HD23 LEU 5 23.917 27.610 18.659 38 H ARG 6 H ARG 6 21.665 27.520 23.900 39 HA ARG 6 HA ARG 6 22.382 30.260 23.546 40 HB2 ARG 6 HB2 ARG 6 20.069 29.335 23.419 41 HB3 ARG 6 HB3 ARG 6 20.081 29.118 25.177 42 HG2 ARG 6 HG2 ARG 6 20.331 31.555 25.502 43 HG3 ARG 6 HG3 ARG 6 20.488 31.783 23.751 44 HD2 ARG 6 HD2 ARG 6 18.276 32.393 24.501 45 HD3 ARG 6 HD3 ARG 6 18.208 31.002 23.403 46 HE ARG 6 HE ARG 6 18.175 29.682 25.733 47 HH11 ARG 6 HH11 ARG 6 16.222 32.469 24.840 48 HH12 ARG 6 HH12 ARG 6 14.961 31.954 25.974 49 HH21 ARG 6 HH21 ARG 6 16.593 29.179 27.007 50 HH22 ARG 6 HH22 ARG 6 15.129 30.198 27.102 51 H ARG 7 H ARG 7 22.328 28.304 26.536 52 HA ARG 7 HA ARG 7 23.330 30.502 28.207 53 HB2 ARG 7 HB2 ARG 7 23.280 27.479 28.579 54 HB3 ARG 7 HB3 ARG 7 23.946 28.581 29.774 55 HG2 ARG 7 HG2 ARG 7 21.055 28.575 28.807 56 HG3 ARG 7 HG3 ARG 7 21.637 27.869 30.311 57 HD2 ARG 7 HD2 ARG 7 21.669 30.832 29.595 58 HD3 ARG 7 HD3 ARG 7 20.554 30.027 30.696 59 HE ARG 7 HE ARG 7 23.056 29.425 31.742 60 HH11 ARG 7 HH11 ARG 7 21.193 32.358 31.230 61 HH12 ARG 7 HH12 ARG 7 22.086 33.248 32.428 62 HH21 ARG 7 HH21 ARG 7 24.222 30.669 33.189 63 HH22 ARG 7 HH22 ARG 7 23.540 32.184 33.757 64 H CYS 8 H CYS 8 24.941 27.836 26.425 65 HA CYS 8 HA CYS 8 27.546 28.336 27.468 66 HB2 CYS 8 HB2 CYS 8 26.800 26.258 26.276 67 HB3 CYS 8 HB3 CYS 8 26.777 27.170 24.767 68 H GLU 9 H GLU 9 26.037 29.645 24.460 69 HA GLU 9 HA GLU 9 28.364 31.005 23.613 70 HB2 GLU 9 HB2 GLU 9 27.032 32.185 22.078 71 HB3 GLU 9 HB3 GLU 9 26.399 30.537 22.207 72 HG2 GLU 9 HG2 GLU 9 24.601 31.408 23.715 73 HG3 GLU 9 HG3 GLU 9 25.201 33.047 23.452 74 H LEU 10 H LEU 10 26.050 32.031 26.089 75 HA LEU 10 HA LEU 10 27.457 34.639 26.319 76 HB2 LEU 10 HB2 LEU 10 25.767 35.291 27.917 77 HB3 LEU 10 HB3 LEU 10 25.138 34.825 26.357 78 HG LEU 10 HG LEU 10 24.537 32.552 27.472 79 HD11 LEU 10 HD11 LEU 10 25.719 32.973 29.692 80 HD12 LEU 10 HD12 LEU 10 24.584 34.309 29.968 81 HD13 LEU 10 HD13 LEU 10 23.998 32.645 29.840 82 HD21 LEU 10 HD21 LEU 10 22.393 33.484 28.247 83 HD22 LEU 10 HD22 LEU 10 23.097 35.119 28.266 84 HD23 LEU 10 HD23 LEU 10 22.904 34.244 26.739 85 H SER 11 H SER 11 27.209 31.581 28.028 86 HA SER 11 HA SER 11 28.473 32.436 30.464 87 HB2 SER 11 HB2 SER 11 26.889 30.559 30.250 88 HB3 SER 11 HB3 SER 11 28.087 29.642 29.321 89 HG SER 11 HG SER 11 29.174 29.235 31.100 90 H CYS 12 H CYS 12 29.727 30.815 27.519 91 HA CYS 12 HA CYS 12 32.499 30.955 28.482 92 HB2 CYS 12 HB2 CYS 12 31.151 30.029 25.949 93 HB3 CYS 12 HB3 CYS 12 32.876 30.323 25.987 94 H ARG 13 H ARG 13 30.338 33.135 26.707 95 HA ARG 13 HA ARG 13 32.442 34.852 25.617 96 HB2 ARG 13 HB2 ARG 13 30.106 35.015 24.887 97 HB3 ARG 13 HB3 ARG 13 29.616 35.549 26.498 98 HG2 ARG 13 HG2 ARG 13 31.221 37.562 26.086 99 HG3 ARG 13 HG3 ARG 13 31.233 37.037 24.399 100 HD2 ARG 13 HD2 ARG 13 28.853 37.802 26.113 101 HD3 ARG 13 HD3 ARG 13 29.535 38.768 24.796 102 HE ARG 13 HE ARG 13 28.837 36.573 23.409 103 HH11 ARG 13 HH11 ARG 13 26.842 38.332 25.734 104 HH12 ARG 13 HH12 ARG 13 25.396 37.535 25.133 105 HH21 ARG 13 HH21 ARG 13 27.017 35.858 22.631 106 HH22 ARG 13 HH22 ARG 13 25.471 36.188 23.447 107 H SER 14 H SER 14 30.862 34.634 28.786 108 HA SER 14 HA SER 14 32.111 36.889 29.974 109 HB2 SER 14 HB2 SER 14 30.164 35.548 30.880 110 HB3 SER 14 HB3 SER 14 31.342 34.312 31.384 111 HG SER 14 HG SER 14 31.130 35.600 33.108 112 H LEU 15 H LEU 15 33.421 33.709 29.269 113 HA LEU 15 HA LEU 15 35.919 34.146 30.784 114 HB2 LEU 15 HB2 LEU 15 35.253 31.914 28.834 115 HB3 LEU 15 HB3 LEU 15 36.534 31.938 30.040 116 HG LEU 15 HG LEU 15 33.548 31.790 30.601 117 HD11 LEU 15 HD11 LEU 15 34.470 29.730 29.631 118 HD12 LEU 15 HD12 LEU 15 35.743 29.705 30.868 119 HD13 LEU 15 HD13 LEU 15 34.041 29.495 31.333 120 HD21 LEU 15 HD21 LEU 15 34.716 32.941 32.454 121 HD22 LEU 15 HD22 LEU 15 34.207 31.318 32.941 122 HD23 LEU 15 HD23 LEU 15 35.909 31.624 32.523 123 H GLY 16 H GLY 16 34.731 35.363 27.930 124 HA2 GLY 16 HA2 GLY 16 35.677 36.308 26.071 125 HA3 GLY 16 HA3 GLY 16 37.280 36.037 26.759 126 H LEU 17 H LEU 17 34.734 33.632 25.929 127 HA LEU 17 HA LEU 17 36.413 32.572 23.702 128 HB2 LEU 17 HB2 LEU 17 34.867 30.967 25.759 129 HB3 LEU 17 HB3 LEU 17 35.762 30.296 24.408 130 HG LEU 17 HG LEU 17 36.938 31.799 26.732 131 HD11 LEU 17 HD11 LEU 17 37.000 28.815 26.266 132 HD12 LEU 17 HD12 LEU 17 37.724 29.702 27.617 133 HD13 LEU 17 HD13 LEU 17 35.968 29.661 27.449 134 HD21 LEU 17 HD21 LEU 17 39.122 30.999 26.045 135 HD22 LEU 17 HD22 LEU 17 38.408 30.064 24.727 136 HD23 LEU 17 HD23 LEU 17 38.387 31.846 24.677 137 H LEU 18 H LEU 18 35.352 31.743 21.932 138 HA LEU 18 HA LEU 18 32.541 32.428 21.478 139 HB2 LEU 18 HB2 LEU 18 34.509 30.844 19.776 140 HB3 LEU 18 HB3 LEU 18 32.840 31.177 19.359 141 HG LEU 18 HG LEU 18 33.510 33.718 19.747 142 HD11 LEU 18 HD11 LEU 18 36.157 32.326 19.138 143 HD12 LEU 18 HD12 LEU 18 35.851 34.051 18.876 144 HD13 LEU 18 HD13 LEU 18 35.780 33.386 20.517 145 HD21 LEU 18 HD21 LEU 18 32.702 32.791 17.632 146 HD22 LEU 18 HD22 LEU 18 34.080 33.860 17.342 147 HD23 LEU 18 HD23 LEU 18 34.302 32.095 17.302 148 H GLY 19 H GLY 19 31.003 31.304 22.366 149 HA2 GLY 19 HA2 GLY 19 31.241 28.410 22.970 150 HA3 GLY 19 HA3 GLY 19 29.888 29.445 23.396 151 H LYS 20 H LYS 20 30.936 27.037 21.346 152 HA LYS 20 HA LYS 20 28.545 27.130 19.582 153 HB2 LYS 20 HB2 LYS 20 31.448 26.896 18.663 154 HB3 LYS 20 HB3 LYS 20 30.090 26.420 17.660 155 HG2 LYS 20 HG2 LYS 20 30.509 29.259 18.701 156 HG3 LYS 20 HG3 LYS 20 31.034 28.665 17.130 157 HD2 LYS 20 HD2 LYS 20 28.709 28.101 16.524 158 HD3 LYS 20 HD3 LYS 20 28.139 28.732 18.088 159 HE2 LYS 20 HE2 LYS 20 28.822 30.966 17.543 160 HE3 LYS 20 HE3 LYS 20 29.769 30.414 16.149 161 HZ1 LYS 20 HZ1 LYS 20 26.800 30.284 16.321 162 HZ2 LYS 20 HZ2 LYS 20 27.655 31.383 15.473 163 HZ3 LYS 20 HZ3 LYS 20 27.722 29.794 15.042 164 H CYS 21 H CYS 21 28.030 25.008 18.682 165 HA CYS 21 HA CYS 21 29.124 22.824 20.418 166 HB2 CYS 21 HB2 CYS 21 26.323 23.164 19.353 167 HB3 CYS 21 HB3 CYS 21 26.937 21.757 20.232 168 H ILE 22 H ILE 22 30.100 21.218 19.604 169 HA ILE 22 HA ILE 22 30.415 20.786 16.725 170 HB ILE 22 HB ILE 22 31.275 19.078 19.093 171 HG12 ILE 22 HG12 ILE 22 32.271 21.257 19.399 172 HG13 ILE 22 HG13 ILE 22 33.493 20.105 18.904 173 HG21 ILE 22 HG21 ILE 22 32.247 19.099 16.205 174 HG22 ILE 22 HG22 ILE 22 33.019 18.213 17.535 175 HG23 ILE 22 HG23 ILE 22 31.384 17.789 17.042 176 HD11 ILE 22 HD11 ILE 22 32.220 22.209 17.095 177 HD12 ILE 22 HD12 ILE 22 33.831 22.274 17.825 178 HD13 ILE 22 HD13 ILE 22 33.475 21.044 16.604 179 H GLY 23 H GLY 23 28.449 19.509 19.294 180 HA2 GLY 23 HA2 GLY 23 26.379 18.479 17.666 181 HA3 GLY 23 HA3 GLY 23 27.397 17.128 18.198 182 H GLU 24 H GLU 24 26.706 16.233 20.026 183 HA GLU 24 HA GLU 24 24.881 17.411 21.898 184 HB2 GLU 24 HB2 GLU 24 24.982 15.407 23.072 185 HB3 GLU 24 HB3 GLU 24 24.873 15.075 21.358 186 HG2 GLU 24 HG2 GLU 24 27.421 14.925 23.032 187 HG3 GLU 24 HG3 GLU 24 26.355 13.591 22.614 188 H GLU 25 H GLU 25 28.041 18.310 21.603 189 HA GLU 25 HA GLU 25 28.226 19.136 24.465 190 HB2 GLU 25 HB2 GLU 25 30.463 18.066 22.722 191 HB3 GLU 25 HB3 GLU 25 30.760 18.974 24.186 192 HG2 GLU 25 HG2 GLU 25 29.192 16.365 24.100 193 HG3 GLU 25 HG3 GLU 25 30.921 16.477 24.391 194 H CYS 26 H CYS 26 28.961 21.172 24.872 195 HA CYS 26 HA CYS 26 29.375 23.004 22.595 196 HB2 CYS 26 HB2 CYS 26 27.907 23.553 24.621 197 HB3 CYS 26 HB3 CYS 26 29.417 23.743 25.520 198 H LYS 27 H LYS 27 31.178 24.143 22.197 199 HA LYS 27 HA LYS 27 33.770 23.510 23.523 200 HB2 LYS 27 HB2 LYS 27 32.938 23.405 20.680 201 HB3 LYS 27 HB3 LYS 27 34.289 24.474 20.939 202 HG2 LYS 27 HG2 LYS 27 35.089 22.336 20.313 203 HG3 LYS 27 HG3 LYS 27 35.621 22.698 21.956 204 HD2 LYS 27 HD2 LYS 27 33.095 21.065 21.701 205 HD3 LYS 27 HD3 LYS 27 34.570 20.336 21.106 206 HE2 LYS 27 HE2 LYS 27 35.497 21.272 23.484 207 HE3 LYS 27 HE3 LYS 27 33.797 21.022 23.908 208 HZ1 LYS 27 HZ1 LYS 27 35.074 19.029 24.323 209 HZ2 LYS 27 HZ2 LYS 27 34.066 18.691 23.045 210 HZ3 LYS 27 HZ3 LYS 27 35.638 18.983 22.767 211 H CYS 28 H CYS 28 35.170 25.203 23.796 212 HA CYS 28 HA CYS 28 34.259 28.027 23.395 213 HB2 CYS 28 HB2 CYS 28 35.069 26.822 26.034 214 HB3 CYS 28 HB3 CYS 28 34.739 28.519 25.692 215 H VAL 29 H VAL 29 35.801 29.093 22.373 216 HA VAL 29 HA VAL 29 38.652 28.530 22.871 217 HB VAL 29 HB VAL 29 39.195 28.389 20.519 218 HG11 VAL 29 HG11 VAL 29 37.072 26.317 21.131 219 HG12 VAL 29 HG12 VAL 29 38.460 26.161 20.035 220 HG13 VAL 29 HG13 VAL 29 38.727 26.293 21.788 221 HG21 VAL 29 HG21 VAL 29 36.215 28.379 19.980 222 HG22 VAL 29 HG22 VAL 29 37.347 29.664 19.509 223 HG23 VAL 29 HG23 VAL 29 37.489 28.057 18.787 224 HA PRO 30 HA PRO 30 39.089 32.932 22.463 225 HB2 PRO 30 HB2 PRO 30 41.729 32.420 21.110 226 HB3 PRO 30 HB3 PRO 30 41.354 33.460 22.516 227 HG2 PRO 30 HG2 PRO 30 42.518 31.054 22.908 228 HG3 PRO 30 HG3 PRO 30 41.170 31.574 23.968 229 HD2 PRO 30 HD2 PRO 30 41.036 29.755 21.533 230 HD3 PRO 30 HD3 PRO 30 40.380 29.514 23.183 231 H TYR 31 H TYR 31 39.724 34.776 20.927 232 HA TYR 31 HA TYR 31 37.987 34.448 18.618 233 HB2 TYR 31 HB2 TYR 31 39.392 36.904 19.714 234 HB3 TYR 31 HB3 TYR 31 38.161 36.898 18.476 235 HD1 TYR 31 HD1 TYR 31 35.793 36.407 18.999 236 HD2 TYR 31 HD2 TYR 31 38.819 36.590 22.083 237 HE1 TYR 31 HE1 TYR 31 34.019 36.399 20.739 238 HE2 TYR 31 HE2 TYR 31 37.027 36.644 23.820 239 HH TYR 31 HH TYR 31 33.578 36.168 22.971 240 H ASN 32 H ASN 32 38.403 34.506 16.544 241 HA ASN 32 HA ASN 32 41.123 35.094 15.442 242 HB2 ASN 32 HB2 ASN 32 39.276 32.744 14.797 243 HB3 ASN 32 HB3 ASN 32 40.644 33.210 13.800 244 HD21 ASN 32 HD21 ASN 32 42.439 32.110 17.181 245 HD22 ASN 32 HD22 ASN 32 41.714 33.692 16.923 Start of MODEL 15 1 H1 ALA 1 H1 ALA 1 20.564 13.095 22.570 2 H2 ALA 1 H2 ALA 1 21.961 13.846 22.111 3 H3 ALA 1 H3 ALA 1 20.521 14.288 21.441 4 HA ALA 1 HA ALA 1 19.737 15.127 23.504 5 HB1 ALA 1 HB1 ALA 1 20.957 13.615 25.012 6 HB2 ALA 1 HB2 ALA 1 22.502 14.358 24.534 7 HB3 ALA 1 HB3 ALA 1 21.302 15.310 25.418 8 H PHE 2 H PHE 2 19.658 17.287 23.305 9 HA PHE 2 HA PHE 2 21.406 18.578 21.431 10 HB2 PHE 2 HB2 PHE 2 19.364 19.842 23.282 11 HB3 PHE 2 HB3 PHE 2 20.010 20.530 21.794 12 HD1 PHE 2 HD1 PHE 2 17.393 18.496 23.218 13 HD2 PHE 2 HD2 PHE 2 19.596 19.200 19.588 14 HE1 PHE 2 HE1 PHE 2 15.622 17.362 21.919 15 HE2 PHE 2 HE2 PHE 2 17.809 18.079 18.280 16 HZ PHE 2 HZ PHE 2 15.805 17.164 19.448 17 H CYS 3 H CYS 3 22.895 20.227 21.628 18 HA CYS 3 HA CYS 3 24.288 20.598 24.179 19 HB2 CYS 3 HB2 CYS 3 25.810 21.984 22.890 20 HB3 CYS 3 HB3 CYS 3 25.533 20.432 22.113 21 H ASN 4 H ASN 4 24.511 22.562 25.302 22 HA ASN 4 HA ASN 4 22.076 24.200 25.402 23 HB2 ASN 4 HB2 ASN 4 22.816 24.910 27.516 24 HB3 ASN 4 HB3 ASN 4 23.203 23.198 27.436 25 HD21 ASN 4 HD21 ASN 4 26.100 25.375 28.736 26 HD22 ASN 4 HD22 ASN 4 24.385 25.346 29.173 27 H LEU 5 H LEU 5 23.316 24.722 23.023 28 HA LEU 5 HA LEU 5 25.445 26.424 22.763 29 HB2 LEU 5 HB2 LEU 5 23.804 25.181 21.094 30 HB3 LEU 5 HB3 LEU 5 23.033 26.750 20.966 31 HG LEU 5 HG LEU 5 25.967 26.112 20.375 32 HD11 LEU 5 HD11 LEU 5 23.629 26.707 18.518 33 HD12 LEU 5 HD12 LEU 5 25.303 26.364 18.027 34 HD13 LEU 5 HD13 LEU 5 24.331 25.099 18.795 35 HD21 LEU 5 HD21 LEU 5 25.845 28.469 20.948 36 HD22 LEU 5 HD22 LEU 5 25.958 28.325 19.201 37 HD23 LEU 5 HD23 LEU 5 24.386 28.688 19.942 38 H ARG 6 H ARG 6 22.044 27.575 23.211 39 HA ARG 6 HA ARG 6 22.714 30.389 23.019 40 HB2 ARG 6 HB2 ARG 6 20.331 28.822 23.977 41 HB3 ARG 6 HB3 ARG 6 20.450 30.508 24.427 42 HG2 ARG 6 HG2 ARG 6 19.116 30.285 22.412 43 HG3 ARG 6 HG3 ARG 6 20.563 31.246 22.130 44 HD2 ARG 6 HD2 ARG 6 20.113 29.814 20.233 45 HD3 ARG 6 HD3 ARG 6 21.643 29.347 20.986 46 HE ARG 6 HE ARG 6 19.607 27.756 22.159 47 HH11 ARG 6 HH11 ARG 6 20.960 28.084 18.906 48 HH12 ARG 6 HH12 ARG 6 20.602 26.426 18.511 49 HH21 ARG 6 HH21 ARG 6 19.307 25.711 21.638 50 HH22 ARG 6 HH22 ARG 6 19.580 25.119 20.001 51 H ARG 7 H ARG 7 22.573 28.233 25.847 52 HA ARG 7 HA ARG 7 23.272 30.413 27.723 53 HB2 ARG 7 HB2 ARG 7 23.092 27.391 28.041 54 HB3 ARG 7 HB3 ARG 7 23.527 28.504 29.355 55 HG2 ARG 7 HG2 ARG 7 21.392 29.677 29.169 56 HG3 ARG 7 HG3 ARG 7 20.944 28.732 27.749 57 HD2 ARG 7 HD2 ARG 7 21.061 26.651 29.190 58 HD3 ARG 7 HD3 ARG 7 21.218 27.730 30.598 59 HE ARG 7 HE ARG 7 19.017 28.761 29.399 60 HH11 ARG 7 HH11 ARG 7 19.623 25.554 30.682 61 HH12 ARG 7 HH12 ARG 7 17.914 25.131 30.513 62 HH21 ARG 7 HH21 ARG 7 16.923 27.991 29.091 63 HH22 ARG 7 HH22 ARG 7 16.530 26.411 29.745 64 H CYS 8 H CYS 8 25.038 27.982 25.892 65 HA CYS 8 HA CYS 8 27.603 28.363 27.091 66 HB2 CYS 8 HB2 CYS 8 26.861 26.481 25.661 67 HB3 CYS 8 HB3 CYS 8 26.790 27.564 24.277 68 H GLU 9 H GLU 9 26.155 30.041 24.213 69 HA GLU 9 HA GLU 9 28.451 31.659 23.725 70 HB2 GLU 9 HB2 GLU 9 27.142 32.861 22.185 71 HB3 GLU 9 HB3 GLU 9 26.719 31.150 22.066 72 HG2 GLU 9 HG2 GLU 9 24.624 31.500 23.147 73 HG3 GLU 9 HG3 GLU 9 25.038 33.141 23.649 74 H LEU 10 H LEU 10 26.404 31.935 26.293 75 HA LEU 10 HA LEU 10 27.323 34.715 26.883 76 HB2 LEU 10 HB2 LEU 10 25.438 35.073 28.319 77 HB3 LEU 10 HB3 LEU 10 24.970 34.675 26.681 78 HG LEU 10 HG LEU 10 24.564 32.270 27.557 79 HD11 LEU 10 HD11 LEU 10 24.341 33.830 30.178 80 HD12 LEU 10 HD12 LEU 10 23.787 32.167 29.908 81 HD13 LEU 10 HD13 LEU 10 25.504 32.530 29.867 82 HD21 LEU 10 HD21 LEU 10 22.772 34.578 28.376 83 HD22 LEU 10 HD22 LEU 10 22.813 33.772 26.791 84 HD23 LEU 10 HD23 LEU 10 22.273 32.877 28.210 85 H SER 11 H SER 11 27.241 31.402 28.142 86 HA SER 11 HA SER 11 28.465 32.096 30.673 87 HB2 SER 11 HB2 SER 11 27.135 30.081 30.431 88 HB3 SER 11 HB3 SER 11 28.255 29.437 29.211 89 HG SER 11 HG SER 11 28.437 28.974 31.707 90 H CYS 12 H CYS 12 29.832 30.681 27.630 91 HA CYS 12 HA CYS 12 32.570 30.948 28.552 92 HB2 CYS 12 HB2 CYS 12 31.261 30.271 25.920 93 HB3 CYS 12 HB3 CYS 12 32.986 30.578 26.016 94 H ARG 13 H ARG 13 30.328 33.216 27.127 95 HA ARG 13 HA ARG 13 32.250 35.157 26.147 96 HB2 ARG 13 HB2 ARG 13 29.891 35.325 25.560 97 HB3 ARG 13 HB3 ARG 13 29.435 35.433 27.249 98 HG2 ARG 13 HG2 ARG 13 29.224 37.604 26.281 99 HG3 ARG 13 HG3 ARG 13 30.525 37.631 27.457 100 HD2 ARG 13 HD2 ARG 13 31.211 38.932 25.605 101 HD3 ARG 13 HD3 ARG 13 32.181 37.454 25.554 102 HE ARG 13 HE ARG 13 30.210 36.734 23.886 103 HH11 ARG 13 HH11 ARG 13 32.014 39.798 23.819 104 HH12 ARG 13 HH12 ARG 13 31.648 39.967 22.108 105 HH21 ARG 13 HH21 ARG 13 29.724 37.210 21.845 106 HH22 ARG 13 HH22 ARG 13 30.464 38.628 21.069 107 H SER 14 H SER 14 31.004 34.418 29.403 108 HA SER 14 HA SER 14 32.372 36.607 30.648 109 HB2 SER 14 HB2 SER 14 30.405 35.364 31.587 110 HB3 SER 14 HB3 SER 14 31.499 34.006 31.944 111 HG SER 14 HG SER 14 31.182 35.462 33.713 112 H LEU 15 H LEU 15 33.520 33.489 29.566 113 HA LEU 15 HA LEU 15 36.039 33.585 31.116 114 HB2 LEU 15 HB2 LEU 15 35.150 31.694 28.906 115 HB3 LEU 15 HB3 LEU 15 36.566 31.512 29.937 116 HG LEU 15 HG LEU 15 33.671 31.345 30.854 117 HD11 LEU 15 HD11 LEU 15 34.412 29.434 29.481 118 HD12 LEU 15 HD12 LEU 15 35.837 29.228 30.534 119 HD13 LEU 15 HD13 LEU 15 34.202 28.959 31.176 120 HD21 LEU 15 HD21 LEU 15 35.091 32.192 32.687 121 HD22 LEU 15 HD22 LEU 15 34.652 30.507 32.993 122 HD23 LEU 15 HD23 LEU 15 36.273 30.899 32.388 123 H GLY 16 H GLY 16 34.894 34.676 28.006 124 HA2 GLY 16 HA2 GLY 16 36.166 36.087 26.553 125 HA3 GLY 16 HA3 GLY 16 37.667 35.401 27.153 126 H LEU 17 H LEU 17 35.034 33.224 26.268 127 HA LEU 17 HA LEU 17 36.346 32.573 23.663 128 HB2 LEU 17 HB2 LEU 17 35.143 30.656 25.714 129 HB3 LEU 17 HB3 LEU 17 35.666 30.244 24.079 130 HG LEU 17 HG LEU 17 37.906 31.386 24.887 131 HD11 LEU 17 HD11 LEU 17 38.480 30.733 27.218 132 HD12 LEU 17 HD12 LEU 17 37.151 31.884 27.220 133 HD13 LEU 17 HD13 LEU 17 36.821 30.156 27.468 134 HD21 LEU 17 HD21 LEU 17 37.838 29.145 24.027 135 HD22 LEU 17 HD22 LEU 17 38.811 29.162 25.490 136 HD23 LEU 17 HD23 LEU 17 37.157 28.526 25.557 137 H LEU 18 H LEU 18 35.066 31.937 21.971 138 HA LEU 18 HA LEU 18 32.264 32.812 21.902 139 HB2 LEU 18 HB2 LEU 18 34.201 31.595 19.910 140 HB3 LEU 18 HB3 LEU 18 32.500 31.743 19.552 141 HG LEU 18 HG LEU 18 34.284 34.106 20.254 142 HD11 LEU 18 HD11 LEU 18 34.907 33.023 18.119 143 HD12 LEU 18 HD12 LEU 18 33.219 33.100 17.579 144 HD13 LEU 18 HD13 LEU 18 34.142 34.594 17.827 145 HD21 LEU 18 HD21 LEU 18 31.928 34.623 20.719 146 HD22 LEU 18 HD22 LEU 18 32.364 35.390 19.195 147 HD23 LEU 18 HD23 LEU 18 31.414 33.892 19.180 148 H GLY 19 H GLY 19 30.495 31.558 21.939 149 HA2 GLY 19 HA2 GLY 19 30.644 28.705 22.616 150 HA3 GLY 19 HA3 GLY 19 29.182 29.668 22.389 151 H LYS 20 H LYS 20 30.613 27.082 21.268 152 HA LYS 20 HA LYS 20 29.556 27.253 18.477 153 HB2 LYS 20 HB2 LYS 20 32.221 27.610 18.968 154 HB3 LYS 20 HB3 LYS 20 32.180 25.853 18.957 155 HG2 LYS 20 HG2 LYS 20 32.610 26.306 16.712 156 HG3 LYS 20 HG3 LYS 20 30.845 26.200 16.675 157 HD2 LYS 20 HD2 LYS 20 31.347 28.190 15.483 158 HD3 LYS 20 HD3 LYS 20 30.895 28.751 17.112 159 HE2 LYS 20 HE2 LYS 20 33.339 28.808 17.714 160 HE3 LYS 20 HE3 LYS 20 33.738 28.326 16.058 161 HZ1 LYS 20 HZ1 LYS 20 32.766 30.383 15.276 162 HZ2 LYS 20 HZ2 LYS 20 32.293 30.814 16.784 163 HZ3 LYS 20 HZ3 LYS 20 33.908 30.719 16.410 164 H CYS 21 H CYS 21 28.765 25.242 17.638 165 HA CYS 21 HA CYS 21 29.172 22.829 19.326 166 HB2 CYS 21 HB2 CYS 21 27.261 23.907 20.334 167 HB3 CYS 21 HB3 CYS 21 26.478 24.079 18.762 168 H ILE 22 H ILE 22 29.117 20.961 18.364 169 HA ILE 22 HA ILE 22 27.907 20.682 15.646 170 HB ILE 22 HB ILE 22 30.361 20.923 15.482 171 HG12 ILE 22 HG12 ILE 22 29.414 18.152 14.649 172 HG13 ILE 22 HG13 ILE 22 28.938 19.655 13.840 173 HG21 ILE 22 HG21 ILE 22 31.889 19.171 16.209 174 HG22 ILE 22 HG22 ILE 22 31.035 19.808 17.602 175 HG23 ILE 22 HG23 ILE 22 30.559 18.234 16.911 176 HD11 ILE 22 HD11 ILE 22 31.357 20.141 13.387 177 HD12 ILE 22 HD12 ILE 22 31.767 18.537 14.041 178 HD13 ILE 22 HD13 ILE 22 30.753 18.674 12.599 179 H GLY 23 H GLY 23 28.620 19.216 18.758 180 HA2 GLY 23 HA2 GLY 23 26.833 16.881 18.122 181 HA3 GLY 23 HA3 GLY 23 28.360 16.723 18.977 182 H GLU 24 H GLU 24 27.489 15.875 20.819 183 HA GLU 24 HA GLU 24 25.079 16.822 22.055 184 HB2 GLU 24 HB2 GLU 24 27.178 14.976 23.205 185 HB3 GLU 24 HB3 GLU 24 25.465 15.029 23.641 186 HG2 GLU 24 HG2 GLU 24 26.491 14.159 20.876 187 HG3 GLU 24 HG3 GLU 24 26.305 13.079 22.221 188 H GLU 25 H GLU 25 28.025 18.321 22.220 189 HA GLU 25 HA GLU 25 27.546 19.633 24.835 190 HB2 GLU 25 HB2 GLU 25 28.825 17.653 25.449 191 HB3 GLU 25 HB3 GLU 25 30.000 17.968 24.187 192 HG2 GLU 25 HG2 GLU 25 30.612 20.119 25.405 193 HG3 GLU 25 HG3 GLU 25 29.542 19.591 26.720 194 H CYS 26 H CYS 26 27.941 21.744 24.590 195 HA CYS 26 HA CYS 26 28.964 22.935 22.223 196 HB2 CYS 26 HB2 CYS 26 27.329 23.944 23.814 197 HB3 CYS 26 HB3 CYS 26 28.625 24.135 24.991 198 H LYS 27 H LYS 27 30.925 23.560 21.558 199 HA LYS 27 HA LYS 27 33.357 23.338 23.291 200 HB2 LYS 27 HB2 LYS 27 32.811 23.438 20.323 201 HB3 LYS 27 HB3 LYS 27 34.304 24.149 20.902 202 HG2 LYS 27 HG2 LYS 27 34.707 21.917 20.186 203 HG3 LYS 27 HG3 LYS 27 35.035 22.056 21.903 204 HD2 LYS 27 HD2 LYS 27 32.370 20.959 20.929 205 HD3 LYS 27 HD3 LYS 27 33.826 19.959 20.911 206 HE2 LYS 27 HE2 LYS 27 34.165 20.429 23.350 207 HE3 LYS 27 HE3 LYS 27 32.601 21.257 23.377 208 HZ1 LYS 27 HZ1 LYS 27 33.027 18.421 22.608 209 HZ2 LYS 27 HZ2 LYS 27 32.439 18.904 24.046 210 HZ3 LYS 27 HZ3 LYS 27 31.571 19.182 22.654 211 H CYS 28 H CYS 28 34.825 25.034 23.468 212 HA CYS 28 HA CYS 28 33.867 27.816 22.960 213 HB2 CYS 28 HB2 CYS 28 34.874 26.767 25.593 214 HB3 CYS 28 HB3 CYS 28 34.732 28.472 25.158 215 H VAL 29 H VAL 29 35.143 28.951 21.855 216 HA VAL 29 HA VAL 29 38.051 28.311 21.593 217 HB VAL 29 HB VAL 29 37.695 28.470 19.085 218 HG11 VAL 29 HG11 VAL 29 38.100 26.321 20.249 219 HG12 VAL 29 HG12 VAL 29 36.346 26.096 20.427 220 HG13 VAL 29 HG13 VAL 29 37.080 26.146 18.814 221 HG21 VAL 29 HG21 VAL 29 35.391 29.455 19.136 222 HG22 VAL 29 HG22 VAL 29 35.544 28.007 18.126 223 HG23 VAL 29 HG23 VAL 29 34.770 27.896 19.717 224 HA PRO 30 HA PRO 30 38.587 32.685 21.294 225 HB2 PRO 30 HB2 PRO 30 40.761 33.026 19.652 226 HB3 PRO 30 HB3 PRO 30 40.851 32.314 21.289 227 HG2 PRO 30 HG2 PRO 30 40.663 30.852 18.638 228 HG3 PRO 30 HG3 PRO 30 41.828 30.568 19.968 229 HD2 PRO 30 HD2 PRO 30 39.605 29.068 19.690 230 HD3 PRO 30 HD3 PRO 30 40.155 29.547 21.310 231 H TYR 31 H TYR 31 38.446 34.598 20.048 232 HA TYR 31 HA TYR 31 36.514 34.589 17.921 233 HB2 TYR 31 HB2 TYR 31 38.283 36.803 19.016 234 HB3 TYR 31 HB3 TYR 31 36.913 37.045 17.947 235 HD1 TYR 31 HD1 TYR 31 34.624 36.965 18.758 236 HD2 TYR 31 HD2 TYR 31 37.937 36.183 21.409 237 HE1 TYR 31 HE1 TYR 31 33.101 37.126 20.725 238 HE2 TYR 31 HE2 TYR 31 36.405 36.304 23.361 239 HH TYR 31 HH TYR 31 34.235 37.137 24.008 240 H ASN 32 H ASN 32 36.686 35.321 15.760 241 HA ASN 32 HA ASN 32 39.169 34.881 14.341 242 HB2 ASN 32 HB2 ASN 32 37.908 35.842 12.375 243 HB3 ASN 32 HB3 ASN 32 37.229 34.412 13.100 244 HD21 ASN 32 HD21 ASN 32 35.081 37.768 14.043 245 HD22 ASN 32 HD22 ASN 32 36.834 37.716 14.328 Start of MODEL 16 1 H1 ALA 1 H1 ALA 1 19.213 13.968 24.821 2 H2 ALA 1 H2 ALA 1 20.632 14.793 24.961 3 H3 ALA 1 H3 ALA 1 20.052 14.443 23.473 4 HA ALA 1 HA ALA 1 18.078 15.800 23.952 5 HB1 ALA 1 HB1 ALA 1 19.757 16.670 26.353 6 HB2 ALA 1 HB2 ALA 1 18.204 17.374 25.851 7 HB3 ALA 1 HB3 ALA 1 18.268 15.702 26.424 8 H PHE 2 H PHE 2 18.177 18.283 23.594 9 HA PHE 2 HA PHE 2 20.047 18.801 21.535 10 HB2 PHE 2 HB2 PHE 2 18.504 20.911 23.063 11 HB3 PHE 2 HB3 PHE 2 19.104 21.001 21.420 12 HD1 PHE 2 HD1 PHE 2 16.364 19.972 23.568 13 HD2 PHE 2 HD2 PHE 2 18.068 19.489 19.631 14 HE1 PHE 2 HE1 PHE 2 14.218 19.040 22.746 15 HE2 PHE 2 HE2 PHE 2 15.895 18.610 18.806 16 HZ PHE 2 HZ PHE 2 13.966 18.396 20.365 17 H CYS 3 H CYS 3 21.840 20.224 21.354 18 HA CYS 3 HA CYS 3 23.487 20.556 23.712 19 HB2 CYS 3 HB2 CYS 3 25.028 21.737 22.266 20 HB3 CYS 3 HB3 CYS 3 24.524 20.199 21.585 21 H ASN 4 H ASN 4 23.895 22.302 24.948 22 HA ASN 4 HA ASN 4 21.802 24.295 25.195 23 HB2 ASN 4 HB2 ASN 4 22.914 24.800 27.305 24 HB3 ASN 4 HB3 ASN 4 22.565 23.088 27.138 25 HD21 ASN 4 HD21 ASN 4 25.879 23.151 28.591 26 HD22 ASN 4 HD22 ASN 4 24.245 23.684 29.042 27 H LEU 5 H LEU 5 22.879 24.913 22.823 28 HA LEU 5 HA LEU 5 25.303 26.344 22.837 29 HB2 LEU 5 HB2 LEU 5 24.229 25.281 20.896 30 HB3 LEU 5 HB3 LEU 5 22.990 26.528 20.869 31 HG LEU 5 HG LEU 5 24.872 26.634 19.171 32 HD11 LEU 5 HD11 LEU 5 24.514 29.184 20.785 33 HD12 LEU 5 HD12 LEU 5 25.013 29.028 19.096 34 HD13 LEU 5 HD13 LEU 5 23.381 28.548 19.575 35 HD21 LEU 5 HD21 LEU 5 26.755 26.190 20.751 36 HD22 LEU 5 HD22 LEU 5 26.983 27.630 19.740 37 HD23 LEU 5 HD23 LEU 5 26.526 27.812 21.438 38 H ARG 6 H ARG 6 21.979 27.690 23.134 39 HA ARG 6 HA ARG 6 22.766 30.431 23.076 40 HB2 ARG 6 HB2 ARG 6 20.452 29.462 22.761 41 HB3 ARG 6 HB3 ARG 6 20.370 29.229 24.512 42 HG2 ARG 6 HG2 ARG 6 20.627 31.707 24.830 43 HG3 ARG 6 HG3 ARG 6 20.718 31.886 23.070 44 HD2 ARG 6 HD2 ARG 6 18.467 32.385 23.678 45 HD3 ARG 6 HD3 ARG 6 18.454 30.827 22.883 46 HE ARG 6 HE ARG 6 18.031 29.716 24.928 47 HH11 ARG 6 HH11 ARG 6 17.990 33.238 25.423 48 HH12 ARG 6 HH12 ARG 6 17.044 33.040 26.886 49 HH21 ARG 6 HH21 ARG 6 17.117 29.643 26.943 50 HH22 ARG 6 HH22 ARG 6 16.602 31.133 27.706 51 H ARG 7 H ARG 7 22.469 28.221 25.841 52 HA ARG 7 HA ARG 7 23.424 30.143 27.838 53 HB2 ARG 7 HB2 ARG 7 23.230 27.110 27.766 54 HB3 ARG 7 HB3 ARG 7 23.855 28.006 29.158 55 HG2 ARG 7 HG2 ARG 7 21.756 29.167 29.472 56 HG3 ARG 7 HG3 ARG 7 21.075 28.474 27.989 57 HD2 ARG 7 HD2 ARG 7 21.202 26.232 28.900 58 HD3 ARG 7 HD3 ARG 7 22.018 26.816 30.366 59 HE ARG 7 HE ARG 7 19.712 28.267 30.417 60 HH11 ARG 7 HH11 ARG 7 20.211 24.793 30.103 61 HH12 ARG 7 HH12 ARG 7 18.605 24.481 30.765 62 HH21 ARG 7 HH21 ARG 7 17.756 27.657 31.404 63 HH22 ARG 7 HH22 ARG 7 17.357 25.946 31.419 64 H CYS 8 H CYS 8 25.086 27.657 25.876 65 HA CYS 8 HA CYS 8 27.653 27.954 27.101 66 HB2 CYS 8 HB2 CYS 8 26.938 26.048 25.661 67 HB3 CYS 8 HB3 CYS 8 26.896 27.125 24.269 68 H GLU 9 H GLU 9 26.283 29.693 24.272 69 HA GLU 9 HA GLU 9 28.619 31.221 23.740 70 HB2 GLU 9 HB2 GLU 9 25.673 31.912 23.398 71 HB3 GLU 9 HB3 GLU 9 26.978 33.013 22.951 72 HG2 GLU 9 HG2 GLU 9 27.974 31.112 21.570 73 HG3 GLU 9 HG3 GLU 9 26.435 30.263 21.780 74 H LEU 10 H LEU 10 26.115 31.844 26.278 75 HA LEU 10 HA LEU 10 27.449 34.388 26.960 76 HB2 LEU 10 HB2 LEU 10 25.669 34.914 28.364 77 HB3 LEU 10 HB3 LEU 10 25.019 34.261 26.878 78 HG LEU 10 HG LEU 10 24.767 32.033 28.254 79 HD11 LEU 10 HD11 LEU 10 24.216 32.443 30.648 80 HD12 LEU 10 HD12 LEU 10 25.925 32.702 30.343 81 HD13 LEU 10 HD13 LEU 10 24.836 34.097 30.502 82 HD21 LEU 10 HD21 LEU 10 23.016 34.451 28.744 83 HD22 LEU 10 HD22 LEU 10 22.911 33.302 27.381 84 HD23 LEU 10 HD23 LEU 10 22.546 32.760 29.022 85 H SER 11 H SER 11 27.358 31.135 28.148 86 HA SER 11 HA SER 11 28.644 31.518 30.706 87 HB2 SER 11 HB2 SER 11 27.409 29.510 30.375 88 HB3 SER 11 HB3 SER 11 28.208 29.187 28.833 89 HG SER 11 HG SER 11 29.475 29.095 31.389 90 H CYS 12 H CYS 12 29.886 30.455 27.479 91 HA CYS 12 HA CYS 12 32.657 30.586 28.342 92 HB2 CYS 12 HB2 CYS 12 31.363 30.433 25.597 93 HB3 CYS 12 HB3 CYS 12 33.103 30.346 25.901 94 H ARG 13 H ARG 13 30.395 32.933 26.950 95 HA ARG 13 HA ARG 13 32.450 34.903 26.321 96 HB2 ARG 13 HB2 ARG 13 30.327 35.036 25.227 97 HB3 ARG 13 HB3 ARG 13 29.482 35.252 26.777 98 HG2 ARG 13 HG2 ARG 13 30.360 37.436 27.061 99 HG3 ARG 13 HG3 ARG 13 31.607 37.197 25.833 100 HD2 ARG 13 HD2 ARG 13 29.731 38.704 25.120 101 HD3 ARG 13 HD3 ARG 13 30.088 37.359 24.053 102 HE ARG 13 HE ARG 13 27.950 36.713 24.212 103 HH11 ARG 13 HH11 ARG 13 28.464 38.508 27.213 104 HH12 ARG 13 HH12 ARG 13 26.876 38.013 27.805 105 HH21 ARG 13 HH21 ARG 13 25.846 36.467 25.013 106 HH22 ARG 13 HH22 ARG 13 25.537 36.988 26.651 107 H SER 14 H SER 14 31.138 33.881 29.383 108 HA SER 14 HA SER 14 31.864 36.251 30.837 109 HB2 SER 14 HB2 SER 14 30.436 34.524 31.818 110 HB3 SER 14 HB3 SER 14 31.786 33.365 31.749 111 HG SER 14 HG SER 14 31.604 35.748 33.288 112 H LEU 15 H LEU 15 33.787 33.734 29.386 113 HA LEU 15 HA LEU 15 36.317 34.822 30.489 114 HB2 LEU 15 HB2 LEU 15 35.819 32.357 28.796 115 HB3 LEU 15 HB3 LEU 15 37.344 32.811 29.569 116 HG LEU 15 HG LEU 15 34.814 32.013 31.063 117 HD11 LEU 15 HD11 LEU 15 35.784 30.141 29.781 118 HD12 LEU 15 HD12 LEU 15 37.364 30.444 30.538 119 HD13 LEU 15 HD13 LEU 15 35.983 29.917 31.526 120 HD21 LEU 15 HD21 LEU 15 36.303 33.497 32.366 121 HD22 LEU 15 HD22 LEU 15 36.298 31.848 33.016 122 HD23 LEU 15 HD23 LEU 15 37.667 32.419 32.033 123 H GLY 16 H GLY 16 34.292 35.641 28.098 124 HA2 GLY 16 HA2 GLY 16 34.512 36.849 26.138 125 HA3 GLY 16 HA3 GLY 16 36.258 36.591 26.159 126 H LEU 17 H LEU 17 35.886 33.570 26.355 127 HA LEU 17 HA LEU 17 36.344 32.934 23.710 128 HB2 LEU 17 HB2 LEU 17 35.491 31.305 26.127 129 HB3 LEU 17 HB3 LEU 17 35.745 30.554 24.563 130 HG LEU 17 HG LEU 17 38.040 31.299 24.473 131 HD11 LEU 17 HD11 LEU 17 37.678 32.413 27.262 132 HD12 LEU 17 HD12 LEU 17 39.230 32.148 26.455 133 HD13 LEU 17 HD13 LEU 17 38.111 33.330 25.795 134 HD21 LEU 17 HD21 LEU 17 37.452 29.116 25.509 135 HD22 LEU 17 HD22 LEU 17 38.919 29.800 26.218 136 HD23 LEU 17 HD23 LEU 17 37.377 29.897 27.099 137 H LEU 18 H LEU 18 35.294 32.098 22.009 138 HA LEU 18 HA LEU 18 32.474 32.716 21.716 139 HB2 LEU 18 HB2 LEU 18 34.279 33.183 20.018 140 HB3 LEU 18 HB3 LEU 18 34.423 31.442 19.773 141 HG LEU 18 HG LEU 18 31.971 31.414 19.085 142 HD11 LEU 18 HD11 LEU 18 32.377 34.439 19.126 143 HD12 LEU 18 HD12 LEU 18 31.012 33.601 18.364 144 HD13 LEU 18 HD13 LEU 18 31.214 33.523 20.114 145 HD21 LEU 18 HD21 LEU 18 33.777 31.404 17.412 146 HD22 LEU 18 HD22 LEU 18 32.395 32.357 16.846 147 HD23 LEU 18 HD23 LEU 18 33.842 33.178 17.453 148 H GLY 19 H GLY 19 30.818 31.326 22.066 149 HA2 GLY 19 HA2 GLY 19 31.303 28.482 22.578 150 HA3 GLY 19 HA3 GLY 19 29.760 29.315 22.688 151 H LYS 20 H LYS 20 30.969 26.775 21.311 152 HA LYS 20 HA LYS 20 29.202 26.908 18.925 153 HB2 LYS 20 HB2 LYS 20 32.094 25.962 18.816 154 HB3 LYS 20 HB3 LYS 20 30.911 25.667 17.558 155 HG2 LYS 20 HG2 LYS 20 31.836 28.442 18.411 156 HG3 LYS 20 HG3 LYS 20 32.469 27.532 17.043 157 HD2 LYS 20 HD2 LYS 20 30.286 27.557 15.926 158 HD3 LYS 20 HD3 LYS 20 29.557 28.357 17.321 159 HE2 LYS 20 HE2 LYS 20 31.256 30.253 16.971 160 HE3 LYS 20 HE3 LYS 20 31.649 29.495 15.417 161 HZ1 LYS 20 HZ1 LYS 20 29.936 31.183 15.124 162 HZ2 LYS 20 HZ2 LYS 20 29.270 29.723 14.835 163 HZ3 LYS 20 HZ3 LYS 20 28.994 30.504 16.275 164 H CYS 21 H CYS 21 28.011 25.221 18.629 165 HA CYS 21 HA CYS 21 28.255 22.842 20.377 166 HB2 CYS 21 HB2 CYS 21 26.124 23.757 20.402 167 HB3 CYS 21 HB3 CYS 21 26.081 24.046 18.668 168 H ILE 22 H ILE 22 28.650 20.847 19.722 169 HA ILE 22 HA ILE 22 29.138 20.170 16.846 170 HB ILE 22 HB ILE 22 30.974 19.599 19.208 171 HG12 ILE 22 HG12 ILE 22 31.457 21.243 16.685 172 HG13 ILE 22 HG13 ILE 22 31.194 21.904 18.301 173 HG21 ILE 22 HG21 ILE 22 31.248 18.686 16.309 174 HG22 ILE 22 HG22 ILE 22 32.445 18.432 17.598 175 HG23 ILE 22 HG23 ILE 22 30.897 17.639 17.704 176 HD11 ILE 22 HD11 ILE 22 33.274 20.699 19.069 177 HD12 ILE 22 HD12 ILE 22 33.608 20.345 17.356 178 HD13 ILE 22 HD13 ILE 22 33.518 22.020 17.907 179 H GLY 23 H GLY 23 28.348 19.046 20.142 180 HA2 GLY 23 HA2 GLY 23 26.833 16.745 19.269 181 HA3 GLY 23 HA3 GLY 23 28.449 16.283 19.835 182 H GLU 24 H GLU 24 28.279 15.516 21.899 183 HA GLU 24 HA GLU 24 26.086 16.441 23.620 184 HB2 GLU 24 HB2 GLU 24 26.656 14.726 25.129 185 HB3 GLU 24 HB3 GLU 24 26.412 14.128 23.498 186 HG2 GLU 24 HG2 GLU 24 29.203 14.673 24.556 187 HG3 GLU 24 HG3 GLU 24 28.310 13.216 24.950 188 H GLU 25 H GLU 25 29.305 17.511 23.273 189 HA GLU 25 HA GLU 25 29.093 19.113 25.788 190 HB2 GLU 25 HB2 GLU 25 30.722 17.274 26.105 191 HB3 GLU 25 HB3 GLU 25 31.575 17.792 24.634 192 HG2 GLU 25 HG2 GLU 25 32.053 19.986 25.720 193 HG3 GLU 25 HG3 GLU 25 31.286 19.404 27.190 194 H CYS 26 H CYS 26 29.307 21.294 25.461 195 HA CYS 26 HA CYS 26 29.718 22.337 22.783 196 HB2 CYS 26 HB2 CYS 26 28.115 23.246 24.483 197 HB3 CYS 26 HB3 CYS 26 29.495 23.794 25.428 198 H LYS 27 H LYS 27 31.475 23.454 21.919 199 HA LYS 27 HA LYS 27 34.052 23.383 23.481 200 HB2 LYS 27 HB2 LYS 27 33.414 23.052 20.553 201 HB3 LYS 27 HB3 LYS 27 34.912 23.852 20.994 202 HG2 LYS 27 HG2 LYS 27 35.346 21.549 20.593 203 HG3 LYS 27 HG3 LYS 27 35.676 21.921 22.276 204 HD2 LYS 27 HD2 LYS 27 32.964 20.806 21.560 205 HD3 LYS 27 HD3 LYS 27 34.335 19.721 21.449 206 HE2 LYS 27 HE2 LYS 27 33.640 21.275 23.977 207 HE3 LYS 27 HE3 LYS 27 33.076 19.643 23.610 208 HZ1 LYS 27 HZ1 LYS 27 35.553 19.127 23.338 209 HZ2 LYS 27 HZ2 LYS 27 35.845 20.485 24.200 210 HZ3 LYS 27 HZ3 LYS 27 34.944 19.274 24.858 211 H CYS 28 H CYS 28 35.274 25.142 23.757 212 HA CYS 28 HA CYS 28 34.313 27.750 22.691 213 HB2 CYS 28 HB2 CYS 28 34.719 27.042 25.607 214 HB3 CYS 28 HB3 CYS 28 34.571 28.696 24.997 215 H VAL 29 H VAL 29 35.831 29.062 21.990 216 HA VAL 29 HA VAL 29 38.610 28.977 22.973 217 HB VAL 29 HB VAL 29 39.542 28.773 20.696 218 HG11 VAL 29 HG11 VAL 29 37.916 26.309 21.369 219 HG12 VAL 29 HG12 VAL 29 39.422 26.404 20.441 220 HG13 VAL 29 HG13 VAL 29 39.434 26.779 22.175 221 HG21 VAL 29 HG21 VAL 29 36.764 27.924 19.826 222 HG22 VAL 29 HG22 VAL 29 37.584 29.439 19.380 223 HG23 VAL 29 HG23 VAL 29 38.241 27.884 18.844 224 HA PRO 30 HA PRO 30 38.139 33.250 22.285 225 HB2 PRO 30 HB2 PRO 30 40.672 34.242 22.158 226 HB3 PRO 30 HB3 PRO 30 39.989 33.468 23.617 227 HG2 PRO 30 HG2 PRO 30 41.758 32.214 21.496 228 HG3 PRO 30 HG3 PRO 30 41.949 32.143 23.279 229 HD2 PRO 30 HD2 PRO 30 40.757 30.142 21.862 230 HD3 PRO 30 HD3 PRO 30 40.191 30.596 23.497 231 H TYR 31 H TYR 31 37.478 34.515 20.734 232 HA TYR 31 HA TYR 31 38.880 34.765 18.101 233 HB2 TYR 31 HB2 TYR 31 35.943 34.489 18.764 234 HB3 TYR 31 HB3 TYR 31 36.419 35.409 17.367 235 HD1 TYR 31 HD1 TYR 31 37.278 34.430 15.361 236 HD2 TYR 31 HD2 TYR 31 36.512 32.008 18.852 237 HE1 TYR 31 HE1 TYR 31 37.472 32.390 13.983 238 HE2 TYR 31 HE2 TYR 31 36.685 29.960 17.450 239 HH TYR 31 HH TYR 31 37.333 30.129 13.914 240 H ASN 32 H ASN 32 37.958 36.857 16.970 241 HA ASN 32 HA ASN 32 38.951 39.066 18.581 242 HB2 ASN 32 HB2 ASN 32 39.115 40.232 16.528 243 HB3 ASN 32 HB3 ASN 32 39.613 38.584 16.181 244 HD21 ASN 32 HD21 ASN 32 36.797 40.188 13.933 245 HD22 ASN 32 HD22 ASN 32 37.849 41.109 15.013 Start of MODEL 17 1 H1 ALA 1 H1 ALA 1 22.311 13.891 21.353 2 H2 ALA 1 H2 ALA 1 20.912 13.986 20.478 3 H3 ALA 1 H3 ALA 1 21.009 12.970 21.776 4 HA ALA 1 HA ALA 1 19.722 14.883 22.309 5 HB1 ALA 1 HB1 ALA 1 20.946 15.593 24.336 6 HB2 ALA 1 HB2 ALA 1 21.046 13.836 24.114 7 HB3 ALA 1 HB3 ALA 1 22.437 14.873 23.699 8 H PHE 2 H PHE 2 19.464 17.116 22.437 9 HA PHE 2 HA PHE 2 21.069 18.819 20.683 10 HB2 PHE 2 HB2 PHE 2 18.958 19.571 22.739 11 HB3 PHE 2 HB3 PHE 2 19.543 20.576 21.408 12 HD1 PHE 2 HD1 PHE 2 19.195 19.630 18.974 13 HD2 PHE 2 HD2 PHE 2 17.086 18.182 22.437 14 HE1 PHE 2 HE1 PHE 2 17.502 18.566 17.511 15 HE2 PHE 2 HE2 PHE 2 15.443 17.090 20.977 16 HZ PHE 2 HZ PHE 2 15.615 17.284 18.495 17 H CYS 3 H CYS 3 22.149 20.800 21.387 18 HA CYS 3 HA CYS 3 23.568 20.488 24.009 19 HB2 CYS 3 HB2 CYS 3 25.341 21.801 22.996 20 HB3 CYS 3 HB3 CYS 3 24.976 20.361 22.055 21 H ASN 4 H ASN 4 24.184 22.518 25.092 22 HA ASN 4 HA ASN 4 21.887 24.398 25.266 23 HB2 ASN 4 HB2 ASN 4 24.249 23.841 27.119 24 HB3 ASN 4 HB3 ASN 4 22.994 25.037 27.416 25 HD21 ASN 4 HD21 ASN 4 20.553 22.754 28.466 26 HD22 ASN 4 HD22 ASN 4 20.758 24.309 27.652 27 H LEU 5 H LEU 5 23.022 25.021 22.940 28 HA LEU 5 HA LEU 5 25.451 26.453 22.912 29 HB2 LEU 5 HB2 LEU 5 24.366 25.537 20.908 30 HB3 LEU 5 HB3 LEU 5 23.046 26.699 21.078 31 HG LEU 5 HG LEU 5 24.569 28.574 20.644 32 HD11 LEU 5 HD11 LEU 5 26.704 27.734 21.470 33 HD12 LEU 5 HD12 LEU 5 26.704 26.439 20.250 34 HD13 LEU 5 HD13 LEU 5 26.853 28.139 19.763 35 HD21 LEU 5 HD21 LEU 5 24.780 26.376 18.554 36 HD22 LEU 5 HD22 LEU 5 23.396 27.472 18.782 37 HD23 LEU 5 HD23 LEU 5 24.964 28.126 18.279 38 H ARG 6 H ARG 6 22.140 27.764 23.513 39 HA ARG 6 HA ARG 6 22.951 30.519 23.409 40 HB2 ARG 6 HB2 ARG 6 20.808 31.045 24.263 41 HB3 ARG 6 HB3 ARG 6 20.656 29.691 23.154 42 HG2 ARG 6 HG2 ARG 6 20.655 28.171 25.282 43 HG3 ARG 6 HG3 ARG 6 20.456 29.674 26.187 44 HD2 ARG 6 HD2 ARG 6 18.270 28.797 25.815 45 HD3 ARG 6 HD3 ARG 6 18.475 30.214 24.765 46 HE ARG 6 HE ARG 6 19.179 27.889 23.271 47 HH11 ARG 6 HH11 ARG 6 16.304 29.284 24.695 48 HH12 ARG 6 HH12 ARG 6 15.230 28.446 23.604 49 HH21 ARG 6 HH21 ARG 6 17.846 27.224 21.664 50 HH22 ARG 6 HH22 ARG 6 16.115 27.446 21.771 51 H ARG 7 H ARG 7 22.885 28.283 26.098 52 HA ARG 7 HA ARG 7 23.681 30.218 28.150 53 HB2 ARG 7 HB2 ARG 7 22.284 28.134 28.511 54 HB3 ARG 7 HB3 ARG 7 23.736 27.171 28.206 55 HG2 ARG 7 HG2 ARG 7 24.860 28.349 30.129 56 HG3 ARG 7 HG3 ARG 7 23.346 29.197 30.463 57 HD2 ARG 7 HD2 ARG 7 23.724 26.175 30.436 58 HD3 ARG 7 HD3 ARG 7 23.701 27.171 31.895 59 HE ARG 7 HE ARG 7 21.344 27.885 31.058 60 HH11 ARG 7 HH11 ARG 7 22.533 24.574 30.647 61 HH12 ARG 7 HH12 ARG 7 20.908 23.931 30.586 62 HH21 ARG 7 HH21 ARG 7 19.381 26.976 31.154 63 HH22 ARG 7 HH22 ARG 7 19.176 25.262 31.028 64 H CYS 8 H CYS 8 25.306 27.735 26.195 65 HA CYS 8 HA CYS 8 27.971 28.023 27.175 66 HB2 CYS 8 HB2 CYS 8 27.087 26.224 25.751 67 HB3 CYS 8 HB3 CYS 8 26.808 27.372 24.453 68 H GLU 9 H GLU 9 26.332 29.730 24.462 69 HA GLU 9 HA GLU 9 28.474 31.440 23.770 70 HB2 GLU 9 HB2 GLU 9 25.479 31.374 23.307 71 HB3 GLU 9 HB3 GLU 9 26.325 32.826 22.857 72 HG2 GLU 9 HG2 GLU 9 27.323 30.159 21.863 73 HG3 GLU 9 HG3 GLU 9 25.996 31.030 21.091 74 H LEU 10 H LEU 10 26.323 31.745 26.460 75 HA LEU 10 HA LEU 10 27.233 34.569 26.867 76 HB2 LEU 10 HB2 LEU 10 25.506 34.995 28.336 77 HB3 LEU 10 HB3 LEU 10 24.820 34.148 26.976 78 HG LEU 10 HG LEU 10 25.021 32.035 28.570 79 HD11 LEU 10 HD11 LEU 10 24.791 34.327 30.575 80 HD12 LEU 10 HD12 LEU 10 24.573 32.604 30.931 81 HD13 LEU 10 HD13 LEU 10 26.161 33.211 30.473 82 HD21 LEU 10 HD21 LEU 10 22.922 32.937 27.682 83 HD22 LEU 10 HD22 LEU 10 22.742 32.476 29.379 84 HD23 LEU 10 HD23 LEU 10 22.919 34.189 28.943 85 H SER 11 H SER 11 27.443 31.346 28.362 86 HA SER 11 HA SER 11 28.775 32.353 30.741 87 HB2 SER 11 HB2 SER 11 27.482 30.277 30.840 88 HB3 SER 11 HB3 SER 11 28.602 29.504 29.697 89 HG SER 11 HG SER 11 29.246 29.029 31.822 90 H CYS 12 H CYS 12 30.000 30.493 27.861 91 HA CYS 12 HA CYS 12 32.765 30.722 28.647 92 HB2 CYS 12 HB2 CYS 12 31.351 30.192 26.005 93 HB3 CYS 12 HB3 CYS 12 33.091 30.205 26.166 94 H ARG 13 H ARG 13 30.560 32.913 27.000 95 HA ARG 13 HA ARG 13 32.568 34.709 25.961 96 HB2 ARG 13 HB2 ARG 13 30.303 34.392 25.106 97 HB3 ARG 13 HB3 ARG 13 29.618 35.176 26.539 98 HG2 ARG 13 HG2 ARG 13 30.700 37.284 25.956 99 HG3 ARG 13 HG3 ARG 13 31.587 36.517 24.628 100 HD2 ARG 13 HD2 ARG 13 28.559 36.802 24.814 101 HD3 ARG 13 HD3 ARG 13 29.620 37.817 23.836 102 HE ARG 13 HE ARG 13 28.916 34.960 23.364 103 HH11 ARG 13 HH11 ARG 13 30.903 37.683 22.150 104 HH12 ARG 13 HH12 ARG 13 30.974 36.896 20.579 105 HH21 ARG 13 HH21 ARG 13 29.364 34.079 21.312 106 HH22 ARG 13 HH22 ARG 13 30.197 35.108 20.147 107 H SER 14 H SER 14 31.105 34.401 29.156 108 HA SER 14 HA SER 14 32.011 36.943 30.130 109 HB2 SER 14 HB2 SER 14 31.640 36.119 32.337 110 HB3 SER 14 HB3 SER 14 30.338 35.514 31.301 111 HG SER 14 HG SER 14 31.537 33.513 31.163 112 H LEU 15 H LEU 15 33.709 33.909 29.585 113 HA LEU 15 HA LEU 15 36.243 34.862 30.785 114 HB2 LEU 15 HB2 LEU 15 35.723 32.413 29.080 115 HB3 LEU 15 HB3 LEU 15 37.114 32.728 30.108 116 HG LEU 15 HG LEU 15 34.259 32.130 31.010 117 HD11 LEU 15 HD11 LEU 15 36.856 30.567 31.306 118 HD12 LEU 15 HD12 LEU 15 35.261 30.083 31.918 119 HD13 LEU 15 HD13 LEU 15 35.539 30.191 30.173 120 HD21 LEU 15 HD21 LEU 15 35.254 33.687 32.623 121 HD22 LEU 15 HD22 LEU 15 35.205 32.061 33.308 122 HD23 LEU 15 HD23 LEU 15 36.737 32.711 32.687 123 H GLY 16 H GLY 16 34.594 34.943 27.752 124 HA2 GLY 16 HA2 GLY 16 35.197 36.362 25.955 125 HA3 GLY 16 HA3 GLY 16 36.910 36.203 26.345 126 H LEU 17 H LEU 17 35.095 33.225 26.373 127 HA LEU 17 HA LEU 17 36.189 32.420 23.738 128 HB2 LEU 17 HB2 LEU 17 35.066 30.851 26.099 129 HB3 LEU 17 HB3 LEU 17 35.437 30.163 24.513 130 HG LEU 17 HG LEU 17 37.775 31.177 24.861 131 HD11 LEU 17 HD11 LEU 17 37.381 32.440 26.980 132 HD12 LEU 17 HD12 LEU 17 36.893 30.920 27.778 133 HD13 LEU 17 HD13 LEU 17 38.561 31.170 27.232 134 HD21 LEU 17 HD21 LEU 17 36.837 28.762 26.451 135 HD22 LEU 17 HD22 LEU 17 37.429 28.801 24.769 136 HD23 LEU 17 HD23 LEU 17 38.536 29.136 26.088 137 H LEU 18 H LEU 18 34.978 31.909 22.080 138 HA LEU 18 HA LEU 18 32.173 32.631 21.796 139 HB2 LEU 18 HB2 LEU 18 33.848 32.769 19.959 140 HB3 LEU 18 HB3 LEU 18 34.195 31.054 20.132 141 HG LEU 18 HG LEU 18 31.835 30.536 19.404 142 HD11 LEU 18 HD11 LEU 18 31.818 33.512 18.726 143 HD12 LEU 18 HD12 LEU 18 30.614 32.322 18.191 144 HD13 LEU 18 HD13 LEU 18 30.767 32.697 19.908 145 HD21 LEU 18 HD21 LEU 18 33.754 30.452 17.860 146 HD22 LEU 18 HD22 LEU 18 32.270 30.980 17.052 147 HD23 LEU 18 HD23 LEU 18 33.519 32.174 17.474 148 H GLY 19 H GLY 19 30.404 31.308 22.053 149 HA2 GLY 19 HA2 GLY 19 30.759 28.504 22.971 150 HA3 GLY 19 HA3 GLY 19 29.241 29.371 22.759 151 H LYS 20 H LYS 20 31.056 26.954 21.546 152 HA LYS 20 HA LYS 20 30.023 27.137 18.742 153 HB2 LYS 20 HB2 LYS 20 32.519 27.761 19.258 154 HB3 LYS 20 HB3 LYS 20 32.754 26.043 19.539 155 HG2 LYS 20 HG2 LYS 20 33.311 26.321 17.267 156 HG3 LYS 20 HG3 LYS 20 31.659 25.711 17.209 157 HD2 LYS 20 HD2 LYS 20 31.093 28.382 17.251 158 HD3 LYS 20 HD3 LYS 20 32.740 28.451 16.581 159 HE2 LYS 20 HE2 LYS 20 32.031 26.723 14.890 160 HE3 LYS 20 HE3 LYS 20 30.397 26.817 15.558 161 HZ1 LYS 20 HZ1 LYS 20 30.675 28.237 13.588 162 HZ2 LYS 20 HZ2 LYS 20 30.344 29.168 14.907 163 HZ3 LYS 20 HZ3 LYS 20 31.858 29.106 14.333 164 H CYS 21 H CYS 21 28.461 25.662 18.696 165 HA CYS 21 HA CYS 21 29.002 22.879 19.690 166 HB2 CYS 21 HB2 CYS 21 27.156 23.923 20.898 167 HB3 CYS 21 HB3 CYS 21 26.360 24.326 19.382 168 H ILE 22 H ILE 22 29.142 21.329 18.270 169 HA ILE 22 HA ILE 22 27.599 21.456 15.723 170 HB ILE 22 HB ILE 22 29.937 22.055 15.298 171 HG12 ILE 22 HG12 ILE 22 29.219 19.343 14.103 172 HG13 ILE 22 HG13 ILE 22 28.508 20.886 13.613 173 HG21 ILE 22 HG21 ILE 22 31.043 20.727 17.092 174 HG22 ILE 22 HG22 ILE 22 30.692 19.236 16.189 175 HG23 ILE 22 HG23 ILE 22 31.774 20.472 15.523 176 HD11 ILE 22 HD11 ILE 22 30.791 21.700 12.971 177 HD12 ILE 22 HD12 ILE 22 31.423 20.068 13.327 178 HD13 ILE 22 HD13 ILE 22 30.234 20.287 12.042 179 H GLY 23 H GLY 23 28.822 19.548 18.373 180 HA2 GLY 23 HA2 GLY 23 27.427 17.070 17.430 181 HA3 GLY 23 HA3 GLY 23 28.712 17.182 18.617 182 H GLU 24 H GLU 24 27.667 16.100 20.201 183 HA GLU 24 HA GLU 24 24.974 16.571 21.149 184 HB2 GLU 24 HB2 GLU 24 27.396 15.272 22.476 185 HB3 GLU 24 HB3 GLU 24 25.739 15.126 23.045 186 HG2 GLU 24 HG2 GLU 24 26.708 14.112 20.331 187 HG3 GLU 24 HG3 GLU 24 26.628 13.144 21.796 188 H GLU 25 H GLU 25 27.983 18.206 21.841 189 HA GLU 25 HA GLU 25 26.752 19.745 24.052 190 HB2 GLU 25 HB2 GLU 25 27.843 17.819 25.115 191 HB3 GLU 25 HB3 GLU 25 29.364 18.202 24.302 192 HG2 GLU 25 HG2 GLU 25 29.531 20.325 25.523 193 HG3 GLU 25 HG3 GLU 25 27.936 20.067 26.248 194 H CYS 26 H CYS 26 27.453 21.809 24.227 195 HA CYS 26 HA CYS 26 28.895 22.964 21.991 196 HB2 CYS 26 HB2 CYS 26 26.952 23.988 23.164 197 HB3 CYS 26 HB3 CYS 26 27.937 24.178 24.602 198 H LYS 27 H LYS 27 31.012 23.335 21.768 199 HA LYS 27 HA LYS 27 32.858 23.219 24.110 200 HB2 LYS 27 HB2 LYS 27 33.386 23.112 21.108 201 HB3 LYS 27 HB3 LYS 27 34.626 23.061 22.353 202 HG2 LYS 27 HG2 LYS 27 32.488 20.940 21.873 203 HG3 LYS 27 HG3 LYS 27 34.194 20.853 21.473 204 HD2 LYS 27 HD2 LYS 27 34.388 19.749 23.407 205 HD3 LYS 27 HD3 LYS 27 34.433 21.342 24.142 206 HE2 LYS 27 HE2 LYS 27 32.015 21.209 24.645 207 HE3 LYS 27 HE3 LYS 27 31.894 19.705 23.710 208 HZ1 LYS 27 HZ1 LYS 27 33.321 20.035 26.290 209 HZ2 LYS 27 HZ2 LYS 27 32.022 19.098 25.994 210 HZ3 LYS 27 HZ3 LYS 27 33.479 18.719 25.338 211 H CYS 28 H CYS 28 34.625 24.764 24.155 212 HA CYS 28 HA CYS 28 33.851 27.490 23.172 213 HB2 CYS 28 HB2 CYS 28 34.730 26.655 25.935 214 HB3 CYS 28 HB3 CYS 28 34.541 28.324 25.371 215 H VAL 29 H VAL 29 35.224 28.731 22.293 216 HA VAL 29 HA VAL 29 38.151 28.209 22.244 217 HB VAL 29 HB VAL 29 38.054 28.268 19.728 218 HG11 VAL 29 HG11 VAL 29 36.640 25.861 20.920 219 HG12 VAL 29 HG12 VAL 29 37.598 25.935 19.438 220 HG13 VAL 29 HG13 VAL 29 38.392 26.168 21.001 221 HG21 VAL 29 HG21 VAL 29 35.751 29.170 19.438 222 HG22 VAL 29 HG22 VAL 29 36.014 27.662 18.553 223 HG23 VAL 29 HG23 VAL 29 35.090 27.643 20.063 224 HA PRO 30 HA PRO 30 38.350 32.647 21.634 225 HB2 PRO 30 HB2 PRO 30 40.356 32.179 19.448 226 HB3 PRO 30 HB3 PRO 30 40.469 33.268 20.861 227 HG2 PRO 30 HG2 PRO 30 41.801 30.909 20.819 228 HG3 PRO 30 HG3 PRO 30 40.967 31.446 22.316 229 HD2 PRO 30 HD2 PRO 30 40.007 29.451 20.245 230 HD3 PRO 30 HD3 PRO 30 39.966 29.346 22.030 231 H TYR 31 H TYR 31 38.122 34.406 19.985 232 HA TYR 31 HA TYR 31 35.979 33.869 18.124 233 HB2 TYR 31 HB2 TYR 31 37.536 36.441 18.522 234 HB3 TYR 31 HB3 TYR 31 35.947 36.263 17.803 235 HD1 TYR 31 HD1 TYR 31 34.184 34.962 19.452 236 HD2 TYR 31 HD2 TYR 31 37.536 37.396 20.656 237 HE1 TYR 31 HE1 TYR 31 33.103 35.373 21.668 238 HE2 TYR 31 HE2 TYR 31 36.443 37.815 22.855 239 HH TYR 31 HH TYR 31 34.525 37.582 24.092 240 H ASN 32 H ASN 32 38.048 32.349 17.178 241 HA ASN 32 HA ASN 32 39.940 33.499 15.445 242 HB2 ASN 32 HB2 ASN 32 38.730 30.703 15.432 243 HB3 ASN 32 HB3 ASN 32 40.191 31.163 14.582 244 HD21 ASN 32 HD21 ASN 32 40.900 29.687 18.037 245 HD22 ASN 32 HD22 ASN 32 39.511 29.322 17.028 Start of MODEL 18 1 H1 ALA 1 H1 ALA 1 22.694 13.402 22.663 2 H2 ALA 1 H2 ALA 1 21.056 13.548 22.530 3 H3 ALA 1 H3 ALA 1 21.697 12.702 23.781 4 HA ALA 1 HA ALA 1 21.013 14.732 24.660 5 HB1 ALA 1 HB1 ALA 1 24.028 14.753 24.258 6 HB2 ALA 1 HB2 ALA 1 23.132 15.662 25.482 7 HB3 ALA 1 HB3 ALA 1 23.152 13.889 25.540 8 H PHE 2 H PHE 2 20.233 16.801 24.147 9 HA PHE 2 HA PHE 2 21.250 18.231 21.812 10 HB2 PHE 2 HB2 PHE 2 19.720 19.389 24.163 11 HB3 PHE 2 HB3 PHE 2 19.863 20.056 22.539 12 HD1 PHE 2 HD1 PHE 2 18.020 17.856 24.733 13 HD2 PHE 2 HD2 PHE 2 18.716 18.828 20.591 14 HE1 PHE 2 HE1 PHE 2 15.919 16.758 24.129 15 HE2 PHE 2 HE2 PHE 2 16.580 17.727 19.983 16 HZ PHE 2 HZ PHE 2 15.137 16.720 21.744 17 H CYS 3 H CYS 3 22.713 19.970 21.727 18 HA CYS 3 HA CYS 3 24.442 20.473 24.055 19 HB2 CYS 3 HB2 CYS 3 25.772 21.783 22.582 20 HB3 CYS 3 HB3 CYS 3 25.346 20.283 21.766 21 H ASN 4 H ASN 4 24.583 22.494 25.176 22 HA ASN 4 HA ASN 4 22.093 24.132 25.103 23 HB2 ASN 4 HB2 ASN 4 24.365 24.043 27.115 24 HB3 ASN 4 HB3 ASN 4 22.887 24.991 27.272 25 HD21 ASN 4 HD21 ASN 4 22.806 21.384 28.773 26 HD22 ASN 4 HD22 ASN 4 24.149 22.519 28.692 27 H LEU 5 H LEU 5 23.132 24.741 22.838 28 HA LEU 5 HA LEU 5 25.438 26.257 22.616 29 HB2 LEU 5 HB2 LEU 5 24.251 25.219 20.778 30 HB3 LEU 5 HB3 LEU 5 22.924 26.343 20.914 31 HG LEU 5 HG LEU 5 24.516 26.649 19.002 32 HD11 LEU 5 HD11 LEU 5 24.450 29.030 18.950 33 HD12 LEU 5 HD12 LEU 5 22.974 28.453 19.740 34 HD13 LEU 5 HD13 LEU 5 24.296 29.150 20.704 35 HD21 LEU 5 HD21 LEU 5 26.412 27.875 21.034 36 HD22 LEU 5 HD22 LEU 5 26.646 26.304 20.250 37 HD23 LEU 5 HD23 LEU 5 26.617 27.788 19.281 38 H ARG 6 H ARG 6 22.147 27.741 23.094 39 HA ARG 6 HA ARG 6 23.262 30.405 23.063 40 HB2 ARG 6 HB2 ARG 6 20.927 29.729 22.450 41 HB3 ARG 6 HB3 ARG 6 20.593 29.507 24.170 42 HG2 ARG 6 HG2 ARG 6 21.045 31.886 24.586 43 HG3 ARG 6 HG3 ARG 6 21.523 32.119 22.897 44 HD2 ARG 6 HD2 ARG 6 19.290 32.970 23.216 45 HD3 ARG 6 HD3 ARG 6 19.210 31.536 22.185 46 HE ARG 6 HE ARG 6 18.612 30.255 24.325 47 HH11 ARG 6 HH11 ARG 6 17.575 33.688 24.122 48 HH12 ARG 6 HH12 ARG 6 16.497 33.392 25.470 49 HH21 ARG 6 HH21 ARG 6 17.134 30.136 25.875 50 HH22 ARG 6 HH22 ARG 6 16.252 31.585 26.372 51 H ARG 7 H ARG 7 22.638 28.212 25.819 52 HA ARG 7 HA ARG 7 23.468 30.195 27.828 53 HB2 ARG 7 HB2 ARG 7 23.340 27.150 27.960 54 HB3 ARG 7 HB3 ARG 7 23.874 28.178 29.290 55 HG2 ARG 7 HG2 ARG 7 21.656 29.419 29.114 56 HG3 ARG 7 HG3 ARG 7 21.113 28.118 28.034 57 HD2 ARG 7 HD2 ARG 7 21.558 26.461 29.841 58 HD3 ARG 7 HD3 ARG 7 22.129 27.773 30.895 59 HE ARG 7 HE ARG 7 19.452 28.248 29.843 60 HH11 ARG 7 HH11 ARG 7 21.108 26.834 32.646 61 HH12 ARG 7 HH12 ARG 7 19.591 26.911 33.542 62 HH21 ARG 7 HH21 ARG 7 17.691 28.159 31.073 63 HH22 ARG 7 HH22 ARG 7 17.796 27.539 32.725 64 H CYS 8 H CYS 8 25.187 27.756 25.953 65 HA CYS 8 HA CYS 8 27.808 28.119 27.102 66 HB2 CYS 8 HB2 CYS 8 27.046 26.154 25.833 67 HB3 CYS 8 HB3 CYS 8 26.714 27.155 24.438 68 H GLU 9 H GLU 9 26.251 29.680 24.237 69 HA GLU 9 HA GLU 9 28.381 31.335 23.495 70 HB2 GLU 9 HB2 GLU 9 25.386 31.781 23.483 71 HB3 GLU 9 HB3 GLU 9 26.473 33.024 22.892 72 HG2 GLU 9 HG2 GLU 9 26.714 30.218 21.778 73 HG3 GLU 9 HG3 GLU 9 25.393 31.266 21.260 74 H LEU 10 H LEU 10 26.104 31.924 26.255 75 HA LEU 10 HA LEU 10 27.555 34.411 26.874 76 HB2 LEU 10 HB2 LEU 10 25.954 34.899 28.536 77 HB3 LEU 10 HB3 LEU 10 25.202 34.510 27.002 78 HG LEU 10 HG LEU 10 24.593 32.239 27.960 79 HD11 LEU 10 HD11 LEU 10 25.422 33.596 30.575 80 HD12 LEU 10 HD12 LEU 10 24.375 32.170 30.474 81 HD13 LEU 10 HD13 LEU 10 26.044 32.058 29.949 82 HD21 LEU 10 HD21 LEU 10 23.514 34.682 29.434 83 HD22 LEU 10 HD22 LEU 10 23.032 34.199 27.804 84 HD23 LEU 10 HD23 LEU 10 22.669 33.143 29.174 85 H SER 11 H SER 11 27.583 31.105 28.032 86 HA SER 11 HA SER 11 29.011 31.731 30.497 87 HB2 SER 11 HB2 SER 11 28.666 29.057 29.095 88 HB3 SER 11 HB3 SER 11 29.294 29.317 30.736 89 HG SER 11 HG SER 11 26.703 29.757 29.708 90 H CYS 12 H CYS 12 29.987 30.651 27.221 91 HA CYS 12 HA CYS 12 32.838 30.656 27.809 92 HB2 CYS 12 HB2 CYS 12 31.344 31.011 25.185 93 HB3 CYS 12 HB3 CYS 12 33.071 30.720 25.352 94 H ARG 13 H ARG 13 30.460 33.113 26.768 95 HA ARG 13 HA ARG 13 32.364 35.193 26.145 96 HB2 ARG 13 HB2 ARG 13 29.990 35.252 25.438 97 HB3 ARG 13 HB3 ARG 13 29.496 35.452 27.122 98 HG2 ARG 13 HG2 ARG 13 30.839 37.664 27.082 99 HG3 ARG 13 HG3 ARG 13 31.018 37.401 25.342 100 HD2 ARG 13 HD2 ARG 13 29.153 38.886 25.711 101 HD3 ARG 13 HD3 ARG 13 28.496 37.326 25.181 102 HE ARG 13 HE ARG 13 28.658 37.467 28.077 103 HH11 ARG 13 HH11 ARG 13 26.566 38.652 25.484 104 HH12 ARG 13 HH12 ARG 13 25.153 38.472 26.504 105 HH21 ARG 13 HH21 ARG 13 26.949 37.531 29.294 106 HH22 ARG 13 HH22 ARG 13 25.384 38.057 28.667 107 H SER 14 H SER 14 31.075 34.078 29.251 108 HA SER 14 HA SER 14 31.883 36.268 30.808 109 HB2 SER 14 HB2 SER 14 31.756 34.911 32.707 110 HB3 SER 14 HB3 SER 14 30.567 34.231 31.590 111 HG SER 14 HG SER 14 31.912 32.500 31.212 112 H LEU 15 H LEU 15 33.849 33.608 29.541 113 HA LEU 15 HA LEU 15 36.371 34.646 30.688 114 HB2 LEU 15 HB2 LEU 15 35.852 32.345 28.765 115 HB3 LEU 15 HB3 LEU 15 37.339 32.656 29.648 116 HG LEU 15 HG LEU 15 34.669 31.809 30.864 117 HD11 LEU 15 HD11 LEU 15 37.296 30.302 30.496 118 HD12 LEU 15 HD12 LEU 15 35.843 29.695 31.318 119 HD13 LEU 15 HD13 LEU 15 35.792 30.034 29.585 120 HD21 LEU 15 HD21 LEU 15 37.393 32.152 32.207 121 HD22 LEU 15 HD22 LEU 15 35.969 33.189 32.468 122 HD23 LEU 15 HD23 LEU 15 35.923 31.494 32.958 123 H GLY 16 H GLY 16 34.493 35.272 27.955 124 HA2 GLY 16 HA2 GLY 16 34.903 36.874 26.279 125 HA3 GLY 16 HA3 GLY 16 36.635 36.626 26.432 126 H LEU 17 H LEU 17 35.671 33.551 26.334 127 HA LEU 17 HA LEU 17 36.346 33.129 23.562 128 HB2 LEU 17 HB2 LEU 17 35.456 31.346 25.869 129 HB3 LEU 17 HB3 LEU 17 35.682 30.742 24.228 130 HG LEU 17 HG LEU 17 38.019 31.642 24.267 131 HD11 LEU 17 HD11 LEU 17 39.127 31.853 26.495 132 HD12 LEU 17 HD12 LEU 17 38.021 33.175 26.179 133 HD13 LEU 17 HD13 LEU 17 37.534 31.843 27.267 134 HD21 LEU 17 HD21 LEU 17 37.570 29.262 24.553 135 HD22 LEU 17 HD22 LEU 17 38.926 29.743 25.561 136 HD23 LEU 17 HD23 LEU 17 37.336 29.490 26.309 137 H LEU 18 H LEU 18 35.061 32.052 21.999 138 HA LEU 18 HA LEU 18 32.203 32.811 21.956 139 HB2 LEU 18 HB2 LEU 18 34.009 31.542 19.851 140 HB3 LEU 18 HB3 LEU 18 32.289 31.878 19.663 141 HG LEU 18 HG LEU 18 32.865 34.352 20.182 142 HD11 LEU 18 HD11 LEU 18 35.196 34.174 20.910 143 HD12 LEU 18 HD12 LEU 18 35.632 33.315 19.414 144 HD13 LEU 18 HD13 LEU 18 35.138 35.027 19.375 145 HD21 LEU 18 HD21 LEU 18 33.853 33.048 17.616 146 HD22 LEU 18 HD22 LEU 18 32.171 33.507 17.977 147 HD23 LEU 18 HD23 LEU 18 33.412 34.759 17.822 148 H GLY 19 H GLY 19 30.538 31.317 21.898 149 HA2 GLY 19 HA2 GLY 19 31.125 28.586 22.939 150 HA3 GLY 19 HA3 GLY 19 29.543 29.361 22.867 151 H LYS 20 H LYS 20 31.064 26.819 21.667 152 HA LYS 20 HA LYS 20 29.659 26.894 19.020 153 HB2 LYS 20 HB2 LYS 20 32.525 25.990 19.527 154 HB3 LYS 20 HB3 LYS 20 31.635 25.656 18.045 155 HG2 LYS 20 HG2 LYS 20 32.354 28.433 19.081 156 HG3 LYS 20 HG3 LYS 20 33.157 27.553 17.777 157 HD2 LYS 20 HD2 LYS 20 31.068 27.554 16.447 158 HD3 LYS 20 HD3 LYS 20 30.254 28.460 17.734 159 HE2 LYS 20 HE2 LYS 20 32.097 30.225 17.477 160 HE3 LYS 20 HE3 LYS 20 32.538 29.379 15.981 161 HZ1 LYS 20 HZ1 LYS 20 30.125 29.672 15.349 162 HZ2 LYS 20 HZ2 LYS 20 29.947 30.658 16.640 163 HZ3 LYS 20 HZ3 LYS 20 30.980 31.068 15.426 164 H CYS 21 H CYS 21 28.422 25.283 18.599 165 HA CYS 21 HA CYS 21 28.328 22.939 20.423 166 HB2 CYS 21 HB2 CYS 21 26.248 24.099 20.041 167 HB3 CYS 21 HB3 CYS 21 26.433 23.968 18.292 168 H ILE 22 H ILE 22 29.115 21.007 19.870 169 HA ILE 22 HA ILE 22 30.063 20.578 17.059 170 HB ILE 22 HB ILE 22 30.884 19.329 19.692 171 HG12 ILE 22 HG12 ILE 22 32.210 21.284 17.758 172 HG13 ILE 22 HG13 ILE 22 31.658 21.628 19.397 173 HG21 ILE 22 HG21 ILE 22 31.024 17.642 17.857 174 HG22 ILE 22 HG22 ILE 22 31.990 18.789 16.902 175 HG23 ILE 22 HG23 ILE 22 32.609 18.115 18.425 176 HD11 ILE 22 HD11 ILE 22 34.018 21.455 19.479 177 HD12 ILE 22 HD12 ILE 22 33.377 19.989 20.250 178 HD13 ILE 22 HD13 ILE 22 34.020 19.930 18.591 179 H GLY 23 H GLY 23 27.770 19.379 19.386 180 HA2 GLY 23 HA2 GLY 23 25.873 18.554 17.628 181 HA3 GLY 23 HA3 GLY 23 26.863 17.101 17.788 182 H GLU 24 H GLU 24 27.422 16.555 20.154 183 HA GLU 24 HA GLU 24 24.926 16.358 21.715 184 HB2 GLU 24 HB2 GLU 24 27.745 15.333 22.249 185 HB3 GLU 24 HB3 GLU 24 26.316 14.953 23.202 186 HG2 GLU 24 HG2 GLU 24 26.772 14.176 20.293 187 HG3 GLU 24 HG3 GLU 24 26.942 13.116 21.683 188 H GLU 25 H GLU 25 27.895 18.215 21.783 189 HA GLU 25 HA GLU 25 27.073 19.602 24.271 190 HB2 GLU 25 HB2 GLU 25 29.025 17.536 24.071 191 HB3 GLU 25 HB3 GLU 25 29.945 19.021 24.213 192 HG2 GLU 25 HG2 GLU 25 27.611 18.448 26.091 193 HG3 GLU 25 HG3 GLU 25 29.166 17.687 26.345 194 H CYS 26 H CYS 26 28.610 21.459 24.801 195 HA CYS 26 HA CYS 26 29.398 22.871 22.304 196 HB2 CYS 26 HB2 CYS 26 27.182 23.579 23.009 197 HB3 CYS 26 HB3 CYS 26 27.791 24.001 24.606 198 H LYS 27 H LYS 27 31.354 23.601 22.272 199 HA LYS 27 HA LYS 27 33.032 23.680 24.750 200 HB2 LYS 27 HB2 LYS 27 33.876 23.753 21.830 201 HB3 LYS 27 HB3 LYS 27 34.931 23.560 23.221 202 HG2 LYS 27 HG2 LYS 27 32.903 21.514 22.211 203 HG3 LYS 27 HG3 LYS 27 34.640 21.504 21.966 204 HD2 LYS 27 HD2 LYS 27 34.372 19.952 23.619 205 HD3 LYS 27 HD3 LYS 27 34.877 21.377 24.533 206 HE2 LYS 27 HE2 LYS 27 32.570 21.770 25.263 207 HE3 LYS 27 HE3 LYS 27 31.972 20.525 24.150 208 HZ1 LYS 27 HZ1 LYS 27 33.758 20.000 26.462 209 HZ2 LYS 27 HZ2 LYS 27 32.131 19.706 26.403 210 HZ3 LYS 27 HZ3 LYS 27 33.164 18.865 25.437 211 H CYS 28 H CYS 28 34.713 25.351 24.785 212 HA CYS 28 HA CYS 28 33.804 28.013 23.759 213 HB2 CYS 28 HB2 CYS 28 35.585 27.420 26.132 214 HB3 CYS 28 HB3 CYS 28 35.056 29.000 25.566 215 H VAL 29 H VAL 29 35.109 29.059 22.382 216 HA VAL 29 HA VAL 29 37.941 28.180 22.028 217 HB VAL 29 HB VAL 29 37.509 28.485 19.512 218 HG11 VAL 29 HG11 VAL 29 36.350 26.046 20.914 219 HG12 VAL 29 HG12 VAL 29 36.880 26.137 19.224 220 HG13 VAL 29 HG13 VAL 29 38.064 26.326 20.521 221 HG21 VAL 29 HG21 VAL 29 35.172 29.387 19.732 222 HG22 VAL 29 HG22 VAL 29 35.302 27.969 18.675 223 HG23 VAL 29 HG23 VAL 29 34.651 27.788 20.320 224 HA PRO 30 HA PRO 30 38.796 32.502 21.827 225 HB2 PRO 30 HB2 PRO 30 41.192 32.594 20.528 226 HB3 PRO 30 HB3 PRO 30 40.994 31.790 22.116 227 HG2 PRO 30 HG2 PRO 30 40.934 30.530 19.371 228 HG3 PRO 30 HG3 PRO 30 41.936 30.027 20.777 229 HD2 PRO 30 HD2 PRO 30 39.564 28.840 20.160 230 HD3 PRO 30 HD3 PRO 30 40.049 29.081 21.851 231 H TYR 31 H TYR 31 39.631 34.238 20.135 232 HA TYR 31 HA TYR 31 37.582 34.725 18.282 233 HB2 TYR 31 HB2 TYR 31 40.397 35.817 18.121 234 HB3 TYR 31 HB3 TYR 31 38.940 36.561 17.482 235 HD1 TYR 31 HD1 TYR 31 37.259 35.985 20.199 236 HD2 TYR 31 HD2 TYR 31 41.063 37.799 19.261 237 HE1 TYR 31 HE1 TYR 31 37.118 37.370 22.258 238 HE2 TYR 31 HE2 TYR 31 40.915 39.178 21.306 239 HH TYR 31 HH TYR 31 39.702 39.717 23.130 240 H ASN 32 H ASN 32 37.453 34.785 16.002 241 HA ASN 32 HA ASN 32 38.349 32.256 14.875 242 HB2 ASN 32 HB2 ASN 32 36.578 34.501 13.846 243 HB3 ASN 32 HB3 ASN 32 36.967 33.090 12.884 244 HD21 ASN 32 HD21 ASN 32 33.824 32.781 15.152 245 HD22 ASN 32 HD22 ASN 32 34.585 34.306 14.729 Start of MODEL 19 1 H1 ALA 1 H1 ALA 1 18.875 14.840 21.865 2 H2 ALA 1 H2 ALA 1 19.208 13.830 23.098 3 H3 ALA 1 H3 ALA 1 20.356 14.156 21.930 4 HA ALA 1 HA ALA 1 19.228 16.064 23.851 5 HB1 ALA 1 HB1 ALA 1 20.745 14.470 24.958 6 HB2 ALA 1 HB2 ALA 1 22.017 14.870 23.782 7 HB3 ALA 1 HB3 ALA 1 21.441 16.104 24.915 8 H PHE 2 H PHE 2 19.007 17.993 22.949 9 HA PHE 2 HA PHE 2 20.499 18.857 20.607 10 HB2 PHE 2 HB2 PHE 2 18.854 20.587 22.458 11 HB3 PHE 2 HB3 PHE 2 19.179 20.831 20.760 12 HD1 PHE 2 HD1 PHE 2 18.218 19.009 19.098 13 HD2 PHE 2 HD2 PHE 2 16.871 19.528 23.164 14 HE1 PHE 2 HE1 PHE 2 16.103 17.821 18.553 15 HE2 PHE 2 HE2 PHE 2 14.756 18.356 22.620 16 HZ PHE 2 HZ PHE 2 14.363 17.510 20.309 17 H CYS 3 H CYS 3 21.870 20.781 20.499 18 HA CYS 3 HA CYS 3 23.865 21.006 22.579 19 HB2 CYS 3 HB2 CYS 3 23.115 22.783 20.244 20 HB3 CYS 3 HB3 CYS 3 24.578 22.955 21.207 21 H ASN 4 H ASN 4 23.987 22.360 24.340 22 HA ASN 4 HA ASN 4 21.805 24.218 25.004 23 HB2 ASN 4 HB2 ASN 4 24.411 23.582 26.428 24 HB3 ASN 4 HB3 ASN 4 23.137 24.610 27.063 25 HD21 ASN 4 HD21 ASN 4 22.945 21.004 28.327 26 HD22 ASN 4 HD22 ASN 4 24.383 21.898 27.874 27 H LEU 5 H LEU 5 22.732 25.131 22.611 28 HA LEU 5 HA LEU 5 25.131 26.615 22.686 29 HB2 LEU 5 HB2 LEU 5 24.046 25.704 20.651 30 HB3 LEU 5 HB3 LEU 5 22.789 26.933 20.791 31 HG LEU 5 HG LEU 5 24.539 28.713 20.501 32 HD11 LEU 5 HD11 LEU 5 26.558 27.529 21.247 33 HD12 LEU 5 HD12 LEU 5 26.373 26.342 19.932 34 HD13 LEU 5 HD13 LEU 5 26.746 28.042 19.571 35 HD21 LEU 5 HD21 LEU 5 23.229 27.888 18.591 36 HD22 LEU 5 HD22 LEU 5 24.865 28.338 18.099 37 HD23 LEU 5 HD23 LEU 5 24.440 26.622 18.294 38 H ARG 6 H ARG 6 21.795 27.832 23.226 39 HA ARG 6 HA ARG 6 22.494 30.604 23.464 40 HB2 ARG 6 HB2 ARG 6 20.191 29.789 23.144 41 HB3 ARG 6 HB3 ARG 6 20.189 29.086 24.765 42 HG2 ARG 6 HG2 ARG 6 20.390 31.290 25.797 43 HG3 ARG 6 HG3 ARG 6 20.643 32.043 24.221 44 HD2 ARG 6 HD2 ARG 6 18.436 32.515 24.892 45 HD3 ARG 6 HD3 ARG 6 18.334 31.366 23.554 46 HE ARG 6 HE ARG 6 18.243 29.722 25.767 47 HH11 ARG 6 HH11 ARG 6 16.289 32.603 25.037 48 HH12 ARG 6 HH12 ARG 6 14.908 31.902 25.849 49 HH21 ARG 6 HH21 ARG 6 16.574 29.061 26.833 50 HH22 ARG 6 HH22 ARG 6 15.088 30.009 26.967 51 H ARG 7 H ARG 7 22.656 27.974 25.837 52 HA ARG 7 HA ARG 7 23.529 29.746 28.028 53 HB2 ARG 7 HB2 ARG 7 22.465 27.377 28.229 54 HB3 ARG 7 HB3 ARG 7 24.082 26.763 27.848 55 HG2 ARG 7 HG2 ARG 7 24.990 28.168 29.778 56 HG3 ARG 7 HG3 ARG 7 23.310 28.556 30.187 57 HD2 ARG 7 HD2 ARG 7 24.577 25.798 30.120 58 HD3 ARG 7 HD3 ARG 7 24.184 26.727 31.574 59 HE ARG 7 HE ARG 7 21.740 26.512 30.239 60 HH11 ARG 7 HH11 ARG 7 24.021 24.180 31.531 61 HH12 ARG 7 HH12 ARG 7 22.829 22.898 31.533 62 HH21 ARG 7 HH21 ARG 7 20.275 24.986 30.505 63 HH22 ARG 7 HH22 ARG 7 20.694 23.393 31.142 64 H CYS 8 H CYS 8 25.140 27.712 25.628 65 HA CYS 8 HA CYS 8 27.788 28.011 26.570 66 HB2 CYS 8 HB2 CYS 8 26.750 26.319 24.941 67 HB3 CYS 8 HB3 CYS 8 26.885 27.569 23.704 68 H GLU 9 H GLU 9 26.059 30.053 24.118 69 HA GLU 9 HA GLU 9 28.319 31.663 23.544 70 HB2 GLU 9 HB2 GLU 9 26.854 33.292 22.623 71 HB3 GLU 9 HB3 GLU 9 26.266 31.683 22.193 72 HG2 GLU 9 HG2 GLU 9 24.475 31.838 23.802 73 HG3 GLU 9 HG3 GLU 9 25.112 33.341 24.469 74 H LEU 10 H LEU 10 26.159 31.857 26.382 75 HA LEU 10 HA LEU 10 27.483 34.377 27.203 76 HB2 LEU 10 HB2 LEU 10 25.804 34.781 28.647 77 HB3 LEU 10 HB3 LEU 10 24.989 33.917 27.375 78 HG LEU 10 HG LEU 10 25.394 31.818 29.019 79 HD11 LEU 10 HD11 LEU 10 25.297 34.213 30.906 80 HD12 LEU 10 HD12 LEU 10 25.109 32.509 31.378 81 HD13 LEU 10 HD13 LEU 10 26.651 33.083 30.752 82 HD21 LEU 10 HD21 LEU 10 23.208 32.614 28.253 83 HD22 LEU 10 HD22 LEU 10 23.169 32.248 29.983 84 HD23 LEU 10 HD23 LEU 10 23.256 33.939 29.436 85 H SER 11 H SER 11 27.557 30.959 28.073 86 HA SER 11 HA SER 11 29.138 31.396 30.480 87 HB2 SER 11 HB2 SER 11 27.522 29.523 30.157 88 HB3 SER 11 HB3 SER 11 28.649 28.792 29.010 89 HG SER 11 HG SER 11 29.838 28.151 30.609 90 H CYS 12 H CYS 12 29.969 30.447 27.089 91 HA CYS 12 HA CYS 12 32.825 30.317 27.657 92 HB2 CYS 12 HB2 CYS 12 31.277 30.795 25.077 93 HB3 CYS 12 HB3 CYS 12 33.014 30.521 25.175 94 H ARG 13 H ARG 13 30.534 32.903 26.928 95 HA ARG 13 HA ARG 13 32.538 34.969 26.459 96 HB2 ARG 13 HB2 ARG 13 30.300 35.179 25.606 97 HB3 ARG 13 HB3 ARG 13 29.612 35.178 27.237 98 HG2 ARG 13 HG2 ARG 13 30.614 37.366 27.685 99 HG3 ARG 13 HG3 ARG 13 31.519 37.295 26.159 100 HD2 ARG 13 HD2 ARG 13 29.595 38.735 25.865 101 HD3 ARG 13 HD3 ARG 13 29.395 37.276 24.898 102 HE ARG 13 HE ARG 13 28.085 37.599 27.592 103 HH11 ARG 13 HH11 ARG 13 27.575 36.862 24.135 104 HH12 ARG 13 HH12 ARG 13 25.858 36.704 24.432 105 HH21 ARG 13 HH21 ARG 13 26.067 37.231 27.812 106 HH22 ARG 13 HH22 ARG 13 25.025 36.716 26.493 107 H SER 14 H SER 14 31.500 33.392 29.375 108 HA SER 14 HA SER 14 32.179 35.345 31.301 109 HB2 SER 14 HB2 SER 14 31.145 33.140 31.773 110 HB3 SER 14 HB3 SER 14 32.696 32.350 31.427 111 HG SER 14 HG SER 14 32.087 32.869 33.675 112 H LEU 15 H LEU 15 34.288 33.034 29.568 113 HA LEU 15 HA LEU 15 36.792 34.226 30.563 114 HB2 LEU 15 HB2 LEU 15 36.293 32.193 28.349 115 HB3 LEU 15 HB3 LEU 15 37.836 32.552 29.113 116 HG LEU 15 HG LEU 15 35.433 31.221 30.444 117 HD11 LEU 15 HD11 LEU 15 38.162 30.127 29.645 118 HD12 LEU 15 HD12 LEU 15 36.868 29.236 30.473 119 HD13 LEU 15 HD13 LEU 15 36.624 29.801 28.814 120 HD21 LEU 15 HD21 LEU 15 36.981 30.796 32.336 121 HD22 LEU 15 HD22 LEU 15 38.214 31.812 31.560 122 HD23 LEU 15 HD23 LEU 15 36.677 32.520 32.121 123 H GLY 16 H GLY 16 34.612 34.857 27.995 124 HA2 GLY 16 HA2 GLY 16 34.731 36.741 26.541 125 HA3 GLY 16 HA3 GLY 16 36.492 36.690 26.598 126 H LEU 17 H LEU 17 35.317 33.528 26.146 127 HA LEU 17 HA LEU 17 36.229 33.506 23.351 128 HB2 LEU 17 HB2 LEU 17 35.229 31.243 25.123 129 HB3 LEU 17 HB3 LEU 17 35.956 31.066 23.534 130 HG LEU 17 HG LEU 17 37.251 31.819 26.125 131 HD11 LEU 17 HD11 LEU 17 37.892 29.711 24.038 132 HD12 LEU 17 HD12 LEU 17 38.818 30.003 25.521 133 HD13 LEU 17 HD13 LEU 17 37.157 29.450 25.640 134 HD21 LEU 17 HD21 LEU 17 38.220 33.433 24.515 135 HD22 LEU 17 HD22 LEU 17 39.404 32.182 24.881 136 HD23 LEU 17 HD23 LEU 17 38.502 32.115 23.353 137 H LEU 18 H LEU 18 35.081 32.265 21.735 138 HA LEU 18 HA LEU 18 32.232 32.988 21.474 139 HB2 LEU 18 HB2 LEU 18 34.166 31.488 19.674 140 HB3 LEU 18 HB3 LEU 18 32.503 31.880 19.244 141 HG LEU 18 HG LEU 18 34.642 33.970 19.880 142 HD11 LEU 18 HD11 LEU 18 35.237 32.711 17.863 143 HD12 LEU 18 HD12 LEU 18 33.616 32.998 17.189 144 HD13 LEU 18 HD13 LEU 18 34.730 34.358 17.458 145 HD21 LEU 18 HD21 LEU 18 31.874 34.196 18.618 146 HD22 LEU 18 HD22 LEU 18 32.360 34.818 20.212 147 HD23 LEU 18 HD23 LEU 18 33.062 35.510 18.746 148 H GLY 19 H GLY 19 30.560 31.512 21.446 149 HA2 GLY 19 HA2 GLY 19 31.068 28.858 22.736 150 HA3 GLY 19 HA3 GLY 19 29.544 29.738 22.750 151 H LYS 20 H LYS 20 30.684 27.016 21.699 152 HA LYS 20 HA LYS 20 29.124 26.859 19.173 153 HB2 LYS 20 HB2 LYS 20 31.752 27.391 19.010 154 HB3 LYS 20 HB3 LYS 20 31.912 25.670 19.348 155 HG2 LYS 20 HG2 LYS 20 31.954 25.820 16.993 156 HG3 LYS 20 HG3 LYS 20 30.277 25.369 17.320 157 HD2 LYS 20 HD2 LYS 20 30.069 27.123 15.789 158 HD3 LYS 20 HD3 LYS 20 29.825 27.930 17.361 159 HE2 LYS 20 HE2 LYS 20 32.126 28.747 17.359 160 HE3 LYS 20 HE3 LYS 20 32.495 27.810 15.896 161 HZ1 LYS 20 HZ1 LYS 20 30.949 29.134 14.679 162 HZ2 LYS 20 HZ2 LYS 20 30.523 30.016 16.024 163 HZ3 LYS 20 HZ3 LYS 20 32.046 30.124 15.390 164 H CYS 21 H CYS 21 28.914 24.498 18.436 165 HA CYS 21 HA CYS 21 29.145 22.577 20.710 166 HB2 CYS 21 HB2 CYS 21 26.848 23.500 20.603 167 HB3 CYS 21 HB3 CYS 21 26.731 22.944 18.929 168 H ILE 22 H ILE 22 30.384 20.960 20.155 169 HA ILE 22 HA ILE 22 31.010 20.278 17.426 170 HB ILE 22 HB ILE 22 32.553 20.150 19.296 171 HG12 ILE 22 HG12 ILE 22 32.297 17.367 18.096 172 HG13 ILE 22 HG13 ILE 22 32.803 18.775 17.161 173 HG21 ILE 22 HG21 ILE 22 31.009 19.212 21.050 174 HG22 ILE 22 HG22 ILE 22 31.110 17.639 20.224 175 HG23 ILE 22 HG23 ILE 22 32.549 18.368 20.944 176 HD11 ILE 22 HD11 ILE 22 34.254 17.646 19.585 177 HD12 ILE 22 HD12 ILE 22 34.769 17.579 17.895 178 HD13 ILE 22 HD13 ILE 22 34.706 19.141 18.731 179 H GLY 23 H GLY 23 28.542 19.145 19.537 180 HA2 GLY 23 HA2 GLY 23 27.137 17.746 17.465 181 HA3 GLY 23 HA3 GLY 23 27.924 16.572 18.524 182 H GLU 24 H GLU 24 27.605 17.177 20.976 183 HA GLU 24 HA GLU 24 24.810 18.086 21.560 184 HB2 GLU 24 HB2 GLU 24 26.196 15.604 22.674 185 HB3 GLU 24 HB3 GLU 24 24.570 16.148 23.089 186 HG2 GLU 24 HG2 GLU 24 23.768 15.654 20.845 187 HG3 GLU 24 HG3 GLU 24 25.393 15.325 20.270 188 H GLU 25 H GLU 25 27.992 18.700 22.122 189 HA GLU 25 HA GLU 25 27.687 19.470 24.989 190 HB2 GLU 25 HB2 GLU 25 30.051 18.298 23.495 191 HB3 GLU 25 HB3 GLU 25 30.134 18.946 25.146 192 HG2 GLU 25 HG2 GLU 25 28.787 17.234 26.039 193 HG3 GLU 25 HG3 GLU 25 28.138 16.753 24.477 194 H CYS 26 H CYS 26 28.343 21.468 25.625 195 HA CYS 26 HA CYS 26 28.908 23.514 23.652 196 HB2 CYS 26 HB2 CYS 26 27.650 24.098 25.597 197 HB3 CYS 26 HB3 CYS 26 28.868 23.416 26.673 198 H LYS 27 H LYS 27 30.730 24.105 22.802 199 HA LYS 27 HA LYS 27 33.378 23.620 24.090 200 HB2 LYS 27 HB2 LYS 27 32.627 24.080 21.171 201 HB3 LYS 27 HB3 LYS 27 34.242 23.775 21.772 202 HG2 LYS 27 HG2 LYS 27 31.923 21.770 21.827 203 HG3 LYS 27 HG3 LYS 27 33.202 21.871 20.634 204 HD2 LYS 27 HD2 LYS 27 34.092 20.240 21.876 205 HD3 LYS 27 HD3 LYS 27 34.803 21.627 22.712 206 HE2 LYS 27 HE2 LYS 27 33.219 21.422 24.531 207 HE3 LYS 27 HE3 LYS 27 32.247 20.249 23.631 208 HZ1 LYS 27 HZ1 LYS 27 35.040 19.742 24.531 209 HZ2 LYS 27 HZ2 LYS 27 33.681 19.157 25.278 210 HZ3 LYS 27 HZ3 LYS 27 34.040 18.659 23.787 211 H CYS 28 H CYS 28 34.589 25.359 24.539 212 HA CYS 28 HA CYS 28 33.772 28.104 23.644 213 HB2 CYS 28 HB2 CYS 28 35.614 27.317 25.898 214 HB3 CYS 28 HB3 CYS 28 35.054 28.936 25.454 215 H VAL 29 H VAL 29 35.041 29.172 22.217 216 HA VAL 29 HA VAL 29 37.711 28.045 21.556 217 HB VAL 29 HB VAL 29 37.049 28.185 19.103 218 HG11 VAL 29 HG11 VAL 29 35.693 26.015 20.728 219 HG12 VAL 29 HG12 VAL 29 36.220 25.928 19.039 220 HG13 VAL 29 HG13 VAL 29 37.427 26.064 20.332 221 HG21 VAL 29 HG21 VAL 29 34.221 27.947 20.214 222 HG22 VAL 29 HG22 VAL 29 34.878 29.371 19.374 223 HG23 VAL 29 HG23 VAL 29 34.714 27.831 18.513 224 HA PRO 30 HA PRO 30 38.896 32.213 20.948 225 HB2 PRO 30 HB2 PRO 30 41.211 31.961 19.534 226 HB3 PRO 30 HB3 PRO 30 41.038 31.394 21.222 227 HG2 PRO 30 HG2 PRO 30 40.874 29.790 18.664 228 HG3 PRO 30 HG3 PRO 30 41.745 29.386 20.174 229 HD2 PRO 30 HD2 PRO 30 39.246 28.411 19.539 230 HD3 PRO 30 HD3 PRO 30 39.786 28.666 21.220 231 H TYR 31 H TYR 31 39.475 33.871 19.334 232 HA TYR 31 HA TYR 31 37.535 33.941 17.186 233 HB2 TYR 31 HB2 TYR 31 39.800 35.844 17.894 234 HB3 TYR 31 HB3 TYR 31 38.485 36.179 16.776 235 HD1 TYR 31 HD1 TYR 31 36.205 36.603 17.571 236 HD2 TYR 31 HD2 TYR 31 39.425 35.830 20.342 237 HE1 TYR 31 HE1 TYR 31 34.788 37.412 19.458 238 HE2 TYR 31 HE2 TYR 31 37.990 36.603 22.222 239 HH TYR 31 HH TYR 31 35.666 36.937 22.772 240 H ASN 32 H ASN 32 37.824 33.839 14.995 241 HA ASN 32 HA ASN 32 40.377 32.693 13.989 242 HB2 ASN 32 HB2 ASN 32 37.642 32.968 12.680 243 HB3 ASN 32 HB3 ASN 32 39.056 32.228 11.935 244 HD21 ASN 32 HD21 ASN 32 36.774 29.865 14.144 245 HD22 ASN 32 HD22 ASN 32 36.238 31.421 13.500 Start of MODEL 20 1 H1 ALA 1 H1 ALA 1 21.618 14.076 19.942 2 H2 ALA 1 H2 ALA 1 20.487 14.805 18.990 3 H3 ALA 1 H3 ALA 1 20.074 13.451 19.841 4 HA ALA 1 HA ALA 1 19.146 15.311 20.894 5 HB1 ALA 1 HB1 ALA 1 20.140 15.095 23.137 6 HB2 ALA 1 HB2 ALA 1 19.945 13.510 22.371 7 HB3 ALA 1 HB3 ALA 1 21.554 14.263 22.451 8 H PHE 2 H PHE 2 19.272 17.391 21.728 9 HA PHE 2 HA PHE 2 21.074 19.089 20.219 10 HB2 PHE 2 HB2 PHE 2 18.920 19.741 22.268 11 HB3 PHE 2 HB3 PHE 2 19.678 20.888 21.177 12 HD1 PHE 2 HD1 PHE 2 19.292 20.732 18.689 13 HD2 PHE 2 HD2 PHE 2 17.190 18.212 21.496 14 HE1 PHE 2 HE1 PHE 2 17.659 20.114 16.926 15 HE2 PHE 2 HE2 PHE 2 15.595 17.580 19.731 16 HZ PHE 2 HZ PHE 2 15.797 18.544 17.442 17 H CYS 3 H CYS 3 22.506 20.693 20.966 18 HA CYS 3 HA CYS 3 23.700 20.259 23.650 19 HB2 CYS 3 HB2 CYS 3 25.492 21.621 22.907 20 HB3 CYS 3 HB3 CYS 3 25.142 20.494 21.605 21 H ASN 4 H ASN 4 24.178 22.197 25.017 22 HA ASN 4 HA ASN 4 21.829 23.946 25.297 23 HB2 ASN 4 HB2 ASN 4 24.361 23.874 26.960 24 HB3 ASN 4 HB3 ASN 4 22.838 24.635 27.395 25 HD21 ASN 4 HD21 ASN 4 23.409 20.910 28.542 26 HD22 ASN 4 HD22 ASN 4 24.667 22.100 28.156 27 H LEU 5 H LEU 5 22.757 24.743 22.905 28 HA LEU 5 HA LEU 5 24.998 26.403 22.786 29 HB2 LEU 5 HB2 LEU 5 23.755 25.423 20.884 30 HB3 LEU 5 HB3 LEU 5 22.480 26.598 21.086 31 HG LEU 5 HG LEU 5 24.133 26.922 19.208 32 HD11 LEU 5 HD11 LEU 5 23.969 29.350 21.034 33 HD12 LEU 5 HD12 LEU 5 24.235 29.307 19.291 34 HD13 LEU 5 HD13 LEU 5 22.688 28.781 19.940 35 HD21 LEU 5 HD21 LEU 5 26.046 27.946 21.347 36 HD22 LEU 5 HD22 LEU 5 26.217 26.414 20.456 37 HD23 LEU 5 HD23 LEU 5 26.278 27.949 19.591 38 H ARG 6 H ARG 6 21.701 27.374 23.718 39 HA ARG 6 HA ARG 6 22.161 30.219 23.650 40 HB2 ARG 6 HB2 ARG 6 19.938 28.977 23.592 41 HB3 ARG 6 HB3 ARG 6 20.115 28.705 25.322 42 HG2 ARG 6 HG2 ARG 6 20.093 31.157 25.721 43 HG3 ARG 6 HG3 ARG 6 20.028 31.435 23.973 44 HD2 ARG 6 HD2 ARG 6 17.804 31.669 24.837 45 HD3 ARG 6 HD3 ARG 6 17.869 30.182 23.871 46 HE ARG 6 HE ARG 6 18.403 29.426 26.532 47 HH11 ARG 6 HH11 ARG 6 15.628 30.870 24.931 48 HH12 ARG 6 HH12 ARG 6 14.579 30.540 26.290 49 HH21 ARG 6 HH21 ARG 6 16.923 28.649 27.947 50 HH22 ARG 6 HH22 ARG 6 15.351 29.436 28.024 51 H ARG 7 H ARG 7 22.790 27.820 26.157 52 HA ARG 7 HA ARG 7 23.661 29.820 28.152 53 HB2 ARG 7 HB2 ARG 7 22.709 27.518 28.698 54 HB3 ARG 7 HB3 ARG 7 24.203 26.819 28.069 55 HG2 ARG 7 HG2 ARG 7 25.414 28.334 29.817 56 HG3 ARG 7 HG3 ARG 7 23.807 28.601 30.505 57 HD2 ARG 7 HD2 ARG 7 25.312 25.981 30.186 58 HD3 ARG 7 HD3 ARG 7 24.902 26.791 31.703 59 HE ARG 7 HE ARG 7 22.438 26.376 30.953 60 HH11 ARG 7 HH11 ARG 7 25.013 24.067 30.943 61 HH12 ARG 7 HH12 ARG 7 23.996 22.717 30.525 62 HH21 ARG 7 HH21 ARG 7 21.134 24.715 30.435 63 HH22 ARG 7 HH22 ARG 7 21.761 23.057 30.450 64 H CYS 8 H CYS 8 25.166 27.561 25.849 65 HA CYS 8 HA CYS 8 27.882 27.992 26.571 66 HB2 CYS 8 HB2 CYS 8 26.812 26.143 25.165 67 HB3 CYS 8 HB3 CYS 8 26.710 27.304 23.843 68 H GLU 9 H GLU 9 25.949 29.746 24.070 69 HA GLU 9 HA GLU 9 28.116 31.353 23.206 70 HB2 GLU 9 HB2 GLU 9 26.537 32.743 22.136 71 HB3 GLU 9 HB3 GLU 9 25.972 31.079 21.998 72 HG2 GLU 9 HG2 GLU 9 24.361 31.497 23.853 73 HG3 GLU 9 HG3 GLU 9 24.901 33.175 23.935 74 H LEU 10 H LEU 10 26.145 31.742 26.120 75 HA LEU 10 HA LEU 10 27.371 34.396 26.656 76 HB2 LEU 10 HB2 LEU 10 25.746 34.667 28.406 77 HB3 LEU 10 HB3 LEU 10 25.037 34.358 26.841 78 HG LEU 10 HG LEU 10 24.582 31.975 27.594 79 HD11 LEU 10 HD11 LEU 10 25.201 33.158 30.337 80 HD12 LEU 10 HD12 LEU 10 24.326 31.633 30.053 81 HD13 LEU 10 HD13 LEU 10 26.007 31.762 29.612 82 HD21 LEU 10 HD21 LEU 10 22.864 33.740 27.509 83 HD22 LEU 10 HD22 LEU 10 22.576 32.629 28.844 84 HD23 LEU 10 HD23 LEU 10 23.286 34.237 29.157 85 H SER 11 H SER 11 27.548 31.097 27.789 86 HA SER 11 HA SER 11 29.045 31.589 30.218 87 HB2 SER 11 HB2 SER 11 27.802 29.549 30.018 88 HB3 SER 11 HB3 SER 11 28.554 29.163 28.463 89 HG SER 11 HG SER 11 29.771 29.144 31.037 90 H CYS 12 H CYS 12 30.013 30.483 26.899 91 HA CYS 12 HA CYS 12 32.831 30.624 27.451 92 HB2 CYS 12 HB2 CYS 12 31.323 30.897 24.830 93 HB3 CYS 12 HB3 CYS 12 33.046 30.564 24.995 94 H ARG 13 H ARG 13 30.436 33.059 26.558 95 HA ARG 13 HA ARG 13 32.335 35.177 25.931 96 HB2 ARG 13 HB2 ARG 13 30.096 35.407 25.142 97 HB3 ARG 13 HB3 ARG 13 29.417 35.254 26.763 98 HG2 ARG 13 HG2 ARG 13 30.224 37.382 27.445 99 HG3 ARG 13 HG3 ARG 13 31.349 37.492 26.084 100 HD2 ARG 13 HD2 ARG 13 29.479 39.019 25.794 101 HD3 ARG 13 HD3 ARG 13 29.549 37.813 24.521 102 HE ARG 13 HE ARG 13 27.492 37.033 25.089 103 HH11 ARG 13 HH11 ARG 13 28.535 38.887 27.893 104 HH12 ARG 13 HH12 ARG 13 26.907 38.985 28.529 105 HH21 ARG 13 HH21 ARG 13 25.478 37.251 25.930 106 HH22 ARG 13 HH22 ARG 13 25.248 38.058 27.469 107 H SER 14 H SER 14 30.841 34.105 28.998 108 HA SER 14 HA SER 14 31.977 36.136 30.620 109 HB2 SER 14 HB2 SER 14 30.203 34.649 31.420 110 HB3 SER 14 HB3 SER 14 31.290 33.262 31.311 111 HG SER 14 HG SER 14 31.488 33.756 33.318 112 H LEU 15 H LEU 15 33.398 33.130 29.368 113 HA LEU 15 HA LEU 15 35.875 33.356 30.896 114 HB2 LEU 15 HB2 LEU 15 35.279 31.739 28.396 115 HB3 LEU 15 HB3 LEU 15 36.654 31.535 29.455 116 HG LEU 15 HG LEU 15 33.744 31.027 30.221 117 HD11 LEU 15 HD11 LEU 15 34.660 29.419 28.592 118 HD12 LEU 15 HD12 LEU 15 36.048 29.110 29.653 119 HD13 LEU 15 HD13 LEU 15 34.409 28.664 30.168 120 HD21 LEU 15 HD21 LEU 15 34.714 29.937 32.234 121 HD22 LEU 15 HD22 LEU 15 36.335 30.492 31.766 122 HD23 LEU 15 HD23 LEU 15 35.064 31.661 32.210 123 H GLY 16 H GLY 16 34.731 34.702 27.885 124 HA2 GLY 16 HA2 GLY 16 35.836 36.467 26.700 125 HA3 GLY 16 HA3 GLY 16 37.398 35.900 27.278 126 H LEU 17 H LEU 17 35.039 33.627 25.985 127 HA LEU 17 HA LEU 17 36.597 33.265 23.457 128 HB2 LEU 17 HB2 LEU 17 35.368 31.153 25.271 129 HB3 LEU 17 HB3 LEU 17 36.166 30.835 23.736 130 HG LEU 17 HG LEU 17 37.446 31.898 26.248 131 HD11 LEU 17 HD11 LEU 17 37.753 29.215 24.896 132 HD12 LEU 17 HD12 LEU 17 38.712 29.788 26.273 133 HD13 LEU 17 HD13 LEU 17 36.982 29.553 26.470 134 HD21 LEU 17 HD21 LEU 17 39.626 31.636 25.106 135 HD22 LEU 17 HD22 LEU 17 38.790 31.151 23.617 136 HD23 LEU 17 HD23 LEU 17 38.628 32.806 24.243 137 H LEU 18 H LEU 18 35.370 32.119 21.749 138 HA LEU 18 HA LEU 18 32.528 33.002 21.602 139 HB2 LEU 18 HB2 LEU 18 34.334 31.544 19.643 140 HB3 LEU 18 HB3 LEU 18 32.653 31.916 19.333 141 HG LEU 18 HG LEU 18 34.828 34.002 19.848 142 HD11 LEU 18 HD11 LEU 18 33.471 33.139 17.245 143 HD12 LEU 18 HD12 LEU 18 34.649 34.452 17.434 144 HD13 LEU 18 HD13 LEU 18 35.149 32.787 17.721 145 HD21 LEU 18 HD21 LEU 18 32.619 34.886 20.452 146 HD22 LEU 18 HD22 LEU 18 33.120 35.583 18.918 147 HD23 LEU 18 HD23 LEU 18 31.913 34.279 18.932 148 H GLY 19 H GLY 19 30.805 31.630 21.698 149 HA2 GLY 19 HA2 GLY 19 31.266 28.871 22.743 150 HA3 GLY 19 HA3 GLY 19 29.765 29.784 22.849 151 H LYS 20 H LYS 20 31.070 27.192 21.503 152 HA LYS 20 HA LYS 20 29.306 27.058 19.075 153 HB2 LYS 20 HB2 LYS 20 32.274 26.697 19.371 154 HB3 LYS 20 HB3 LYS 20 31.477 25.385 18.552 155 HG2 LYS 20 HG2 LYS 20 32.328 26.937 16.958 156 HG3 LYS 20 HG3 LYS 20 30.569 26.868 16.853 157 HD2 LYS 20 HD2 LYS 20 30.326 29.026 17.874 158 HD3 LYS 20 HD3 LYS 20 32.009 29.033 18.430 159 HE2 LYS 20 HE2 LYS 20 31.769 30.522 16.534 160 HE3 LYS 20 HE3 LYS 20 32.801 29.151 16.105 161 HZ1 LYS 20 HZ1 LYS 20 31.112 29.755 14.408 162 HZ2 LYS 20 HZ2 LYS 20 30.938 28.181 14.879 163 HZ3 LYS 20 HZ3 LYS 20 29.912 29.328 15.395 164 H CYS 21 H CYS 21 28.948 24.707 18.443 165 HA CYS 21 HA CYS 21 29.237 22.836 20.757 166 HB2 CYS 21 HB2 CYS 21 26.939 23.012 18.793 167 HB3 CYS 21 HB3 CYS 21 27.223 21.672 19.900 168 H ILE 22 H ILE 22 30.344 21.038 20.395 169 HA ILE 22 HA ILE 22 31.518 20.528 17.736 170 HB ILE 22 HB ILE 22 32.793 20.425 19.856 171 HG12 ILE 22 HG12 ILE 22 32.812 17.741 18.413 172 HG13 ILE 22 HG13 ILE 22 33.478 19.235 17.745 173 HG21 ILE 22 HG21 ILE 22 31.307 17.818 20.441 174 HG22 ILE 22 HG22 ILE 22 32.605 18.546 21.400 175 HG23 ILE 22 HG23 ILE 22 31.047 19.348 21.305 176 HD11 ILE 22 HD11 ILE 22 34.440 17.785 20.244 177 HD12 ILE 22 HD12 ILE 22 35.280 17.958 18.695 178 HD13 ILE 22 HD13 ILE 22 35.023 19.383 19.720 179 H GLY 23 H GLY 23 28.826 19.493 19.469 180 HA2 GLY 23 HA2 GLY 23 27.164 18.041 18.101 181 HA3 GLY 23 HA3 GLY 23 28.482 16.858 18.121 182 H GLU 24 H GLU 24 25.829 18.056 19.797 183 HA GLU 24 HA GLU 24 24.804 17.709 21.741 184 HB2 GLU 24 HB2 GLU 24 26.656 15.367 22.288 185 HB3 GLU 24 HB3 GLU 24 25.045 15.682 22.920 186 HG2 GLU 24 HG2 GLU 24 24.384 15.710 20.336 187 HG3 GLU 24 HG3 GLU 24 25.859 14.773 20.155 188 H GLU 25 H GLU 25 28.258 18.166 22.062 189 HA GLU 25 HA GLU 25 27.889 19.362 24.786 190 HB2 GLU 25 HB2 GLU 25 30.063 17.792 23.496 191 HB3 GLU 25 HB3 GLU 25 30.622 19.173 24.403 192 HG2 GLU 25 HG2 GLU 25 28.705 17.108 25.542 193 HG3 GLU 25 HG3 GLU 25 30.456 17.019 25.700 194 H CYS 26 H CYS 26 28.892 21.203 25.367 195 HA CYS 26 HA CYS 26 29.020 23.380 23.380 196 HB2 CYS 26 HB2 CYS 26 27.851 23.835 25.434 197 HB3 CYS 26 HB3 CYS 26 29.168 23.191 26.404 198 H LYS 27 H LYS 27 30.793 24.560 22.906 199 HA LYS 27 HA LYS 27 33.484 23.821 23.935 200 HB2 LYS 27 HB2 LYS 27 32.448 23.236 21.308 201 HB3 LYS 27 HB3 LYS 27 33.590 24.549 21.122 202 HG2 LYS 27 HG2 LYS 27 34.725 22.500 20.780 203 HG3 LYS 27 HG3 LYS 27 35.329 23.195 22.278 204 HD2 LYS 27 HD2 LYS 27 33.025 21.277 22.554 205 HD3 LYS 27 HD3 LYS 27 34.503 20.574 21.921 206 HE2 LYS 27 HE2 LYS 27 34.349 22.133 24.535 207 HE3 LYS 27 HE3 LYS 27 34.247 20.376 24.376 208 HZ1 LYS 27 HZ1 LYS 27 36.506 20.586 24.667 209 HZ2 LYS 27 HZ2 LYS 27 36.474 20.762 23.039 210 HZ3 LYS 27 HZ3 LYS 27 36.605 22.076 23.973 211 H CYS 28 H CYS 28 34.433 25.488 24.721 212 HA CYS 28 HA CYS 28 33.877 28.283 23.810 213 HB2 CYS 28 HB2 CYS 28 35.426 27.285 26.206 214 HB3 CYS 28 HB3 CYS 28 35.024 28.953 25.793 215 H VAL 29 H VAL 29 35.197 29.152 22.356 216 HA VAL 29 HA VAL 29 37.907 27.975 21.943 217 HB VAL 29 HB VAL 29 37.421 27.961 19.484 218 HG11 VAL 29 HG11 VAL 29 35.700 26.070 21.138 219 HG12 VAL 29 HG12 VAL 29 36.335 25.793 19.507 220 HG13 VAL 29 HG13 VAL 29 37.447 25.899 20.880 221 HG21 VAL 29 HG21 VAL 29 35.356 29.378 19.500 222 HG22 VAL 29 HG22 VAL 29 35.121 27.813 18.701 223 HG23 VAL 29 HG23 VAL 29 34.497 28.064 20.343 224 HA PRO 30 HA PRO 30 39.243 32.106 21.407 225 HB2 PRO 30 HB2 PRO 30 41.629 31.813 20.132 226 HB3 PRO 30 HB3 PRO 30 41.342 31.150 21.776 227 HG2 PRO 30 HG2 PRO 30 41.158 29.687 19.121 228 HG3 PRO 30 HG3 PRO 30 42.049 29.191 20.594 229 HD2 PRO 30 HD2 PRO 30 39.544 28.278 20.001 230 HD3 PRO 30 HD3 PRO 30 40.065 28.547 21.682 231 H TYR 31 H TYR 31 40.047 33.724 19.728 232 HA TYR 31 HA TYR 31 38.330 33.631 17.353 233 HB2 TYR 31 HB2 TYR 31 40.285 35.707 18.397 234 HB3 TYR 31 HB3 TYR 31 39.374 35.875 16.902 235 HD1 TYR 31 HD1 TYR 31 39.003 35.592 20.613 236 HD2 TYR 31 HD2 TYR 31 37.050 36.466 16.877 237 HE1 TYR 31 HE1 TYR 31 37.002 36.400 21.840 238 HE2 TYR 31 HE2 TYR 31 35.075 37.320 18.115 239 HH TYR 31 HH TYR 31 34.172 37.789 20.162 240 H ASN 32 H ASN 32 39.028 33.831 15.250 241 HA ASN 32 HA ASN 32 41.642 32.552 14.560 242 HB2 ASN 32 HB2 ASN 32 39.102 32.673 12.914 243 HB3 ASN 32 HB3 ASN 32 40.527 31.701 12.563 244 HD21 ASN 32 HD21 ASN 32 37.527 29.947 14.271 245 HD22 ASN 32 HD22 ASN 32 37.559 31.184 13.021
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