NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
631395 | 6b9w | 30351 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H1 GLY 1 14.255 22.595 13.450 2 H2 GLY 1 H2 GLY 1 14.956 23.758 12.521 3 H3 GLY 1 H3 GLY 1 14.676 24.028 14.127 4 HA2 GLY 1 HA2 GLY 1 16.243 22.280 14.715 5 HA3 GLY 1 HA3 GLY 1 16.558 22.073 12.981 6 H SER 2 H SER 2 17.499 23.644 15.777 7 HA SER 2 HA SER 2 18.237 26.256 14.933 8 HB2 SER 2 HB2 SER 2 18.122 25.592 17.276 9 HB3 SER 2 HB3 SER 2 19.424 24.415 17.041 10 HG SER 2 HG SER 2 19.546 27.227 17.157 11 H ALA 3 H ALA 3 20.237 27.205 14.331 12 HA ALA 3 HA ALA 3 22.067 25.642 12.692 13 HB1 ALA 3 HB1 ALA 3 22.237 28.476 13.823 14 HB2 ALA 3 HB2 ALA 3 23.280 27.786 12.568 15 HB3 ALA 3 HB3 ALA 3 21.552 28.014 12.244 16 H CYS 4 H CYS 4 21.830 26.320 16.100 17 HA CYS 4 HA CYS 4 24.060 24.532 16.634 18 HB2 CYS 4 HB2 CYS 4 25.306 26.565 16.520 19 HB3 CYS 4 HB3 CYS 4 24.132 27.417 17.525 20 H GLN 5 H GLN 5 22.682 23.108 17.545 21 HA GLN 5 HA GLN 5 20.729 23.757 19.591 22 HB2 GLN 5 HB2 GLN 5 22.147 21.127 18.970 23 HB3 GLN 5 HB3 GLN 5 20.792 21.357 20.085 24 HG2 GLN 5 HG2 GLN 5 19.378 22.182 18.261 25 HG3 GLN 5 HG3 GLN 5 20.671 21.872 17.092 26 HE21 GLN 5 HE21 GLN 5 18.276 18.982 17.056 27 HE22 GLN 5 HE22 GLN 5 18.166 20.711 16.752 28 H PHE 6 H PHE 6 21.036 24.222 21.701 29 HA PHE 6 HA PHE 6 23.612 24.826 22.620 30 HB2 PHE 6 HB2 PHE 6 22.583 25.308 24.781 31 HB3 PHE 6 HB3 PHE 6 21.669 25.985 23.450 32 HD1 PHE 6 HD1 PHE 6 19.331 25.560 23.265 33 HD2 PHE 6 HD2 PHE 6 21.748 23.088 25.845 34 HE1 PHE 6 HE1 PHE 6 17.296 24.449 24.128 35 HE2 PHE 6 HE2 PHE 6 19.725 21.901 26.616 36 HZ PHE 6 HZ PHE 6 17.474 22.604 25.790 37 H TRP 7 H TRP 7 21.834 21.753 23.123 38 HA TRP 7 HA TRP 7 23.217 20.826 25.345 39 HB2 TRP 7 HB2 TRP 7 22.452 18.681 24.850 40 HB3 TRP 7 HB3 TRP 7 21.228 19.773 24.232 41 HD1 TRP 7 HD1 TRP 7 21.038 19.940 21.561 42 HE1 TRP 7 HE1 TRP 7 21.827 18.478 19.612 43 HE3 TRP 7 HE3 TRP 7 24.317 16.946 24.099 44 HZ2 TRP 7 HZ2 TRP 7 23.638 16.266 19.207 45 HZ3 TRP 7 HZ3 TRP 7 25.572 15.175 22.899 46 HH2 TRP 7 HH2 TRP 7 25.245 14.823 20.464 47 H SER 8 H SER 8 24.319 20.646 21.951 48 HA SER 8 HA SER 8 26.589 18.978 22.471 49 HB2 SER 8 HB2 SER 8 25.672 19.249 20.242 50 HB3 SER 8 HB3 SER 8 26.107 20.966 20.242 51 HG SER 8 HG SER 8 27.626 19.527 19.175 52 H CYS 9 H CYS 9 26.238 22.559 22.355 53 HA CYS 9 HA CYS 9 28.977 23.139 23.111 54 HB2 CYS 9 HB2 CYS 9 26.381 24.692 23.115 55 HB3 CYS 9 HB3 CYS 9 27.843 25.345 23.863 56 H ASN 10 H ASN 10 25.965 22.648 25.004 57 HA ASN 10 HA ASN 10 26.928 23.314 27.561 58 HB2 ASN 10 HB2 ASN 10 24.555 22.888 26.980 59 HB3 ASN 10 HB3 ASN 10 24.910 21.185 26.739 60 HD21 ASN 10 HD21 ASN 10 24.432 20.441 30.113 61 HD22 ASN 10 HD22 ASN 10 24.634 19.834 28.481 62 H SER 11 H SER 11 26.829 19.996 26.105 63 HA SER 11 HA SER 11 28.363 18.759 28.137 64 HB2 SER 11 HB2 SER 11 28.108 18.092 25.179 65 HB3 SER 11 HB3 SER 11 28.854 17.043 26.411 66 HG SER 11 HG SER 11 26.976 16.392 26.865 67 H SER 12 H SER 12 29.431 20.562 25.256 68 HA SER 12 HA SER 12 32.234 19.906 25.462 69 HB2 SER 12 HB2 SER 12 30.971 22.363 24.178 70 HB3 SER 12 HB3 SER 12 32.599 21.724 23.901 71 HG SER 12 HG SER 12 30.093 20.600 23.193 72 H CYS 13 H CYS 13 30.277 22.538 26.889 73 HA CYS 13 HA CYS 13 32.568 23.853 28.095 74 HB2 CYS 13 HB2 CYS 13 29.556 24.038 28.489 75 HB3 CYS 13 HB3 CYS 13 30.726 25.083 29.311 76 H ILE 14 H ILE 14 29.938 21.719 29.442 77 HA ILE 14 HA ILE 14 30.982 21.646 32.045 78 HB ILE 14 HB ILE 14 29.477 19.445 30.597 79 HG12 ILE 14 HG12 ILE 14 28.321 21.479 32.534 80 HG13 ILE 14 HG13 ILE 14 28.364 21.839 30.821 81 HG21 ILE 14 HG21 ILE 14 30.065 20.090 33.497 82 HG22 ILE 14 HG22 ILE 14 28.843 18.881 33.019 83 HG23 ILE 14 HG23 ILE 14 30.545 18.613 32.630 84 HD11 ILE 14 HD11 ILE 14 26.934 19.460 32.060 85 HD12 ILE 14 HD12 ILE 14 26.202 20.924 31.420 86 HD13 ILE 14 HD13 ILE 14 27.052 19.798 30.321 87 H SER 15 H SER 15 31.921 19.504 29.310 88 HA SER 15 HA SER 15 33.787 17.919 30.790 89 HB2 SER 15 HB2 SER 15 34.774 17.456 28.540 90 HB3 SER 15 HB3 SER 15 33.029 17.169 28.657 91 HG SER 15 HG SER 15 32.646 18.734 27.343 92 H ARG 16 H ARG 16 34.110 21.202 29.617 93 HA ARG 16 HA ARG 16 37.037 21.313 30.134 94 HB2 ARG 16 HB2 ARG 16 34.997 23.496 29.481 95 HB3 ARG 16 HB3 ARG 16 36.717 23.786 29.755 96 HG2 ARG 16 HG2 ARG 16 37.324 22.368 27.865 97 HG3 ARG 16 HG3 ARG 16 35.637 21.853 27.704 98 HD2 ARG 16 HD2 ARG 16 36.337 23.488 25.970 99 HD3 ARG 16 HD3 ARG 16 34.925 23.970 26.915 100 HE ARG 16 HE ARG 16 37.331 25.089 28.080 101 HH11 ARG 16 HH11 ARG 16 35.527 25.542 25.116 102 HH12 ARG 16 HH12 ARG 16 35.646 27.261 25.202 103 HH21 ARG 16 HH21 ARG 16 37.575 27.267 28.039 104 HH22 ARG 16 HH22 ARG 16 36.753 28.219 26.813 105 H GLY 17 H GLY 17 34.061 22.047 31.855 106 HA2 GLY 17 HA2 GLY 17 34.634 21.503 34.328 107 HA3 GLY 17 HA3 GLY 17 35.594 22.986 34.246 108 H TYR 18 H TYR 18 32.961 23.665 32.257 109 HA TYR 18 HA TYR 18 31.727 25.270 34.342 110 HB2 TYR 18 HB2 TYR 18 31.024 24.788 31.439 111 HB3 TYR 18 HB3 TYR 18 30.440 26.106 32.439 112 HD1 TYR 18 HD1 TYR 18 33.107 24.998 30.295 113 HD2 TYR 18 HD2 TYR 18 32.169 27.731 33.464 114 HE1 TYR 18 HE1 TYR 18 34.957 26.500 29.538 115 HE2 TYR 18 HE2 TYR 18 34.005 29.239 32.721 116 HH TYR 18 HH TYR 18 35.791 29.476 31.292 117 H ARG 19 H ARG 19 29.091 25.327 33.599 118 HA ARG 19 HA ARG 19 27.910 22.639 34.216 119 HB2 ARG 19 HB2 ARG 19 27.153 25.224 35.625 120 HB3 ARG 19 HB3 ARG 19 26.335 23.688 35.748 121 HG2 ARG 19 HG2 ARG 19 27.555 23.516 37.623 122 HG3 ARG 19 HG3 ARG 19 28.678 22.750 36.511 123 HD2 ARG 19 HD2 ARG 19 29.876 24.256 37.982 124 HD3 ARG 19 HD3 ARG 19 29.929 24.913 36.344 125 HE ARG 19 HE ARG 19 27.713 25.933 37.975 126 HH11 ARG 19 HH11 ARG 19 31.115 26.574 37.303 127 HH12 ARG 19 HH12 ARG 19 30.855 28.314 37.439 128 HH21 ARG 19 HH21 ARG 19 27.541 27.994 38.275 129 HH22 ARG 19 HH22 ARG 19 28.907 29.087 38.170 130 H GLN 20 H GLN 20 28.020 25.210 32.142 131 HA GLN 20 HA GLN 20 25.550 24.595 30.781 132 HB2 GLN 20 HB2 GLN 20 24.980 26.285 32.641 133 HB3 GLN 20 HB3 GLN 20 25.915 27.446 31.702 134 HG2 GLN 20 HG2 GLN 20 24.393 27.077 29.760 135 HG3 GLN 20 HG3 GLN 20 23.468 25.922 30.717 136 HE21 GLN 20 HE21 GLN 20 21.922 29.391 30.694 137 HE22 GLN 20 HE22 GLN 20 22.263 28.138 29.512 138 H GLY 21 H GLY 21 25.437 25.331 28.642 139 HA2 GLY 21 HA2 GLY 21 27.354 27.124 27.548 140 HA3 GLY 21 HA3 GLY 21 27.799 25.466 27.122 141 H TYR 22 H TYR 22 27.085 27.579 25.347 142 HA TYR 22 HA TYR 22 24.958 26.502 23.653 143 HB2 TYR 22 HB2 TYR 22 23.601 28.680 23.892 144 HB3 TYR 22 HB3 TYR 22 23.447 27.492 25.168 145 HD1 TYR 22 HD1 TYR 22 24.865 30.826 24.338 146 HD2 TYR 22 HD2 TYR 22 24.200 27.877 27.410 147 HE1 TYR 22 HE1 TYR 22 25.601 32.450 26.065 148 HE2 TYR 22 HE2 TYR 22 25.008 29.491 29.135 149 HH TYR 22 HH TYR 22 26.172 31.438 29.438 150 H CYS 23 H CYS 23 24.650 28.030 21.698 151 HA CYS 23 HA CYS 23 27.168 29.508 21.076 152 HB2 CYS 23 HB2 CYS 23 24.805 28.711 19.363 153 HB3 CYS 23 HB3 CYS 23 26.090 29.784 18.825 154 H TRP 24 H TRP 24 27.005 31.653 20.097 155 HA TRP 24 HA TRP 24 25.228 33.528 21.435 156 HB2 TRP 24 HB2 TRP 24 27.065 33.919 19.047 157 HB3 TRP 24 HB3 TRP 24 26.340 35.171 20.039 158 HD1 TRP 24 HD1 TRP 24 27.470 33.070 22.660 159 HE1 TRP 24 HE1 TRP 24 29.761 33.812 23.539 160 HE3 TRP 24 HE3 TRP 24 28.955 35.963 18.710 161 HZ2 TRP 24 HZ2 TRP 24 31.970 35.425 22.643 162 HZ3 TRP 24 HZ3 TRP 24 31.127 37.150 18.785 163 HH2 TRP 24 HH2 TRP 24 32.637 36.902 20.744 164 H GLY 25 H GLY 25 24.165 35.266 19.912 165 HA2 GLY 25 HA2 GLY 25 21.970 33.903 18.708 166 HA3 GLY 25 HA3 GLY 25 22.202 35.656 18.810 167 H ILE 26 H ILE 26 24.807 35.366 17.135 168 HA ILE 26 HA ILE 26 23.486 34.934 14.476 169 HB ILE 26 HB ILE 26 25.159 37.337 15.257 170 HG12 ILE 26 HG12 ILE 26 22.165 37.033 14.785 171 HG13 ILE 26 HG13 ILE 26 22.959 37.431 16.307 172 HG21 ILE 26 HG21 ILE 26 25.439 36.661 12.859 173 HG22 ILE 26 HG22 ILE 26 23.677 36.722 12.656 174 HG23 ILE 26 HG23 ILE 26 24.612 38.191 13.017 175 HD11 ILE 26 HD11 ILE 26 22.775 39.225 13.866 176 HD12 ILE 26 HD12 ILE 26 22.024 39.445 15.451 177 HD13 ILE 26 HD13 ILE 26 23.786 39.570 15.294 178 H GLN 27 H GLN 27 26.825 35.611 15.739 179 HA GLN 27 HA GLN 27 27.809 33.734 13.646 180 HB2 GLN 27 HB2 GLN 27 29.253 35.256 12.783 181 HB3 GLN 27 HB3 GLN 27 27.847 36.239 13.095 182 HG2 GLN 27 HG2 GLN 27 30.449 36.154 14.666 183 HG3 GLN 27 HG3 GLN 27 29.880 37.445 13.633 184 HE21 GLN 27 HE21 GLN 27 29.310 38.573 17.108 185 HE22 GLN 27 HE22 GLN 27 30.729 38.083 16.151 186 H TYR 28 H TYR 28 29.306 32.300 14.141 187 HA TYR 28 HA TYR 28 31.067 32.470 16.442 188 HB2 TYR 28 HB2 TYR 28 29.884 30.479 17.591 189 HB3 TYR 28 HB3 TYR 28 29.253 32.092 17.819 190 HD1 TYR 28 HD1 TYR 28 28.645 28.859 16.066 191 HD2 TYR 28 HD2 TYR 28 27.064 32.744 17.053 192 HE1 TYR 28 HE1 TYR 28 26.384 28.141 15.306 193 HE2 TYR 28 HE2 TYR 28 24.818 32.044 16.267 194 HH TYR 28 HH TYR 28 23.522 30.131 15.873 195 H LYS 29 H LYS 29 32.706 31.234 16.236 196 HA LYS 29 HA LYS 29 32.665 28.638 14.724 197 HB2 LYS 29 HB2 LYS 29 35.024 30.390 15.527 198 HB3 LYS 29 HB3 LYS 29 35.108 28.908 14.584 199 HG2 LYS 29 HG2 LYS 29 33.734 31.488 13.722 200 HG3 LYS 29 HG3 LYS 29 35.318 30.956 13.197 201 HD2 LYS 29 HD2 LYS 29 34.432 29.178 11.874 202 HD3 LYS 29 HD3 LYS 29 32.862 29.249 12.675 203 HE2 LYS 29 HE2 LYS 29 32.602 30.253 10.522 204 HE3 LYS 29 HE3 LYS 29 32.423 31.469 11.791 205 HZ1 LYS 29 HZ1 LYS 29 33.772 32.352 10.031 206 HZ2 LYS 29 HZ2 LYS 29 34.706 32.188 11.324 207 HZ3 LYS 29 HZ3 LYS 29 34.828 31.075 10.089 208 H TYR 30 H TYR 30 32.893 30.070 17.836 209 HA TYR 30 HA TYR 30 33.440 27.434 19.113 210 HB2 TYR 30 HB2 TYR 30 34.420 30.124 20.099 211 HB3 TYR 30 HB3 TYR 30 34.822 28.548 20.742 212 HD1 TYR 30 HD1 TYR 30 36.012 26.884 18.932 213 HD2 TYR 30 HD2 TYR 30 35.993 31.195 18.760 214 HE1 TYR 30 HE1 TYR 30 38.142 26.851 17.631 215 HE2 TYR 30 HE2 TYR 30 38.102 31.156 17.454 216 HH TYR 30 HH TYR 30 39.861 28.120 16.746 217 H CYS 31 H CYS 31 32.569 27.238 21.298 218 HA CYS 31 HA CYS 31 29.857 28.334 21.461 219 HB2 CYS 31 HB2 CYS 31 31.440 26.444 23.235 220 HB3 CYS 31 HB3 CYS 31 29.742 26.802 23.456 221 H GLN 32 H GLN 32 28.967 29.066 23.561 222 HA GLN 32 HA GLN 32 30.818 30.659 25.264 223 HB2 GLN 32 HB2 GLN 32 29.067 31.980 24.241 224 HB3 GLN 32 HB3 GLN 32 27.816 30.893 24.848 225 HG2 GLN 32 HG2 GLN 32 28.204 31.511 27.135 226 HG3 GLN 32 HG3 GLN 32 29.735 32.276 26.733 227 HE21 GLN 32 HE21 GLN 32 27.385 35.055 27.269 228 HE22 GLN 32 HE22 GLN 32 28.014 33.726 28.264 229 H CYS 33 H CYS 33 30.884 30.180 27.421 230 HA CYS 33 HA CYS 33 29.411 27.758 28.486 231 HB2 CYS 33 HB2 CYS 33 32.294 28.637 28.983 232 HB3 CYS 33 HB3 CYS 33 31.449 27.231 29.647 233 H GLN 34 H GLN 34 29.126 27.694 30.664 234 HA GLN 34 HA GLN 34 27.705 28.581 32.172 235 HB2 GLN 34 HB2 GLN 34 30.115 28.488 33.049 236 HB3 GLN 34 HB3 GLN 34 30.117 30.250 32.960 237 HG2 GLN 34 HG2 GLN 34 29.507 29.469 35.216 238 HG3 GLN 34 HG3 GLN 34 28.145 30.290 34.458 239 HE21 GLN 34 HE21 GLN 34 26.178 27.488 35.465 240 HE22 GLN 34 HE22 GLN 34 26.497 29.220 35.638 Start of MODEL 2 1 H1 GLY 1 H1 GLY 1 28.338 17.598 11.312 2 H2 GLY 1 H2 GLY 1 29.401 18.682 11.976 3 H3 GLY 1 H3 GLY 1 28.664 19.012 10.538 4 HA2 GLY 1 HA2 GLY 1 26.515 19.121 11.568 5 HA3 GLY 1 HA3 GLY 1 27.272 18.722 13.118 6 H SER 2 H SER 2 27.230 21.129 10.484 7 HA SER 2 HA SER 2 29.021 22.940 11.822 8 HB2 SER 2 HB2 SER 2 27.155 23.462 9.482 9 HB3 SER 2 HB3 SER 2 28.628 24.372 9.923 10 HG SER 2 HG SER 2 29.101 22.918 8.308 11 H ALA 3 H ALA 3 25.455 22.825 11.635 12 HA ALA 3 HA ALA 3 24.979 25.400 12.786 13 HB1 ALA 3 HB1 ALA 3 22.702 24.540 13.144 14 HB2 ALA 3 HB2 ALA 3 23.302 24.143 11.523 15 HB3 ALA 3 HB3 ALA 3 23.257 22.889 12.789 16 H CYS 4 H CYS 4 24.452 26.048 14.888 17 HA CYS 4 HA CYS 4 25.691 24.450 17.028 18 HB2 CYS 4 HB2 CYS 4 25.787 26.430 18.310 19 HB3 CYS 4 HB3 CYS 4 26.321 26.791 16.683 20 H GLN 5 H GLN 5 24.649 23.481 18.655 21 HA GLN 5 HA GLN 5 21.877 24.247 19.351 22 HB2 GLN 5 HB2 GLN 5 22.801 21.376 18.893 23 HB3 GLN 5 HB3 GLN 5 21.343 21.834 19.778 24 HG2 GLN 5 HG2 GLN 5 20.279 22.779 17.904 25 HG3 GLN 5 HG3 GLN 5 21.737 22.689 16.911 26 HE21 GLN 5 HE21 GLN 5 19.649 19.922 15.734 27 HE22 GLN 5 HE22 GLN 5 19.556 21.688 15.762 28 H PHE 6 H PHE 6 21.658 24.472 21.533 29 HA PHE 6 HA PHE 6 23.838 24.789 23.120 30 HB2 PHE 6 HB2 PHE 6 22.445 25.121 24.974 31 HB3 PHE 6 HB3 PHE 6 21.471 25.550 23.607 32 HD1 PHE 6 HD1 PHE 6 19.666 23.971 22.757 33 HD2 PHE 6 HD2 PHE 6 21.779 23.310 26.462 34 HE1 PHE 6 HE1 PHE 6 17.970 22.284 23.424 35 HE2 PHE 6 HE2 PHE 6 20.075 21.630 27.130 36 HZ PHE 6 HZ PHE 6 18.179 21.105 25.604 37 H TRP 7 H TRP 7 21.897 21.776 23.194 38 HA TRP 7 HA TRP 7 23.110 20.473 25.273 39 HB2 TRP 7 HB2 TRP 7 22.155 18.488 24.434 40 HB3 TRP 7 HB3 TRP 7 21.081 19.800 23.959 41 HD1 TRP 7 HD1 TRP 7 20.962 20.376 21.355 42 HE1 TRP 7 HE1 TRP 7 21.678 19.131 19.215 43 HE3 TRP 7 HE3 TRP 7 23.946 16.785 23.448 44 HZ2 TRP 7 HZ2 TRP 7 23.180 16.779 18.522 45 HZ3 TRP 7 HZ3 TRP 7 25.021 15.060 22.027 46 HH2 TRP 7 HH2 TRP 7 24.616 15.029 19.578 47 H SER 8 H SER 8 24.254 20.406 21.908 48 HA SER 8 HA SER 8 26.338 18.491 22.266 49 HB2 SER 8 HB2 SER 8 25.294 18.893 20.133 50 HB3 SER 8 HB3 SER 8 25.826 20.582 20.130 51 HG SER 8 HG SER 8 27.536 18.296 20.145 52 H CYS 9 H CYS 9 26.194 21.943 22.753 53 HA CYS 9 HA CYS 9 29.117 22.254 23.182 54 HB2 CYS 9 HB2 CYS 9 26.749 24.157 23.165 55 HB3 CYS 9 HB3 CYS 9 28.404 24.626 23.614 56 H ASN 10 H ASN 10 26.086 22.078 25.023 57 HA ASN 10 HA ASN 10 26.971 23.012 27.507 58 HB2 ASN 10 HB2 ASN 10 24.632 22.691 26.759 59 HB3 ASN 10 HB3 ASN 10 24.841 20.937 26.819 60 HD21 ASN 10 HD21 ASN 10 23.638 21.044 30.101 61 HD22 ASN 10 HD22 ASN 10 23.869 20.104 28.619 62 H SER 11 H SER 11 26.722 19.524 26.503 63 HA SER 11 HA SER 11 28.097 18.532 28.805 64 HB2 SER 11 HB2 SER 11 27.896 17.360 26.010 65 HB3 SER 11 HB3 SER 11 28.526 16.502 27.435 66 HG SER 11 HG SER 11 26.568 16.691 28.434 67 H SER 12 H SER 12 29.421 19.803 25.745 68 HA SER 12 HA SER 12 32.158 19.044 26.241 69 HB2 SER 12 HB2 SER 12 31.377 19.716 24.007 70 HB3 SER 12 HB3 SER 12 31.052 21.351 24.595 71 HG SER 12 HG SER 12 33.400 20.219 23.820 72 H CYS 13 H CYS 13 30.506 22.243 26.750 73 HA CYS 13 HA CYS 13 32.546 23.539 28.130 74 HB2 CYS 13 HB2 CYS 13 29.515 23.705 28.366 75 HB3 CYS 13 HB3 CYS 13 30.608 24.843 29.126 76 H ILE 14 H ILE 14 29.842 21.618 29.652 77 HA ILE 14 HA ILE 14 30.833 21.868 32.284 78 HB ILE 14 HB ILE 14 29.346 19.477 31.137 79 HG12 ILE 14 HG12 ILE 14 28.035 21.702 32.714 80 HG13 ILE 14 HG13 ILE 14 28.225 21.924 30.991 81 HG21 ILE 14 HG21 ILE 14 29.871 20.604 33.914 82 HG22 ILE 14 HG22 ILE 14 28.651 19.335 33.609 83 HG23 ILE 14 HG23 ILE 14 30.360 19.010 33.304 84 HD11 ILE 14 HD11 ILE 14 26.741 19.616 32.316 85 HD12 ILE 14 HD12 ILE 14 26.023 21.013 31.497 86 HD13 ILE 14 HD13 ILE 14 26.961 19.830 30.566 87 H SER 15 H SER 15 31.717 19.436 29.796 88 HA SER 15 HA SER 15 33.556 18.012 31.497 89 HB2 SER 15 HB2 SER 15 33.537 18.087 28.466 90 HB3 SER 15 HB3 SER 15 34.300 16.874 29.513 91 HG SER 15 HG SER 15 31.567 17.443 29.091 92 H ARG 16 H ARG 16 33.903 21.065 29.920 93 HA ARG 16 HA ARG 16 36.870 21.095 30.146 94 HB2 ARG 16 HB2 ARG 16 34.854 23.227 29.314 95 HB3 ARG 16 HB3 ARG 16 36.605 23.470 29.374 96 HG2 ARG 16 HG2 ARG 16 36.983 21.759 27.704 97 HG3 ARG 16 HG3 ARG 16 35.292 21.256 27.791 98 HD2 ARG 16 HD2 ARG 16 35.701 22.517 25.748 99 HD3 ARG 16 HD3 ARG 16 34.529 23.316 26.806 100 HE ARG 16 HE ARG 16 37.344 24.212 27.060 101 HH11 ARG 16 HH11 ARG 16 34.398 24.805 25.229 102 HH12 ARG 16 HH12 ARG 16 34.750 26.510 25.076 103 HH21 ARG 16 HH21 ARG 16 37.642 26.353 26.952 104 HH22 ARG 16 HH22 ARG 16 36.481 27.379 26.103 105 H GLY 17 H GLY 17 34.102 22.056 32.024 106 HA2 GLY 17 HA2 GLY 17 34.908 21.919 34.475 107 HA3 GLY 17 HA3 GLY 17 35.813 23.385 34.083 108 H TYR 18 H TYR 18 33.010 23.669 32.279 109 HA TYR 18 HA TYR 18 31.937 25.627 34.167 110 HB2 TYR 18 HB2 TYR 18 31.216 24.857 31.326 111 HB3 TYR 18 HB3 TYR 18 30.700 26.301 32.153 112 HD1 TYR 18 HD1 TYR 18 32.743 27.712 33.267 113 HD2 TYR 18 HD2 TYR 18 33.137 24.984 29.981 114 HE1 TYR 18 HE1 TYR 18 34.721 28.986 32.464 115 HE2 TYR 18 HE2 TYR 18 35.146 26.257 29.162 116 HH TYR 18 HH TYR 18 36.236 29.248 30.813 117 H ARG 19 H ARG 19 29.276 25.741 33.338 118 HA ARG 19 HA ARG 19 27.981 23.174 34.155 119 HB2 ARG 19 HB2 ARG 19 27.358 25.866 35.395 120 HB3 ARG 19 HB3 ARG 19 26.313 24.461 35.481 121 HG2 ARG 19 HG2 ARG 19 27.341 23.989 37.396 122 HG3 ARG 19 HG3 ARG 19 28.586 23.296 36.376 123 HD2 ARG 19 HD2 ARG 19 29.699 24.634 37.966 124 HD3 ARG 19 HD3 ARG 19 29.763 25.583 36.467 125 HE ARG 19 HE ARG 19 27.460 26.483 37.721 126 HH11 ARG 19 HH11 ARG 19 30.831 26.380 38.797 127 HH12 ARG 19 HH12 ARG 19 30.559 27.793 39.813 128 HH21 ARG 19 HH21 ARG 19 27.198 27.969 39.263 129 HH22 ARG 19 HH22 ARG 19 28.527 28.413 40.312 130 H GLN 20 H GLN 20 28.183 25.516 31.808 131 HA GLN 20 HA GLN 20 25.634 24.804 30.607 132 HB2 GLN 20 HB2 GLN 20 25.425 26.901 32.265 133 HB3 GLN 20 HB3 GLN 20 26.149 27.746 30.905 134 HG2 GLN 20 HG2 GLN 20 23.813 28.005 30.638 135 HG3 GLN 20 HG3 GLN 20 24.241 26.769 29.467 136 HE21 GLN 20 HE21 GLN 20 21.739 24.652 30.844 137 HE22 GLN 20 HE22 GLN 20 22.612 25.219 29.429 138 H GLY 21 H GLY 21 25.473 25.409 28.384 139 HA2 GLY 21 HA2 GLY 21 27.577 26.866 27.068 140 HA3 GLY 21 HA3 GLY 21 27.655 25.150 26.677 141 H TYR 22 H TYR 22 27.004 27.606 25.038 142 HA TYR 22 HA TYR 22 24.629 26.709 23.552 143 HB2 TYR 22 HB2 TYR 22 23.521 29.032 24.053 144 HB3 TYR 22 HB3 TYR 22 23.349 27.720 25.192 145 HD1 TYR 22 HD1 TYR 22 25.696 30.597 24.495 146 HD2 TYR 22 HD2 TYR 22 23.730 28.117 27.410 147 HE1 TYR 22 HE1 TYR 22 26.814 31.878 26.314 148 HE2 TYR 22 HE2 TYR 22 24.833 29.457 29.257 149 HH TYR 22 HH TYR 22 26.514 30.974 29.730 150 H CYS 23 H CYS 23 23.983 28.327 21.874 151 HA CYS 23 HA CYS 23 26.141 29.236 20.226 152 HB2 CYS 23 HB2 CYS 23 23.227 30.075 20.289 153 HB3 CYS 23 HB3 CYS 23 24.314 30.300 18.941 154 H TRP 24 H TRP 24 26.813 31.352 19.688 155 HA TRP 24 HA TRP 24 26.503 33.518 21.683 156 HB2 TRP 24 HB2 TRP 24 28.006 33.165 19.087 157 HB3 TRP 24 HB3 TRP 24 27.668 34.779 19.654 158 HD1 TRP 24 HD1 TRP 24 30.273 32.364 19.817 159 HE1 TRP 24 HE1 TRP 24 31.943 32.807 21.688 160 HE3 TRP 24 HE3 TRP 24 27.536 35.738 22.537 161 HZ2 TRP 24 HZ2 TRP 24 32.130 34.505 24.024 162 HZ3 TRP 24 HZ3 TRP 24 28.501 36.767 24.577 163 HH2 TRP 24 HH2 TRP 24 30.788 36.159 25.337 164 H GLY 25 H GLY 25 25.704 35.717 20.925 165 HA2 GLY 25 HA2 GLY 25 23.052 35.476 19.860 166 HA3 GLY 25 HA3 GLY 25 23.923 36.981 20.197 167 H ILE 26 H ILE 26 26.071 36.793 18.437 168 HA ILE 26 HA ILE 26 25.080 36.209 15.716 169 HB ILE 26 HB ILE 26 25.720 38.350 14.808 170 HG12 ILE 26 HG12 ILE 26 26.121 39.278 17.670 171 HG13 ILE 26 HG13 ILE 26 27.383 39.027 16.456 172 HG21 ILE 26 HG21 ILE 26 23.362 37.891 15.417 173 HG22 ILE 26 HG22 ILE 26 23.623 38.759 16.946 174 HG23 ILE 26 HG23 ILE 26 23.771 39.608 15.399 175 HD11 ILE 26 HD11 ILE 26 25.222 41.145 16.430 176 HD12 ILE 26 HD12 ILE 26 26.979 41.366 16.517 177 HD13 ILE 26 HD13 ILE 26 26.245 40.777 15.017 178 H GLN 27 H GLN 27 27.836 36.519 17.862 179 HA GLN 27 HA GLN 27 29.747 36.253 15.613 180 HB2 GLN 27 HB2 GLN 27 30.239 36.446 18.608 181 HB3 GLN 27 HB3 GLN 27 31.469 36.357 17.340 182 HG2 GLN 27 HG2 GLN 27 30.154 38.438 16.350 183 HG3 GLN 27 HG3 GLN 27 29.641 38.654 18.020 184 HE21 GLN 27 HE21 GLN 27 32.952 40.416 17.084 185 HE22 GLN 27 HE22 GLN 27 31.396 40.309 16.270 186 H TYR 28 H TYR 28 28.481 34.215 15.095 187 HA TYR 28 HA TYR 28 28.632 31.911 16.706 188 HB2 TYR 28 HB2 TYR 28 28.196 31.940 13.715 189 HB3 TYR 28 HB3 TYR 28 27.598 30.777 14.884 190 HD1 TYR 28 HD1 TYR 28 26.802 33.686 12.999 191 HD2 TYR 28 HD2 TYR 28 25.943 31.710 16.740 192 HE1 TYR 28 HE1 TYR 28 24.660 34.934 13.169 193 HE2 TYR 28 HE2 TYR 28 23.788 32.947 16.886 194 HH TYR 28 HH TYR 28 22.809 35.050 16.004 195 H LYS 29 H LYS 29 31.423 32.851 16.227 196 HA LYS 29 HA LYS 29 32.857 31.114 14.441 197 HB2 LYS 29 HB2 LYS 29 33.628 32.590 16.992 198 HB3 LYS 29 HB3 LYS 29 34.790 31.607 16.092 199 HG2 LYS 29 HG2 LYS 29 34.445 32.936 14.072 200 HG3 LYS 29 HG3 LYS 29 33.242 33.939 14.890 201 HD2 LYS 29 HD2 LYS 29 36.151 33.707 15.781 202 HD3 LYS 29 HD3 LYS 29 35.548 34.947 14.671 203 HE2 LYS 29 HE2 LYS 29 33.953 35.746 16.389 204 HE3 LYS 29 HE3 LYS 29 34.570 34.533 17.532 205 HZ1 LYS 29 HZ1 LYS 29 36.722 35.591 17.443 206 HZ2 LYS 29 HZ2 LYS 29 36.253 36.656 16.306 207 HZ3 LYS 29 HZ3 LYS 29 35.606 36.739 17.820 208 H TYR 30 H TYR 30 31.788 30.625 17.737 209 HA TYR 30 HA TYR 30 31.444 27.844 17.453 210 HB2 TYR 30 HB2 TYR 30 33.907 27.751 17.837 211 HB3 TYR 30 HB3 TYR 30 33.714 28.696 19.305 212 HD1 TYR 30 HD1 TYR 30 31.856 25.656 17.955 213 HD2 TYR 30 HD2 TYR 30 34.320 27.317 21.087 214 HE1 TYR 30 HE1 TYR 30 31.567 23.581 19.287 215 HE2 TYR 30 HE2 TYR 30 34.049 25.231 22.403 216 HH TYR 30 HH TYR 30 31.878 22.579 21.361 217 H CYS 31 H CYS 31 30.930 27.039 19.982 218 HA CYS 31 HA CYS 31 28.856 28.798 21.028 219 HB2 CYS 31 HB2 CYS 31 30.104 26.173 21.865 220 HB3 CYS 31 HB3 CYS 31 28.901 26.978 22.861 221 H GLN 32 H GLN 32 28.686 29.352 23.259 222 HA GLN 32 HA GLN 32 31.211 30.119 24.649 223 HB2 GLN 32 HB2 GLN 32 29.966 32.085 24.053 224 HB3 GLN 32 HB3 GLN 32 28.458 31.393 24.608 225 HG2 GLN 32 HG2 GLN 32 29.169 33.125 26.114 226 HG3 GLN 32 HG3 GLN 32 29.192 31.589 26.962 227 HE21 GLN 32 HE21 GLN 32 32.329 33.573 27.758 228 HE22 GLN 32 HE22 GLN 32 30.633 33.989 27.845 229 H CYS 33 H CYS 33 31.342 29.663 26.850 230 HA CYS 33 HA CYS 33 29.496 27.562 28.005 231 HB2 CYS 33 HB2 CYS 33 32.406 28.176 28.609 232 HB3 CYS 33 HB3 CYS 33 31.416 26.896 29.281 233 H GLN 34 H GLN 34 29.372 27.586 30.315 234 HA GLN 34 HA GLN 34 28.306 28.514 32.035 235 HB2 GLN 34 HB2 GLN 34 30.740 28.432 32.558 236 HB3 GLN 34 HB3 GLN 34 30.900 30.110 32.077 237 HG2 GLN 34 HG2 GLN 34 30.845 29.937 34.465 238 HG3 GLN 34 HG3 GLN 34 29.386 30.762 33.917 239 HE21 GLN 34 HE21 GLN 34 28.134 28.528 36.500 240 HE22 GLN 34 HE22 GLN 34 29.129 29.985 36.393 Start of MODEL 3 1 H1 GLY 1 H1 GLY 1 16.505 26.669 8.719 2 H2 GLY 1 H2 GLY 1 18.045 26.183 9.083 3 H3 GLY 1 H3 GLY 1 17.645 27.771 9.144 4 HA2 GLY 1 HA2 GLY 1 16.105 27.356 10.961 5 HA3 GLY 1 HA3 GLY 1 16.637 25.659 10.931 6 H SER 2 H SER 2 17.496 25.757 13.067 7 HA SER 2 HA SER 2 19.579 27.654 13.767 8 HB2 SER 2 HB2 SER 2 18.954 25.003 15.092 9 HB3 SER 2 HB3 SER 2 19.803 26.395 15.790 10 HG SER 2 HG SER 2 17.812 26.701 16.523 11 H ALA 3 H ALA 3 21.757 27.521 13.477 12 HA ALA 3 HA ALA 3 22.998 25.195 12.173 13 HB1 ALA 3 HB1 ALA 3 25.020 26.605 12.280 14 HB2 ALA 3 HB2 ALA 3 23.645 27.514 11.626 15 HB3 ALA 3 HB3 ALA 3 24.170 27.779 13.305 16 H CYS 4 H CYS 4 22.487 26.263 15.414 17 HA CYS 4 HA CYS 4 24.146 24.134 16.643 18 HB2 CYS 4 HB2 CYS 4 25.530 26.126 16.511 19 HB3 CYS 4 HB3 CYS 4 24.250 27.130 17.171 20 H GLN 5 H GLN 5 23.329 23.436 18.672 21 HA GLN 5 HA GLN 5 20.873 24.745 19.770 22 HB2 GLN 5 HB2 GLN 5 21.396 21.766 19.487 23 HB3 GLN 5 HB3 GLN 5 20.024 22.469 20.329 24 HG2 GLN 5 HG2 GLN 5 20.588 22.799 17.345 25 HG3 GLN 5 HG3 GLN 5 19.525 21.584 18.038 26 HE21 GLN 5 HE21 GLN 5 17.161 24.070 17.007 27 HE22 GLN 5 HE22 GLN 5 18.256 22.890 16.261 28 H PHE 6 H PHE 6 20.732 24.814 22.023 29 HA PHE 6 HA PHE 6 23.096 25.024 23.398 30 HB2 PHE 6 HB2 PHE 6 21.858 25.311 25.422 31 HB3 PHE 6 HB3 PHE 6 20.948 26.020 24.118 32 HD1 PHE 6 HD1 PHE 6 18.754 25.144 23.472 33 HD2 PHE 6 HD2 PHE 6 21.108 23.155 26.490 34 HE1 PHE 6 HE1 PHE 6 16.826 23.689 24.026 35 HE2 PHE 6 HE2 PHE 6 19.197 21.652 26.978 36 HZ PHE 6 HZ PHE 6 17.058 21.911 25.748 37 H TRP 7 H TRP 7 21.152 21.985 23.333 38 HA TRP 7 HA TRP 7 22.541 20.641 25.382 39 HB2 TRP 7 HB2 TRP 7 21.728 18.646 24.552 40 HB3 TRP 7 HB3 TRP 7 20.453 19.833 24.260 41 HD1 TRP 7 HD1 TRP 7 20.031 20.459 21.671 42 HE1 TRP 7 HE1 TRP 7 20.731 19.390 19.415 43 HE3 TRP 7 HE3 TRP 7 23.364 16.991 23.391 44 HZ2 TRP 7 HZ2 TRP 7 22.626 17.449 18.491 45 HZ3 TRP 7 HZ3 TRP 7 24.697 15.627 21.799 46 HH2 TRP 7 HH2 TRP 7 24.371 15.879 19.351 47 H SER 8 H SER 8 23.459 21.081 21.998 48 HA SER 8 HA SER 8 25.662 19.211 21.970 49 HB2 SER 8 HB2 SER 8 24.494 20.024 19.943 50 HB3 SER 8 HB3 SER 8 25.133 21.651 20.232 51 HG SER 8 HG SER 8 26.324 19.469 19.127 52 H CYS 9 H CYS 9 25.344 22.714 22.636 53 HA CYS 9 HA CYS 9 28.173 23.084 23.172 54 HB2 CYS 9 HB2 CYS 9 25.665 24.746 23.542 55 HB3 CYS 9 HB3 CYS 9 27.219 25.274 24.186 56 H ASN 10 H ASN 10 25.409 22.318 25.267 57 HA ASN 10 HA ASN 10 26.536 23.038 27.718 58 HB2 ASN 10 HB2 ASN 10 24.190 22.465 27.329 59 HB3 ASN 10 HB3 ASN 10 24.610 20.753 27.116 60 HD21 ASN 10 HD21 ASN 10 24.544 20.217 30.634 61 HD22 ASN 10 HD22 ASN 10 24.494 19.501 29.043 62 H SER 11 H SER 11 26.713 19.738 26.229 63 HA SER 11 HA SER 11 28.444 18.717 28.268 64 HB2 SER 11 HB2 SER 11 28.908 16.878 26.736 65 HB3 SER 11 HB3 SER 11 27.178 17.265 26.751 66 HG SER 11 HG SER 11 27.345 17.513 24.711 67 H SER 12 H SER 12 29.226 20.430 25.250 68 HA SER 12 HA SER 12 32.072 20.013 25.305 69 HB2 SER 12 HB2 SER 12 31.081 20.803 23.273 70 HB3 SER 12 HB3 SER 12 30.359 22.202 24.083 71 HG SER 12 HG SER 12 33.147 21.702 23.703 72 H CYS 13 H CYS 13 30.126 22.839 26.478 73 HA CYS 13 HA CYS 13 32.309 24.185 27.686 74 HB2 CYS 13 HB2 CYS 13 29.340 24.115 28.300 75 HB3 CYS 13 HB3 CYS 13 30.467 25.202 29.107 76 H ILE 14 H ILE 14 30.012 21.826 29.265 77 HA ILE 14 HA ILE 14 31.404 21.850 31.730 78 HB ILE 14 HB ILE 14 29.817 19.571 30.499 79 HG12 ILE 14 HG12 ILE 14 28.903 21.558 32.618 80 HG13 ILE 14 HG13 ILE 14 28.652 21.907 30.919 81 HG21 ILE 14 HG21 ILE 14 30.917 20.205 33.264 82 HG22 ILE 14 HG22 ILE 14 29.640 18.982 33.014 83 HG23 ILE 14 HG23 ILE 14 31.234 18.758 32.281 84 HD11 ILE 14 HD11 ILE 14 26.644 20.938 31.803 85 HD12 ILE 14 HD12 ILE 14 27.368 19.788 30.663 86 HD13 ILE 14 HD13 ILE 14 27.512 19.521 32.416 87 H SER 15 H SER 15 32.158 19.897 28.799 88 HA SER 15 HA SER 15 34.271 18.376 29.976 89 HB2 SER 15 HB2 SER 15 33.284 17.852 27.777 90 HB3 SER 15 HB3 SER 15 33.970 19.341 27.101 91 HG SER 15 HG SER 15 35.355 17.133 28.218 92 H ARG 16 H ARG 16 34.202 21.665 28.727 93 HA ARG 16 HA ARG 16 37.107 22.145 28.938 94 HB2 ARG 16 HB2 ARG 16 34.773 24.067 28.574 95 HB3 ARG 16 HB3 ARG 16 36.478 24.514 28.497 96 HG2 ARG 16 HG2 ARG 16 36.823 23.141 26.528 97 HG3 ARG 16 HG3 ARG 16 35.236 22.402 26.719 98 HD2 ARG 16 HD2 ARG 16 35.221 24.020 24.881 99 HD3 ARG 16 HD3 ARG 16 34.101 24.476 26.176 100 HE ARG 16 HE ARG 16 36.728 25.696 26.501 101 HH11 ARG 16 HH11 ARG 16 33.833 26.249 24.507 102 HH12 ARG 16 HH12 ARG 16 33.950 27.978 24.836 103 HH21 ARG 16 HH21 ARG 16 36.911 27.745 26.532 104 HH22 ARG 16 HH22 ARG 16 35.844 28.806 25.624 105 H GLY 17 H GLY 17 34.520 22.118 31.192 106 HA2 GLY 17 HA2 GLY 17 35.338 21.713 33.476 107 HA3 GLY 17 HA3 GLY 17 36.356 23.146 33.329 108 H TYR 18 H TYR 18 33.370 23.726 31.770 109 HA TYR 18 HA TYR 18 32.450 25.426 33.939 110 HB2 TYR 18 HB2 TYR 18 31.435 24.827 31.148 111 HB3 TYR 18 HB3 TYR 18 30.742 26.016 32.196 112 HD1 TYR 18 HD1 TYR 18 31.919 28.043 32.885 113 HD2 TYR 18 HD2 TYR 18 33.654 25.259 30.116 114 HE1 TYR 18 HE1 TYR 18 33.481 29.795 32.130 115 HE2 TYR 18 HE2 TYR 18 35.225 27.044 29.302 116 HH TYR 18 HH TYR 18 35.090 30.354 30.708 117 H ARG 19 H ARG 19 29.749 25.339 33.578 118 HA ARG 19 HA ARG 19 28.760 22.655 34.460 119 HB2 ARG 19 HB2 ARG 19 28.265 25.274 35.925 120 HB3 ARG 19 HB3 ARG 19 27.276 23.835 36.111 121 HG2 ARG 19 HG2 ARG 19 28.641 23.409 37.843 122 HG3 ARG 19 HG3 ARG 19 29.605 22.635 36.596 123 HD2 ARG 19 HD2 ARG 19 31.090 23.905 37.932 124 HD3 ARG 19 HD3 ARG 19 30.941 24.808 36.424 125 HE ARG 19 HE ARG 19 29.133 26.165 37.745 126 HH11 ARG 19 HH11 ARG 19 32.137 25.073 39.232 127 HH12 ARG 19 HH12 ARG 19 31.886 26.150 40.594 128 HH21 ARG 19 HH21 ARG 19 29.075 27.594 39.275 129 HH22 ARG 19 HH22 ARG 19 30.447 27.822 40.356 130 H GLN 20 H GLN 20 28.452 25.083 32.227 131 HA GLN 20 HA GLN 20 25.984 24.128 31.210 132 HB2 GLN 20 HB2 GLN 20 25.443 25.989 33.114 133 HB3 GLN 20 HB3 GLN 20 25.808 27.074 31.764 134 HG2 GLN 20 HG2 GLN 20 24.138 25.548 30.428 135 HG3 GLN 20 HG3 GLN 20 23.641 24.946 31.999 136 HE21 GLN 20 HE21 GLN 20 21.400 27.742 30.817 137 HE22 GLN 20 HE22 GLN 20 22.008 26.286 30.050 138 H GLY 21 H GLY 21 25.414 25.108 29.142 139 HA2 GLY 21 HA2 GLY 21 27.316 26.754 27.774 140 HA3 GLY 21 HA3 GLY 21 27.459 25.063 27.296 141 H TYR 22 H TYR 22 26.601 27.465 25.835 142 HA TYR 22 HA TYR 22 24.194 26.511 24.475 143 HB2 TYR 22 HB2 TYR 22 23.140 28.876 24.968 144 HB3 TYR 22 HB3 TYR 22 22.953 27.514 26.060 145 HD1 TYR 22 HD1 TYR 22 25.036 30.583 25.579 146 HD2 TYR 22 HD2 TYR 22 23.468 27.663 28.312 147 HE1 TYR 22 HE1 TYR 22 25.970 31.886 27.494 148 HE2 TYR 22 HE2 TYR 22 24.439 28.958 30.241 149 HH TYR 22 HH TYR 22 26.427 31.887 29.719 150 H CYS 23 H CYS 23 23.591 28.176 22.684 151 HA CYS 23 HA CYS 23 26.097 28.535 21.188 152 HB2 CYS 23 HB2 CYS 23 23.209 28.868 20.333 153 HB3 CYS 23 HB3 CYS 23 24.605 28.747 19.266 154 H TRP 24 H TRP 24 26.841 30.397 20.237 155 HA TRP 24 HA TRP 24 25.885 33.058 21.112 156 HB2 TRP 24 HB2 TRP 24 27.988 32.162 19.121 157 HB3 TRP 24 HB3 TRP 24 27.681 33.832 19.547 158 HD1 TRP 24 HD1 TRP 24 29.566 30.814 20.577 159 HE1 TRP 24 HE1 TRP 24 31.190 31.354 22.486 160 HE3 TRP 24 HE3 TRP 24 27.800 35.448 21.822 161 HZ2 TRP 24 HZ2 TRP 24 31.737 33.576 24.238 162 HZ3 TRP 24 HZ3 TRP 24 28.901 36.757 23.623 163 HH2 TRP 24 HH2 TRP 24 30.872 35.847 24.824 164 H GLY 25 H GLY 25 25.647 34.691 19.141 165 HA2 GLY 25 HA2 GLY 25 23.358 33.950 17.602 166 HA3 GLY 25 HA3 GLY 25 24.286 35.440 17.455 167 H ILE 26 H ILE 26 26.521 35.079 16.285 168 HA ILE 26 HA ILE 26 26.385 33.153 14.025 169 HB ILE 26 HB ILE 26 26.678 35.026 12.391 170 HG12 ILE 26 HG12 ILE 26 25.607 36.832 14.595 171 HG13 ILE 26 HG13 ILE 26 27.302 36.768 14.122 172 HG21 ILE 26 HG21 ILE 26 23.975 35.132 13.766 173 HG22 ILE 26 HG22 ILE 26 24.349 35.444 12.063 174 HG23 ILE 26 HG23 ILE 26 24.525 33.812 12.703 175 HD11 ILE 26 HD11 ILE 26 26.690 37.458 11.806 176 HD12 ILE 26 HD12 ILE 26 24.998 37.642 12.337 177 HD13 ILE 26 HD13 ILE 26 26.264 38.660 13.041 178 H GLN 27 H GLN 27 28.262 32.979 12.763 179 HA GLN 27 HA GLN 27 30.399 32.885 12.196 180 HB2 GLN 27 HB2 GLN 27 30.435 35.724 13.227 181 HB3 GLN 27 HB3 GLN 27 31.727 35.022 12.277 182 HG2 GLN 27 HG2 GLN 27 28.836 35.197 11.297 183 HG3 GLN 27 HG3 GLN 27 30.049 36.433 11.020 184 HE21 GLN 27 HE21 GLN 27 29.928 34.076 8.071 185 HE22 GLN 27 HE22 GLN 27 28.584 34.687 9.008 186 H TYR 28 H TYR 28 29.804 32.639 15.351 187 HA TYR 28 HA TYR 28 32.234 32.835 16.752 188 HB2 TYR 28 HB2 TYR 28 31.094 31.104 18.237 189 HB3 TYR 28 HB3 TYR 28 30.203 32.577 17.917 190 HD1 TYR 28 HD1 TYR 28 30.426 28.943 16.991 191 HD2 TYR 28 HD2 TYR 28 28.106 32.579 16.746 192 HE1 TYR 28 HE1 TYR 28 28.476 27.656 16.123 193 HE2 TYR 28 HE2 TYR 28 26.180 31.293 15.850 194 HH TYR 28 HH TYR 28 25.291 29.097 15.815 195 H LYS 29 H LYS 29 33.715 31.256 17.514 196 HA LYS 29 HA LYS 29 34.199 28.875 15.727 197 HB2 LYS 29 HB2 LYS 29 36.102 30.404 17.564 198 HB3 LYS 29 HB3 LYS 29 36.491 28.921 16.720 199 HG2 LYS 29 HG2 LYS 29 37.464 30.533 15.403 200 HG3 LYS 29 HG3 LYS 29 36.018 30.065 14.529 201 HD2 LYS 29 HD2 LYS 29 36.506 32.484 14.423 202 HD3 LYS 29 HD3 LYS 29 34.925 32.181 15.132 203 HE2 LYS 29 HE2 LYS 29 35.769 32.570 17.374 204 HE3 LYS 29 HE3 LYS 29 37.436 32.604 16.807 205 HZ1 LYS 29 HZ1 LYS 29 37.043 34.650 15.707 206 HZ2 LYS 29 HZ2 LYS 29 35.432 34.613 15.948 207 HZ3 LYS 29 HZ3 LYS 29 36.449 34.820 17.236 208 H TYR 30 H TYR 30 32.906 29.632 18.694 209 HA TYR 30 HA TYR 30 33.241 26.916 19.807 210 HB2 TYR 30 HB2 TYR 30 33.846 29.460 21.371 211 HB3 TYR 30 HB3 TYR 30 33.895 27.823 22.000 212 HD1 TYR 30 HD1 TYR 30 35.642 26.188 21.163 213 HD2 TYR 30 HD2 TYR 30 35.759 30.416 20.305 214 HE1 TYR 30 HE1 TYR 30 38.041 25.995 20.524 215 HE2 TYR 30 HE2 TYR 30 38.158 30.219 19.671 216 HH TYR 30 HH TYR 30 39.759 28.659 18.993 217 H CYS 31 H CYS 31 31.939 26.833 21.950 218 HA CYS 31 HA CYS 31 29.245 28.016 21.670 219 HB2 CYS 31 HB2 CYS 31 30.573 26.115 23.630 220 HB3 CYS 31 HB3 CYS 31 28.892 26.625 23.737 221 H GLN 32 H GLN 32 28.276 28.921 23.756 222 HA GLN 32 HA GLN 32 30.140 30.726 25.227 223 HB2 GLN 32 HB2 GLN 32 28.186 31.674 23.877 224 HB3 GLN 32 HB3 GLN 32 27.122 30.865 25.004 225 HG2 GLN 32 HG2 GLN 32 28.192 32.183 26.868 226 HG3 GLN 32 HG3 GLN 32 29.186 33.012 25.677 227 HE21 GLN 32 HE21 GLN 32 26.264 35.199 26.409 228 HE22 GLN 32 HE22 GLN 32 27.784 34.737 27.161 229 H CYS 33 H CYS 33 30.465 30.243 27.385 230 HA CYS 33 HA CYS 33 29.062 27.824 28.576 231 HB2 CYS 33 HB2 CYS 33 31.913 28.799 28.908 232 HB3 CYS 33 HB3 CYS 33 31.194 27.324 29.539 233 H GLN 34 H GLN 34 29.359 27.648 30.932 234 HA GLN 34 HA GLN 34 27.555 29.329 32.081 235 HB2 GLN 34 HB2 GLN 34 28.237 27.156 32.996 236 HB3 GLN 34 HB3 GLN 34 29.778 27.840 33.497 237 HG2 GLN 34 HG2 GLN 34 28.685 27.854 35.478 238 HG3 GLN 34 HG3 GLN 34 28.306 29.484 34.956 239 HE21 GLN 34 HE21 GLN 34 24.780 28.554 34.375 240 HE22 GLN 34 HE22 GLN 34 25.979 29.676 33.767 Start of MODEL 4 1 H1 GLY 1 H1 GLY 1 28.592 21.746 6.644 2 H2 GLY 1 H2 GLY 1 29.964 22.584 6.982 3 H3 GLY 1 H3 GLY 1 28.489 23.282 7.262 4 HA2 GLY 1 HA2 GLY 1 29.580 20.908 8.627 5 HA3 GLY 1 HA3 GLY 1 29.513 22.549 9.319 6 H SER 2 H SER 2 28.087 22.276 10.955 7 HA SER 2 HA SER 2 25.261 21.942 10.142 8 HB2 SER 2 HB2 SER 2 24.729 20.683 12.189 9 HB3 SER 2 HB3 SER 2 25.780 19.776 11.094 10 HG SER 2 HG SER 2 27.419 19.970 12.419 11 H ALA 3 H ALA 3 23.763 22.908 11.585 12 HA ALA 3 HA ALA 3 24.577 25.482 12.602 13 HB1 ALA 3 HB1 ALA 3 22.226 25.702 13.176 14 HB2 ALA 3 HB2 ALA 3 22.398 25.092 11.522 15 HB3 ALA 3 HB3 ALA 3 21.940 23.980 12.839 16 H CYS 4 H CYS 4 24.593 26.208 14.719 17 HA CYS 4 HA CYS 4 25.762 24.337 16.582 18 HB2 CYS 4 HB2 CYS 4 26.533 26.639 16.228 19 HB3 CYS 4 HB3 CYS 4 25.011 27.271 16.861 20 H GLN 5 H GLN 5 24.795 23.132 18.110 21 HA GLN 5 HA GLN 5 22.007 23.783 18.973 22 HB2 GLN 5 HB2 GLN 5 23.541 21.168 19.088 23 HB3 GLN 5 HB3 GLN 5 21.873 21.452 19.594 24 HG2 GLN 5 HG2 GLN 5 21.207 21.956 17.278 25 HG3 GLN 5 HG3 GLN 5 22.873 21.682 16.732 26 HE21 GLN 5 HE21 GLN 5 22.704 18.101 17.216 27 HE22 GLN 5 HE22 GLN 5 23.829 19.468 17.164 28 H PHE 6 H PHE 6 21.693 24.430 21.065 29 HA PHE 6 HA PHE 6 23.899 24.926 22.761 30 HB2 PHE 6 HB2 PHE 6 22.339 25.523 24.507 31 HB3 PHE 6 HB3 PHE 6 21.808 26.173 22.969 32 HD1 PHE 6 HD1 PHE 6 19.629 25.638 22.082 33 HD2 PHE 6 HD2 PHE 6 21.199 23.479 25.475 34 HE1 PHE 6 HE1 PHE 6 17.438 24.506 22.372 35 HE2 PHE 6 HE2 PHE 6 19.034 22.276 25.697 36 HZ PHE 6 HZ PHE 6 17.146 22.796 24.162 37 H TRP 7 H TRP 7 21.837 21.968 22.646 38 HA TRP 7 HA TRP 7 22.746 20.932 25.117 39 HB2 TRP 7 HB2 TRP 7 21.828 18.913 24.549 40 HB3 TRP 7 HB3 TRP 7 20.834 20.066 23.670 41 HD1 TRP 7 HD1 TRP 7 21.135 20.066 21.005 42 HE1 TRP 7 HE1 TRP 7 22.020 18.317 19.311 43 HE3 TRP 7 HE3 TRP 7 23.581 16.967 24.252 44 HZ2 TRP 7 HZ2 TRP 7 23.710 15.996 19.366 45 HZ3 TRP 7 HZ3 TRP 7 24.824 14.999 23.404 46 HH2 TRP 7 HH2 TRP 7 24.915 14.509 20.974 47 H SER 8 H SER 8 24.253 20.805 21.959 48 HA SER 8 HA SER 8 26.354 18.914 22.673 49 HB2 SER 8 HB2 SER 8 25.398 19.070 20.422 50 HB3 SER 8 HB3 SER 8 25.983 20.736 20.263 51 HG SER 8 HG SER 8 28.033 20.039 20.199 52 H CYS 9 H CYS 9 26.097 22.484 22.312 53 HA CYS 9 HA CYS 9 28.795 23.064 23.140 54 HB2 CYS 9 HB2 CYS 9 26.199 24.612 23.087 55 HB3 CYS 9 HB3 CYS 9 27.612 25.274 23.901 56 H ASN 10 H ASN 10 25.798 22.507 25.015 57 HA ASN 10 HA ASN 10 26.720 23.311 27.537 58 HB2 ASN 10 HB2 ASN 10 24.368 22.822 26.871 59 HB3 ASN 10 HB3 ASN 10 24.734 21.111 26.836 60 HD21 ASN 10 HD21 ASN 10 24.094 20.813 30.274 61 HD22 ASN 10 HD22 ASN 10 24.478 19.990 28.759 62 H SER 11 H SER 11 26.789 19.921 26.215 63 HA SER 11 HA SER 11 28.426 18.982 28.398 64 HB2 SER 11 HB2 SER 11 28.766 16.984 26.994 65 HB3 SER 11 HB3 SER 11 27.074 17.449 27.216 66 HG SER 11 HG SER 11 27.456 16.869 25.110 67 H SER 12 H SER 12 29.290 20.366 25.227 68 HA SER 12 HA SER 12 32.093 19.836 25.315 69 HB2 SER 12 HB2 SER 12 31.117 20.684 23.291 70 HB3 SER 12 HB3 SER 12 30.564 22.160 24.100 71 HG SER 12 HG SER 12 32.759 21.935 22.820 72 H CYS 13 H CYS 13 30.317 22.722 26.545 73 HA CYS 13 HA CYS 13 32.520 23.977 27.831 74 HB2 CYS 13 HB2 CYS 13 29.510 24.012 28.284 75 HB3 CYS 13 HB3 CYS 13 30.614 25.008 29.209 76 H ILE 14 H ILE 14 29.985 21.820 29.291 77 HA ILE 14 HA ILE 14 31.140 21.753 31.842 78 HB ILE 14 HB ILE 14 29.476 19.642 30.427 79 HG12 ILE 14 HG12 ILE 14 28.621 21.635 32.567 80 HG13 ILE 14 HG13 ILE 14 28.532 22.071 30.877 81 HG21 ILE 14 HG21 ILE 14 30.328 20.028 33.312 82 HG22 ILE 14 HG22 ILE 14 29.004 18.929 32.848 83 HG23 ILE 14 HG23 ILE 14 30.648 18.613 32.289 84 HD11 ILE 14 HD11 ILE 14 27.035 20.110 30.455 85 HD12 ILE 14 HD12 ILE 14 27.022 19.787 32.203 86 HD13 ILE 14 HD13 ILE 14 26.364 21.308 31.583 87 H SER 15 H SER 15 32.039 19.666 29.046 88 HA SER 15 HA SER 15 33.844 17.994 30.482 89 HB2 SER 15 HB2 SER 15 33.012 17.577 28.168 90 HB3 SER 15 HB3 SER 15 34.056 18.891 27.591 91 HG SER 15 HG SER 15 35.331 17.162 27.382 92 H ARG 16 H ARG 16 34.264 21.276 29.328 93 HA ARG 16 HA ARG 16 37.186 21.381 29.776 94 HB2 ARG 16 HB2 ARG 16 35.132 23.578 29.245 95 HB3 ARG 16 HB3 ARG 16 36.878 23.801 29.306 96 HG2 ARG 16 HG2 ARG 16 37.215 22.426 27.343 97 HG3 ARG 16 HG3 ARG 16 35.539 21.865 27.404 98 HD2 ARG 16 HD2 ARG 16 35.873 23.522 25.606 99 HD3 ARG 16 HD3 ARG 16 34.671 24.011 26.813 100 HE ARG 16 HE ARG 16 37.393 25.010 27.325 101 HH11 ARG 16 HH11 ARG 16 34.367 25.901 25.713 102 HH12 ARG 16 HH12 ARG 16 34.588 27.572 26.278 103 HH21 ARG 16 HH21 ARG 16 37.578 27.073 27.777 104 HH22 ARG 16 HH22 ARG 16 36.300 28.216 27.286 105 H GLY 17 H GLY 17 34.305 21.966 31.665 106 HA2 GLY 17 HA2 GLY 17 35.028 21.522 34.102 107 HA3 GLY 17 HA3 GLY 17 35.912 23.045 33.949 108 H TYR 18 H TYR 18 33.196 23.581 32.103 109 HA TYR 18 HA TYR 18 32.048 25.217 34.177 110 HB2 TYR 18 HB2 TYR 18 31.326 24.690 31.281 111 HB3 TYR 18 HB3 TYR 18 30.579 25.920 32.268 112 HD1 TYR 18 HD1 TYR 18 31.691 27.986 32.859 113 HD2 TYR 18 HD2 TYR 18 33.753 24.913 30.659 114 HE1 TYR 18 HE1 TYR 18 33.487 29.608 32.293 115 HE2 TYR 18 HE2 TYR 18 35.575 26.545 30.101 116 HH TYR 18 HH TYR 18 35.355 29.977 30.984 117 H ARG 19 H ARG 19 29.417 25.285 33.628 118 HA ARG 19 HA ARG 19 28.199 22.652 34.381 119 HB2 ARG 19 HB2 ARG 19 27.847 25.213 35.973 120 HB3 ARG 19 HB3 ARG 19 26.842 23.788 36.115 121 HG2 ARG 19 HG2 ARG 19 28.191 23.316 37.830 122 HG3 ARG 19 HG3 ARG 19 29.084 22.488 36.571 123 HD2 ARG 19 HD2 ARG 19 30.576 23.743 38.079 124 HD3 ARG 19 HD3 ARG 19 30.684 24.369 36.445 125 HE ARG 19 HE ARG 19 29.876 26.393 37.143 126 HH11 ARG 19 HH11 ARG 19 29.441 24.272 39.926 127 HH12 ARG 19 HH12 ARG 19 28.429 25.462 40.722 128 HH21 ARG 19 HH21 ARG 19 28.639 27.842 38.337 129 HH22 ARG 19 HH22 ARG 19 28.037 27.340 39.911 130 H GLN 20 H GLN 20 28.178 24.911 32.108 131 HA GLN 20 HA GLN 20 25.620 24.320 31.113 132 HB2 GLN 20 HB2 GLN 20 25.230 26.255 32.933 133 HB3 GLN 20 HB3 GLN 20 25.891 27.272 31.665 134 HG2 GLN 20 HG2 GLN 20 23.595 27.443 31.359 135 HG3 GLN 20 HG3 GLN 20 24.025 26.260 30.134 136 HE21 GLN 20 HE21 GLN 20 22.273 23.589 31.882 137 HE22 GLN 20 HE22 GLN 20 23.559 23.862 30.723 138 H GLY 21 H GLY 21 25.298 25.234 28.919 139 HA2 GLY 21 HA2 GLY 21 27.168 27.031 27.797 140 HA3 GLY 21 HA3 GLY 21 27.588 25.398 27.280 141 H TYR 22 H TYR 22 26.696 27.642 25.706 142 HA TYR 22 HA TYR 22 24.544 26.479 24.106 143 HB2 TYR 22 HB2 TYR 22 23.215 28.720 24.393 144 HB3 TYR 22 HB3 TYR 22 23.064 27.435 25.569 145 HD1 TYR 22 HD1 TYR 22 23.411 27.747 27.800 146 HD2 TYR 22 HD2 TYR 22 24.920 30.660 25.011 147 HE1 TYR 22 HE1 TYR 22 24.071 29.247 29.711 148 HE2 TYR 22 HE2 TYR 22 25.561 32.149 26.890 149 HH TYR 22 HH TYR 22 25.551 32.463 29.158 150 H CYS 23 H CYS 23 23.915 28.393 22.375 151 HA CYS 23 HA CYS 23 26.532 28.855 21.086 152 HB2 CYS 23 HB2 CYS 23 23.714 28.886 19.989 153 HB3 CYS 23 HB3 CYS 23 25.182 29.023 19.034 154 H TRP 24 H TRP 24 26.910 30.696 19.781 155 HA TRP 24 HA TRP 24 26.295 33.328 20.920 156 HB2 TRP 24 HB2 TRP 24 27.900 32.298 18.558 157 HB3 TRP 24 HB3 TRP 24 27.656 34.001 18.864 158 HD1 TRP 24 HD1 TRP 24 28.926 31.062 21.068 159 HE1 TRP 24 HE1 TRP 24 31.060 31.799 22.269 160 HE3 TRP 24 HE3 TRP 24 29.198 35.850 19.302 161 HZ2 TRP 24 HZ2 TRP 24 32.720 34.170 22.370 162 HZ3 TRP 24 HZ3 TRP 24 31.118 37.301 19.889 163 HH2 TRP 24 HH2 TRP 24 32.881 36.476 21.439 164 H GLY 25 H GLY 25 25.525 35.091 19.390 165 HA2 GLY 25 HA2 GLY 25 22.951 34.409 18.300 166 HA3 GLY 25 HA3 GLY 25 23.779 35.966 18.150 167 H ILE 26 H ILE 26 25.981 35.419 16.679 168 HA ILE 26 HA ILE 26 25.255 33.883 14.245 169 HB ILE 26 HB ILE 26 25.945 35.679 12.758 170 HG12 ILE 26 HG12 ILE 26 25.851 37.474 15.216 171 HG13 ILE 26 HG13 ILE 26 27.311 36.978 14.355 172 HG21 ILE 26 HG21 ILE 26 23.549 35.196 13.280 173 HG22 ILE 26 HG22 ILE 26 23.574 36.522 14.464 174 HG23 ILE 26 HG23 ILE 26 23.847 36.847 12.740 175 HD11 ILE 26 HD11 ILE 26 26.744 39.212 13.655 176 HD12 ILE 26 HD12 ILE 26 26.443 38.116 12.288 177 HD13 ILE 26 HD13 ILE 26 25.086 38.742 13.257 178 H GLN 27 H GLN 27 27.843 35.124 16.304 179 HA GLN 27 HA GLN 27 29.899 34.107 14.447 180 HB2 GLN 27 HB2 GLN 27 30.097 35.413 17.178 181 HB3 GLN 27 HB3 GLN 27 31.479 34.811 16.259 182 HG2 GLN 27 HG2 GLN 27 30.950 36.346 14.396 183 HG3 GLN 27 HG3 GLN 27 29.604 37.011 15.337 184 HE21 GLN 27 HE21 GLN 27 31.719 38.940 17.472 185 HE22 GLN 27 HE22 GLN 27 30.074 38.405 17.141 186 H TYR 28 H TYR 28 28.707 32.003 14.550 187 HA TYR 28 HA TYR 28 28.711 30.320 16.799 188 HB2 TYR 28 HB2 TYR 28 28.712 29.406 13.917 189 HB3 TYR 28 HB3 TYR 28 27.965 28.604 15.289 190 HD1 TYR 28 HD1 TYR 28 26.287 30.433 16.642 191 HD2 TYR 28 HD2 TYR 28 27.181 30.293 12.419 192 HE1 TYR 28 HE1 TYR 28 24.160 31.611 16.135 193 HE2 TYR 28 HE2 TYR 28 25.060 31.490 11.934 194 HH TYR 28 HH TYR 28 23.074 32.821 14.492 195 H LYS 29 H LYS 29 31.536 31.163 15.254 196 HA LYS 29 HA LYS 29 33.044 28.829 14.958 197 HB2 LYS 29 HB2 LYS 29 35.024 30.267 15.384 198 HB3 LYS 29 HB3 LYS 29 33.878 30.927 14.228 199 HG2 LYS 29 HG2 LYS 29 32.935 32.351 16.150 200 HG3 LYS 29 HG3 LYS 29 34.323 31.825 17.105 201 HD2 LYS 29 HD2 LYS 29 35.853 32.882 15.478 202 HD3 LYS 29 HD3 LYS 29 34.478 33.254 14.410 203 HE2 LYS 29 HE2 LYS 29 33.451 34.546 16.342 204 HE3 LYS 29 HE3 LYS 29 34.974 34.362 17.211 205 HZ1 LYS 29 HZ1 LYS 29 34.696 35.658 14.551 206 HZ2 LYS 29 HZ2 LYS 29 34.737 36.466 15.959 207 HZ3 LYS 29 HZ3 LYS 29 36.070 35.601 15.476 208 H TYR 30 H TYR 30 32.140 30.298 18.051 209 HA TYR 30 HA TYR 30 33.259 27.892 19.414 210 HB2 TYR 30 HB2 TYR 30 33.286 30.635 20.681 211 HB3 TYR 30 HB3 TYR 30 34.029 29.165 21.280 212 HD1 TYR 30 HD1 TYR 30 34.748 32.254 19.971 213 HD2 TYR 30 HD2 TYR 30 35.821 28.113 19.408 214 HE1 TYR 30 HE1 TYR 30 36.915 32.955 18.972 215 HE2 TYR 30 HE2 TYR 30 37.997 28.817 18.419 216 HH TYR 30 HH TYR 30 39.383 30.565 17.974 217 H CYS 31 H CYS 31 32.216 27.475 21.524 218 HA CYS 31 HA CYS 31 29.344 28.182 21.646 219 HB2 CYS 31 HB2 CYS 31 31.190 26.559 23.441 220 HB3 CYS 31 HB3 CYS 31 29.456 26.721 23.686 221 H GLN 32 H GLN 32 28.574 28.835 23.985 222 HA GLN 32 HA GLN 32 30.527 30.537 25.440 223 HB2 GLN 32 HB2 GLN 32 29.050 31.999 24.168 224 HB3 GLN 32 HB3 GLN 32 27.617 31.235 24.866 225 HG2 GLN 32 HG2 GLN 32 28.003 32.166 27.007 226 HG3 GLN 32 HG3 GLN 32 29.724 32.413 26.708 227 HE21 GLN 32 HE21 GLN 32 27.428 35.580 26.122 228 HE22 GLN 32 HE22 GLN 32 27.041 34.239 27.201 229 H CYS 33 H CYS 33 30.808 29.789 27.403 230 HA CYS 33 HA CYS 33 29.084 27.639 28.546 231 HB2 CYS 33 HB2 CYS 33 31.810 28.696 29.363 232 HB3 CYS 33 HB3 CYS 33 31.033 27.191 29.847 233 H GLN 34 H GLN 34 29.339 27.659 31.076 234 HA GLN 34 HA GLN 34 27.340 29.434 31.962 235 HB2 GLN 34 HB2 GLN 34 27.796 27.351 33.076 236 HB3 GLN 34 HB3 GLN 34 29.398 27.856 33.554 237 HG2 GLN 34 HG2 GLN 34 27.114 29.586 34.485 238 HG3 GLN 34 HG3 GLN 34 27.167 27.956 35.135 239 HE21 GLN 34 HE21 GLN 34 30.576 30.010 36.167 240 HE22 GLN 34 HE22 GLN 34 30.138 29.936 34.465 Start of MODEL 5 1 H1 GLY 1 H1 GLY 1 24.352 27.062 5.172 2 H2 GLY 1 H2 GLY 1 24.193 27.645 6.702 3 H3 GLY 1 H3 GLY 1 22.848 27.314 5.802 4 HA2 GLY 1 HA2 GLY 1 23.400 24.970 5.787 5 HA3 GLY 1 HA3 GLY 1 24.810 25.352 6.798 6 H SER 2 H SER 2 23.061 23.501 7.769 7 HA SER 2 HA SER 2 20.822 24.419 9.201 8 HB2 SER 2 HB2 SER 2 22.589 22.075 9.957 9 HB3 SER 2 HB3 SER 2 20.870 22.304 10.337 10 HG SER 2 HG SER 2 20.367 22.068 8.188 11 H ALA 3 H ALA 3 20.409 24.990 11.293 12 HA ALA 3 HA ALA 3 22.354 26.732 12.491 13 HB1 ALA 3 HB1 ALA 3 19.568 25.887 13.393 14 HB2 ALA 3 HB2 ALA 3 20.478 27.290 13.992 15 HB3 ALA 3 HB3 ALA 3 19.945 27.237 12.301 16 H CYS 4 H CYS 4 23.018 26.827 14.691 17 HA CYS 4 HA CYS 4 23.951 24.313 15.787 18 HB2 CYS 4 HB2 CYS 4 25.127 25.639 17.341 19 HB3 CYS 4 HB3 CYS 4 25.195 26.436 15.779 20 H GLN 5 H GLN 5 23.734 23.892 18.199 21 HA GLN 5 HA GLN 5 21.094 24.552 19.369 22 HB2 GLN 5 HB2 GLN 5 22.186 21.725 19.109 23 HB3 GLN 5 HB3 GLN 5 20.763 22.201 20.029 24 HG2 GLN 5 HG2 GLN 5 21.061 22.398 17.009 25 HG3 GLN 5 HG3 GLN 5 20.193 21.150 17.879 26 HE21 GLN 5 HE21 GLN 5 17.646 23.526 16.702 27 HE22 GLN 5 HE22 GLN 5 18.864 22.501 15.934 28 H PHE 6 H PHE 6 21.060 24.512 21.669 29 HA PHE 6 HA PHE 6 23.590 25.104 22.851 30 HB2 PHE 6 HB2 PHE 6 22.432 25.409 24.929 31 HB3 PHE 6 HB3 PHE 6 21.523 26.143 23.631 32 HD1 PHE 6 HD1 PHE 6 21.630 23.155 25.893 33 HD2 PHE 6 HD2 PHE 6 19.231 25.568 23.241 34 HE1 PHE 6 HE1 PHE 6 19.617 21.853 26.525 35 HE2 PHE 6 HE2 PHE 6 17.215 24.311 23.934 36 HZ PHE 6 HZ PHE 6 17.401 22.432 25.555 37 H TRP 7 H TRP 7 21.681 22.057 22.899 38 HA TRP 7 HA TRP 7 22.887 20.875 25.090 39 HB2 TRP 7 HB2 TRP 7 22.036 18.823 24.383 40 HB3 TRP 7 HB3 TRP 7 20.913 20.024 23.782 41 HD1 TRP 7 HD1 TRP 7 20.842 20.374 21.148 42 HE1 TRP 7 HE1 TRP 7 21.736 19.069 19.105 43 HE3 TRP 7 HE3 TRP 7 23.898 17.081 23.588 44 HZ2 TRP 7 HZ2 TRP 7 23.603 16.961 18.603 45 HZ3 TRP 7 HZ3 TRP 7 25.243 15.437 22.291 46 HH2 TRP 7 HH2 TRP 7 25.133 15.390 19.817 47 H SER 8 H SER 8 24.176 20.853 21.772 48 HA SER 8 HA SER 8 26.313 19.014 22.275 49 HB2 SER 8 HB2 SER 8 25.493 19.497 20.038 50 HB3 SER 8 HB3 SER 8 26.061 21.175 20.154 51 HG SER 8 HG SER 8 27.423 18.989 19.425 52 H CYS 9 H CYS 9 26.192 22.595 22.311 53 HA CYS 9 HA CYS 9 28.902 22.991 23.235 54 HB2 CYS 9 HB2 CYS 9 26.387 24.686 23.196 55 HB3 CYS 9 HB3 CYS 9 27.873 25.240 23.968 56 H ASN 10 H ASN 10 25.829 22.359 24.947 57 HA ASN 10 HA ASN 10 26.614 23.141 27.523 58 HB2 ASN 10 HB2 ASN 10 24.302 22.660 26.772 59 HB3 ASN 10 HB3 ASN 10 24.678 20.932 26.743 60 HD21 ASN 10 HD21 ASN 10 23.995 20.596 30.166 61 HD22 ASN 10 HD22 ASN 10 24.256 19.792 28.622 62 H SER 11 H SER 11 26.720 19.773 26.225 63 HA SER 11 HA SER 11 28.255 18.721 28.406 64 HB2 SER 11 HB2 SER 11 28.145 17.783 25.515 65 HB3 SER 11 HB3 SER 11 28.750 16.853 26.901 66 HG SER 11 HG SER 11 26.560 16.355 26.340 67 H SER 12 H SER 12 29.291 20.332 25.387 68 HA SER 12 HA SER 12 32.083 19.735 25.587 69 HB2 SER 12 HB2 SER 12 30.978 20.492 23.540 70 HB3 SER 12 HB3 SER 12 30.641 22.062 24.273 71 HG SER 12 HG SER 12 32.465 21.908 22.847 72 H CYS 13 H CYS 13 30.282 22.695 26.662 73 HA CYS 13 HA CYS 13 32.504 23.925 27.963 74 HB2 CYS 13 HB2 CYS 13 29.500 24.080 28.355 75 HB3 CYS 13 HB3 CYS 13 30.630 25.088 29.236 76 H ILE 14 H ILE 14 29.891 21.805 29.406 77 HA ILE 14 HA ILE 14 31.035 21.815 31.975 78 HB ILE 14 HB ILE 14 29.454 19.581 30.659 79 HG12 ILE 14 HG12 ILE 14 28.425 21.644 32.651 80 HG13 ILE 14 HG13 ILE 14 28.390 22.005 30.937 81 HG21 ILE 14 HG21 ILE 14 30.279 20.263 33.507 82 HG22 ILE 14 HG22 ILE 14 29.006 19.064 33.146 83 HG23 ILE 14 HG23 ILE 14 30.669 18.786 32.608 84 HD11 ILE 14 HD11 ILE 14 26.965 19.678 32.282 85 HD12 ILE 14 HD12 ILE 14 26.237 21.137 31.586 86 HD13 ILE 14 HD13 ILE 14 27.027 19.952 30.526 87 H SER 15 H SER 15 31.896 19.626 29.238 88 HA SER 15 HA SER 15 33.841 18.075 30.559 89 HB2 SER 15 HB2 SER 15 32.996 17.797 28.196 90 HB3 SER 15 HB3 SER 15 34.036 19.140 27.712 91 HG SER 15 HG SER 15 34.628 16.543 28.258 92 H ARG 16 H ARG 16 34.142 21.356 29.258 93 HA ARG 16 HA ARG 16 37.037 21.625 29.648 94 HB2 ARG 16 HB2 ARG 16 34.858 23.715 29.244 95 HB3 ARG 16 HB3 ARG 16 36.586 24.085 29.346 96 HG2 ARG 16 HG2 ARG 16 37.068 22.828 27.354 97 HG3 ARG 16 HG3 ARG 16 35.452 22.112 27.363 98 HD2 ARG 16 HD2 ARG 16 35.707 23.841 25.617 99 HD3 ARG 16 HD3 ARG 16 34.401 24.157 26.761 100 HE ARG 16 HE ARG 16 36.823 25.526 27.589 101 HH11 ARG 16 HH11 ARG 16 34.271 25.821 25.142 102 HH12 ARG 16 HH12 ARG 16 34.444 27.579 25.171 103 HH21 ARG 16 HH21 ARG 16 36.851 27.689 27.538 104 HH22 ARG 16 HH22 ARG 16 35.804 28.567 26.404 105 H GLY 17 H GLY 17 34.235 22.187 31.656 106 HA2 GLY 17 HA2 GLY 17 35.070 21.699 34.079 107 HA3 GLY 17 HA3 GLY 17 35.899 23.252 33.897 108 H TYR 18 H TYR 18 33.119 23.745 32.134 109 HA TYR 18 HA TYR 18 32.039 25.377 34.267 110 HB2 TYR 18 HB2 TYR 18 31.188 24.860 31.402 111 HB3 TYR 18 HB3 TYR 18 30.615 26.174 32.390 112 HD1 TYR 18 HD1 TYR 18 33.123 25.145 30.105 113 HD2 TYR 18 HD2 TYR 18 32.491 27.766 33.450 114 HE1 TYR 18 HE1 TYR 18 35.136 26.461 29.446 115 HE2 TYR 18 HE2 TYR 18 34.476 29.114 32.767 116 HH TYR 18 HH TYR 18 35.888 29.521 30.599 117 H ARG 19 H ARG 19 29.368 25.442 33.645 118 HA ARG 19 HA ARG 19 28.241 22.825 34.583 119 HB2 ARG 19 HB2 ARG 19 27.434 25.579 35.611 120 HB3 ARG 19 HB3 ARG 19 26.597 24.067 35.929 121 HG2 ARG 19 HG2 ARG 19 27.765 24.279 37.837 122 HG3 ARG 19 HG3 ARG 19 28.854 23.226 36.933 123 HD2 ARG 19 HD2 ARG 19 30.353 25.084 36.475 124 HD3 ARG 19 HD3 ARG 19 29.127 26.258 36.993 125 HE ARG 19 HE ARG 19 29.970 24.310 39.025 126 HH11 ARG 19 HH11 ARG 19 30.675 27.487 37.770 127 HH12 ARG 19 HH12 ARG 19 31.191 28.121 39.310 128 HH21 ARG 19 HH21 ARG 19 30.711 25.032 40.891 129 HH22 ARG 19 HH22 ARG 19 31.274 26.683 41.100 130 H GLN 20 H GLN 20 28.211 25.150 32.158 131 HA GLN 20 HA GLN 20 25.902 24.095 30.891 132 HB2 GLN 20 HB2 GLN 20 25.121 26.005 32.642 133 HB3 GLN 20 HB3 GLN 20 25.665 27.071 31.332 134 HG2 GLN 20 HG2 GLN 20 24.137 25.799 29.760 135 HG3 GLN 20 HG3 GLN 20 23.669 24.770 31.106 136 HE21 GLN 20 HE21 GLN 20 20.829 26.884 31.141 137 HE22 GLN 20 HE22 GLN 20 21.471 25.299 30.722 138 H GLY 21 H GLY 21 25.582 25.024 28.714 139 HA2 GLY 21 HA2 GLY 21 27.603 26.753 27.627 140 HA3 GLY 21 HA3 GLY 21 27.839 25.074 27.136 141 H TYR 22 H TYR 22 27.188 27.418 25.539 142 HA TYR 22 HA TYR 22 24.817 26.504 24.067 143 HB2 TYR 22 HB2 TYR 22 23.872 28.945 24.408 144 HB3 TYR 22 HB3 TYR 22 23.544 27.627 25.520 145 HD1 TYR 22 HD1 TYR 22 24.201 27.646 27.783 146 HD2 TYR 22 HD2 TYR 22 25.482 30.776 25.115 147 HE1 TYR 22 HE1 TYR 22 25.135 28.921 29.728 148 HE2 TYR 22 HE2 TYR 22 26.345 32.065 27.069 149 HH TYR 22 HH TYR 22 26.356 30.721 30.368 150 H CYS 23 H CYS 23 24.290 28.161 22.267 151 HA CYS 23 HA CYS 23 26.897 28.827 20.963 152 HB2 CYS 23 HB2 CYS 23 26.187 27.738 18.998 153 HB3 CYS 23 HB3 CYS 23 25.943 26.626 20.328 154 H TRP 24 H TRP 24 26.595 30.073 18.896 155 HA TRP 24 HA TRP 24 25.094 32.553 19.587 156 HB2 TRP 24 HB2 TRP 24 27.520 32.063 17.844 157 HB3 TRP 24 HB3 TRP 24 26.874 33.627 18.275 158 HD1 TRP 24 HD1 TRP 24 29.263 31.023 19.458 159 HE1 TRP 24 HE1 TRP 24 30.425 31.820 21.601 160 HE3 TRP 24 HE3 TRP 24 26.178 34.948 20.649 161 HZ2 TRP 24 HZ2 TRP 24 30.223 34.039 23.422 162 HZ3 TRP 24 HZ3 TRP 24 26.717 36.396 22.602 163 HH2 TRP 24 HH2 TRP 24 28.753 35.980 23.959 164 H GLY 25 H GLY 25 25.248 33.916 17.216 165 HA2 GLY 25 HA2 GLY 25 23.113 32.953 15.554 166 HA3 GLY 25 HA3 GLY 25 24.148 34.349 15.255 167 H ILE 26 H ILE 26 25.959 34.130 13.907 168 HA ILE 26 HA ILE 26 26.272 31.566 12.389 169 HB ILE 26 HB ILE 26 26.064 32.852 10.253 170 HG12 ILE 26 HG12 ILE 26 24.516 34.951 11.815 171 HG13 ILE 26 HG13 ILE 26 26.227 35.151 11.478 172 HG21 ILE 26 HG21 ILE 26 23.662 32.639 10.118 173 HG22 ILE 26 HG22 ILE 26 24.293 31.339 11.125 174 HG23 ILE 26 HG23 ILE 26 23.495 32.730 11.880 175 HD11 ILE 26 HD11 ILE 26 25.796 34.955 9.039 176 HD12 ILE 26 HD12 ILE 26 24.054 34.824 9.372 177 HD13 ILE 26 HD13 ILE 26 24.930 36.309 9.786 178 H GLN 27 H GLN 27 27.880 34.398 13.589 179 HA GLN 27 HA GLN 27 30.378 33.534 12.181 180 HB2 GLN 27 HB2 GLN 27 29.645 36.400 12.826 181 HB3 GLN 27 HB3 GLN 27 31.097 35.827 12.010 182 HG2 GLN 27 HG2 GLN 27 28.255 35.850 10.946 183 HG3 GLN 27 HG3 GLN 27 29.602 36.822 10.409 184 HE21 GLN 27 HE21 GLN 27 29.118 34.215 7.852 185 HE22 GLN 27 HE22 GLN 27 28.184 35.557 8.527 186 H TYR 28 H TYR 28 31.045 32.258 13.871 187 HA TYR 28 HA TYR 28 32.256 33.566 16.193 188 HB2 TYR 28 HB2 TYR 28 31.057 32.174 17.821 189 HB3 TYR 28 HB3 TYR 28 29.974 33.261 16.997 190 HD1 TYR 28 HD1 TYR 28 30.750 29.767 17.721 191 HD2 TYR 28 HD2 TYR 28 28.423 32.399 15.201 192 HE1 TYR 28 HE1 TYR 28 29.213 27.880 17.156 193 HE2 TYR 28 HE2 TYR 28 26.922 30.504 14.601 194 HH TYR 28 HH TYR 28 26.324 28.397 15.106 195 H LYS 29 H LYS 29 33.648 32.103 17.393 196 HA LYS 29 HA LYS 29 34.577 29.778 15.719 197 HB2 LYS 29 HB2 LYS 29 36.846 30.368 16.422 198 HB3 LYS 29 HB3 LYS 29 36.045 31.583 15.433 199 HG2 LYS 29 HG2 LYS 29 35.654 32.978 17.443 200 HG3 LYS 29 HG3 LYS 29 36.427 31.731 18.455 201 HD2 LYS 29 HD2 LYS 29 38.491 31.975 17.056 202 HD3 LYS 29 HD3 LYS 29 37.699 33.282 16.146 203 HE2 LYS 29 HE2 LYS 29 37.458 34.558 18.293 204 HE3 LYS 29 HE3 LYS 29 38.307 33.249 19.128 205 HZ1 LYS 29 HZ1 LYS 29 39.389 35.046 17.041 206 HZ2 LYS 29 HZ2 LYS 29 39.963 34.843 18.582 207 HZ3 LYS 29 HZ3 LYS 29 40.154 33.654 17.457 208 H TYR 30 H TYR 30 33.480 30.450 18.906 209 HA TYR 30 HA TYR 30 33.969 27.619 19.598 210 HB2 TYR 30 HB2 TYR 30 34.755 29.911 21.437 211 HB3 TYR 30 HB3 TYR 30 34.770 28.214 21.862 212 HD1 TYR 30 HD1 TYR 30 36.851 30.857 20.981 213 HD2 TYR 30 HD2 TYR 30 36.218 26.669 20.132 214 HE1 TYR 30 HE1 TYR 30 39.236 30.627 20.303 215 HE2 TYR 30 HE2 TYR 30 38.603 26.452 19.443 216 HH TYR 30 HH TYR 30 40.589 27.587 19.007 217 H CYS 31 H CYS 31 32.709 26.997 21.612 218 HA CYS 31 HA CYS 31 30.009 28.129 21.670 219 HB2 CYS 31 HB2 CYS 31 31.481 26.179 23.478 220 HB3 CYS 31 HB3 CYS 31 29.784 26.587 23.658 221 H GLN 32 H GLN 32 29.010 28.962 23.687 222 HA GLN 32 HA GLN 32 30.873 30.531 25.420 223 HB2 GLN 32 HB2 GLN 32 29.091 31.771 24.055 224 HB3 GLN 32 HB3 GLN 32 27.900 31.007 25.110 225 HG2 GLN 32 HG2 GLN 32 29.134 31.997 27.097 226 HG3 GLN 32 HG3 GLN 32 30.244 32.764 25.954 227 HE21 GLN 32 HE21 GLN 32 28.058 35.484 26.771 228 HE22 GLN 32 HE22 GLN 32 29.568 34.675 27.214 229 H CYS 33 H CYS 33 30.647 30.284 27.706 230 HA CYS 33 HA CYS 33 29.198 27.778 28.593 231 HB2 CYS 33 HB2 CYS 33 32.016 28.675 29.265 232 HB3 CYS 33 HB3 CYS 33 31.199 27.199 29.770 233 H GLN 34 H GLN 34 29.015 27.484 30.805 234 HA GLN 34 HA GLN 34 27.803 28.070 32.660 235 HB2 GLN 34 HB2 GLN 34 30.251 28.118 33.207 236 HB3 GLN 34 HB3 GLN 34 30.212 29.877 33.118 237 HG2 GLN 34 HG2 GLN 34 28.689 29.982 35.018 238 HG3 GLN 34 HG3 GLN 34 28.400 28.243 34.952 239 HE21 GLN 34 HE21 GLN 34 31.588 29.601 37.030 240 HE22 GLN 34 HE22 GLN 34 30.233 30.603 36.580 Start of MODEL 6 1 H1 GLY 1 H1 GLY 1 27.804 24.027 8.315 2 H2 GLY 1 H2 GLY 1 26.675 24.946 7.545 3 H3 GLY 1 H3 GLY 1 26.475 24.546 9.134 4 HA2 GLY 1 HA2 GLY 1 28.689 26.173 8.091 5 HA3 GLY 1 HA3 GLY 1 27.222 26.850 8.819 6 H SER 2 H SER 2 29.096 27.784 10.226 7 HA SER 2 HA SER 2 30.131 25.965 12.299 8 HB2 SER 2 HB2 SER 2 31.161 28.065 13.169 9 HB3 SER 2 HB3 SER 2 31.584 27.679 11.495 10 HG SER 2 HG SER 2 30.957 29.647 11.163 11 H ALA 3 H ALA 3 27.168 27.670 11.915 12 HA ALA 3 HA ALA 3 26.464 28.250 14.588 13 HB1 ALA 3 HB1 ALA 3 24.736 27.163 12.322 14 HB2 ALA 3 HB2 ALA 3 24.146 28.005 13.773 15 HB3 ALA 3 HB3 ALA 3 25.145 28.870 12.590 16 H CYS 4 H CYS 4 24.950 27.040 16.009 17 HA CYS 4 HA CYS 4 25.129 24.104 15.950 18 HB2 CYS 4 HB2 CYS 4 26.255 24.007 18.131 19 HB3 CYS 4 HB3 CYS 4 27.252 24.711 16.878 20 H GLN 5 H GLN 5 24.115 23.113 17.875 21 HA GLN 5 HA GLN 5 21.713 24.581 18.894 22 HB2 GLN 5 HB2 GLN 5 22.390 21.612 18.865 23 HB3 GLN 5 HB3 GLN 5 20.879 22.326 19.396 24 HG2 GLN 5 HG2 GLN 5 21.994 21.999 16.608 25 HG3 GLN 5 HG3 GLN 5 20.441 21.457 17.230 26 HE21 GLN 5 HE21 GLN 5 20.607 24.892 15.207 27 HE22 GLN 5 HE22 GLN 5 21.642 23.490 15.034 28 H PHE 6 H PHE 6 21.624 25.075 21.107 29 HA PHE 6 HA PHE 6 23.874 25.173 22.633 30 HB2 PHE 6 HB2 PHE 6 22.490 25.677 24.568 31 HB3 PHE 6 HB3 PHE 6 21.829 26.427 23.129 32 HD1 PHE 6 HD1 PHE 6 19.586 25.887 22.359 33 HD2 PHE 6 HD2 PHE 6 21.389 23.653 25.581 34 HE1 PHE 6 HE1 PHE 6 17.410 24.786 22.829 35 HE2 PHE 6 HE2 PHE 6 19.227 22.525 26.011 36 HZ PHE 6 HZ PHE 6 17.226 23.098 24.641 37 H TRP 7 H TRP 7 21.765 22.257 22.617 38 HA TRP 7 HA TRP 7 23.044 21.023 24.858 39 HB2 TRP 7 HB2 TRP 7 22.005 19.051 24.272 40 HB3 TRP 7 HB3 TRP 7 20.880 20.339 23.871 41 HD1 TRP 7 HD1 TRP 7 22.411 20.703 20.858 42 HE1 TRP 7 HE1 TRP 7 21.760 19.038 19.013 43 HE3 TRP 7 HE3 TRP 7 20.329 17.071 23.787 44 HZ2 TRP 7 HZ2 TRP 7 20.454 16.478 18.850 45 HZ3 TRP 7 HZ3 TRP 7 19.334 15.045 22.753 46 HH2 TRP 7 HH2 TRP 7 19.393 14.738 20.287 47 H SER 8 H SER 8 24.169 21.406 21.607 48 HA SER 8 HA SER 8 26.415 19.519 21.807 49 HB2 SER 8 HB2 SER 8 25.993 21.754 19.808 50 HB3 SER 8 HB3 SER 8 27.034 20.341 19.637 51 HG SER 8 HG SER 8 24.870 20.425 18.607 52 H CYS 9 H CYS 9 25.852 22.518 23.227 53 HA CYS 9 HA CYS 9 28.781 23.054 23.492 54 HB2 CYS 9 HB2 CYS 9 26.366 24.860 23.753 55 HB3 CYS 9 HB3 CYS 9 27.990 25.316 24.263 56 H ASN 10 H ASN 10 25.751 22.415 25.305 57 HA ASN 10 HA ASN 10 26.667 23.202 27.838 58 HB2 ASN 10 HB2 ASN 10 24.340 22.821 27.315 59 HB3 ASN 10 HB3 ASN 10 24.604 21.109 27.071 60 HD21 ASN 10 HD21 ASN 10 23.822 22.376 30.777 61 HD22 ASN 10 HD22 ASN 10 23.646 23.433 29.367 62 H SER 11 H SER 11 26.570 19.686 26.880 63 HA SER 11 HA SER 11 28.293 18.889 29.017 64 HB2 SER 11 HB2 SER 11 27.729 17.496 26.377 65 HB3 SER 11 HB3 SER 11 28.546 16.774 27.777 66 HG SER 11 HG SER 11 25.872 17.675 27.526 67 H SER 12 H SER 12 29.081 20.022 25.749 68 HA SER 12 HA SER 12 31.886 19.433 25.754 69 HB2 SER 12 HB2 SER 12 30.663 20.190 23.759 70 HB3 SER 12 HB3 SER 12 30.378 21.763 24.511 71 HG SER 12 HG SER 12 32.740 20.642 23.494 72 H CYS 13 H CYS 13 30.218 22.483 26.811 73 HA CYS 13 HA CYS 13 32.485 23.701 28.008 74 HB2 CYS 13 HB2 CYS 13 29.497 23.937 28.394 75 HB3 CYS 13 HB3 CYS 13 30.614 24.880 29.358 76 H ILE 14 H ILE 14 30.017 21.517 29.578 77 HA ILE 14 HA ILE 14 31.337 21.582 32.096 78 HB ILE 14 HB ILE 14 29.752 19.250 30.962 79 HG12 ILE 14 HG12 ILE 14 28.759 21.407 32.851 80 HG13 ILE 14 HG13 ILE 14 28.579 21.624 31.132 81 HG21 ILE 14 HG21 ILE 14 30.651 20.138 33.742 82 HG22 ILE 14 HG22 ILE 14 29.425 18.875 33.497 83 HG23 ILE 14 HG23 ILE 14 31.079 18.622 32.929 84 HD11 ILE 14 HD11 ILE 14 26.526 20.747 32.031 85 HD12 ILE 14 HD12 ILE 14 27.269 19.521 30.986 86 HD13 ILE 14 HD13 ILE 14 27.359 19.361 32.755 87 H SER 15 H SER 15 32.048 19.511 29.265 88 HA SER 15 HA SER 15 34.112 17.955 30.504 89 HB2 SER 15 HB2 SER 15 33.804 18.666 27.573 90 HB3 SER 15 HB3 SER 15 34.795 17.367 28.257 91 HG SER 15 HG SER 15 31.972 17.648 28.285 92 H ARG 16 H ARG 16 34.140 21.236 29.403 93 HA ARG 16 HA ARG 16 37.086 21.588 29.629 94 HB2 ARG 16 HB2 ARG 16 34.852 23.593 29.133 95 HB3 ARG 16 HB3 ARG 16 36.581 23.958 29.133 96 HG2 ARG 16 HG2 ARG 16 36.961 22.592 27.182 97 HG3 ARG 16 HG3 ARG 16 35.350 21.873 27.331 98 HD2 ARG 16 HD2 ARG 16 35.419 23.432 25.479 99 HD3 ARG 16 HD3 ARG 16 34.249 23.897 26.719 100 HE ARG 16 HE ARG 16 36.845 25.226 27.031 101 HH11 ARG 16 HH11 ARG 16 33.893 25.407 25.084 102 HH12 ARG 16 HH12 ARG 16 34.067 27.156 24.945 103 HH21 ARG 16 HH21 ARG 16 36.812 27.490 26.874 104 HH22 ARG 16 HH22 ARG 16 35.621 28.230 25.848 105 H GLY 17 H GLY 17 34.260 21.933 31.649 106 HA2 GLY 17 HA2 GLY 17 34.891 21.470 34.011 107 HA3 GLY 17 HA3 GLY 17 36.049 22.798 33.903 108 H TYR 18 H TYR 18 33.168 23.547 32.166 109 HA TYR 18 HA TYR 18 32.174 25.307 34.295 110 HB2 TYR 18 HB2 TYR 18 31.384 24.827 31.403 111 HB3 TYR 18 HB3 TYR 18 30.748 26.097 32.417 112 HD1 TYR 18 HD1 TYR 18 33.726 24.916 30.609 113 HD2 TYR 18 HD2 TYR 18 32.074 28.067 33.024 114 HE1 TYR 18 HE1 TYR 18 35.615 26.419 29.934 115 HE2 TYR 18 HE2 TYR 18 33.954 29.558 32.364 116 HH TYR 18 HH TYR 18 36.057 29.643 31.356 117 H ARG 19 H ARG 19 29.490 25.317 33.604 118 HA ARG 19 HA ARG 19 28.360 22.649 34.399 119 HB2 ARG 19 HB2 ARG 19 27.791 25.283 35.789 120 HB3 ARG 19 HB3 ARG 19 26.825 23.826 35.950 121 HG2 ARG 19 HG2 ARG 19 28.131 23.561 37.774 122 HG3 ARG 19 HG3 ARG 19 29.046 22.621 36.607 123 HD2 ARG 19 HD2 ARG 19 30.568 23.957 37.928 124 HD3 ARG 19 HD3 ARG 19 30.596 24.594 36.307 125 HE ARG 19 HE ARG 19 29.593 26.558 37.029 126 HH11 ARG 19 HH11 ARG 19 29.683 24.283 39.752 127 HH12 ARG 19 HH12 ARG 19 29.129 25.531 40.855 128 HH21 ARG 19 HH21 ARG 19 28.771 27.988 38.526 129 HH22 ARG 19 HH22 ARG 19 28.727 27.500 40.222 130 H GLN 20 H GLN 20 28.264 25.032 32.135 131 HA GLN 20 HA GLN 20 25.703 24.386 31.023 132 HB2 GLN 20 HB2 GLN 20 25.519 26.296 33.023 133 HB3 GLN 20 HB3 GLN 20 25.833 27.321 31.629 134 HG2 GLN 20 HG2 GLN 20 23.842 26.488 30.507 135 HG3 GLN 20 HG3 GLN 20 23.650 25.191 31.693 136 HE21 GLN 20 HE21 GLN 20 21.141 27.363 33.010 137 HE22 GLN 20 HE22 GLN 20 21.436 25.900 32.076 138 H GLY 21 H GLY 21 25.351 25.443 28.927 139 HA2 GLY 21 HA2 GLY 21 27.409 26.993 27.741 140 HA3 GLY 21 HA3 GLY 21 27.664 25.301 27.320 141 H TYR 22 H TYR 22 26.845 27.764 25.772 142 HA TYR 22 HA TYR 22 24.564 26.682 24.252 143 HB2 TYR 22 HB2 TYR 22 23.560 29.157 24.619 144 HB3 TYR 22 HB3 TYR 22 23.161 27.767 25.610 145 HD1 TYR 22 HD1 TYR 22 23.248 27.900 27.892 146 HD2 TYR 22 HD2 TYR 22 25.683 30.575 25.567 147 HE1 TYR 22 HE1 TYR 22 23.973 29.063 29.992 148 HE2 TYR 22 HE2 TYR 22 26.488 31.661 27.671 149 HH TYR 22 HH TYR 22 26.412 31.691 29.938 150 H CYS 23 H CYS 23 23.998 28.030 22.362 151 HA CYS 23 HA CYS 23 26.478 28.852 20.983 152 HB2 CYS 23 HB2 CYS 23 23.673 28.264 19.988 153 HB3 CYS 23 HB3 CYS 23 25.061 28.630 18.961 154 H TRP 24 H TRP 24 26.660 30.762 19.776 155 HA TRP 24 HA TRP 24 25.339 33.165 20.834 156 HB2 TRP 24 HB2 TRP 24 27.477 32.590 18.754 157 HB3 TRP 24 HB3 TRP 24 26.776 34.180 18.949 158 HD1 TRP 24 HD1 TRP 24 28.971 31.703 20.867 159 HE1 TRP 24 HE1 TRP 24 30.301 32.989 22.683 160 HE3 TRP 24 HE3 TRP 24 26.636 36.250 20.544 161 HZ2 TRP 24 HZ2 TRP 24 30.379 35.635 23.768 162 HZ3 TRP 24 HZ3 TRP 24 27.361 38.135 21.982 163 HH2 TRP 24 HH2 TRP 24 29.217 37.839 23.605 164 H GLY 25 H GLY 25 24.245 34.724 19.417 165 HA2 GLY 25 HA2 GLY 25 22.133 33.537 17.931 166 HA3 GLY 25 HA3 GLY 25 22.514 35.263 18.013 167 H ILE 26 H ILE 26 24.865 35.537 16.775 168 HA ILE 26 HA ILE 26 24.792 34.155 14.125 169 HB ILE 26 HB ILE 26 25.192 36.250 12.969 170 HG12 ILE 26 HG12 ILE 26 24.426 37.694 15.534 171 HG13 ILE 26 HG13 ILE 26 26.093 37.498 14.990 172 HG21 ILE 26 HG21 ILE 26 22.578 36.368 14.525 173 HG22 ILE 26 HG22 ILE 26 22.897 36.985 12.896 174 HG23 ILE 26 HG23 ILE 26 22.898 35.245 13.186 175 HD11 ILE 26 HD11 ILE 26 25.648 38.719 12.933 176 HD12 ILE 26 HD12 ILE 26 23.939 38.923 13.389 177 HD13 ILE 26 HD13 ILE 26 25.207 39.688 14.350 178 H GLN 27 H GLN 27 26.642 35.209 16.735 179 HA GLN 27 HA GLN 27 29.103 35.699 15.309 180 HB2 GLN 27 HB2 GLN 27 28.638 35.642 18.324 181 HB3 GLN 27 HB3 GLN 27 29.954 36.402 17.442 182 HG2 GLN 27 HG2 GLN 27 28.701 38.232 17.936 183 HG3 GLN 27 HG3 GLN 27 28.044 37.873 16.349 184 HE21 GLN 27 HE21 GLN 27 25.335 38.428 19.023 185 HE22 GLN 27 HE22 GLN 27 26.755 39.394 18.583 186 H TYR 28 H TYR 28 28.791 33.299 14.539 187 HA TYR 28 HA TYR 28 29.259 31.150 16.289 188 HB2 TYR 28 HB2 TYR 28 29.612 31.194 13.294 189 HB3 TYR 28 HB3 TYR 28 29.187 29.797 14.292 190 HD1 TYR 28 HD1 TYR 28 27.808 31.190 11.795 191 HD2 TYR 28 HD2 TYR 28 27.020 31.124 16.034 192 HE1 TYR 28 HE1 TYR 28 25.424 31.729 11.366 193 HE2 TYR 28 HE2 TYR 28 24.663 31.693 15.601 194 HH TYR 28 HH TYR 28 23.177 32.433 14.019 195 H LYS 29 H LYS 29 31.609 32.878 16.627 196 HA LYS 29 HA LYS 29 33.944 31.530 15.540 197 HB2 LYS 29 HB2 LYS 29 33.674 33.150 18.118 198 HB3 LYS 29 HB3 LYS 29 35.160 32.467 17.491 199 HG2 LYS 29 HG2 LYS 29 35.355 34.599 16.766 200 HG3 LYS 29 HG3 LYS 29 34.703 33.818 15.325 201 HD2 LYS 29 HD2 LYS 29 32.469 34.758 15.800 202 HD3 LYS 29 HD3 LYS 29 33.021 35.320 17.388 203 HE2 LYS 29 HE2 LYS 29 33.036 37.236 16.001 204 HE3 LYS 29 HE3 LYS 29 34.727 36.773 16.233 205 HZ1 LYS 29 HZ1 LYS 29 34.337 37.304 13.957 206 HZ2 LYS 29 HZ2 LYS 29 34.606 35.698 13.993 207 HZ3 LYS 29 HZ3 LYS 29 33.052 36.272 13.851 208 H TYR 30 H TYR 30 32.224 31.122 18.687 209 HA TYR 30 HA TYR 30 32.937 28.266 18.811 210 HB2 TYR 30 HB2 TYR 30 33.874 30.263 20.924 211 HB3 TYR 30 HB3 TYR 30 34.034 28.516 21.025 212 HD1 TYR 30 HD1 TYR 30 35.681 31.533 20.049 213 HD2 TYR 30 HD2 TYR 30 35.424 27.329 19.158 214 HE1 TYR 30 HE1 TYR 30 37.900 31.628 18.945 215 HE2 TYR 30 HE2 TYR 30 37.644 27.430 18.065 216 HH TYR 30 HH TYR 30 39.637 30.362 18.074 217 H CYS 31 H CYS 31 32.078 27.341 20.985 218 HA CYS 31 HA CYS 31 29.369 28.188 21.611 219 HB2 CYS 31 HB2 CYS 31 31.386 26.419 23.066 220 HB3 CYS 31 HB3 CYS 31 29.732 26.645 23.610 221 H GLN 32 H GLN 32 28.686 28.925 23.824 222 HA GLN 32 HA GLN 32 30.755 30.471 25.340 223 HB2 GLN 32 HB2 GLN 32 29.117 31.948 24.197 224 HB3 GLN 32 HB3 GLN 32 27.806 31.120 25.036 225 HG2 GLN 32 HG2 GLN 32 28.895 31.795 27.232 226 HG3 GLN 32 HG3 GLN 32 30.067 32.725 26.299 227 HE21 GLN 32 HE21 GLN 32 27.133 34.865 27.453 228 HE22 GLN 32 HE22 GLN 32 28.058 33.659 28.337 229 H CYS 33 H CYS 33 31.132 29.649 27.296 230 HA CYS 33 HA CYS 33 29.298 27.625 28.532 231 HB2 CYS 33 HB2 CYS 33 32.053 28.598 29.360 232 HB3 CYS 33 HB3 CYS 33 31.175 27.173 29.929 233 H GLN 34 H GLN 34 29.484 27.815 31.070 234 HA GLN 34 HA GLN 34 27.392 29.563 31.687 235 HB2 GLN 34 HB2 GLN 34 27.913 27.497 32.851 236 HB3 GLN 34 HB3 GLN 34 29.398 28.171 33.476 237 HG2 GLN 34 HG2 GLN 34 26.962 29.735 34.193 238 HG3 GLN 34 HG3 GLN 34 26.937 28.074 34.765 239 HE21 GLN 34 HE21 GLN 34 30.004 30.384 36.293 240 HE22 GLN 34 HE22 GLN 34 29.752 30.393 34.549 Start of MODEL 7 1 H1 GLY 1 H1 GLY 1 28.070 24.996 14.386 2 H2 GLY 1 H2 GLY 1 28.599 26.528 14.011 3 H3 GLY 1 H3 GLY 1 29.665 25.290 14.096 4 HA2 GLY 1 HA2 GLY 1 29.289 25.772 11.807 5 HA3 GLY 1 HA3 GLY 1 28.564 24.201 12.205 6 H SER 2 H SER 2 27.193 24.623 10.295 7 HA SER 2 HA SER 2 25.498 26.954 10.335 8 HB2 SER 2 HB2 SER 2 24.676 26.261 8.220 9 HB3 SER 2 HB3 SER 2 26.435 26.115 8.288 10 HG SER 2 HG SER 2 25.518 24.369 7.264 11 H ALA 3 H ALA 3 25.056 24.064 11.956 12 HA ALA 3 HA ALA 3 22.304 24.869 12.613 13 HB1 ALA 3 HB1 ALA 3 21.357 22.621 12.241 14 HB2 ALA 3 HB2 ALA 3 21.951 23.333 10.729 15 HB3 ALA 3 HB3 ALA 3 22.911 22.084 11.551 16 H CYS 4 H CYS 4 23.989 25.458 14.363 17 HA CYS 4 HA CYS 4 24.868 23.361 16.184 18 HB2 CYS 4 HB2 CYS 4 26.041 25.499 15.825 19 HB3 CYS 4 HB3 CYS 4 24.712 26.364 16.586 20 H GLN 5 H GLN 5 24.099 22.844 18.229 21 HA GLN 5 HA GLN 5 21.431 23.877 19.094 22 HB2 GLN 5 HB2 GLN 5 22.435 21.018 19.329 23 HB3 GLN 5 HB3 GLN 5 20.865 21.614 19.800 24 HG2 GLN 5 HG2 GLN 5 21.992 21.190 17.011 25 HG3 GLN 5 HG3 GLN 5 20.634 20.359 17.753 26 HE21 GLN 5 HE21 GLN 5 19.541 22.995 15.208 27 HE22 GLN 5 HE22 GLN 5 20.648 21.628 15.159 28 H PHE 6 H PHE 6 21.332 24.456 21.294 29 HA PHE 6 HA PHE 6 23.675 24.926 22.651 30 HB2 PHE 6 HB2 PHE 6 22.466 25.498 24.639 31 HB3 PHE 6 HB3 PHE 6 21.581 26.064 23.260 32 HD1 PHE 6 HD1 PHE 6 19.289 25.389 22.878 33 HD2 PHE 6 HD2 PHE 6 21.665 23.393 25.880 34 HE1 PHE 6 HE1 PHE 6 17.271 24.205 23.706 35 HE2 PHE 6 HE2 PHE 6 19.666 22.157 26.642 36 HZ PHE 6 HZ PHE 6 17.454 22.566 25.568 37 H TRP 7 H TRP 7 21.739 21.910 23.046 38 HA TRP 7 HA TRP 7 22.994 20.957 25.345 39 HB2 TRP 7 HB2 TRP 7 22.105 18.868 24.879 40 HB3 TRP 7 HB3 TRP 7 20.980 20.004 24.159 41 HD1 TRP 7 HD1 TRP 7 20.944 20.055 21.466 42 HE1 TRP 7 HE1 TRP 7 21.713 18.405 19.640 43 HE3 TRP 7 HE3 TRP 7 23.799 16.947 24.348 44 HZ2 TRP 7 HZ2 TRP 7 23.218 15.948 19.498 45 HZ3 TRP 7 HZ3 TRP 7 24.856 14.931 23.351 46 HH2 TRP 7 HH2 TRP 7 24.543 14.402 20.950 47 H SER 8 H SER 8 24.207 20.788 22.021 48 HA SER 8 HA SER 8 26.386 18.974 22.587 49 HB2 SER 8 HB2 SER 8 25.407 19.376 20.321 50 HB3 SER 8 HB3 SER 8 26.170 20.975 20.322 51 HG SER 8 HG SER 8 27.324 18.404 20.248 52 H CYS 9 H CYS 9 26.155 22.562 22.390 53 HA CYS 9 HA CYS 9 28.890 23.078 23.200 54 HB2 CYS 9 HB2 CYS 9 26.351 24.726 23.239 55 HB3 CYS 9 HB3 CYS 9 27.893 25.338 23.832 56 H ASN 10 H ASN 10 25.841 22.676 25.061 57 HA ASN 10 HA ASN 10 26.809 23.421 27.608 58 HB2 ASN 10 HB2 ASN 10 24.400 22.948 26.781 59 HB3 ASN 10 HB3 ASN 10 24.725 21.247 27.089 60 HD21 ASN 10 HD21 ASN 10 24.309 21.659 30.604 61 HD22 ASN 10 HD22 ASN 10 24.773 20.543 29.321 62 H SER 11 H SER 11 26.644 20.161 26.140 63 HA SER 11 HA SER 11 28.032 18.743 28.163 64 HB2 SER 11 HB2 SER 11 28.142 18.119 25.191 65 HB3 SER 11 HB3 SER 11 28.337 17.007 26.562 66 HG SER 11 HG SER 11 25.961 18.366 25.731 67 H SER 12 H SER 12 29.327 20.418 25.261 68 HA SER 12 HA SER 12 32.082 19.726 25.625 69 HB2 SER 12 HB2 SER 12 31.250 20.654 23.524 70 HB3 SER 12 HB3 SER 12 30.791 22.159 24.332 71 HG SER 12 HG SER 12 33.368 21.114 23.812 72 H CYS 13 H CYS 13 30.291 22.686 26.702 73 HA CYS 13 HA CYS 13 32.455 23.866 28.092 74 HB2 CYS 13 HB2 CYS 13 29.448 24.057 28.311 75 HB3 CYS 13 HB3 CYS 13 30.519 24.990 29.352 76 H ILE 14 H ILE 14 29.877 21.684 29.465 77 HA ILE 14 HA ILE 14 31.068 21.594 32.035 78 HB ILE 14 HB ILE 14 29.498 19.401 30.639 79 HG12 ILE 14 HG12 ILE 14 28.455 21.386 32.701 80 HG13 ILE 14 HG13 ILE 14 28.376 21.785 30.999 81 HG21 ILE 14 HG21 ILE 14 30.270 20.000 33.527 82 HG22 ILE 14 HG22 ILE 14 29.069 18.757 33.073 83 HG23 ILE 14 HG23 ILE 14 30.755 18.587 32.583 84 HD11 ILE 14 HD11 ILE 14 26.268 20.843 31.726 85 HD12 ILE 14 HD12 ILE 14 27.038 19.753 30.551 86 HD13 ILE 14 HD13 ILE 14 27.058 19.368 32.287 87 H SER 15 H SER 15 31.870 19.640 29.136 88 HA SER 15 HA SER 15 33.879 18.021 30.354 89 HB2 SER 15 HB2 SER 15 33.906 18.994 27.479 90 HB3 SER 15 HB3 SER 15 34.704 17.563 28.156 91 HG SER 15 HG SER 15 31.889 18.025 28.014 92 H ARG 16 H ARG 16 34.006 21.393 29.393 93 HA ARG 16 HA ARG 16 36.936 21.645 29.745 94 HB2 ARG 16 HB2 ARG 16 34.745 23.709 29.324 95 HB3 ARG 16 HB3 ARG 16 36.463 24.085 29.444 96 HG2 ARG 16 HG2 ARG 16 36.954 22.919 27.403 97 HG3 ARG 16 HG3 ARG 16 35.363 22.144 27.412 98 HD2 ARG 16 HD2 ARG 16 35.464 23.901 25.718 99 HD3 ARG 16 HD3 ARG 16 34.230 24.204 26.948 100 HE ARG 16 HE ARG 16 36.652 25.567 27.675 101 HH11 ARG 16 HH11 ARG 16 34.206 25.844 25.123 102 HH12 ARG 16 HH12 ARG 16 34.485 27.574 25.038 103 HH21 ARG 16 HH21 ARG 16 36.523 27.793 27.731 104 HH22 ARG 16 HH22 ARG 16 35.429 28.628 26.693 105 H GLY 17 H GLY 17 34.154 21.785 31.790 106 HA2 GLY 17 HA2 GLY 17 34.871 21.319 34.171 107 HA3 GLY 17 HA3 GLY 17 35.813 22.817 34.075 108 H TYR 18 H TYR 18 33.058 23.418 32.269 109 HA TYR 18 HA TYR 18 31.989 25.102 34.391 110 HB2 TYR 18 HB2 TYR 18 31.302 24.733 31.457 111 HB3 TYR 18 HB3 TYR 18 30.628 25.957 32.480 112 HD1 TYR 18 HD1 TYR 18 31.763 27.979 33.016 113 HD2 TYR 18 HD2 TYR 18 33.828 24.802 30.981 114 HE1 TYR 18 HE1 TYR 18 33.648 29.521 32.532 115 HE2 TYR 18 HE2 TYR 18 35.752 26.346 30.533 116 HH TYR 18 HH TYR 18 36.444 28.633 30.563 117 H ARG 19 H ARG 19 29.353 25.295 33.677 118 HA ARG 19 HA ARG 19 27.998 22.707 34.275 119 HB2 ARG 19 HB2 ARG 19 27.642 25.201 35.964 120 HB3 ARG 19 HB3 ARG 19 26.554 23.829 35.961 121 HG2 ARG 19 HG2 ARG 19 27.774 23.132 37.707 122 HG3 ARG 19 HG3 ARG 19 28.792 22.454 36.451 123 HD2 ARG 19 HD2 ARG 19 30.290 23.495 37.897 124 HD3 ARG 19 HD3 ARG 19 30.143 24.678 36.594 125 HE ARG 19 HE ARG 19 28.236 25.565 38.340 126 HH11 ARG 19 HH11 ARG 19 31.645 24.913 38.816 127 HH12 ARG 19 HH12 ARG 19 31.690 25.838 40.296 128 HH21 ARG 19 HH21 ARG 19 28.399 26.799 40.095 129 HH22 ARG 19 HH22 ARG 19 29.925 26.901 40.989 130 H GLN 20 H GLN 20 28.215 25.048 32.097 131 HA GLN 20 HA GLN 20 25.630 24.606 31.003 132 HB2 GLN 20 HB2 GLN 20 25.224 26.419 32.774 133 HB3 GLN 20 HB3 GLN 20 26.194 27.504 31.777 134 HG2 GLN 20 HG2 GLN 20 24.614 27.461 29.999 135 HG3 GLN 20 HG3 GLN 20 23.878 25.975 30.574 136 HE21 GLN 20 HE21 GLN 20 21.392 28.477 31.379 137 HE22 GLN 20 HE22 GLN 20 22.009 27.536 30.001 138 H GLY 21 H GLY 21 25.435 25.521 28.793 139 HA2 GLY 21 HA2 GLY 21 27.370 27.214 27.695 140 HA3 GLY 21 HA3 GLY 21 27.812 25.564 27.229 141 H TYR 22 H TYR 22 27.211 27.508 25.378 142 HA TYR 22 HA TYR 22 24.868 26.502 23.917 143 HB2 TYR 22 HB2 TYR 22 23.923 28.973 23.946 144 HB3 TYR 22 HB3 TYR 22 23.563 27.809 25.205 145 HD1 TYR 22 HD1 TYR 22 23.945 28.194 27.380 146 HD2 TYR 22 HD2 TYR 22 25.934 30.655 24.485 147 HE1 TYR 22 HE1 TYR 22 24.871 29.629 29.250 148 HE2 TYR 22 HE2 TYR 22 26.866 32.079 26.324 149 HH TYR 22 HH TYR 22 27.287 32.110 28.628 150 H CYS 23 H CYS 23 24.416 27.732 21.947 151 HA CYS 23 HA CYS 23 26.879 28.250 20.409 152 HB2 CYS 23 HB2 CYS 23 23.988 28.184 19.509 153 HB3 CYS 23 HB3 CYS 23 25.406 28.014 18.498 154 H TRP 24 H TRP 24 26.531 29.937 18.609 155 HA TRP 24 HA TRP 24 25.065 32.362 19.479 156 HB2 TRP 24 HB2 TRP 24 27.897 32.266 18.465 157 HB3 TRP 24 HB3 TRP 24 26.970 33.748 18.725 158 HD1 TRP 24 HD1 TRP 24 29.111 31.239 20.459 159 HE1 TRP 24 HE1 TRP 24 29.277 31.723 22.968 160 HE3 TRP 24 HE3 TRP 24 25.515 34.843 20.836 161 HZ2 TRP 24 HZ2 TRP 24 28.120 33.587 24.882 162 HZ3 TRP 24 HZ3 TRP 24 25.043 35.938 23.025 163 HH2 TRP 24 HH2 TRP 24 26.358 35.327 25.039 164 H GLY 25 H GLY 25 23.614 31.006 17.990 165 HA2 GLY 25 HA2 GLY 25 22.326 31.265 16.075 166 HA3 GLY 25 HA3 GLY 25 23.427 32.548 15.574 167 H ILE 26 H ILE 26 24.409 32.182 13.720 168 HA ILE 26 HA ILE 26 25.001 29.397 12.819 169 HB ILE 26 HB ILE 26 22.868 30.216 11.909 170 HG12 ILE 26 HG12 ILE 26 25.004 29.876 9.780 171 HG13 ILE 26 HG13 ILE 26 24.326 28.580 10.785 172 HG21 ILE 26 HG21 ILE 26 24.478 32.299 10.366 173 HG22 ILE 26 HG22 ILE 26 22.746 31.964 10.213 174 HG23 ILE 26 HG23 ILE 26 23.359 32.645 11.706 175 HD11 ILE 26 HD11 ILE 26 22.072 29.036 9.839 176 HD12 ILE 26 HD12 ILE 26 22.805 30.232 8.742 177 HD13 ILE 26 HD13 ILE 26 23.262 28.527 8.627 178 H GLN 27 H GLN 27 25.881 32.828 12.489 179 HA GLN 27 HA GLN 27 28.512 32.032 11.309 180 HB2 GLN 27 HB2 GLN 27 27.216 33.527 9.938 181 HB3 GLN 27 HB3 GLN 27 26.962 34.653 11.265 182 HG2 GLN 27 HG2 GLN 27 29.235 35.392 11.240 183 HG3 GLN 27 HG3 GLN 27 29.752 34.001 10.288 184 HE21 GLN 27 HE21 GLN 27 29.792 36.460 7.664 185 HE22 GLN 27 HE22 GLN 27 30.799 35.759 8.921 186 H TYR 28 H TYR 28 29.630 31.432 13.107 187 HA TYR 28 HA TYR 28 30.682 33.412 14.899 188 HB2 TYR 28 HB2 TYR 28 29.821 32.694 16.979 189 HB3 TYR 28 HB3 TYR 28 28.408 32.903 15.964 190 HD1 TYR 28 HD1 TYR 28 30.412 30.591 17.917 191 HD2 TYR 28 HD2 TYR 28 27.239 30.845 15.027 192 HE1 TYR 28 HE1 TYR 28 30.034 28.137 18.126 193 HE2 TYR 28 HE2 TYR 28 26.811 28.413 15.281 194 HH TYR 28 HH TYR 28 29.073 26.318 17.150 195 H LYS 29 H LYS 29 32.357 32.540 16.256 196 HA LYS 29 HA LYS 29 33.889 30.469 14.896 197 HB2 LYS 29 HB2 LYS 29 34.474 32.284 17.274 198 HB3 LYS 29 HB3 LYS 29 35.667 31.230 16.510 199 HG2 LYS 29 HG2 LYS 29 35.610 32.406 14.454 200 HG3 LYS 29 HG3 LYS 29 34.177 33.340 14.909 201 HD2 LYS 29 HD2 LYS 29 36.845 33.589 16.354 202 HD3 LYS 29 HD3 LYS 29 36.317 34.596 15.002 203 HE2 LYS 29 HE2 LYS 29 34.222 35.144 16.336 204 HE3 LYS 29 HE3 LYS 29 35.022 34.416 17.736 205 HZ1 LYS 29 HZ1 LYS 29 36.825 36.033 17.453 206 HZ2 LYS 29 HZ2 LYS 29 36.108 36.656 16.115 207 HZ3 LYS 29 HZ3 LYS 29 35.391 36.837 17.579 208 H TYR 30 H TYR 30 32.674 30.794 18.268 209 HA TYR 30 HA TYR 30 32.965 27.910 18.711 210 HB2 TYR 30 HB2 TYR 30 34.403 28.459 20.806 211 HB3 TYR 30 HB3 TYR 30 35.161 28.369 19.225 212 HD1 TYR 30 HD1 TYR 30 36.589 30.070 18.520 213 HD2 TYR 30 HD2 TYR 30 33.748 30.902 21.646 214 HE1 TYR 30 HE1 TYR 30 37.592 32.322 18.843 215 HE2 TYR 30 HE2 TYR 30 34.784 33.143 21.964 216 HH TYR 30 HH TYR 30 36.182 34.841 20.735 217 H CYS 31 H CYS 31 32.033 27.127 20.610 218 HA CYS 31 HA CYS 31 29.642 28.354 21.536 219 HB2 CYS 31 HB2 CYS 31 31.433 26.292 22.894 220 HB3 CYS 31 HB3 CYS 31 29.771 26.610 23.340 221 H GLN 32 H GLN 32 29.153 28.873 23.853 222 HA GLN 32 HA GLN 32 31.452 29.796 25.473 223 HB2 GLN 32 HB2 GLN 32 28.982 31.453 24.890 224 HB3 GLN 32 HB3 GLN 32 29.941 31.705 26.328 225 HG2 GLN 32 HG2 GLN 32 31.011 31.945 23.486 226 HG3 GLN 32 HG3 GLN 32 30.617 33.290 24.560 227 HE21 GLN 32 HE21 GLN 32 34.316 32.470 24.565 228 HE22 GLN 32 HE22 GLN 32 33.123 33.113 23.410 229 H CYS 33 H CYS 33 30.968 30.017 27.732 230 HA CYS 33 HA CYS 33 29.278 27.704 28.649 231 HB2 CYS 33 HB2 CYS 33 32.025 28.564 29.601 232 HB3 CYS 33 HB3 CYS 33 31.135 27.122 30.037 233 H GLN 34 H GLN 34 29.561 27.738 31.258 234 HA GLN 34 HA GLN 34 27.527 29.454 32.076 235 HB2 GLN 34 HB2 GLN 34 28.132 27.394 33.277 236 HB3 GLN 34 HB3 GLN 34 29.638 28.141 33.839 237 HG2 GLN 34 HG2 GLN 34 28.342 29.854 35.080 238 HG3 GLN 34 HG3 GLN 34 26.843 29.191 34.436 239 HE21 GLN 34 HE21 GLN 34 26.590 27.116 37.275 240 HE22 GLN 34 HE22 GLN 34 25.784 28.013 35.979 Start of MODEL 8 1 H1 GLY 1 H1 GLY 1 27.302 17.713 9.192 2 H2 GLY 1 H2 GLY 1 28.391 18.937 8.996 3 H3 GLY 1 H3 GLY 1 26.899 19.045 8.322 4 HA2 GLY 1 HA2 GLY 1 25.882 19.083 10.537 5 HA3 GLY 1 HA3 GLY 1 27.520 19.030 11.206 6 H SER 2 H SER 2 25.288 20.969 9.211 7 HA SER 2 HA SER 2 27.126 23.289 9.342 8 HB2 SER 2 HB2 SER 2 25.808 24.301 7.721 9 HB3 SER 2 HB3 SER 2 26.004 22.610 7.227 10 HG SER 2 HG SER 2 23.890 22.363 7.350 11 H ALA 3 H ALA 3 24.843 22.167 11.421 12 HA ALA 3 HA ALA 3 23.918 24.867 12.291 13 HB1 ALA 3 HB1 ALA 3 21.867 23.716 13.055 14 HB2 ALA 3 HB2 ALA 3 22.145 23.467 11.321 15 HB3 ALA 3 HB3 ALA 3 22.520 22.169 12.473 16 H CYS 4 H CYS 4 23.403 25.158 14.536 17 HA CYS 4 HA CYS 4 24.931 23.426 16.436 18 HB2 CYS 4 HB2 CYS 4 26.081 25.562 16.179 19 HB3 CYS 4 HB3 CYS 4 24.597 26.432 16.592 20 H GLN 5 H GLN 5 24.009 22.939 18.370 21 HA GLN 5 HA GLN 5 21.336 23.985 19.091 22 HB2 GLN 5 HB2 GLN 5 22.077 21.026 18.861 23 HB3 GLN 5 HB3 GLN 5 20.733 21.645 19.788 24 HG2 GLN 5 HG2 GLN 5 19.675 21.078 17.825 25 HG3 GLN 5 HG3 GLN 5 19.909 22.802 17.619 26 HE21 GLN 5 HE21 GLN 5 20.720 21.429 14.342 27 HE22 GLN 5 HE22 GLN 5 19.436 22.121 15.308 28 H PHE 6 H PHE 6 21.204 24.464 21.244 29 HA PHE 6 HA PHE 6 23.565 24.893 22.595 30 HB2 PHE 6 HB2 PHE 6 22.255 25.431 24.591 31 HB3 PHE 6 HB3 PHE 6 21.605 26.153 23.143 32 HD1 PHE 6 HD1 PHE 6 19.336 25.832 22.508 33 HD2 PHE 6 HD2 PHE 6 21.078 23.404 25.620 34 HE1 PHE 6 HE1 PHE 6 17.094 24.915 23.046 35 HE2 PHE 6 HE2 PHE 6 18.849 22.409 26.079 36 HZ PHE 6 HZ PHE 6 16.850 23.177 24.810 37 H TRP 7 H TRP 7 21.562 21.961 22.970 38 HA TRP 7 HA TRP 7 22.696 21.025 25.363 39 HB2 TRP 7 HB2 TRP 7 21.710 18.971 24.910 40 HB3 TRP 7 HB3 TRP 7 20.663 20.147 24.123 41 HD1 TRP 7 HD1 TRP 7 20.583 20.107 21.503 42 HE1 TRP 7 HE1 TRP 7 21.462 18.507 19.654 43 HE3 TRP 7 HE3 TRP 7 23.666 17.180 24.347 44 HZ2 TRP 7 HZ2 TRP 7 23.253 16.295 19.463 45 HZ3 TRP 7 HZ3 TRP 7 25.032 15.404 23.282 46 HH2 TRP 7 HH2 TRP 7 24.839 14.958 20.847 47 H SER 8 H SER 8 24.008 20.793 22.067 48 HA SER 8 HA SER 8 26.045 18.833 22.777 49 HB2 SER 8 HB2 SER 8 24.997 18.998 20.533 50 HB3 SER 8 HB3 SER 8 25.828 20.539 20.278 51 HG SER 8 HG SER 8 27.111 18.055 20.894 52 H CYS 9 H CYS 9 25.971 22.386 22.418 53 HA CYS 9 HA CYS 9 28.778 22.796 23.073 54 HB2 CYS 9 HB2 CYS 9 26.288 24.515 23.072 55 HB3 CYS 9 HB3 CYS 9 27.754 25.084 23.863 56 H ASN 10 H ASN 10 25.788 22.453 25.004 57 HA ASN 10 HA ASN 10 26.798 23.316 27.474 58 HB2 ASN 10 HB2 ASN 10 24.405 22.884 26.804 59 HB3 ASN 10 HB3 ASN 10 24.698 21.157 26.976 60 HD21 ASN 10 HD21 ASN 10 23.756 23.273 30.201 61 HD22 ASN 10 HD22 ASN 10 23.579 23.878 28.560 62 H SER 11 H SER 11 26.742 19.922 26.243 63 HA SER 11 HA SER 11 28.137 18.798 28.488 64 HB2 SER 11 HB2 SER 11 28.478 16.880 26.918 65 HB3 SER 11 HB3 SER 11 26.787 17.417 27.030 66 HG SER 11 HG SER 11 27.748 17.053 24.847 67 H SER 12 H SER 12 29.263 20.183 25.406 68 HA SER 12 HA SER 12 32.044 19.580 25.621 69 HB2 SER 12 HB2 SER 12 31.096 20.428 23.549 70 HB3 SER 12 HB3 SER 12 30.611 21.937 24.330 71 HG SER 12 HG SER 12 33.206 20.983 23.770 72 H CYS 13 H CYS 13 30.327 22.622 26.602 73 HA CYS 13 HA CYS 13 32.479 23.855 27.899 74 HB2 CYS 13 HB2 CYS 13 29.473 23.950 28.309 75 HB3 CYS 13 HB3 CYS 13 30.580 25.016 29.153 76 H ILE 14 H ILE 14 29.959 21.691 29.436 77 HA ILE 14 HA ILE 14 31.172 21.841 31.996 78 HB ILE 14 HB ILE 14 29.611 19.504 30.849 79 HG12 ILE 14 HG12 ILE 14 28.541 21.596 32.771 80 HG13 ILE 14 HG13 ILE 14 28.484 21.924 31.048 81 HG21 ILE 14 HG21 ILE 14 30.554 20.348 33.616 82 HG22 ILE 14 HG22 ILE 14 29.221 19.193 33.410 83 HG23 ILE 14 HG23 ILE 14 30.837 18.794 32.806 84 HD11 ILE 14 HD11 ILE 14 26.385 20.925 31.869 85 HD12 ILE 14 HD12 ILE 14 27.171 19.911 30.636 86 HD13 ILE 14 HD13 ILE 14 27.251 19.461 32.348 87 H SER 15 H SER 15 31.972 19.583 29.299 88 HA SER 15 HA SER 15 33.896 18.078 30.776 89 HB2 SER 15 HB2 SER 15 33.021 17.271 28.675 90 HB3 SER 15 HB3 SER 15 33.698 18.653 27.800 91 HG SER 15 HG SER 15 35.228 16.751 29.281 92 H ARG 16 H ARG 16 34.168 21.267 29.310 93 HA ARG 16 HA ARG 16 37.090 21.492 29.637 94 HB2 ARG 16 HB2 ARG 16 34.926 23.610 29.237 95 HB3 ARG 16 HB3 ARG 16 36.652 23.937 29.282 96 HG2 ARG 16 HG2 ARG 16 37.039 22.583 27.294 97 HG3 ARG 16 HG3 ARG 16 35.368 21.993 27.348 98 HD2 ARG 16 HD2 ARG 16 35.652 23.649 25.586 99 HD3 ARG 16 HD3 ARG 16 34.477 24.160 26.802 100 HE ARG 16 HE ARG 16 37.097 25.218 27.423 101 HH11 ARG 16 HH11 ARG 16 34.553 25.682 25.018 102 HH12 ARG 16 HH12 ARG 16 34.898 27.409 24.929 103 HH21 ARG 16 HH21 ARG 16 37.381 27.475 27.222 104 HH22 ARG 16 HH22 ARG 16 36.646 28.252 25.845 105 H GLY 17 H GLY 17 34.281 22.164 31.633 106 HA2 GLY 17 HA2 GLY 17 35.195 21.757 34.090 107 HA3 GLY 17 HA3 GLY 17 35.901 23.355 33.814 108 H TYR 18 H TYR 18 33.159 23.710 32.099 109 HA TYR 18 HA TYR 18 32.051 25.348 34.195 110 HB2 TYR 18 HB2 TYR 18 31.315 24.854 31.293 111 HB3 TYR 18 HB3 TYR 18 30.684 26.160 32.258 112 HD1 TYR 18 HD1 TYR 18 32.511 27.642 33.524 113 HD2 TYR 18 HD2 TYR 18 33.316 25.222 30.064 114 HE1 TYR 18 HE1 TYR 18 34.487 29.040 33.021 115 HE2 TYR 18 HE2 TYR 18 35.342 26.616 29.566 116 HH TYR 18 HH TYR 18 36.384 29.208 31.790 117 H ARG 19 H ARG 19 29.379 25.467 33.434 118 HA ARG 19 HA ARG 19 28.126 22.934 34.425 119 HB2 ARG 19 HB2 ARG 19 27.680 25.756 35.478 120 HB3 ARG 19 HB3 ARG 19 26.671 24.358 35.845 121 HG2 ARG 19 HG2 ARG 19 27.977 24.259 37.672 122 HG3 ARG 19 HG3 ARG 19 28.978 23.280 36.602 123 HD2 ARG 19 HD2 ARG 19 30.225 25.479 36.043 124 HD3 ARG 19 HD3 ARG 19 29.325 26.213 37.382 125 HE ARG 19 HE ARG 19 30.395 23.912 38.462 126 HH11 ARG 19 HH11 ARG 19 31.927 26.741 36.941 127 HH12 ARG 19 HH12 ARG 19 33.468 26.327 37.687 128 HH21 ARG 19 HH21 ARG 19 32.435 23.514 39.276 129 HH22 ARG 19 HH22 ARG 19 33.706 24.679 38.920 130 H GLN 20 H GLN 20 28.153 25.243 31.993 131 HA GLN 20 HA GLN 20 25.589 24.540 30.874 132 HB2 GLN 20 HB2 GLN 20 25.112 26.400 32.590 133 HB3 GLN 20 HB3 GLN 20 26.181 27.411 31.657 134 HG2 GLN 20 HG2 GLN 20 24.061 28.106 31.091 135 HG3 GLN 20 HG3 GLN 20 24.521 27.156 29.704 136 HE21 GLN 20 HE21 GLN 20 20.990 26.356 30.684 137 HE22 GLN 20 HE22 GLN 20 21.831 27.864 30.373 138 H GLY 21 H GLY 21 25.351 25.405 28.651 139 HA2 GLY 21 HA2 GLY 21 27.304 27.067 27.558 140 HA3 GLY 21 HA3 GLY 21 27.708 25.425 27.065 141 H TYR 22 H TYR 22 27.043 27.544 25.324 142 HA TYR 22 HA TYR 22 24.929 26.402 23.674 143 HB2 TYR 22 HB2 TYR 22 23.600 28.621 23.735 144 HB3 TYR 22 HB3 TYR 22 23.387 27.462 25.030 145 HD1 TYR 22 HD1 TYR 22 25.046 30.728 24.216 146 HD2 TYR 22 HD2 TYR 22 23.803 27.950 27.275 147 HE1 TYR 22 HE1 TYR 22 25.573 32.414 25.974 148 HE2 TYR 22 HE2 TYR 22 24.345 29.609 29.029 149 HH TYR 22 HH TYR 22 25.721 32.836 28.237 150 H CYS 23 H CYS 23 24.623 27.713 21.630 151 HA CYS 23 HA CYS 23 27.166 28.995 20.778 152 HB2 CYS 23 HB2 CYS 23 24.723 27.981 19.325 153 HB3 CYS 23 HB3 CYS 23 25.832 29.109 18.554 154 H TRP 24 H TRP 24 27.166 31.042 19.722 155 HA TRP 24 HA TRP 24 25.690 33.108 21.069 156 HB2 TRP 24 HB2 TRP 24 27.503 33.134 18.650 157 HB3 TRP 24 HB3 TRP 24 26.918 34.573 19.429 158 HD1 TRP 24 HD1 TRP 24 29.369 31.665 20.104 159 HE1 TRP 24 HE1 TRP 24 31.032 32.405 21.910 160 HE3 TRP 24 HE3 TRP 24 27.317 36.214 21.291 161 HZ2 TRP 24 HZ2 TRP 24 31.393 34.629 23.683 162 HZ3 TRP 24 HZ3 TRP 24 28.362 37.627 23.060 163 HH2 TRP 24 HH2 TRP 24 30.393 36.848 24.252 164 H GLY 25 H GLY 25 24.498 31.179 18.622 165 HA2 GLY 25 HA2 GLY 25 22.532 31.359 17.402 166 HA3 GLY 25 HA3 GLY 25 22.336 32.987 18.040 167 H ILE 26 H ILE 26 24.524 34.325 17.078 168 HA ILE 26 HA ILE 26 24.444 34.102 14.087 169 HB ILE 26 HB ILE 26 24.162 36.558 15.847 170 HG12 ILE 26 HG12 ILE 26 22.288 35.720 13.601 171 HG13 ILE 26 HG13 ILE 26 22.077 35.101 15.236 172 HG21 ILE 26 HG21 ILE 26 24.069 37.873 13.687 173 HG22 ILE 26 HG22 ILE 26 25.645 37.215 14.053 174 HG23 ILE 26 HG23 ILE 26 24.612 36.422 12.832 175 HD11 ILE 26 HD11 ILE 26 22.009 38.047 14.493 176 HD12 ILE 26 HD12 ILE 26 20.642 37.012 14.918 177 HD13 ILE 26 HD13 ILE 26 21.873 37.377 16.139 178 H GLN 27 H GLN 27 26.367 34.173 13.113 179 HA GLN 27 HA GLN 27 28.603 34.307 12.734 180 HB2 GLN 27 HB2 GLN 27 27.527 36.657 12.722 181 HB3 GLN 27 HB3 GLN 27 28.371 36.932 14.227 182 HG2 GLN 27 HG2 GLN 27 29.842 37.807 12.679 183 HG3 GLN 27 HG3 GLN 27 30.523 36.204 12.915 184 HE21 GLN 27 HE21 GLN 27 30.617 36.340 9.316 185 HE22 GLN 27 HE22 GLN 27 31.570 36.655 10.759 186 H TYR 28 H TYR 28 29.236 32.499 14.129 187 HA TYR 28 HA TYR 28 31.235 33.288 16.166 188 HB2 TYR 28 HB2 TYR 28 30.296 31.686 17.812 189 HB3 TYR 28 HB3 TYR 28 29.241 33.038 17.455 190 HD1 TYR 28 HD1 TYR 28 27.060 32.674 16.449 191 HD2 TYR 28 HD2 TYR 28 29.798 29.380 16.909 192 HE1 TYR 28 HE1 TYR 28 25.286 31.101 15.727 193 HE2 TYR 28 HE2 TYR 28 28.037 27.817 16.135 194 HH TYR 28 HH TYR 28 24.812 28.968 15.035 195 H LYS 29 H LYS 29 32.717 31.758 16.792 196 HA LYS 29 HA LYS 29 33.053 29.353 15.025 197 HB2 LYS 29 HB2 LYS 29 35.257 30.841 16.479 198 HB3 LYS 29 HB3 LYS 29 35.410 29.651 15.181 199 HG2 LYS 29 HG2 LYS 29 34.262 31.325 13.637 200 HG3 LYS 29 HG3 LYS 29 34.337 32.490 14.971 201 HD2 LYS 29 HD2 LYS 29 36.900 31.941 15.014 202 HD3 LYS 29 HD3 LYS 29 36.609 31.289 13.380 203 HE2 LYS 29 HE2 LYS 29 35.511 33.497 12.795 204 HE3 LYS 29 HE3 LYS 29 35.937 34.081 14.409 205 HZ1 LYS 29 HZ1 LYS 29 37.788 33.335 12.222 206 HZ2 LYS 29 HZ2 LYS 29 37.610 34.811 12.957 207 HZ3 LYS 29 HZ3 LYS 29 38.309 33.576 13.776 208 H TYR 30 H TYR 30 32.468 30.259 18.273 209 HA TYR 30 HA TYR 30 33.199 27.555 19.271 210 HB2 TYR 30 HB2 TYR 30 34.009 30.200 20.542 211 HB3 TYR 30 HB3 TYR 30 34.243 28.612 21.259 212 HD1 TYR 30 HD1 TYR 30 35.612 26.872 19.861 213 HD2 TYR 30 HD2 TYR 30 35.747 31.133 19.224 214 HE1 TYR 30 HE1 TYR 30 37.808 26.627 18.713 215 HE2 TYR 30 HE2 TYR 30 37.923 30.889 18.049 216 HH TYR 30 HH TYR 30 39.520 27.692 17.664 217 H CYS 31 H CYS 31 32.296 27.051 21.353 218 HA CYS 31 HA CYS 31 29.564 28.048 21.761 219 HB2 CYS 31 HB2 CYS 31 31.338 26.212 23.418 220 HB3 CYS 31 HB3 CYS 31 29.620 26.458 23.676 221 H GLN 32 H GLN 32 28.852 29.061 23.706 222 HA GLN 32 HA GLN 32 30.872 30.524 25.353 223 HB2 GLN 32 HB2 GLN 32 29.375 32.090 24.358 224 HB3 GLN 32 HB3 GLN 32 27.977 31.063 24.646 225 HG2 GLN 32 HG2 GLN 32 27.920 32.964 26.113 226 HG3 GLN 32 HG3 GLN 32 28.071 31.491 27.048 227 HE21 GLN 32 HE21 GLN 32 30.219 33.885 28.733 228 HE22 GLN 32 HE22 GLN 32 28.518 33.766 28.322 229 H CYS 33 H CYS 33 30.750 30.212 27.636 230 HA CYS 33 HA CYS 33 29.277 27.739 28.538 231 HB2 CYS 33 HB2 CYS 33 32.192 28.446 29.026 232 HB3 CYS 33 HB3 CYS 33 31.340 27.019 29.569 233 H GLN 34 H GLN 34 29.110 27.457 30.770 234 HA GLN 34 HA GLN 34 28.016 28.140 32.631 235 HB2 GLN 34 HB2 GLN 34 30.314 27.996 33.380 236 HB3 GLN 34 HB3 GLN 34 30.549 29.731 33.129 237 HG2 GLN 34 HG2 GLN 34 29.012 30.271 34.877 238 HG3 GLN 34 HG3 GLN 34 28.312 28.657 34.899 239 HE21 GLN 34 HE21 GLN 34 30.720 29.260 37.795 240 HE22 GLN 34 HE22 GLN 34 29.361 30.184 37.147 Start of MODEL 9 1 H1 GLY 1 H1 GLY 1 25.346 24.914 9.416 2 H2 GLY 1 H2 GLY 1 26.968 25.141 9.344 3 H3 GLY 1 H3 GLY 1 26.109 25.644 10.672 4 HA2 GLY 1 HA2 GLY 1 26.520 22.857 9.805 5 HA3 GLY 1 HA3 GLY 1 27.300 23.636 11.200 6 H SER 2 H SER 2 26.420 22.874 13.019 7 HA SER 2 HA SER 2 23.962 21.567 13.369 8 HB2 SER 2 HB2 SER 2 25.907 21.485 14.907 9 HB3 SER 2 HB3 SER 2 25.575 23.160 15.394 10 HG SER 2 HG SER 2 24.306 22.323 16.808 11 H ALA 3 H ALA 3 21.975 22.159 14.441 12 HA ALA 3 HA ALA 3 20.920 24.697 13.552 13 HB1 ALA 3 HB1 ALA 3 19.670 22.455 15.190 14 HB2 ALA 3 HB2 ALA 3 18.797 23.771 14.384 15 HB3 ALA 3 HB3 ALA 3 19.688 22.578 13.423 16 H CYS 4 H CYS 4 22.954 25.277 15.480 17 HA CYS 4 HA CYS 4 23.459 26.296 17.444 18 HB2 CYS 4 HB2 CYS 4 21.692 27.820 15.899 19 HB3 CYS 4 HB3 CYS 4 21.114 28.052 17.532 20 H GLN 5 H GLN 5 21.989 23.860 17.935 21 HA GLN 5 HA GLN 5 20.147 24.296 20.181 22 HB2 GLN 5 HB2 GLN 5 21.521 21.759 19.216 23 HB3 GLN 5 HB3 GLN 5 20.230 21.854 20.387 24 HG2 GLN 5 HG2 GLN 5 20.036 22.510 17.427 25 HG3 GLN 5 HG3 GLN 5 19.422 21.068 18.217 26 HE21 GLN 5 HE21 GLN 5 17.183 24.485 18.261 27 HE22 GLN 5 HE22 GLN 5 18.834 24.514 17.666 28 H PHE 6 H PHE 6 20.686 24.319 22.336 29 HA PHE 6 HA PHE 6 23.354 24.976 23.017 30 HB2 PHE 6 HB2 PHE 6 22.575 25.186 25.279 31 HB3 PHE 6 HB3 PHE 6 21.422 25.905 24.179 32 HD1 PHE 6 HD1 PHE 6 22.069 22.761 26.177 33 HD2 PHE 6 HD2 PHE 6 19.122 25.386 24.430 34 HE1 PHE 6 HE1 PHE 6 20.265 21.366 27.135 35 HE2 PHE 6 HE2 PHE 6 17.324 24.056 25.493 36 HZ PHE 6 HZ PHE 6 17.882 22.018 26.808 37 H TRP 7 H TRP 7 21.654 21.825 23.268 38 HA TRP 7 HA TRP 7 23.236 20.634 25.218 39 HB2 TRP 7 HB2 TRP 7 22.449 18.553 24.503 40 HB3 TRP 7 HB3 TRP 7 21.164 19.697 24.170 41 HD1 TRP 7 HD1 TRP 7 20.655 20.212 21.626 42 HE1 TRP 7 HE1 TRP 7 21.254 19.047 19.375 43 HE3 TRP 7 HE3 TRP 7 24.191 16.933 23.318 44 HZ2 TRP 7 HZ2 TRP 7 22.976 16.950 18.484 45 HZ3 TRP 7 HZ3 TRP 7 25.266 15.327 21.748 46 HH2 TRP 7 HH2 TRP 7 24.670 15.331 19.340 47 H SER 8 H SER 8 23.961 20.801 21.751 48 HA SER 8 HA SER 8 26.296 19.201 21.724 49 HB2 SER 8 HB2 SER 8 25.068 19.906 19.723 50 HB3 SER 8 HB3 SER 8 25.572 21.588 19.982 51 HG SER 8 HG SER 8 27.181 19.310 19.438 52 H CYS 9 H CYS 9 25.907 22.612 22.576 53 HA CYS 9 HA CYS 9 28.789 23.161 22.896 54 HB2 CYS 9 HB2 CYS 9 26.193 24.700 23.281 55 HB3 CYS 9 HB3 CYS 9 27.735 25.314 23.890 56 H ASN 10 H ASN 10 25.942 22.543 24.937 57 HA ASN 10 HA ASN 10 26.982 23.214 27.449 58 HB2 ASN 10 HB2 ASN 10 24.601 22.859 26.945 59 HB3 ASN 10 HB3 ASN 10 24.901 21.155 26.615 60 HD21 ASN 10 HD21 ASN 10 24.346 20.280 29.935 61 HD22 ASN 10 HD22 ASN 10 24.309 19.844 28.229 62 H SER 11 H SER 11 26.943 19.903 25.941 63 HA SER 11 HA SER 11 28.288 18.636 28.099 64 HB2 SER 11 HB2 SER 11 28.608 16.787 26.647 65 HB3 SER 11 HB3 SER 11 27.071 17.536 26.155 66 HG SER 11 HG SER 11 28.176 17.272 24.264 67 H SER 12 H SER 12 29.639 20.344 25.287 68 HA SER 12 HA SER 12 32.401 19.711 25.770 69 HB2 SER 12 HB2 SER 12 31.650 20.502 23.600 70 HB3 SER 12 HB3 SER 12 31.112 22.040 24.298 71 HG SER 12 HG SER 12 33.788 21.039 24.269 72 H CYS 13 H CYS 13 30.513 22.704 26.618 73 HA CYS 13 HA CYS 13 32.531 23.913 28.168 74 HB2 CYS 13 HB2 CYS 13 29.507 24.001 28.303 75 HB3 CYS 13 HB3 CYS 13 30.538 25.022 29.300 76 H ILE 14 H ILE 14 29.895 21.684 29.407 77 HA ILE 14 HA ILE 14 30.873 21.679 32.055 78 HB ILE 14 HB ILE 14 29.595 19.304 30.650 79 HG12 ILE 14 HG12 ILE 14 28.093 21.202 32.468 80 HG13 ILE 14 HG13 ILE 14 28.249 21.634 30.777 81 HG21 ILE 14 HG21 ILE 14 28.941 18.847 33.118 82 HG22 ILE 14 HG22 ILE 14 30.662 18.687 32.756 83 HG23 ILE 14 HG23 ILE 14 30.067 20.163 33.533 84 HD11 ILE 14 HD11 ILE 14 27.065 19.011 31.801 85 HD12 ILE 14 HD12 ILE 14 26.161 20.418 31.223 86 HD13 ILE 14 HD13 ILE 14 27.193 19.516 30.101 87 H SER 15 H SER 15 31.945 19.587 29.327 88 HA SER 15 HA SER 15 33.759 17.999 30.846 89 HB2 SER 15 HB2 SER 15 33.965 18.738 27.903 90 HB3 SER 15 HB3 SER 15 34.745 17.370 28.719 91 HG SER 15 HG SER 15 32.003 17.825 28.195 92 H ARG 16 H ARG 16 34.161 21.273 29.664 93 HA ARG 16 HA ARG 16 37.077 21.409 30.136 94 HB2 ARG 16 HB2 ARG 16 34.968 23.563 29.646 95 HB3 ARG 16 HB3 ARG 16 36.696 23.873 29.784 96 HG2 ARG 16 HG2 ARG 16 37.196 22.635 27.789 97 HG3 ARG 16 HG3 ARG 16 35.583 21.911 27.774 98 HD2 ARG 16 HD2 ARG 16 35.822 23.580 26.012 99 HD3 ARG 16 HD3 ARG 16 34.531 23.967 27.146 100 HE ARG 16 HE ARG 16 36.972 25.314 27.925 101 HH11 ARG 16 HH11 ARG 16 34.606 25.556 25.274 102 HH12 ARG 16 HH12 ARG 16 34.741 27.302 25.303 103 HH21 ARG 16 HH21 ARG 16 37.054 27.438 27.798 104 HH22 ARG 16 HH22 ARG 16 36.078 28.332 26.630 105 H GLY 17 H GLY 17 34.165 22.030 31.992 106 HA2 GLY 17 HA2 GLY 17 34.744 21.498 34.449 107 HA3 GLY 17 HA3 GLY 17 35.732 22.957 34.365 108 H TYR 18 H TYR 18 33.113 23.650 32.403 109 HA TYR 18 HA TYR 18 31.840 25.311 34.419 110 HB2 TYR 18 HB2 TYR 18 31.172 24.788 31.521 111 HB3 TYR 18 HB3 TYR 18 30.590 26.116 32.494 112 HD1 TYR 18 HD1 TYR 18 33.167 25.058 30.284 113 HD2 TYR 18 HD2 TYR 18 32.357 27.712 33.561 114 HE1 TYR 18 HE1 TYR 18 35.097 26.495 29.586 115 HE2 TYR 18 HE2 TYR 18 34.268 29.146 32.872 116 HH TYR 18 HH TYR 18 35.989 29.450 31.389 117 H ARG 19 H ARG 19 29.217 25.288 33.567 118 HA ARG 19 HA ARG 19 28.101 22.570 34.066 119 HB2 ARG 19 HB2 ARG 19 27.335 25.035 35.636 120 HB3 ARG 19 HB3 ARG 19 26.336 23.592 35.530 121 HG2 ARG 19 HG2 ARG 19 27.351 22.901 37.380 122 HG3 ARG 19 HG3 ARG 19 28.657 22.412 36.305 123 HD2 ARG 19 HD2 ARG 19 29.648 23.627 38.104 124 HD3 ARG 19 HD3 ARG 19 29.698 24.697 36.693 125 HE ARG 19 HE ARG 19 27.286 25.232 38.122 126 HH11 ARG 19 HH11 ARG 19 30.714 25.811 38.317 127 HH12 ARG 19 HH12 ARG 19 30.555 27.121 39.458 128 HH21 ARG 19 HH21 ARG 19 27.126 27.023 39.566 129 HH22 ARG 19 HH22 ARG 19 28.626 27.767 40.115 130 H GLN 20 H GLN 20 28.213 25.092 32.008 131 HA GLN 20 HA GLN 20 25.584 24.668 30.799 132 HB2 GLN 20 HB2 GLN 20 25.328 26.374 32.713 133 HB3 GLN 20 HB3 GLN 20 26.426 27.397 31.815 134 HG2 GLN 20 HG2 GLN 20 24.809 27.518 29.946 135 HG3 GLN 20 HG3 GLN 20 23.773 26.372 30.807 136 HE21 GLN 20 HE21 GLN 20 22.027 29.260 31.840 137 HE22 GLN 20 HE22 GLN 20 22.101 28.024 30.615 138 H GLY 21 H GLY 21 25.466 25.387 28.666 139 HA2 GLY 21 HA2 GLY 21 27.402 27.113 27.513 140 HA3 GLY 21 HA3 GLY 21 27.782 25.447 27.069 141 H TYR 22 H TYR 22 26.977 27.699 25.406 142 HA TYR 22 HA TYR 22 24.816 26.555 23.788 143 HB2 TYR 22 HB2 TYR 22 23.489 28.758 24.001 144 HB3 TYR 22 HB3 TYR 22 23.354 27.571 25.282 145 HD1 TYR 22 HD1 TYR 22 24.989 30.821 24.382 146 HD2 TYR 22 HD2 TYR 22 23.940 28.043 27.522 147 HE1 TYR 22 HE1 TYR 22 25.695 32.485 26.100 148 HE2 TYR 22 HE2 TYR 22 24.707 29.683 29.230 149 HH TYR 22 HH TYR 22 25.676 31.697 29.603 150 H CYS 23 H CYS 23 24.334 28.074 21.881 151 HA CYS 23 HA CYS 23 26.914 28.894 20.765 152 HB2 CYS 23 HB2 CYS 23 25.840 29.001 18.687 153 HB3 CYS 23 HB3 CYS 23 25.206 27.571 19.482 154 H TRP 24 H TRP 24 27.362 30.967 19.827 155 HA TRP 24 HA TRP 24 26.243 33.333 21.134 156 HB2 TRP 24 HB2 TRP 24 28.291 32.918 18.940 157 HB3 TRP 24 HB3 TRP 24 27.845 34.497 19.537 158 HD1 TRP 24 HD1 TRP 24 30.461 32.095 19.936 159 HE1 TRP 24 HE1 TRP 24 31.938 32.700 21.932 160 HE3 TRP 24 HE3 TRP 24 27.177 35.103 22.485 161 HZ2 TRP 24 HZ2 TRP 24 31.827 34.514 24.187 162 HZ3 TRP 24 HZ3 TRP 24 27.898 36.255 24.563 163 HH2 TRP 24 HH2 TRP 24 30.224 35.994 25.404 164 H GLY 25 H GLY 25 24.562 31.651 19.022 165 HA2 GLY 25 HA2 GLY 25 22.718 32.273 17.760 166 HA3 GLY 25 HA3 GLY 25 23.175 33.965 17.916 167 H ILE 26 H ILE 26 25.175 34.614 16.537 168 HA ILE 26 HA ILE 26 25.305 33.221 13.896 169 HB ILE 26 HB ILE 26 24.403 36.074 14.403 170 HG12 ILE 26 HG12 ILE 26 22.563 34.449 14.487 171 HG13 ILE 26 HG13 ILE 26 22.418 35.552 13.146 172 HG21 ILE 26 HG21 ILE 26 25.271 34.867 11.751 173 HG22 ILE 26 HG22 ILE 26 24.299 36.343 11.908 174 HG23 ILE 26 HG23 ILE 26 25.921 36.304 12.579 175 HD11 ILE 26 HD11 ILE 26 23.408 32.680 12.881 176 HD12 ILE 26 HD12 ILE 26 21.775 33.258 12.531 177 HD13 ILE 26 HD13 ILE 26 23.133 33.828 11.553 178 H GLN 27 H GLN 27 27.194 33.448 12.792 179 HA GLN 27 HA GLN 27 29.373 33.716 12.435 180 HB2 GLN 27 HB2 GLN 27 28.643 36.598 13.014 181 HB3 GLN 27 HB3 GLN 27 30.233 36.071 12.453 182 HG2 GLN 27 HG2 GLN 27 28.788 34.777 10.610 183 HG3 GLN 27 HG3 GLN 27 27.629 36.058 10.943 184 HE21 GLN 27 HE21 GLN 27 30.269 36.869 8.214 185 HE22 GLN 27 HE22 GLN 27 29.238 35.480 8.493 186 H TYR 28 H TYR 28 29.966 32.303 14.016 187 HA TYR 28 HA TYR 28 31.971 33.357 15.915 188 HB2 TYR 28 HB2 TYR 28 31.133 31.778 17.662 189 HB3 TYR 28 HB3 TYR 28 30.063 33.128 17.332 190 HD1 TYR 28 HD1 TYR 28 30.578 29.454 16.620 191 HD2 TYR 28 HD2 TYR 28 27.831 32.794 16.635 192 HE1 TYR 28 HE1 TYR 28 28.702 27.912 16.099 193 HE2 TYR 28 HE2 TYR 28 25.958 31.219 16.180 194 HH TYR 28 HH TYR 28 26.318 27.742 16.006 195 H LYS 29 H LYS 29 33.339 31.560 16.731 196 HA LYS 29 HA LYS 29 33.539 29.238 14.840 197 HB2 LYS 29 HB2 LYS 29 35.944 29.141 15.396 198 HB3 LYS 29 HB3 LYS 29 35.466 30.596 14.525 199 HG2 LYS 29 HG2 LYS 29 35.516 31.912 16.593 200 HG3 LYS 29 HG3 LYS 29 35.923 30.467 17.535 201 HD2 LYS 29 HD2 LYS 29 38.071 30.285 16.317 202 HD3 LYS 29 HD3 LYS 29 37.611 31.675 15.314 203 HE2 LYS 29 HE2 LYS 29 37.356 33.018 17.475 204 HE3 LYS 29 HE3 LYS 29 38.074 31.651 18.333 205 HZ1 LYS 29 HZ1 LYS 29 39.775 33.244 17.782 206 HZ2 LYS 29 HZ2 LYS 29 40.033 31.910 16.867 207 HZ3 LYS 29 HZ3 LYS 29 39.345 33.236 16.177 208 H TYR 30 H TYR 30 33.266 30.172 18.228 209 HA TYR 30 HA TYR 30 33.225 27.300 19.019 210 HB2 TYR 30 HB2 TYR 30 34.418 29.551 20.665 211 HB3 TYR 30 HB3 TYR 30 34.459 27.831 21.029 212 HD1 TYR 30 HD1 TYR 30 35.420 26.674 18.420 213 HD2 TYR 30 HD2 TYR 30 36.657 30.175 20.615 214 HE1 TYR 30 HE1 TYR 30 37.629 26.567 17.337 215 HE2 TYR 30 HE2 TYR 30 38.917 30.002 19.596 216 HH TYR 30 HH TYR 30 39.805 27.297 17.474 217 H CYS 31 H CYS 31 32.264 27.045 21.245 218 HA CYS 31 HA CYS 31 29.720 28.463 21.444 219 HB2 CYS 31 HB2 CYS 31 31.053 26.359 23.190 220 HB3 CYS 31 HB3 CYS 31 29.382 26.875 23.350 221 H GLN 32 H GLN 32 28.911 29.222 23.586 222 HA GLN 32 HA GLN 32 30.964 30.575 25.298 223 HB2 GLN 32 HB2 GLN 32 29.482 32.193 24.326 224 HB3 GLN 32 HB3 GLN 32 28.067 31.243 24.713 225 HG2 GLN 32 HG2 GLN 32 28.185 33.174 26.134 226 HG3 GLN 32 HG3 GLN 32 28.322 31.720 27.102 227 HE21 GLN 32 HE21 GLN 32 30.799 34.314 28.300 228 HE22 GLN 32 HE22 GLN 32 29.101 34.494 27.860 229 H CYS 33 H CYS 33 30.946 30.126 27.453 230 HA CYS 33 HA CYS 33 29.301 27.795 28.478 231 HB2 CYS 33 HB2 CYS 33 32.086 28.707 29.251 232 HB3 CYS 33 HB3 CYS 33 31.219 27.289 29.819 233 H GLN 34 H GLN 34 29.593 27.823 30.972 234 HA GLN 34 HA GLN 34 27.527 29.229 31.967 235 HB2 GLN 34 HB2 GLN 34 28.678 27.289 32.993 236 HB3 GLN 34 HB3 GLN 34 29.998 28.368 33.478 237 HG2 GLN 34 HG2 GLN 34 27.980 29.657 34.705 238 HG3 GLN 34 HG3 GLN 34 27.235 28.064 34.637 239 HE21 GLN 34 HE21 GLN 34 29.695 28.715 37.622 240 HE22 GLN 34 HE22 GLN 34 28.578 29.852 36.856 Start of MODEL 10 1 H1 GLY 1 H1 GLY 1 29.659 23.542 19.361 2 H2 GLY 1 H2 GLY 1 30.851 24.487 18.709 3 H3 GLY 1 H3 GLY 1 31.186 22.951 19.230 4 HA2 GLY 1 HA2 GLY 1 31.097 22.934 16.879 5 HA3 GLY 1 HA3 GLY 1 29.751 22.010 17.563 6 H SER 2 H SER 2 30.225 23.647 15.018 7 HA SER 2 HA SER 2 28.910 26.055 14.940 8 HB2 SER 2 HB2 SER 2 30.352 25.081 13.192 9 HB3 SER 2 HB3 SER 2 29.036 23.992 12.711 10 HG SER 2 HG SER 2 29.373 26.140 11.593 11 H ALA 3 H ALA 3 27.218 22.922 14.810 12 HA ALA 3 HA ALA 3 24.670 23.852 13.950 13 HB1 ALA 3 HB1 ALA 3 25.394 21.610 15.886 14 HB2 ALA 3 HB2 ALA 3 23.851 21.795 15.025 15 HB3 ALA 3 HB3 ALA 3 25.338 21.481 14.112 16 H CYS 4 H CYS 4 26.311 24.477 16.941 17 HA CYS 4 HA CYS 4 25.807 25.523 18.836 18 HB2 CYS 4 HB2 CYS 4 24.324 27.030 16.712 19 HB3 CYS 4 HB3 CYS 4 24.274 27.597 18.380 20 H GLN 5 H GLN 5 24.089 23.170 18.409 21 HA GLN 5 HA GLN 5 21.501 23.728 19.637 22 HB2 GLN 5 HB2 GLN 5 23.005 21.091 19.373 23 HB3 GLN 5 HB3 GLN 5 21.332 21.323 19.907 24 HG2 GLN 5 HG2 GLN 5 20.720 22.279 17.763 25 HG3 GLN 5 HG3 GLN 5 22.350 21.993 17.129 26 HE21 GLN 5 HE21 GLN 5 19.884 19.205 16.305 27 HE22 GLN 5 HE22 GLN 5 20.006 20.918 15.910 28 H PHE 6 H PHE 6 21.218 24.204 21.769 29 HA PHE 6 HA PHE 6 23.335 24.600 23.472 30 HB2 PHE 6 HB2 PHE 6 21.833 24.909 25.288 31 HB3 PHE 6 HB3 PHE 6 21.121 25.566 23.833 32 HD1 PHE 6 HD1 PHE 6 18.893 24.973 23.240 33 HD2 PHE 6 HD2 PHE 6 21.038 22.567 26.115 34 HE1 PHE 6 HE1 PHE 6 16.840 23.661 23.696 35 HE2 PHE 6 HE2 PHE 6 19.007 21.190 26.477 36 HZ PHE 6 HZ PHE 6 16.901 21.749 25.284 37 H TRP 7 H TRP 7 21.495 21.487 23.331 38 HA TRP 7 HA TRP 7 22.786 20.305 25.557 39 HB2 TRP 7 HB2 TRP 7 21.852 18.319 24.881 40 HB3 TRP 7 HB3 TRP 7 20.753 19.505 24.201 41 HD1 TRP 7 HD1 TRP 7 21.180 19.958 21.442 42 HE1 TRP 7 HE1 TRP 7 21.845 18.343 19.588 43 HE3 TRP 7 HE3 TRP 7 23.087 16.193 24.339 44 HZ2 TRP 7 HZ2 TRP 7 22.999 15.697 19.383 45 HZ3 TRP 7 HZ3 TRP 7 23.927 14.106 23.278 46 HH2 TRP 7 HH2 TRP 7 23.881 13.849 20.813 47 H SER 8 H SER 8 23.914 20.576 22.222 48 HA SER 8 HA SER 8 26.171 18.729 22.595 49 HB2 SER 8 HB2 SER 8 24.862 18.815 20.512 50 HB3 SER 8 HB3 SER 8 25.371 20.488 20.251 51 HG SER 8 HG SER 8 26.557 18.433 19.365 52 H CYS 9 H CYS 9 25.623 22.241 22.643 53 HA CYS 9 HA CYS 9 28.482 22.878 22.935 54 HB2 CYS 9 HB2 CYS 9 25.908 24.411 23.408 55 HB3 CYS 9 HB3 CYS 9 27.467 25.032 23.926 56 H ASN 10 H ASN 10 25.735 22.302 25.164 57 HA ASN 10 HA ASN 10 26.929 22.918 27.617 58 HB2 ASN 10 HB2 ASN 10 24.555 22.548 27.207 59 HB3 ASN 10 HB3 ASN 10 24.813 20.850 26.851 60 HD21 ASN 10 HD21 ASN 10 23.883 21.823 30.520 61 HD22 ASN 10 HD22 ASN 10 23.743 22.935 29.165 62 H SER 11 H SER 11 26.868 19.654 26.013 63 HA SER 11 HA SER 11 28.429 18.377 28.015 64 HB2 SER 11 HB2 SER 11 28.773 16.636 26.277 65 HB3 SER 11 HB3 SER 11 27.096 17.121 26.484 66 HG SER 11 HG SER 11 27.467 17.100 24.300 67 H SER 12 H SER 12 29.485 20.080 25.058 68 HA SER 12 HA SER 12 32.295 19.543 25.419 69 HB2 SER 12 HB2 SER 12 31.377 20.281 23.266 70 HB3 SER 12 HB3 SER 12 30.940 21.844 23.972 71 HG SER 12 HG SER 12 33.519 20.776 23.464 72 H CYS 13 H CYS 13 30.360 22.521 26.329 73 HA CYS 13 HA CYS 13 32.399 23.889 27.668 74 HB2 CYS 13 HB2 CYS 13 29.392 23.743 28.026 75 HB3 CYS 13 HB3 CYS 13 30.400 24.830 28.973 76 H ILE 14 H ILE 14 29.990 21.635 29.242 77 HA ILE 14 HA ILE 14 31.165 21.806 31.781 78 HB ILE 14 HB ILE 14 29.685 19.462 30.540 79 HG12 ILE 14 HG12 ILE 14 28.760 21.677 32.429 80 HG13 ILE 14 HG13 ILE 14 28.441 21.694 30.709 81 HG21 ILE 14 HG21 ILE 14 30.460 20.134 33.417 82 HG22 ILE 14 HG22 ILE 14 29.320 18.830 32.979 83 HG23 ILE 14 HG23 ILE 14 30.999 18.722 32.487 84 HD11 ILE 14 HD11 ILE 14 27.335 19.735 32.749 85 HD12 ILE 14 HD12 ILE 14 26.464 20.896 31.743 86 HD13 ILE 14 HD13 ILE 14 27.242 19.476 30.990 87 H SER 15 H SER 15 32.240 19.634 29.106 88 HA SER 15 HA SER 15 34.124 18.165 30.650 89 HB2 SER 15 HB2 SER 15 35.086 17.478 28.643 90 HB3 SER 15 HB3 SER 15 33.400 17.760 28.225 91 HG SER 15 HG SER 15 34.058 19.810 27.354 92 H ARG 16 H ARG 16 34.313 21.433 29.467 93 HA ARG 16 HA ARG 16 37.198 21.818 29.988 94 HB2 ARG 16 HB2 ARG 16 35.007 23.766 29.134 95 HB3 ARG 16 HB3 ARG 16 36.731 24.115 29.174 96 HG2 ARG 16 HG2 ARG 16 37.164 22.578 27.367 97 HG3 ARG 16 HG3 ARG 16 35.553 21.867 27.504 98 HD2 ARG 16 HD2 ARG 16 35.691 23.298 25.538 99 HD3 ARG 16 HD3 ARG 16 34.472 23.845 26.694 100 HE ARG 16 HE ARG 16 37.040 25.180 27.067 101 HH11 ARG 16 HH11 ARG 16 34.299 25.375 24.810 102 HH12 ARG 16 HH12 ARG 16 34.390 27.133 24.874 103 HH21 ARG 16 HH21 ARG 16 37.168 27.295 26.775 104 HH22 ARG 16 HH22 ARG 16 35.921 28.148 25.831 105 H GLY 17 H GLY 17 34.328 22.017 31.871 106 HA2 GLY 17 HA2 GLY 17 34.915 21.987 34.293 107 HA3 GLY 17 HA3 GLY 17 35.834 23.468 34.032 108 H TYR 18 H TYR 18 33.140 23.710 32.086 109 HA TYR 18 HA TYR 18 31.811 25.575 33.917 110 HB2 TYR 18 HB2 TYR 18 31.317 24.760 31.042 111 HB3 TYR 18 HB3 TYR 18 30.515 26.059 31.865 112 HD1 TYR 18 HD1 TYR 18 31.628 28.210 32.240 113 HD2 TYR 18 HD2 TYR 18 33.761 24.905 30.538 114 HE1 TYR 18 HE1 TYR 18 33.413 29.773 31.480 115 HE2 TYR 18 HE2 TYR 18 35.577 26.463 29.783 116 HH TYR 18 HH TYR 18 35.286 29.985 30.102 117 H ARG 19 H ARG 19 29.209 25.460 33.239 118 HA ARG 19 HA ARG 19 28.127 22.792 34.090 119 HB2 ARG 19 HB2 ARG 19 27.621 25.440 35.489 120 HB3 ARG 19 HB3 ARG 19 26.647 23.981 35.706 121 HG2 ARG 19 HG2 ARG 19 27.999 23.585 37.428 122 HG3 ARG 19 HG3 ARG 19 28.997 22.848 36.188 123 HD2 ARG 19 HD2 ARG 19 30.103 25.260 36.031 124 HD3 ARG 19 HD3 ARG 19 29.297 25.512 37.589 125 HE ARG 19 HE ARG 19 30.925 23.065 37.240 126 HH11 ARG 19 HH11 ARG 19 30.961 26.341 38.645 127 HH12 ARG 19 HH12 ARG 19 32.333 25.889 39.660 128 HH21 ARG 19 HH21 ARG 19 32.513 22.655 38.773 129 HH22 ARG 19 HH22 ARG 19 33.115 24.002 39.732 130 H GLN 20 H GLN 20 28.000 24.914 31.686 131 HA GLN 20 HA GLN 20 25.447 24.218 30.648 132 HB2 GLN 20 HB2 GLN 20 25.065 26.115 32.510 133 HB3 GLN 20 HB3 GLN 20 25.653 27.190 31.242 134 HG2 GLN 20 HG2 GLN 20 23.790 26.569 29.806 135 HG3 GLN 20 HG3 GLN 20 23.351 25.232 30.883 136 HE21 GLN 20 HE21 GLN 20 20.891 27.475 32.112 137 HE22 GLN 20 HE22 GLN 20 21.243 25.898 31.390 138 H GLY 21 H GLY 21 25.062 25.398 28.518 139 HA2 GLY 21 HA2 GLY 21 27.148 26.848 27.292 140 HA3 GLY 21 HA3 GLY 21 27.346 25.160 26.842 141 H TYR 22 H TYR 22 26.815 27.476 25.227 142 HA TYR 22 HA TYR 22 24.611 26.743 23.472 143 HB2 TYR 22 HB2 TYR 22 23.448 29.026 23.952 144 HB3 TYR 22 HB3 TYR 22 23.164 27.682 25.029 145 HD1 TYR 22 HD1 TYR 22 23.564 27.803 27.330 146 HD2 TYR 22 HD2 TYR 22 25.157 30.853 24.728 147 HE1 TYR 22 HE1 TYR 22 24.360 29.079 29.312 148 HE2 TYR 22 HE2 TYR 22 25.907 32.145 26.720 149 HH TYR 22 HH TYR 22 25.240 31.042 30.050 150 H CYS 23 H CYS 23 24.336 29.132 22.039 151 HA CYS 23 HA CYS 23 27.137 30.094 21.551 152 HB2 CYS 23 HB2 CYS 23 24.977 29.398 19.557 153 HB3 CYS 23 HB3 CYS 23 26.353 30.400 19.149 154 H TRP 24 H TRP 24 27.408 32.158 20.689 155 HA TRP 24 HA TRP 24 25.554 34.282 21.457 156 HB2 TRP 24 HB2 TRP 24 28.147 34.176 19.867 157 HB3 TRP 24 HB3 TRP 24 27.260 35.665 20.149 158 HD1 TRP 24 HD1 TRP 24 29.658 33.298 21.814 159 HE1 TRP 24 HE1 TRP 24 30.383 34.232 24.101 160 HE3 TRP 24 HE3 TRP 24 26.316 37.163 22.239 161 HZ2 TRP 24 HZ2 TRP 24 29.745 36.464 25.787 162 HZ3 TRP 24 HZ3 TRP 24 26.407 38.679 24.198 163 HH2 TRP 24 HH2 TRP 24 28.094 38.330 25.990 164 H GLY 25 H GLY 25 24.946 35.934 19.713 165 HA2 GLY 25 HA2 GLY 25 23.261 34.731 17.803 166 HA3 GLY 25 HA3 GLY 25 23.685 36.451 17.863 167 H ILE 26 H ILE 26 26.277 36.617 17.137 168 HA ILE 26 HA ILE 26 26.625 35.102 14.586 169 HB ILE 26 HB ILE 26 27.145 37.334 13.463 170 HG12 ILE 26 HG12 ILE 26 25.257 38.501 15.557 171 HG13 ILE 26 HG13 ILE 26 27.002 38.678 15.642 172 HG21 ILE 26 HG21 ILE 26 24.219 36.785 14.126 173 HG22 ILE 26 HG22 ILE 26 24.886 37.575 12.678 174 HG23 ILE 26 HG23 ILE 26 25.197 35.871 12.951 175 HD11 ILE 26 HD11 ILE 26 27.023 39.808 13.426 176 HD12 ILE 26 HD12 ILE 26 25.243 39.727 13.400 177 HD13 ILE 26 HD13 ILE 26 26.066 40.669 14.649 178 H GLN 27 H GLN 27 28.265 37.405 16.857 179 HA GLN 27 HA GLN 27 30.785 36.870 15.382 180 HB2 GLN 27 HB2 GLN 27 30.122 38.887 17.551 181 HB3 GLN 27 HB3 GLN 27 31.689 38.724 16.752 182 HG2 GLN 27 HG2 GLN 27 29.120 39.433 15.288 183 HG3 GLN 27 HG3 GLN 27 30.264 40.601 15.922 184 HE21 GLN 27 HE21 GLN 27 31.318 40.500 12.494 185 HE22 GLN 27 HE22 GLN 27 30.124 41.259 13.548 186 H TYR 28 H TYR 28 31.194 34.740 16.003 187 HA TYR 28 HA TYR 28 32.655 34.437 18.552 188 HB2 TYR 28 HB2 TYR 28 31.376 32.472 19.239 189 HB3 TYR 28 HB3 TYR 28 30.386 33.910 19.224 190 HD1 TYR 28 HD1 TYR 28 30.983 30.618 17.638 191 HD2 TYR 28 HD2 TYR 28 28.563 34.182 17.582 192 HE1 TYR 28 HE1 TYR 28 29.292 29.448 16.256 193 HE2 TYR 28 HE2 TYR 28 26.861 33.015 16.200 194 HH TYR 28 HH TYR 28 27.420 29.772 14.902 195 H LYS 29 H LYS 29 33.743 32.368 18.731 196 HA LYS 29 HA LYS 29 34.132 30.815 16.205 197 HB2 LYS 29 HB2 LYS 29 36.529 30.850 16.399 198 HB3 LYS 29 HB3 LYS 29 35.922 32.511 16.362 199 HG2 LYS 29 HG2 LYS 29 36.091 32.505 18.911 200 HG3 LYS 29 HG3 LYS 29 36.917 30.947 18.788 201 HD2 LYS 29 HD2 LYS 29 38.735 31.988 17.477 202 HD3 LYS 29 HD3 LYS 29 37.840 33.526 17.468 203 HE2 LYS 29 HE2 LYS 29 37.847 33.362 20.049 204 HE3 LYS 29 HE3 LYS 29 39.068 32.097 19.858 205 HZ1 LYS 29 HZ1 LYS 29 40.065 34.227 20.217 206 HZ2 LYS 29 HZ2 LYS 29 40.461 33.761 18.693 207 HZ3 LYS 29 HZ3 LYS 29 39.278 34.903 18.921 208 H TYR 30 H TYR 30 33.303 30.605 19.406 209 HA TYR 30 HA TYR 30 33.415 27.671 19.273 210 HB2 TYR 30 HB2 TYR 30 34.013 28.894 21.944 211 HB3 TYR 30 HB3 TYR 30 34.379 27.291 21.357 212 HD1 TYR 30 HD1 TYR 30 36.387 27.071 19.667 213 HD2 TYR 30 HD2 TYR 30 35.616 30.543 22.112 214 HE1 TYR 30 HE1 TYR 30 38.780 27.764 19.457 215 HE2 TYR 30 HE2 TYR 30 38.002 31.208 21.917 216 HH TYR 30 HH TYR 30 40.236 29.617 19.741 217 H CYS 31 H CYS 31 31.992 26.759 21.150 218 HA CYS 31 HA CYS 31 29.482 28.174 21.514 219 HB2 CYS 31 HB2 CYS 31 30.800 25.926 23.085 220 HB3 CYS 31 HB3 CYS 31 29.158 26.493 23.352 221 H GLN 32 H GLN 32 28.747 29.204 23.381 222 HA GLN 32 HA GLN 32 30.746 30.392 25.249 223 HB2 GLN 32 HB2 GLN 32 29.197 31.918 24.017 224 HB3 GLN 32 HB3 GLN 32 27.830 31.046 24.700 225 HG2 GLN 32 HG2 GLN 32 28.034 32.993 25.981 226 HG3 GLN 32 HG3 GLN 32 28.642 31.714 27.010 227 HE21 GLN 32 HE21 GLN 32 30.892 34.518 27.579 228 HE22 GLN 32 HE22 GLN 32 29.351 33.796 28.061 229 H CYS 33 H CYS 33 30.466 30.035 27.504 230 HA CYS 33 HA CYS 33 28.889 27.590 28.259 231 HB2 CYS 33 HB2 CYS 33 31.666 28.437 29.099 232 HB3 CYS 33 HB3 CYS 33 30.817 26.954 29.521 233 H GLN 34 H GLN 34 29.190 27.481 30.885 234 HA GLN 34 HA GLN 34 27.296 29.410 31.728 235 HB2 GLN 34 HB2 GLN 34 27.586 27.057 32.551 236 HB3 GLN 34 HB3 GLN 34 28.851 27.597 33.616 237 HG2 GLN 34 HG2 GLN 34 26.260 29.137 33.739 238 HG3 GLN 34 HG3 GLN 34 26.140 27.451 34.187 239 HE21 GLN 34 HE21 GLN 34 26.678 29.375 37.302 240 HE22 GLN 34 HE22 GLN 34 25.390 29.121 36.146 Start of MODEL 11 1 H1 GLY 1 H1 GLY 1 31.997 19.377 9.641 2 H2 GLY 1 H2 GLY 1 30.598 18.918 8.916 3 H3 GLY 1 H3 GLY 1 30.590 19.421 10.497 4 HA2 GLY 1 HA2 GLY 1 31.286 21.641 9.822 5 HA3 GLY 1 HA3 GLY 1 31.253 21.078 8.154 6 H SER 2 H SER 2 29.197 21.586 11.016 7 HA SER 2 HA SER 2 26.934 22.496 9.366 8 HB2 SER 2 HB2 SER 2 25.376 21.071 10.634 9 HB3 SER 2 HB3 SER 2 26.520 20.103 9.673 10 HG SER 2 HG SER 2 26.267 19.310 11.813 11 H ALA 3 H ALA 3 25.156 23.402 10.913 12 HA ALA 3 HA ALA 3 26.287 25.403 12.592 13 HB1 ALA 3 HB1 ALA 3 24.192 25.667 11.342 14 HB2 ALA 3 HB2 ALA 3 23.405 24.427 12.344 15 HB3 ALA 3 HB3 ALA 3 23.930 25.970 13.059 16 H CYS 4 H CYS 4 26.311 25.715 14.810 17 HA CYS 4 HA CYS 4 26.576 23.467 16.555 18 HB2 CYS 4 HB2 CYS 4 27.033 25.213 18.232 19 HB3 CYS 4 HB3 CYS 4 27.918 25.466 16.727 20 H GLN 5 H GLN 5 25.495 23.271 18.711 21 HA GLN 5 HA GLN 5 22.645 24.107 18.828 22 HB2 GLN 5 HB2 GLN 5 23.626 21.238 18.987 23 HB3 GLN 5 HB3 GLN 5 22.086 21.786 19.629 24 HG2 GLN 5 HG2 GLN 5 22.843 22.090 16.708 25 HG3 GLN 5 HG3 GLN 5 21.908 20.747 17.363 26 HE21 GLN 5 HE21 GLN 5 19.488 23.281 16.088 27 HE22 GLN 5 HE22 GLN 5 20.805 22.306 15.393 28 H PHE 6 H PHE 6 21.933 24.570 20.868 29 HA PHE 6 HA PHE 6 23.685 25.054 22.908 30 HB2 PHE 6 HB2 PHE 6 21.905 25.564 24.280 31 HB3 PHE 6 HB3 PHE 6 21.235 25.792 22.682 32 HD1 PHE 6 HD1 PHE 6 19.602 24.111 21.749 33 HD2 PHE 6 HD2 PHE 6 21.085 23.891 25.800 34 HE1 PHE 6 HE1 PHE 6 17.786 22.514 22.331 35 HE2 PHE 6 HE2 PHE 6 19.262 22.303 26.373 36 HZ PHE 6 HZ PHE 6 17.618 21.610 24.639 37 H TRP 7 H TRP 7 21.811 21.975 22.672 38 HA TRP 7 HA TRP 7 22.792 20.899 25.094 39 HB2 TRP 7 HB2 TRP 7 21.759 18.926 24.502 40 HB3 TRP 7 HB3 TRP 7 20.800 20.150 23.693 41 HD1 TRP 7 HD1 TRP 7 21.348 20.386 20.960 42 HE1 TRP 7 HE1 TRP 7 21.928 18.584 19.216 43 HE3 TRP 7 HE3 TRP 7 22.615 16.577 24.133 44 HZ2 TRP 7 HZ2 TRP 7 22.868 15.870 19.212 45 HZ3 TRP 7 HZ3 TRP 7 23.272 14.362 23.231 46 HH2 TRP 7 HH2 TRP 7 23.392 13.993 20.780 47 H SER 8 H SER 8 24.149 20.584 21.801 48 HA SER 8 HA SER 8 26.364 18.889 22.486 49 HB2 SER 8 HB2 SER 8 25.903 20.848 20.208 50 HB3 SER 8 HB3 SER 8 27.265 19.707 20.285 51 HG SER 8 HG SER 8 25.247 19.062 19.105 52 H CYS 9 H CYS 9 26.057 22.479 22.272 53 HA CYS 9 HA CYS 9 28.736 23.067 23.103 54 HB2 CYS 9 HB2 CYS 9 26.092 24.536 23.313 55 HB3 CYS 9 HB3 CYS 9 27.576 25.197 23.978 56 H ASN 10 H ASN 10 25.761 22.515 25.041 57 HA ASN 10 HA ASN 10 26.722 23.269 27.550 58 HB2 ASN 10 HB2 ASN 10 24.379 22.921 27.115 59 HB3 ASN 10 HB3 ASN 10 24.635 21.236 26.685 60 HD21 ASN 10 HD21 ASN 10 24.395 22.249 30.614 61 HD22 ASN 10 HD22 ASN 10 24.386 23.481 29.355 62 H SER 11 H SER 11 26.667 19.883 26.285 63 HA SER 11 HA SER 11 28.044 18.732 28.512 64 HB2 SER 11 HB2 SER 11 28.402 16.820 26.950 65 HB3 SER 11 HB3 SER 11 26.727 17.400 26.974 66 HG SER 11 HG SER 11 27.189 17.280 24.850 67 H SER 12 H SER 12 29.246 20.050 25.435 68 HA SER 12 HA SER 12 31.998 19.331 25.749 69 HB2 SER 12 HB2 SER 12 30.872 21.688 24.185 70 HB3 SER 12 HB3 SER 12 32.449 20.908 23.967 71 HG SER 12 HG SER 12 29.854 19.942 23.363 72 H CYS 13 H CYS 13 30.268 22.394 26.610 73 HA CYS 13 HA CYS 13 32.551 23.698 27.759 74 HB2 CYS 13 HB2 CYS 13 29.560 23.912 28.249 75 HB3 CYS 13 HB3 CYS 13 30.736 24.961 29.024 76 H ILE 14 H ILE 14 29.930 21.755 29.395 77 HA ILE 14 HA ILE 14 31.119 21.719 31.918 78 HB ILE 14 HB ILE 14 29.513 19.533 30.555 79 HG12 ILE 14 HG12 ILE 14 28.549 21.498 32.661 80 HG13 ILE 14 HG13 ILE 14 28.501 21.952 30.970 81 HG21 ILE 14 HG21 ILE 14 30.721 18.588 32.441 82 HG22 ILE 14 HG22 ILE 14 30.367 20.016 33.425 83 HG23 ILE 14 HG23 ILE 14 29.064 18.870 32.999 84 HD11 ILE 14 HD11 ILE 14 26.343 21.096 31.598 85 HD12 ILE 14 HD12 ILE 14 27.098 19.956 30.459 86 HD13 ILE 14 HD13 ILE 14 27.046 19.592 32.199 87 H SER 15 H SER 15 31.995 19.615 29.161 88 HA SER 15 HA SER 15 33.808 17.925 30.506 89 HB2 SER 15 HB2 SER 15 32.963 17.674 28.157 90 HB3 SER 15 HB3 SER 15 34.060 18.979 27.666 91 HG SER 15 HG SER 15 34.651 16.399 28.628 92 H ARG 16 H ARG 16 34.321 21.267 29.425 93 HA ARG 16 HA ARG 16 37.238 21.286 29.950 94 HB2 ARG 16 HB2 ARG 16 35.243 23.566 29.542 95 HB3 ARG 16 HB3 ARG 16 36.979 23.770 29.755 96 HG2 ARG 16 HG2 ARG 16 37.419 22.496 27.698 97 HG3 ARG 16 HG3 ARG 16 35.681 22.195 27.509 98 HD2 ARG 16 HD2 ARG 16 36.462 23.990 26.020 99 HD3 ARG 16 HD3 ARG 16 35.221 24.525 27.160 100 HE ARG 16 HE ARG 16 38.044 25.023 27.952 101 HH11 ARG 16 HH11 ARG 16 35.245 26.508 26.409 102 HH12 ARG 16 HH12 ARG 16 35.608 28.072 27.107 103 HH21 ARG 16 HH21 ARG 16 38.647 27.045 28.379 104 HH22 ARG 16 HH22 ARG 16 37.636 28.414 27.951 105 H GLY 17 H GLY 17 34.318 22.086 31.750 106 HA2 GLY 17 HA2 GLY 17 35.070 21.679 34.275 107 HA3 GLY 17 HA3 GLY 17 35.843 23.241 34.012 108 H TYR 18 H TYR 18 33.203 23.661 32.145 109 HA TYR 18 HA TYR 18 31.891 25.303 34.112 110 HB2 TYR 18 HB2 TYR 18 31.219 24.645 31.235 111 HB3 TYR 18 HB3 TYR 18 30.536 25.963 32.160 112 HD1 TYR 18 HD1 TYR 18 33.343 24.908 30.174 113 HD2 TYR 18 HD2 TYR 18 32.078 27.775 33.090 114 HE1 TYR 18 HE1 TYR 18 35.246 26.372 29.547 115 HE2 TYR 18 HE2 TYR 18 33.970 29.286 32.440 116 HH TYR 18 HH TYR 18 35.830 29.569 31.002 117 H ARG 19 H ARG 19 29.379 25.365 33.609 118 HA ARG 19 HA ARG 19 28.029 22.760 34.220 119 HB2 ARG 19 HB2 ARG 19 27.666 25.345 35.782 120 HB3 ARG 19 HB3 ARG 19 26.669 23.902 35.900 121 HG2 ARG 19 HG2 ARG 19 27.951 23.582 37.706 122 HG3 ARG 19 HG3 ARG 19 28.791 22.606 36.516 123 HD2 ARG 19 HD2 ARG 19 30.326 23.805 37.928 124 HD3 ARG 19 HD3 ARG 19 30.511 24.381 36.277 125 HE ARG 19 HE ARG 19 28.771 26.235 37.346 126 HH11 ARG 19 HH11 ARG 19 31.878 25.054 38.428 127 HH12 ARG 19 HH12 ARG 19 32.250 26.565 39.242 128 HH21 ARG 19 HH21 ARG 19 29.323 28.074 38.257 129 HH22 ARG 19 HH22 ARG 19 30.894 28.305 39.037 130 H GLN 20 H GLN 20 28.264 25.059 32.002 131 HA GLN 20 HA GLN 20 25.653 24.727 30.895 132 HB2 GLN 20 HB2 GLN 20 25.655 26.748 32.750 133 HB3 GLN 20 HB3 GLN 20 26.247 27.636 31.348 134 HG2 GLN 20 HG2 GLN 20 24.245 27.184 30.138 135 HG3 GLN 20 HG3 GLN 20 23.755 25.906 31.258 136 HE21 GLN 20 HE21 GLN 20 23.349 29.533 33.083 137 HE22 GLN 20 HE22 GLN 20 24.919 29.169 32.389 138 H GLY 21 H GLY 21 25.474 25.735 28.750 139 HA2 GLY 21 HA2 GLY 21 27.590 27.083 27.456 140 HA3 GLY 21 HA3 GLY 21 27.806 25.351 27.169 141 H TYR 22 H TYR 22 27.067 27.667 25.430 142 HA TYR 22 HA TYR 22 24.989 26.535 23.778 143 HB2 TYR 22 HB2 TYR 22 23.707 28.884 24.130 144 HB3 TYR 22 HB3 TYR 22 23.327 27.408 24.992 145 HD1 TYR 22 HD1 TYR 22 25.990 30.031 25.638 146 HD2 TYR 22 HD2 TYR 22 22.525 27.895 27.074 147 HE1 TYR 22 HE1 TYR 22 26.329 30.993 27.927 148 HE2 TYR 22 HE2 TYR 22 22.833 28.929 29.326 149 HH TYR 22 HH TYR 22 25.712 30.636 30.222 150 H CYS 23 H CYS 23 24.686 27.857 21.832 151 HA CYS 23 HA CYS 23 26.869 29.811 21.345 152 HB2 CYS 23 HB2 CYS 23 27.024 29.160 19.079 153 HB3 CYS 23 HB3 CYS 23 27.335 27.769 20.100 154 H TRP 24 H TRP 24 26.396 31.664 20.303 155 HA TRP 24 HA TRP 24 23.705 32.685 20.635 156 HB2 TRP 24 HB2 TRP 24 26.300 33.862 19.585 157 HB3 TRP 24 HB3 TRP 24 24.845 34.799 19.873 158 HD1 TRP 24 HD1 TRP 24 24.988 32.596 22.771 159 HE1 TRP 24 HE1 TRP 24 26.002 33.798 24.785 160 HE3 TRP 24 HE3 TRP 24 27.315 36.458 20.339 161 HZ2 TRP 24 HZ2 TRP 24 27.406 36.257 25.310 162 HZ3 TRP 24 HZ3 TRP 24 28.458 38.235 21.632 163 HH2 TRP 24 HH2 TRP 24 28.486 38.167 24.114 164 H GLY 25 H GLY 25 22.820 34.240 18.908 165 HA2 GLY 25 HA2 GLY 25 22.491 32.790 16.388 166 HA3 GLY 25 HA3 GLY 25 21.603 34.218 16.932 167 H ILE 26 H ILE 26 24.537 35.367 17.425 168 HA ILE 26 HA ILE 26 25.759 35.555 14.845 169 HB ILE 26 HB ILE 26 23.824 37.173 14.647 170 HG12 ILE 26 HG12 ILE 26 26.534 38.529 14.356 171 HG13 ILE 26 HG13 ILE 26 25.970 37.230 13.300 172 HG21 ILE 26 HG21 ILE 26 25.423 38.974 16.520 173 HG22 ILE 26 HG22 ILE 26 23.869 39.321 15.740 174 HG23 ILE 26 HG23 ILE 26 23.962 38.088 16.996 175 HD11 ILE 26 HD11 ILE 26 25.544 39.359 12.240 176 HD12 ILE 26 HD12 ILE 26 23.993 38.600 12.660 177 HD13 ILE 26 HD13 ILE 26 24.636 39.939 13.643 178 H GLN 27 H GLN 27 27.827 36.594 14.938 179 HA GLN 27 HA GLN 27 29.805 37.009 15.809 180 HB2 GLN 27 HB2 GLN 27 28.465 39.187 15.990 181 HB3 GLN 27 HB3 GLN 27 28.463 38.903 17.728 182 HG2 GLN 27 HG2 GLN 27 30.335 40.314 17.283 183 HG3 GLN 27 HG3 GLN 27 31.025 38.732 17.590 184 HE21 GLN 27 HE21 GLN 27 32.912 39.834 14.687 185 HE22 GLN 27 HE22 GLN 27 32.895 39.979 16.433 186 H TYR 28 H TYR 28 29.741 34.746 16.562 187 HA TYR 28 HA TYR 28 31.004 34.748 19.240 188 HB2 TYR 28 HB2 TYR 28 30.005 32.582 19.781 189 HB3 TYR 28 HB3 TYR 28 28.785 33.835 19.656 190 HD1 TYR 28 HD1 TYR 28 29.886 30.592 18.410 191 HD2 TYR 28 HD2 TYR 28 27.375 33.991 17.522 192 HE1 TYR 28 HE1 TYR 28 28.713 29.271 16.666 193 HE2 TYR 28 HE2 TYR 28 26.210 32.678 15.791 194 HH TYR 28 HH TYR 28 27.182 29.340 14.933 195 H LYS 29 H LYS 29 32.885 33.497 19.299 196 HA LYS 29 HA LYS 29 33.883 32.457 16.715 197 HB2 LYS 29 HB2 LYS 29 35.596 31.742 18.931 198 HB3 LYS 29 HB3 LYS 29 35.919 32.721 17.520 199 HG2 LYS 29 HG2 LYS 29 35.034 34.728 18.716 200 HG3 LYS 29 HG3 LYS 29 34.814 33.722 20.167 201 HD2 LYS 29 HD2 LYS 29 37.265 33.168 20.113 202 HD3 LYS 29 HD3 LYS 29 37.433 34.265 18.724 203 HE2 LYS 29 HE2 LYS 29 36.468 36.106 20.147 204 HE3 LYS 29 HE3 LYS 29 36.537 35.011 21.537 205 HZ1 LYS 29 HZ1 LYS 29 38.944 34.907 21.260 206 HZ2 LYS 29 HZ2 LYS 29 38.863 35.834 19.887 207 HZ3 LYS 29 HZ3 LYS 29 38.483 36.488 21.332 208 H TYR 30 H TYR 30 32.784 31.180 19.809 209 HA TYR 30 HA TYR 30 31.906 28.692 18.637 210 HB2 TYR 30 HB2 TYR 30 34.409 28.336 19.002 211 HB3 TYR 30 HB3 TYR 30 34.135 28.563 20.722 212 HD1 TYR 30 HD1 TYR 30 34.144 26.538 21.907 213 HD2 TYR 30 HD2 TYR 30 32.555 26.596 17.895 214 HE1 TYR 30 HE1 TYR 30 33.614 24.110 22.072 215 HE2 TYR 30 HE2 TYR 30 32.009 24.171 18.078 216 HH TYR 30 HH TYR 30 33.283 22.183 20.533 217 H CYS 31 H CYS 31 31.445 27.227 20.908 218 HA CYS 31 HA CYS 31 29.201 28.376 22.073 219 HB2 CYS 31 HB2 CYS 31 31.072 26.292 23.262 220 HB3 CYS 31 HB3 CYS 31 29.386 26.508 23.709 221 H GLN 32 H GLN 32 28.782 29.672 23.842 222 HA GLN 32 HA GLN 32 30.854 31.343 24.793 223 HB2 GLN 32 HB2 GLN 32 28.423 31.898 24.553 224 HB3 GLN 32 HB3 GLN 32 28.092 30.908 25.980 225 HG2 GLN 32 HG2 GLN 32 29.600 32.425 27.320 226 HG3 GLN 32 HG3 GLN 32 29.816 33.418 25.874 227 HE21 GLN 32 HE21 GLN 32 27.219 35.208 27.666 228 HE22 GLN 32 HE22 GLN 32 28.967 35.075 27.498 229 H CYS 33 H CYS 33 29.202 28.710 26.474 230 HA CYS 33 HA CYS 33 29.490 27.561 28.425 231 HB2 CYS 33 HB2 CYS 33 32.328 28.555 28.557 232 HB3 CYS 33 HB3 CYS 33 31.611 27.165 29.334 233 H GLN 34 H GLN 34 29.490 27.657 30.595 234 HA GLN 34 HA GLN 34 28.649 28.438 32.476 235 HB2 GLN 34 HB2 GLN 34 30.885 29.537 32.588 236 HB3 GLN 34 HB3 GLN 34 30.189 31.016 31.958 237 HG2 GLN 34 HG2 GLN 34 28.795 31.272 33.942 238 HG3 GLN 34 HG3 GLN 34 29.302 29.686 34.535 239 HE21 GLN 34 HE21 GLN 34 31.421 31.901 36.484 240 HE22 GLN 34 HE22 GLN 34 29.762 31.327 36.450 Start of MODEL 12 1 H1 GLY 1 H1 GLY 1 25.366 20.287 7.475 2 H2 GLY 1 H2 GLY 1 23.953 20.219 6.634 3 H3 GLY 1 H3 GLY 1 23.928 20.162 8.280 4 HA2 GLY 1 HA2 GLY 1 24.818 22.444 6.650 5 HA3 GLY 1 HA3 GLY 1 23.245 22.321 7.453 6 H SER 2 H SER 2 24.909 24.456 7.941 7 HA SER 2 HA SER 2 26.154 23.960 10.582 8 HB2 SER 2 HB2 SER 2 27.264 25.515 9.001 9 HB3 SER 2 HB3 SER 2 25.885 26.629 9.205 10 HG SER 2 HG SER 2 27.626 25.583 11.216 11 H ALA 3 H ALA 3 25.071 24.102 12.439 12 HA ALA 3 HA ALA 3 22.653 25.796 12.674 13 HB1 ALA 3 HB1 ALA 3 21.336 23.859 13.478 14 HB2 ALA 3 HB2 ALA 3 21.878 23.621 11.809 15 HB3 ALA 3 HB3 ALA 3 22.706 22.782 13.136 16 H CYS 4 H CYS 4 22.205 26.548 14.618 17 HA CYS 4 HA CYS 4 23.957 26.014 16.946 18 HB2 CYS 4 HB2 CYS 4 23.524 28.305 16.655 19 HB3 CYS 4 HB3 CYS 4 21.855 28.031 16.201 20 H GLN 5 H GLN 5 23.467 24.618 18.456 21 HA GLN 5 HA GLN 5 20.728 24.275 19.423 22 HB2 GLN 5 HB2 GLN 5 22.411 21.788 18.873 23 HB3 GLN 5 HB3 GLN 5 20.815 21.888 19.628 24 HG2 GLN 5 HG2 GLN 5 19.836 22.699 17.536 25 HG3 GLN 5 HG3 GLN 5 21.388 22.480 16.716 26 HE21 GLN 5 HE21 GLN 5 18.973 19.421 16.529 27 HE22 GLN 5 HE22 GLN 5 18.520 21.113 16.620 28 H PHE 6 H PHE 6 20.801 24.333 21.706 29 HA PHE 6 HA PHE 6 23.358 24.988 22.832 30 HB2 PHE 6 HB2 PHE 6 22.253 25.314 24.928 31 HB3 PHE 6 HB3 PHE 6 21.299 26.012 23.636 32 HD1 PHE 6 HD1 PHE 6 19.010 25.384 23.323 33 HD2 PHE 6 HD2 PHE 6 21.531 23.050 25.934 34 HE1 PHE 6 HE1 PHE 6 17.035 24.101 24.089 35 HE2 PHE 6 HE2 PHE 6 19.566 21.718 26.634 36 HZ PHE 6 HZ PHE 6 17.307 22.254 25.733 37 H TRP 7 H TRP 7 21.519 21.915 22.905 38 HA TRP 7 HA TRP 7 22.780 20.759 25.086 39 HB2 TRP 7 HB2 TRP 7 21.930 18.699 24.403 40 HB3 TRP 7 HB3 TRP 7 20.797 19.904 23.832 41 HD1 TRP 7 HD1 TRP 7 21.461 20.569 21.042 42 HE1 TRP 7 HE1 TRP 7 21.748 18.933 19.097 43 HE3 TRP 7 HE3 TRP 7 22.429 16.331 23.739 44 HZ2 TRP 7 HZ2 TRP 7 22.339 16.129 18.761 45 HZ3 TRP 7 HZ3 TRP 7 22.852 14.181 22.575 46 HH2 TRP 7 HH2 TRP 7 22.816 14.066 20.090 47 H SER 8 H SER 8 23.971 20.440 21.701 48 HA SER 8 HA SER 8 26.257 18.901 22.312 49 HB2 SER 8 HB2 SER 8 26.019 20.994 20.118 50 HB3 SER 8 HB3 SER 8 27.102 19.588 20.145 51 HG SER 8 HG SER 8 25.153 18.284 20.276 52 H CYS 9 H CYS 9 25.773 22.393 22.624 53 HA CYS 9 HA CYS 9 28.596 22.937 23.228 54 HB2 CYS 9 HB2 CYS 9 26.054 24.565 23.109 55 HB3 CYS 9 HB3 CYS 9 27.477 25.181 23.953 56 H ASN 10 H ASN 10 25.628 22.274 25.068 57 HA ASN 10 HA ASN 10 26.553 23.105 27.624 58 HB2 ASN 10 HB2 ASN 10 24.209 22.552 26.886 59 HB3 ASN 10 HB3 ASN 10 24.610 20.838 26.978 60 HD21 ASN 10 HD21 ASN 10 24.292 20.734 30.519 61 HD22 ASN 10 HD22 ASN 10 24.781 19.853 29.091 62 H SER 11 H SER 11 26.654 19.783 26.169 63 HA SER 11 HA SER 11 28.398 18.617 28.072 64 HB2 SER 11 HB2 SER 11 28.292 18.097 25.081 65 HB3 SER 11 HB3 SER 11 28.959 17.013 26.327 66 HG SER 11 HG SER 11 26.949 16.729 27.160 67 H SER 12 H SER 12 29.200 20.575 25.185 68 HA SER 12 HA SER 12 32.017 20.170 25.189 69 HB2 SER 12 HB2 SER 12 30.546 21.224 23.384 70 HB3 SER 12 HB3 SER 12 30.586 22.716 24.324 71 HG SER 12 HG SER 12 32.517 21.449 22.828 72 H CYS 13 H CYS 13 30.162 22.929 26.591 73 HA CYS 13 HA CYS 13 32.371 24.189 27.861 74 HB2 CYS 13 HB2 CYS 13 29.371 24.198 28.258 75 HB3 CYS 13 HB3 CYS 13 30.435 25.159 29.285 76 H ILE 14 H ILE 14 29.947 21.870 29.320 77 HA ILE 14 HA ILE 14 31.228 21.798 31.845 78 HB ILE 14 HB ILE 14 29.751 19.527 30.463 79 HG12 ILE 14 HG12 ILE 14 28.602 21.372 32.592 80 HG13 ILE 14 HG13 ILE 14 28.508 21.843 30.907 81 HG21 ILE 14 HG21 ILE 14 31.068 18.705 32.339 82 HG22 ILE 14 HG22 ILE 14 30.609 20.105 33.334 83 HG23 ILE 14 HG23 ILE 14 29.410 18.846 32.920 84 HD11 ILE 14 HD11 ILE 14 27.344 19.290 32.081 85 HD12 ILE 14 HD12 ILE 14 26.463 20.727 31.536 86 HD13 ILE 14 HD13 ILE 14 27.334 19.718 30.355 87 H SER 15 H SER 15 32.026 19.888 28.897 88 HA SER 15 HA SER 15 34.059 18.297 30.114 89 HB2 SER 15 HB2 SER 15 33.891 19.209 27.216 90 HB3 SER 15 HB3 SER 15 34.877 17.883 27.855 91 HG SER 15 HG SER 15 32.060 18.107 27.714 92 H ARG 16 H ARG 16 34.172 21.674 29.159 93 HA ARG 16 HA ARG 16 37.117 21.893 29.482 94 HB2 ARG 16 HB2 ARG 16 34.961 24.036 29.196 95 HB3 ARG 16 HB3 ARG 16 36.698 24.320 29.267 96 HG2 ARG 16 HG2 ARG 16 37.004 22.992 27.178 97 HG3 ARG 16 HG3 ARG 16 35.247 22.727 27.147 98 HD2 ARG 16 HD2 ARG 16 35.836 24.536 25.619 99 HD3 ARG 16 HD3 ARG 16 34.834 25.121 26.955 100 HE ARG 16 HE ARG 16 37.675 25.443 27.521 101 HH11 ARG 16 HH11 ARG 16 35.038 26.993 25.784 102 HH12 ARG 16 HH12 ARG 16 35.741 28.575 25.953 103 HH21 ARG 16 HH21 ARG 16 38.528 27.424 27.661 104 HH22 ARG 16 HH22 ARG 16 37.703 28.810 26.944 105 H GLY 17 H GLY 17 34.291 22.255 31.569 106 HA2 GLY 17 HA2 GLY 17 35.176 21.927 33.994 107 HA3 GLY 17 HA3 GLY 17 35.988 23.464 33.720 108 H TYR 18 H TYR 18 33.071 23.746 32.079 109 HA TYR 18 HA TYR 18 31.949 25.393 34.220 110 HB2 TYR 18 HB2 TYR 18 31.233 24.922 31.315 111 HB3 TYR 18 HB3 TYR 18 30.472 26.113 32.338 112 HD1 TYR 18 HD1 TYR 18 33.665 25.197 30.700 113 HD2 TYR 18 HD2 TYR 18 31.539 28.175 32.953 114 HE1 TYR 18 HE1 TYR 18 35.416 26.907 30.108 115 HE2 TYR 18 HE2 TYR 18 33.269 29.845 32.416 116 HH TYR 18 HH TYR 18 35.093 30.305 31.139 117 H ARG 19 H ARG 19 29.289 25.371 33.604 118 HA ARG 19 HA ARG 19 28.231 22.660 34.339 119 HB2 ARG 19 HB2 ARG 19 27.315 25.239 35.654 120 HB3 ARG 19 HB3 ARG 19 26.741 23.607 35.965 121 HG2 ARG 19 HG2 ARG 19 28.174 23.656 37.709 122 HG3 ARG 19 HG3 ARG 19 29.368 23.204 36.500 123 HD2 ARG 19 HD2 ARG 19 30.395 24.995 37.552 124 HD3 ARG 19 HD3 ARG 19 29.661 25.807 36.170 125 HE ARG 19 HE ARG 19 27.922 25.762 38.519 126 HH11 ARG 19 HH11 ARG 19 30.634 27.612 37.216 127 HH12 ARG 19 HH12 ARG 19 30.358 28.868 38.433 128 HH21 ARG 19 HH21 ARG 19 27.729 27.374 39.914 129 HH22 ARG 19 HH22 ARG 19 28.863 28.741 39.854 130 H GLN 20 H GLN 20 28.091 25.021 32.074 131 HA GLN 20 HA GLN 20 25.465 24.386 31.022 132 HB2 GLN 20 HB2 GLN 20 25.245 26.248 32.915 133 HB3 GLN 20 HB3 GLN 20 25.997 27.279 31.732 134 HG2 GLN 20 HG2 GLN 20 24.109 26.892 30.185 135 HG3 GLN 20 HG3 GLN 20 23.366 25.791 31.374 136 HE21 GLN 20 HE21 GLN 20 22.490 28.545 33.600 137 HE22 GLN 20 HE22 GLN 20 22.603 26.790 33.484 138 H GLY 21 H GLY 21 25.270 25.178 28.820 139 HA2 GLY 21 HA2 GLY 21 27.298 26.822 27.656 140 HA3 GLY 21 HA3 GLY 21 27.612 25.144 27.261 141 H TYR 22 H TYR 22 26.926 27.472 25.603 142 HA TYR 22 HA TYR 22 24.820 26.378 23.896 143 HB2 TYR 22 HB2 TYR 22 23.460 28.556 24.141 144 HB3 TYR 22 HB3 TYR 22 23.348 27.371 25.412 145 HD1 TYR 22 HD1 TYR 22 24.032 27.798 27.639 146 HD2 TYR 22 HD2 TYR 22 24.863 30.655 24.533 147 HE1 TYR 22 HE1 TYR 22 24.727 29.463 29.367 148 HE2 TYR 22 HE2 TYR 22 25.499 32.336 26.240 149 HH TYR 22 HH TYR 22 25.234 31.701 29.744 150 H CYS 23 H CYS 23 24.220 28.221 22.234 151 HA CYS 23 HA CYS 23 26.484 28.440 20.548 152 HB2 CYS 23 HB2 CYS 23 23.824 29.884 20.343 153 HB3 CYS 23 HB3 CYS 23 24.903 29.455 19.021 154 H TRP 24 H TRP 24 27.129 30.476 19.371 155 HA TRP 24 HA TRP 24 26.913 32.994 20.911 156 HB2 TRP 24 HB2 TRP 24 28.808 31.460 21.751 157 HB3 TRP 24 HB3 TRP 24 29.654 31.877 20.288 158 HD1 TRP 24 HD1 TRP 24 27.991 33.688 23.272 159 HE1 TRP 24 HE1 TRP 24 29.358 35.770 23.887 160 HE3 TRP 24 HE3 TRP 24 31.359 33.603 19.409 161 HZ2 TRP 24 HZ2 TRP 24 31.422 37.382 22.660 162 HZ3 TRP 24 HZ3 TRP 24 32.972 35.466 19.125 163 HH2 TRP 24 HH2 TRP 24 33.010 37.357 20.733 164 H GLY 25 H GLY 25 25.616 33.202 18.902 165 HA2 GLY 25 HA2 GLY 25 25.369 34.398 16.885 166 HA3 GLY 25 HA3 GLY 25 27.126 34.419 16.653 167 H ILE 26 H ILE 26 27.722 33.187 15.001 168 HA ILE 26 HA ILE 26 26.652 30.447 14.590 169 HB ILE 26 HB ILE 26 26.624 30.868 12.114 170 HG12 ILE 26 HG12 ILE 26 26.462 33.806 12.922 171 HG13 ILE 26 HG13 ILE 26 27.884 33.050 12.202 172 HG21 ILE 26 HG21 ILE 26 24.328 31.602 12.101 173 HG22 ILE 26 HG22 ILE 26 24.586 30.634 13.550 174 HG23 ILE 26 HG23 ILE 26 24.508 32.405 13.673 175 HD11 ILE 26 HD11 ILE 26 26.645 34.256 10.511 176 HD12 ILE 26 HD12 ILE 26 26.588 32.513 10.167 177 HD13 ILE 26 HD13 ILE 26 25.179 33.347 10.871 178 H GLN 27 H GLN 27 28.067 28.996 13.768 179 HA GLN 27 HA GLN 27 30.055 27.954 13.552 180 HB2 GLN 27 HB2 GLN 27 30.726 30.365 11.890 181 HB3 GLN 27 HB3 GLN 27 31.537 28.804 11.790 182 HG2 GLN 27 HG2 GLN 27 29.995 27.998 10.362 183 HG3 GLN 27 HG3 GLN 27 28.689 28.360 11.462 184 HE21 GLN 27 HE21 GLN 27 27.470 30.630 9.039 185 HE22 GLN 27 HE22 GLN 27 27.122 29.259 10.041 186 H TYR 28 H TYR 28 29.878 29.538 15.904 187 HA TYR 28 HA TYR 28 32.334 30.806 16.642 188 HB2 TYR 28 HB2 TYR 28 31.386 30.178 19.013 189 HB3 TYR 28 HB3 TYR 28 30.592 31.379 18.018 190 HD1 TYR 28 HD1 TYR 28 30.302 27.923 19.356 191 HD2 TYR 28 HD2 TYR 28 28.452 30.993 16.972 192 HE1 TYR 28 HE1 TYR 28 28.261 26.515 19.125 193 HE2 TYR 28 HE2 TYR 28 26.417 29.566 16.705 194 HH TYR 28 HH TYR 28 26.068 26.371 18.257 195 H LYS 29 H LYS 29 34.267 29.967 17.163 196 HA LYS 29 HA LYS 29 34.790 27.208 16.785 197 HB2 LYS 29 HB2 LYS 29 36.141 29.339 16.340 198 HB3 LYS 29 HB3 LYS 29 36.611 29.306 18.043 199 HG2 LYS 29 HG2 LYS 29 37.730 27.187 17.772 200 HG3 LYS 29 HG3 LYS 29 36.998 26.924 16.183 201 HD2 LYS 29 HD2 LYS 29 38.897 29.180 16.879 202 HD3 LYS 29 HD3 LYS 29 39.395 27.677 16.081 203 HE2 LYS 29 HE2 LYS 29 37.623 29.902 14.992 204 HE3 LYS 29 HE3 LYS 29 39.214 29.421 14.417 205 HZ1 LYS 29 HZ1 LYS 29 37.478 28.577 12.987 206 HZ2 LYS 29 HZ2 LYS 29 38.222 27.298 13.692 207 HZ3 LYS 29 HZ3 LYS 29 36.714 27.814 14.186 208 H TYR 30 H TYR 30 34.499 29.131 19.727 209 HA TYR 30 HA TYR 30 34.395 26.612 21.334 210 HB2 TYR 30 HB2 TYR 30 35.445 29.287 22.309 211 HB3 TYR 30 HB3 TYR 30 35.365 27.788 23.209 212 HD1 TYR 30 HD1 TYR 30 37.237 29.738 20.727 213 HD2 TYR 30 HD2 TYR 30 36.975 25.936 22.739 214 HE1 TYR 30 HE1 TYR 30 39.582 29.234 20.070 215 HE2 TYR 30 HE2 TYR 30 39.320 25.425 22.061 216 HH TYR 30 HH TYR 30 41.214 27.605 19.975 217 H CYS 31 H CYS 31 32.434 26.312 22.227 218 HA CYS 31 HA CYS 31 30.200 28.033 21.983 219 HB2 CYS 31 HB2 CYS 31 30.788 25.844 24.009 220 HB3 CYS 31 HB3 CYS 31 29.210 26.538 23.721 221 H GLN 32 H GLN 32 28.921 29.127 23.676 222 HA GLN 32 HA GLN 32 30.627 30.610 25.609 223 HB2 GLN 32 HB2 GLN 32 29.089 31.843 24.123 224 HB3 GLN 32 HB3 GLN 32 27.721 31.011 24.847 225 HG2 GLN 32 HG2 GLN 32 27.929 33.204 25.854 226 HG3 GLN 32 HG3 GLN 32 28.314 31.993 27.065 227 HE21 GLN 32 HE21 GLN 32 30.917 34.457 27.681 228 HE22 GLN 32 HE22 GLN 32 29.312 33.907 28.170 229 H CYS 33 H CYS 33 30.424 30.274 27.822 230 HA CYS 33 HA CYS 33 28.849 27.851 28.653 231 HB2 CYS 33 HB2 CYS 33 31.501 28.884 29.680 232 HB3 CYS 33 HB3 CYS 33 30.712 27.351 30.036 233 H GLN 34 H GLN 34 29.317 27.911 31.330 234 HA GLN 34 HA GLN 34 26.963 29.107 32.202 235 HB2 GLN 34 HB2 GLN 34 27.946 27.236 33.346 236 HB3 GLN 34 HB3 GLN 34 29.392 28.152 33.723 237 HG2 GLN 34 HG2 GLN 34 28.145 27.897 35.723 238 HG3 GLN 34 HG3 GLN 34 28.076 29.592 35.283 239 HE21 GLN 34 HE21 GLN 34 24.500 29.475 34.639 240 HE22 GLN 34 HE22 GLN 34 25.985 30.265 34.065 Start of MODEL 13 1 H1 GLY 1 H1 GLY 1 19.568 19.495 11.074 2 H2 GLY 1 H2 GLY 1 20.251 20.742 11.889 3 H3 GLY 1 H3 GLY 1 21.098 19.337 11.665 4 HA2 GLY 1 HA2 GLY 1 21.295 19.653 9.364 5 HA3 GLY 1 HA3 GLY 1 20.182 21.032 9.463 6 H SER 2 H SER 2 21.301 22.813 9.023 7 HA SER 2 HA SER 2 24.089 23.222 9.818 8 HB2 SER 2 HB2 SER 2 22.010 24.991 8.482 9 HB3 SER 2 HB3 SER 2 23.692 25.481 8.780 10 HG SER 2 HG SER 2 24.429 23.955 7.457 11 H ALA 3 H ALA 3 21.087 23.780 11.489 12 HA ALA 3 HA ALA 3 21.903 26.178 12.867 13 HB1 ALA 3 HB1 ALA 3 19.766 24.144 13.630 14 HB2 ALA 3 HB2 ALA 3 19.914 25.811 14.207 15 HB3 ALA 3 HB3 ALA 3 19.546 25.506 12.507 16 H CYS 4 H CYS 4 22.654 26.538 14.879 17 HA CYS 4 HA CYS 4 24.202 24.478 16.298 18 HB2 CYS 4 HB2 CYS 4 25.071 26.741 16.067 19 HB3 CYS 4 HB3 CYS 4 23.651 27.430 16.854 20 H GLN 5 H GLN 5 23.640 23.621 18.328 21 HA GLN 5 HA GLN 5 20.917 24.200 19.389 22 HB2 GLN 5 HB2 GLN 5 22.087 21.426 19.020 23 HB3 GLN 5 HB3 GLN 5 20.539 21.823 19.740 24 HG2 GLN 5 HG2 GLN 5 21.230 22.332 16.825 25 HG3 GLN 5 HG3 GLN 5 20.429 20.904 17.448 26 HE21 GLN 5 HE21 GLN 5 17.633 22.824 16.219 27 HE22 GLN 5 HE22 GLN 5 18.900 21.713 15.702 28 H PHE 6 H PHE 6 20.837 24.444 21.574 29 HA PHE 6 HA PHE 6 23.296 24.895 22.873 30 HB2 PHE 6 HB2 PHE 6 22.096 25.378 24.858 31 HB3 PHE 6 HB3 PHE 6 21.231 26.054 23.495 32 HD1 PHE 6 HD1 PHE 6 18.912 25.556 23.208 33 HD2 PHE 6 HD2 PHE 6 21.280 23.221 25.958 34 HE1 PHE 6 HE1 PHE 6 16.863 24.395 23.999 35 HE2 PHE 6 HE2 PHE 6 19.246 22.012 26.698 36 HZ PHE 6 HZ PHE 6 17.029 22.613 25.732 37 H TRP 7 H TRP 7 21.284 21.899 23.075 38 HA TRP 7 HA TRP 7 22.605 20.799 25.290 39 HB2 TRP 7 HB2 TRP 7 21.622 18.791 24.754 40 HB3 TRP 7 HB3 TRP 7 20.521 19.966 24.102 41 HD1 TRP 7 HD1 TRP 7 20.872 20.340 21.311 42 HE1 TRP 7 HE1 TRP 7 21.460 18.676 19.457 43 HE3 TRP 7 HE3 TRP 7 22.719 16.570 24.219 44 HZ2 TRP 7 HZ2 TRP 7 22.617 16.034 19.265 45 HZ3 TRP 7 HZ3 TRP 7 23.544 14.476 23.166 46 HH2 TRP 7 HH2 TRP 7 23.496 14.196 20.698 47 H SER 8 H SER 8 23.752 20.835 21.944 48 HA SER 8 HA SER 8 26.016 19.030 22.478 49 HB2 SER 8 HB2 SER 8 24.839 19.209 20.270 50 HB3 SER 8 HB3 SER 8 25.528 20.820 20.072 51 HG SER 8 HG SER 8 26.767 19.156 19.082 52 H CYS 9 H CYS 9 25.431 22.482 22.641 53 HA CYS 9 HA CYS 9 28.252 23.231 23.002 54 HB2 CYS 9 HB2 CYS 9 25.576 24.610 23.392 55 HB3 CYS 9 HB3 CYS 9 27.059 25.315 23.985 56 H ASN 10 H ASN 10 25.491 22.435 25.096 57 HA ASN 10 HA ASN 10 26.482 23.263 27.540 58 HB2 ASN 10 HB2 ASN 10 24.157 22.688 26.974 59 HB3 ASN 10 HB3 ASN 10 24.578 20.996 26.858 60 HD21 ASN 10 HD21 ASN 10 24.125 20.529 30.319 61 HD22 ASN 10 HD22 ASN 10 24.438 19.784 28.743 62 H SER 11 H SER 11 26.591 19.808 26.448 63 HA SER 11 HA SER 11 28.455 18.989 28.442 64 HB2 SER 11 HB2 SER 11 28.822 17.034 26.962 65 HB3 SER 11 HB3 SER 11 27.120 17.386 27.288 66 HG SER 11 HG SER 11 26.968 17.247 25.238 67 H SER 12 H SER 12 29.031 20.520 25.311 68 HA SER 12 HA SER 12 31.872 20.108 25.218 69 HB2 SER 12 HB2 SER 12 30.523 20.833 23.273 70 HB3 SER 12 HB3 SER 12 30.294 22.419 24.031 71 HG SER 12 HG SER 12 32.684 21.158 23.193 72 H CYS 13 H CYS 13 29.992 22.936 26.510 73 HA CYS 13 HA CYS 13 32.242 24.316 27.604 74 HB2 CYS 13 HB2 CYS 13 29.277 24.250 28.245 75 HB3 CYS 13 HB3 CYS 13 30.397 25.217 29.185 76 H ILE 14 H ILE 14 30.012 21.903 29.205 77 HA ILE 14 HA ILE 14 31.445 21.850 31.640 78 HB ILE 14 HB ILE 14 30.011 19.532 30.299 79 HG12 ILE 14 HG12 ILE 14 28.957 21.272 32.557 80 HG13 ILE 14 HG13 ILE 14 28.700 21.768 30.896 81 HG21 ILE 14 HG21 ILE 14 31.511 18.719 32.032 82 HG22 ILE 14 HG22 ILE 14 31.072 20.062 33.106 83 HG23 ILE 14 HG23 ILE 14 29.902 18.761 32.757 84 HD11 ILE 14 HD11 ILE 14 27.727 19.151 32.099 85 HD12 ILE 14 HD12 ILE 14 26.750 20.578 31.708 86 HD13 ILE 14 HD13 ILE 14 27.517 19.654 30.407 87 H SER 15 H SER 15 32.181 20.030 28.628 88 HA SER 15 HA SER 15 34.464 18.654 29.633 89 HB2 SER 15 HB2 SER 15 33.946 19.586 26.793 90 HB3 SER 15 HB3 SER 15 35.126 18.372 27.302 91 HG SER 15 HG SER 15 32.292 18.255 27.499 92 H ARG 16 H ARG 16 34.174 22.050 28.739 93 HA ARG 16 HA ARG 16 37.105 22.507 28.714 94 HB2 ARG 16 HB2 ARG 16 34.781 24.477 28.789 95 HB3 ARG 16 HB3 ARG 16 36.487 24.907 28.698 96 HG2 ARG 16 HG2 ARG 16 36.682 23.745 26.516 97 HG3 ARG 16 HG3 ARG 16 34.974 23.276 26.649 98 HD2 ARG 16 HD2 ARG 16 35.223 25.202 25.157 99 HD3 ARG 16 HD3 ARG 16 34.244 25.568 26.580 100 HE ARG 16 HE ARG 16 37.130 26.260 26.765 101 HH11 ARG 16 HH11 ARG 16 34.005 27.573 25.865 102 HH12 ARG 16 HH12 ARG 16 34.384 29.132 26.596 103 HH21 ARG 16 HH21 ARG 16 37.641 28.233 27.308 104 HH22 ARG 16 HH22 ARG 16 36.503 29.569 27.190 105 H GLY 17 H GLY 17 34.452 22.699 31.033 106 HA2 GLY 17 HA2 GLY 17 35.583 22.158 33.343 107 HA3 GLY 17 HA3 GLY 17 36.233 23.785 33.161 108 H TYR 18 H TYR 18 33.181 23.928 31.772 109 HA TYR 18 HA TYR 18 32.166 25.361 34.107 110 HB2 TYR 18 HB2 TYR 18 31.143 25.045 31.272 111 HB3 TYR 18 HB3 TYR 18 30.505 26.161 32.460 112 HD1 TYR 18 HD1 TYR 18 33.430 25.407 30.349 113 HD2 TYR 18 HD2 TYR 18 31.651 28.225 33.058 114 HE1 TYR 18 HE1 TYR 18 35.130 27.114 29.679 115 HE2 TYR 18 HE2 TYR 18 33.344 29.922 32.418 116 HH TYR 18 HH TYR 18 35.106 30.422 30.991 117 H ARG 19 H ARG 19 29.432 25.190 33.644 118 HA ARG 19 HA ARG 19 28.613 22.390 34.353 119 HB2 ARG 19 HB2 ARG 19 28.060 24.907 35.953 120 HB3 ARG 19 HB3 ARG 19 26.946 23.556 35.970 121 HG2 ARG 19 HG2 ARG 19 28.156 22.926 37.756 122 HG3 ARG 19 HG3 ARG 19 29.086 22.109 36.511 123 HD2 ARG 19 HD2 ARG 19 30.670 23.098 37.912 124 HD3 ARG 19 HD3 ARG 19 30.626 24.176 36.506 125 HE ARG 19 HE ARG 19 28.798 25.055 38.584 126 HH11 ARG 19 HH11 ARG 19 32.235 24.988 37.917 127 HH12 ARG 19 HH12 ARG 19 32.554 26.389 38.923 128 HH21 ARG 19 HH21 ARG 19 29.312 26.470 40.105 129 HH22 ARG 19 HH22 ARG 19 30.855 27.301 40.110 130 H GLN 20 H GLN 20 28.173 24.821 32.185 131 HA GLN 20 HA GLN 20 25.703 23.874 31.146 132 HB2 GLN 20 HB2 GLN 20 25.122 25.506 33.166 133 HB3 GLN 20 HB3 GLN 20 25.637 26.755 32.047 134 HG2 GLN 20 HG2 GLN 20 23.392 26.767 31.658 135 HG3 GLN 20 HG3 GLN 20 23.835 25.590 30.431 136 HE21 GLN 20 HE21 GLN 20 22.212 22.878 32.167 137 HE22 GLN 20 HE22 GLN 20 23.395 23.256 30.944 138 H GLY 21 H GLY 21 25.178 24.956 29.021 139 HA2 GLY 21 HA2 GLY 21 26.898 26.939 27.953 140 HA3 GLY 21 HA3 GLY 21 27.419 25.352 27.381 141 H TYR 22 H TYR 22 26.496 27.482 25.804 142 HA TYR 22 HA TYR 22 24.254 26.402 24.288 143 HB2 TYR 22 HB2 TYR 22 23.021 28.730 24.781 144 HB3 TYR 22 HB3 TYR 22 22.787 27.278 25.749 145 HD1 TYR 22 HD1 TYR 22 22.746 27.413 28.008 146 HD2 TYR 22 HD2 TYR 22 25.084 30.264 25.779 147 HE1 TYR 22 HE1 TYR 22 23.458 28.504 30.134 148 HE2 TYR 22 HE2 TYR 22 25.834 31.310 27.925 149 HH TYR 22 HH TYR 22 26.050 30.729 30.314 150 H CYS 23 H CYS 23 23.632 28.051 22.460 151 HA CYS 23 HA CYS 23 26.114 28.560 21.121 152 HB2 CYS 23 HB2 CYS 23 23.313 29.385 20.310 153 HB3 CYS 23 HB3 CYS 23 24.707 29.260 19.247 154 H TRP 24 H TRP 24 26.945 30.574 20.296 155 HA TRP 24 HA TRP 24 26.731 32.827 22.150 156 HB2 TRP 24 HB2 TRP 24 28.700 31.712 20.379 157 HB3 TRP 24 HB3 TRP 24 28.524 33.375 19.951 158 HD1 TRP 24 HD1 TRP 24 30.582 31.386 21.961 159 HE1 TRP 24 HE1 TRP 24 31.695 32.634 23.902 160 HE3 TRP 24 HE3 TRP 24 27.601 35.562 22.043 161 HZ2 TRP 24 HZ2 TRP 24 31.398 35.168 25.242 162 HZ3 TRP 24 HZ3 TRP 24 28.078 37.392 23.632 163 HH2 TRP 24 HH2 TRP 24 29.971 37.218 25.235 164 H GLY 25 H GLY 25 27.375 34.733 19.733 165 HA2 GLY 25 HA2 GLY 25 24.771 35.858 19.378 166 HA3 GLY 25 HA3 GLY 25 26.254 36.316 18.546 167 H ILE 26 H ILE 26 26.483 35.755 16.382 168 HA ILE 26 HA ILE 26 24.459 33.865 15.221 169 HB ILE 26 HB ILE 26 25.526 36.464 14.098 170 HG12 ILE 26 HG12 ILE 26 22.755 35.501 14.962 171 HG13 ILE 26 HG13 ILE 26 23.730 36.749 15.734 172 HG21 ILE 26 HG21 ILE 26 24.173 36.015 12.083 173 HG22 ILE 26 HG22 ILE 26 25.394 34.780 12.269 174 HG23 ILE 26 HG23 ILE 26 23.712 34.424 12.726 175 HD11 ILE 26 HD11 ILE 26 22.009 37.854 14.532 176 HD12 ILE 26 HD12 ILE 26 23.512 38.133 13.628 177 HD13 ILE 26 HD13 ILE 26 22.322 36.940 13.054 178 H GLN 27 H GLN 27 27.834 35.053 14.899 179 HA GLN 27 HA GLN 27 28.520 32.346 13.918 180 HB2 GLN 27 HB2 GLN 27 29.707 32.995 12.046 181 HB3 GLN 27 HB3 GLN 27 28.234 33.923 11.975 182 HG2 GLN 27 HG2 GLN 27 29.741 35.539 11.389 183 HG3 GLN 27 HG3 GLN 27 29.648 35.845 13.115 184 HE21 GLN 27 HE21 GLN 27 33.260 35.764 12.088 185 HE22 GLN 27 HE22 GLN 27 31.885 36.849 11.873 186 H TYR 28 H TYR 28 30.389 31.499 14.674 187 HA TYR 28 HA TYR 28 32.214 32.976 16.462 188 HB2 TYR 28 HB2 TYR 28 31.289 31.310 18.333 189 HB3 TYR 28 HB3 TYR 28 30.523 32.855 18.041 190 HD1 TYR 28 HD1 TYR 28 28.209 33.005 17.555 191 HD2 TYR 28 HD2 TYR 28 30.250 29.242 16.972 192 HE1 TYR 28 HE1 TYR 28 26.062 31.938 16.885 193 HE2 TYR 28 HE2 TYR 28 28.109 28.207 16.238 194 HH TYR 28 HH TYR 28 25.010 29.973 16.279 195 H LYS 29 H LYS 29 33.954 31.577 17.298 196 HA LYS 29 HA LYS 29 34.516 29.151 15.737 197 HB2 LYS 29 HB2 LYS 29 35.879 30.351 18.194 198 HB3 LYS 29 HB3 LYS 29 36.472 28.996 17.239 199 HG2 LYS 29 HG2 LYS 29 36.511 30.455 15.210 200 HG3 LYS 29 HG3 LYS 29 36.038 31.838 16.228 201 HD2 LYS 29 HD2 LYS 29 38.109 31.565 17.568 202 HD3 LYS 29 HD3 LYS 29 38.557 30.168 16.569 203 HE2 LYS 29 HE2 LYS 29 38.257 31.733 14.548 204 HE3 LYS 29 HE3 LYS 29 38.229 33.061 15.716 205 HZ1 LYS 29 HZ1 LYS 29 40.427 31.071 15.399 206 HZ2 LYS 29 HZ2 LYS 29 40.506 32.611 14.813 207 HZ3 LYS 29 HZ3 LYS 29 40.468 32.297 16.446 208 H TYR 30 H TYR 30 33.223 29.826 18.984 209 HA TYR 30 HA TYR 30 32.514 26.983 19.399 210 HB2 TYR 30 HB2 TYR 30 33.782 27.051 21.627 211 HB3 TYR 30 HB3 TYR 30 34.712 26.849 20.163 212 HD1 TYR 30 HD1 TYR 30 33.439 29.743 22.279 213 HD2 TYR 30 HD2 TYR 30 36.717 28.004 20.056 214 HE1 TYR 30 HE1 TYR 30 34.849 31.719 22.789 215 HE2 TYR 30 HE2 TYR 30 38.132 29.971 20.624 216 HH TYR 30 HH TYR 30 38.261 31.816 22.183 217 H CYS 31 H CYS 31 31.527 26.733 21.679 218 HA CYS 31 HA CYS 31 29.252 28.472 21.744 219 HB2 CYS 31 HB2 CYS 31 30.123 26.212 23.581 220 HB3 CYS 31 HB3 CYS 31 28.500 26.890 23.478 221 H GLN 32 H GLN 32 28.237 29.219 23.765 222 HA GLN 32 HA GLN 32 30.056 30.730 25.571 223 HB2 GLN 32 HB2 GLN 32 28.201 31.874 24.238 224 HB3 GLN 32 HB3 GLN 32 27.051 30.947 25.178 225 HG2 GLN 32 HG2 GLN 32 27.992 32.041 27.271 226 HG3 GLN 32 HG3 GLN 32 29.052 32.990 26.224 227 HE21 GLN 32 HE21 GLN 32 26.550 35.445 25.793 228 HE22 GLN 32 HE22 GLN 32 28.255 35.033 25.740 229 H CYS 33 H CYS 33 29.802 30.462 27.866 230 HA CYS 33 HA CYS 33 28.608 27.806 28.751 231 HB2 CYS 33 HB2 CYS 33 31.238 29.066 29.554 232 HB3 CYS 33 HB3 CYS 33 30.606 27.481 29.984 233 H GLN 34 H GLN 34 29.120 27.757 31.281 234 HA GLN 34 HA GLN 34 26.803 28.724 32.368 235 HB2 GLN 34 HB2 GLN 34 28.074 26.832 33.245 236 HB3 GLN 34 HB3 GLN 34 29.373 27.902 33.753 237 HG2 GLN 34 HG2 GLN 34 28.165 27.258 35.696 238 HG3 GLN 34 HG3 GLN 34 27.843 28.958 35.422 239 HE21 GLN 34 HE21 GLN 34 24.349 28.320 34.505 240 HE22 GLN 34 HE22 GLN 34 25.697 29.423 34.154 Start of MODEL 14 1 H1 GLY 1 H1 GLY 1 15.550 30.191 12.161 2 H2 GLY 1 H2 GLY 1 14.314 29.924 13.138 3 H3 GLY 1 H3 GLY 1 14.026 29.954 11.509 4 HA2 GLY 1 HA2 GLY 1 14.022 27.691 12.250 5 HA3 GLY 1 HA3 GLY 1 15.439 28.017 11.240 6 H SER 2 H SER 2 17.328 27.354 12.025 7 HA SER 2 HA SER 2 18.184 27.508 14.756 8 HB2 SER 2 HB2 SER 2 16.796 25.560 15.147 9 HB3 SER 2 HB3 SER 2 17.394 24.796 13.642 10 HG SER 2 HG SER 2 18.662 25.063 16.162 11 H ALA 3 H ALA 3 20.422 27.252 14.912 12 HA ALA 3 HA ALA 3 21.947 26.345 12.510 13 HB1 ALA 3 HB1 ALA 3 22.346 28.948 14.014 14 HB2 ALA 3 HB2 ALA 3 23.365 28.339 12.687 15 HB3 ALA 3 HB3 ALA 3 21.665 28.778 12.380 16 H CYS 4 H CYS 4 21.866 26.626 16.034 17 HA CYS 4 HA CYS 4 24.026 24.633 16.259 18 HB2 CYS 4 HB2 CYS 4 25.340 26.654 16.233 19 HB3 CYS 4 HB3 CYS 4 24.223 27.461 17.331 20 H GLN 5 H GLN 5 22.880 23.141 17.422 21 HA GLN 5 HA GLN 5 20.880 23.892 19.395 22 HB2 GLN 5 HB2 GLN 5 22.155 21.173 18.941 23 HB3 GLN 5 HB3 GLN 5 20.673 21.548 19.844 24 HG2 GLN 5 HG2 GLN 5 19.581 22.329 17.802 25 HG3 GLN 5 HG3 GLN 5 21.026 21.953 16.861 26 HE21 GLN 5 HE21 GLN 5 19.145 18.999 16.168 27 HE22 GLN 5 HE22 GLN 5 19.513 20.633 15.596 28 H PHE 6 H PHE 6 21.188 24.432 21.476 29 HA PHE 6 HA PHE 6 23.690 24.868 22.601 30 HB2 PHE 6 HB2 PHE 6 22.463 25.322 24.708 31 HB3 PHE 6 HB3 PHE 6 21.777 26.106 23.317 32 HD1 PHE 6 HD1 PHE 6 19.475 25.817 22.726 33 HD2 PHE 6 HD2 PHE 6 21.310 23.151 25.579 34 HE1 PHE 6 HE1 PHE 6 17.263 24.765 23.165 35 HE2 PHE 6 HE2 PHE 6 19.110 22.066 25.991 36 HZ PHE 6 HZ PHE 6 17.092 22.862 24.763 37 H TRP 7 H TRP 7 21.746 21.875 22.913 38 HA TRP 7 HA TRP 7 23.143 20.796 25.135 39 HB2 TRP 7 HB2 TRP 7 22.098 18.802 24.689 40 HB3 TRP 7 HB3 TRP 7 20.980 19.977 24.019 41 HD1 TRP 7 HD1 TRP 7 20.949 20.123 21.302 42 HE1 TRP 7 HE1 TRP 7 21.453 18.433 19.469 43 HE3 TRP 7 HE3 TRP 7 23.368 16.659 24.150 44 HZ2 TRP 7 HZ2 TRP 7 22.945 15.929 19.240 45 HZ3 TRP 7 HZ3 TRP 7 24.322 14.608 23.101 46 HH2 TRP 7 HH2 TRP 7 24.133 14.254 20.656 47 H SER 8 H SER 8 24.136 20.963 21.757 48 HA SER 8 HA SER 8 26.336 19.084 21.915 49 HB2 SER 8 HB2 SER 8 27.037 19.953 19.819 50 HB3 SER 8 HB3 SER 8 25.272 19.877 19.780 51 HG SER 8 HG SER 8 25.179 22.099 20.039 52 H CYS 9 H CYS 9 26.093 22.612 22.382 53 HA CYS 9 HA CYS 9 28.865 23.067 23.077 54 HB2 CYS 9 HB2 CYS 9 26.303 24.604 23.644 55 HB3 CYS 9 HB3 CYS 9 27.921 25.203 23.989 56 H ASN 10 H ASN 10 25.908 22.367 24.976 57 HA ASN 10 HA ASN 10 26.833 23.100 27.491 58 HB2 ASN 10 HB2 ASN 10 24.480 22.600 26.795 59 HB3 ASN 10 HB3 ASN 10 24.852 20.880 26.842 60 HD21 ASN 10 HD21 ASN 10 24.419 20.761 30.373 61 HD22 ASN 10 HD22 ASN 10 24.591 19.870 28.854 62 H SER 11 H SER 11 26.865 19.717 26.217 63 HA SER 11 HA SER 11 28.383 18.634 28.373 64 HB2 SER 11 HB2 SER 11 28.807 16.749 26.936 65 HB3 SER 11 HB3 SER 11 27.143 17.288 26.683 66 HG SER 11 HG SER 11 27.650 17.464 24.661 67 H SER 12 H SER 12 29.450 20.224 25.361 68 HA SER 12 HA SER 12 32.222 19.627 25.593 69 HB2 SER 12 HB2 SER 12 31.241 20.400 23.505 70 HB3 SER 12 HB3 SER 12 30.825 21.958 24.234 71 HG SER 12 HG SER 12 33.361 20.910 23.560 72 H CYS 13 H CYS 13 30.395 22.537 26.704 73 HA CYS 13 HA CYS 13 32.585 23.839 27.983 74 HB2 CYS 13 HB2 CYS 13 29.569 23.933 28.355 75 HB3 CYS 13 HB3 CYS 13 30.676 24.958 29.254 76 H ILE 14 H ILE 14 29.963 21.814 29.524 77 HA ILE 14 HA ILE 14 31.088 21.900 32.091 78 HB ILE 14 HB ILE 14 29.468 19.655 30.834 79 HG12 ILE 14 HG12 ILE 14 28.580 21.954 32.628 80 HG13 ILE 14 HG13 ILE 14 28.458 22.047 30.888 81 HG21 ILE 14 HG21 ILE 14 30.614 18.879 32.861 82 HG22 ILE 14 HG22 ILE 14 30.186 20.371 33.714 83 HG23 ILE 14 HG23 ILE 14 28.931 19.181 33.287 84 HD11 ILE 14 HD11 ILE 14 26.974 20.094 32.674 85 HD12 ILE 14 HD12 ILE 14 26.325 21.437 31.719 86 HD13 ILE 14 HD13 ILE 14 26.997 20.017 30.894 87 H SER 15 H SER 15 31.948 19.660 29.446 88 HA SER 15 HA SER 15 33.769 18.041 30.896 89 HB2 SER 15 HB2 SER 15 33.904 18.860 27.979 90 HB3 SER 15 HB3 SER 15 34.725 17.475 28.712 91 HG SER 15 HG SER 15 31.976 17.929 28.266 92 H ARG 16 H ARG 16 34.227 21.336 29.758 93 HA ARG 16 HA ARG 16 37.163 21.390 30.193 94 HB2 ARG 16 HB2 ARG 16 35.160 23.640 29.696 95 HB3 ARG 16 HB3 ARG 16 36.910 23.823 29.777 96 HG2 ARG 16 HG2 ARG 16 37.250 22.566 27.770 97 HG3 ARG 16 HG3 ARG 16 35.596 21.961 27.793 98 HD2 ARG 16 HD2 ARG 16 35.900 23.626 26.056 99 HD3 ARG 16 HD3 ARG 16 34.684 24.116 27.237 100 HE ARG 16 HE ARG 16 37.056 25.313 28.127 101 HH11 ARG 16 HH11 ARG 16 35.448 25.487 25.002 102 HH12 ARG 16 HH12 ARG 16 35.858 27.162 24.828 103 HH21 ARG 16 HH21 ARG 16 37.483 27.372 27.834 104 HH22 ARG 16 HH22 ARG 16 36.831 28.271 26.461 105 H GLY 17 H GLY 17 34.244 22.183 31.975 106 HA2 GLY 17 HA2 GLY 17 34.934 21.798 34.495 107 HA3 GLY 17 HA3 GLY 17 35.782 23.326 34.254 108 H TYR 18 H TYR 18 33.121 23.750 32.330 109 HA TYR 18 HA TYR 18 31.888 25.485 34.292 110 HB2 TYR 18 HB2 TYR 18 31.244 24.788 31.411 111 HB3 TYR 18 HB3 TYR 18 30.527 26.115 32.296 112 HD1 TYR 18 HD1 TYR 18 32.025 27.944 33.258 113 HD2 TYR 18 HD2 TYR 18 33.400 25.052 30.401 114 HE1 TYR 18 HE1 TYR 18 33.906 29.466 32.634 115 HE2 TYR 18 HE2 TYR 18 35.317 26.548 29.801 116 HH TYR 18 HH TYR 18 35.582 29.853 30.989 117 H ARG 19 H ARG 19 29.291 25.513 33.666 118 HA ARG 19 HA ARG 19 28.048 22.905 34.459 119 HB2 ARG 19 HB2 ARG 19 27.645 25.565 35.876 120 HB3 ARG 19 HB3 ARG 19 26.567 24.186 36.018 121 HG2 ARG 19 HG2 ARG 19 27.787 23.636 37.798 122 HG3 ARG 19 HG3 ARG 19 28.832 22.876 36.612 123 HD2 ARG 19 HD2 ARG 19 30.217 24.073 38.112 124 HD3 ARG 19 HD3 ARG 19 30.227 25.014 36.610 125 HE ARG 19 HE ARG 19 28.125 26.040 38.195 126 HH11 ARG 19 HH11 ARG 19 31.437 25.476 39.203 127 HH12 ARG 19 HH12 ARG 19 31.326 26.841 40.291 128 HH21 ARG 19 HH21 ARG 19 28.311 27.963 39.172 129 HH22 ARG 19 HH22 ARG 19 29.711 28.306 40.167 130 H GLN 20 H GLN 20 28.156 25.122 32.089 131 HA GLN 20 HA GLN 20 25.749 24.234 30.942 132 HB2 GLN 20 HB2 GLN 20 25.102 26.331 32.490 133 HB3 GLN 20 HB3 GLN 20 25.760 27.226 31.136 134 HG2 GLN 20 HG2 GLN 20 23.516 27.187 30.623 135 HG3 GLN 20 HG3 GLN 20 24.079 25.835 29.657 136 HE21 GLN 20 HE21 GLN 20 22.342 23.426 31.797 137 HE22 GLN 20 HE22 GLN 20 23.731 23.554 30.724 138 H GLY 21 H GLY 21 25.481 25.156 28.676 139 HA2 GLY 21 HA2 GLY 21 27.455 26.842 27.529 140 HA3 GLY 21 HA3 GLY 21 27.781 25.171 27.054 141 H TYR 22 H TYR 22 27.108 27.394 25.387 142 HA TYR 22 HA TYR 22 24.877 26.483 23.734 143 HB2 TYR 22 HB2 TYR 22 23.688 28.762 24.096 144 HB3 TYR 22 HB3 TYR 22 23.466 27.500 25.298 145 HD1 TYR 22 HD1 TYR 22 25.393 30.657 24.644 146 HD2 TYR 22 HD2 TYR 22 24.060 27.761 27.542 147 HE1 TYR 22 HE1 TYR 22 26.374 32.042 26.469 148 HE2 TYR 22 HE2 TYR 22 25.089 29.132 29.371 149 HH TYR 22 HH TYR 22 26.533 30.869 29.833 150 H CYS 23 H CYS 23 24.682 27.876 21.744 151 HA CYS 23 HA CYS 23 27.184 29.306 21.063 152 HB2 CYS 23 HB2 CYS 23 24.743 28.466 19.533 153 HB3 CYS 23 HB3 CYS 23 25.800 29.719 18.910 154 H TRP 24 H TRP 24 26.945 31.524 19.957 155 HA TRP 24 HA TRP 24 25.981 33.216 22.097 156 HB2 TRP 24 HB2 TRP 24 27.252 34.196 19.568 157 HB3 TRP 24 HB3 TRP 24 27.223 34.959 21.130 158 HD1 TRP 24 HD1 TRP 24 28.347 31.689 22.123 159 HE1 TRP 24 HE1 TRP 24 30.900 31.464 22.089 160 HE3 TRP 24 HE3 TRP 24 29.524 35.845 19.372 161 HZ2 TRP 24 HZ2 TRP 24 33.161 33.040 21.301 162 HZ3 TRP 24 HZ3 TRP 24 31.907 36.483 19.040 163 HH2 TRP 24 HH2 TRP 24 33.724 35.110 20.018 164 H GLY 25 H GLY 25 23.990 32.085 19.834 165 HA2 GLY 25 HA2 GLY 25 21.869 32.746 19.261 166 HA3 GLY 25 HA3 GLY 25 22.140 34.288 20.071 167 H ILE 26 H ILE 26 24.228 35.355 18.633 168 HA ILE 26 HA ILE 26 23.549 35.437 15.743 169 HB ILE 26 HB ILE 26 23.521 37.821 17.641 170 HG12 ILE 26 HG12 ILE 26 21.380 36.700 15.774 171 HG13 ILE 26 HG13 ILE 26 21.389 36.606 17.537 172 HG21 ILE 26 HG21 ILE 26 23.429 37.881 14.588 173 HG22 ILE 26 HG22 ILE 26 23.233 39.277 15.670 174 HG23 ILE 26 HG23 ILE 26 24.763 38.467 15.613 175 HD11 ILE 26 HD11 ILE 26 20.998 39.103 15.872 176 HD12 ILE 26 HD12 ILE 26 19.881 38.320 16.996 177 HD13 ILE 26 HD13 ILE 26 21.326 39.114 17.626 178 H GLN 27 H GLN 27 25.354 35.844 14.481 179 HA GLN 27 HA GLN 27 27.535 35.968 13.902 180 HB2 GLN 27 HB2 GLN 27 26.787 38.300 14.250 181 HB3 GLN 27 HB3 GLN 27 27.445 38.250 15.888 182 HG2 GLN 27 HG2 GLN 27 28.999 39.411 14.493 183 HG3 GLN 27 HG3 GLN 27 29.737 37.897 14.936 184 HE21 GLN 27 HE21 GLN 27 28.554 38.212 11.005 185 HE22 GLN 27 HE22 GLN 27 27.426 38.816 12.213 186 H TYR 28 H TYR 28 28.126 33.916 14.715 187 HA TYR 28 HA TYR 28 30.478 33.990 16.499 188 HB2 TYR 28 HB2 TYR 28 29.650 32.171 17.918 189 HB3 TYR 28 HB3 TYR 28 28.659 33.605 18.046 190 HD1 TYR 28 HD1 TYR 28 28.802 30.146 16.667 191 HD2 TYR 28 HD2 TYR 28 26.319 33.581 17.424 192 HE1 TYR 28 HE1 TYR 28 26.797 28.853 15.965 193 HE2 TYR 28 HE2 TYR 28 24.304 32.272 16.775 194 HH TYR 28 HH TYR 28 23.510 30.095 16.230 195 H LYS 29 H LYS 29 31.808 32.149 16.349 196 HA LYS 29 HA LYS 29 31.304 30.204 14.126 197 HB2 LYS 29 HB2 LYS 29 33.959 31.049 15.377 198 HB3 LYS 29 HB3 LYS 29 33.755 29.951 14.031 199 HG2 LYS 29 HG2 LYS 29 33.360 32.958 14.088 200 HG3 LYS 29 HG3 LYS 29 34.555 32.028 13.198 201 HD2 LYS 29 HD2 LYS 29 31.609 32.359 12.588 202 HD3 LYS 29 HD3 LYS 29 33.007 32.776 11.596 203 HE2 LYS 29 HE2 LYS 29 33.513 30.236 11.564 204 HE3 LYS 29 HE3 LYS 29 31.891 30.032 12.253 205 HZ1 LYS 29 HZ1 LYS 29 32.614 31.194 9.623 206 HZ2 LYS 29 HZ2 LYS 29 31.725 29.868 9.866 207 HZ3 LYS 29 HZ3 LYS 29 31.099 31.348 10.239 208 H TYR 30 H TYR 30 31.784 30.527 17.550 209 HA TYR 30 HA TYR 30 31.809 27.592 17.982 210 HB2 TYR 30 HB2 TYR 30 33.745 29.546 19.261 211 HB3 TYR 30 HB3 TYR 30 33.692 27.811 19.527 212 HD1 TYR 30 HD1 TYR 30 35.171 30.465 17.623 213 HD2 TYR 30 HD2 TYR 30 34.219 26.266 17.490 214 HE1 TYR 30 HE1 TYR 30 36.857 30.142 15.823 215 HE2 TYR 30 HE2 TYR 30 35.916 25.948 15.688 216 HH TYR 30 HH TYR 30 37.247 27.060 14.111 217 H CYS 31 H CYS 31 31.708 27.223 20.518 218 HA CYS 31 HA CYS 31 29.250 28.520 21.396 219 HB2 CYS 31 HB2 CYS 31 31.012 26.439 22.722 220 HB3 CYS 31 HB3 CYS 31 29.378 26.843 23.214 221 H GLN 32 H GLN 32 28.946 28.908 23.768 222 HA GLN 32 HA GLN 32 31.178 30.075 25.308 223 HB2 GLN 32 HB2 GLN 32 28.721 31.501 24.433 224 HB3 GLN 32 HB3 GLN 32 28.939 31.519 26.167 225 HG2 GLN 32 HG2 GLN 32 31.099 32.376 24.200 226 HG3 GLN 32 HG3 GLN 32 29.972 33.472 24.997 227 HE21 GLN 32 HE21 GLN 32 33.022 33.634 27.032 228 HE22 GLN 32 HE22 GLN 32 32.432 34.247 25.490 229 H CYS 33 H CYS 33 30.539 30.165 27.645 230 HA CYS 33 HA CYS 33 29.126 27.619 28.467 231 HB2 CYS 33 HB2 CYS 33 31.849 28.613 29.337 232 HB3 CYS 33 HB3 CYS 33 31.045 27.125 29.810 233 H GLN 34 H GLN 34 29.064 27.404 30.820 234 HA GLN 34 HA GLN 34 28.168 27.868 32.762 235 HB2 GLN 34 HB2 GLN 34 30.339 29.369 32.695 236 HB3 GLN 34 HB3 GLN 34 29.200 30.700 32.640 237 HG2 GLN 34 HG2 GLN 34 29.733 30.461 34.896 238 HG3 GLN 34 HG3 GLN 34 28.145 29.718 34.768 239 HE21 GLN 34 HE21 GLN 34 30.523 27.555 36.779 240 HE22 GLN 34 HE22 GLN 34 30.045 29.252 36.896 Start of MODEL 15 1 H1 GLY 1 H1 GLY 1 17.936 20.536 10.706 2 H2 GLY 1 H2 GLY 1 18.650 21.197 12.041 3 H3 GLY 1 H3 GLY 1 18.955 19.634 11.639 4 HA2 GLY 1 HA2 GLY 1 20.109 20.255 9.662 5 HA3 GLY 1 HA3 GLY 1 19.677 21.942 9.968 6 H SER 2 H SER 2 22.058 22.218 9.783 7 HA SER 2 HA SER 2 23.738 21.261 12.008 8 HB2 SER 2 HB2 SER 2 24.387 23.099 9.678 9 HB3 SER 2 HB3 SER 2 25.552 22.417 10.826 10 HG SER 2 HG SER 2 24.905 20.333 10.166 11 H ALA 3 H ALA 3 21.530 23.773 11.991 12 HA ALA 3 HA ALA 3 22.901 25.913 13.188 13 HB1 ALA 3 HB1 ALA 3 20.688 26.496 14.139 14 HB2 ALA 3 HB2 ALA 3 20.581 26.044 12.434 15 HB3 ALA 3 HB3 ALA 3 20.071 24.893 13.691 16 H CYS 4 H CYS 4 23.351 26.525 15.275 17 HA CYS 4 HA CYS 4 24.491 24.492 16.872 18 HB2 CYS 4 HB2 CYS 4 25.424 26.723 16.582 19 HB3 CYS 4 HB3 CYS 4 24.041 27.444 17.410 20 H GLN 5 H GLN 5 23.293 23.075 17.982 21 HA GLN 5 HA GLN 5 21.024 23.913 19.685 22 HB2 GLN 5 HB2 GLN 5 22.328 21.172 19.497 23 HB3 GLN 5 HB3 GLN 5 20.765 21.607 20.189 24 HG2 GLN 5 HG2 GLN 5 21.537 21.574 17.253 25 HG3 GLN 5 HG3 GLN 5 20.380 20.533 18.064 26 HE21 GLN 5 HE21 GLN 5 19.060 23.969 16.498 27 HE22 GLN 5 HE22 GLN 5 20.580 23.195 16.070 28 H PHE 6 H PHE 6 21.255 24.491 21.796 29 HA PHE 6 HA PHE 6 23.725 24.899 22.959 30 HB2 PHE 6 HB2 PHE 6 22.677 25.574 24.864 31 HB3 PHE 6 HB3 PHE 6 21.436 25.834 23.688 32 HD1 PHE 6 HD1 PHE 6 22.311 24.393 26.821 33 HD2 PHE 6 HD2 PHE 6 19.664 23.758 23.464 34 HE1 PHE 6 HE1 PHE 6 20.915 22.881 28.214 35 HE2 PHE 6 HE2 PHE 6 18.288 22.215 24.846 36 HZ PHE 6 HZ PHE 6 18.908 21.792 27.217 37 H TRP 7 H TRP 7 21.741 21.920 23.324 38 HA TRP 7 HA TRP 7 23.008 20.835 25.512 39 HB2 TRP 7 HB2 TRP 7 22.028 18.820 25.007 40 HB3 TRP 7 HB3 TRP 7 20.962 19.981 24.234 41 HD1 TRP 7 HD1 TRP 7 21.151 20.114 21.551 42 HE1 TRP 7 HE1 TRP 7 21.997 18.479 19.724 43 HE3 TRP 7 HE3 TRP 7 23.467 16.711 24.552 44 HZ2 TRP 7 HZ2 TRP 7 23.207 15.871 19.648 45 HZ3 TRP 7 HZ3 TRP 7 24.374 14.595 23.597 46 HH2 TRP 7 HH2 TRP 7 24.225 14.162 21.165 47 H SER 8 H SER 8 24.234 20.748 22.191 48 HA SER 8 HA SER 8 26.513 19.007 22.748 49 HB2 SER 8 HB2 SER 8 25.539 19.097 20.541 50 HB3 SER 8 HB3 SER 8 25.821 20.840 20.431 51 HG SER 8 HG SER 8 27.929 20.527 20.145 52 H CYS 9 H CYS 9 26.035 22.565 22.622 53 HA CYS 9 HA CYS 9 28.821 23.233 23.123 54 HB2 CYS 9 HB2 CYS 9 26.193 24.684 23.597 55 HB3 CYS 9 HB3 CYS 9 27.761 25.366 23.979 56 H ASN 10 H ASN 10 25.989 22.691 25.208 57 HA ASN 10 HA ASN 10 27.139 23.189 27.732 58 HB2 ASN 10 HB2 ASN 10 24.758 23.118 27.292 59 HB3 ASN 10 HB3 ASN 10 24.848 21.461 26.729 60 HD21 ASN 10 HD21 ASN 10 23.968 21.987 30.527 61 HD22 ASN 10 HD22 ASN 10 23.967 23.323 29.375 62 H SER 11 H SER 11 26.978 20.032 25.918 63 HA SER 11 HA SER 11 28.470 18.596 27.902 64 HB2 SER 11 HB2 SER 11 28.677 16.863 26.199 65 HB3 SER 11 HB3 SER 11 27.021 17.518 26.246 66 HG SER 11 HG SER 11 27.669 17.357 24.108 67 H SER 12 H SER 12 29.556 20.438 25.043 68 HA SER 12 HA SER 12 32.364 19.838 25.211 69 HB2 SER 12 HB2 SER 12 31.477 20.847 23.226 70 HB3 SER 12 HB3 SER 12 30.834 22.222 24.117 71 HG SER 12 HG SER 12 32.705 22.834 23.086 72 H CYS 13 H CYS 13 30.537 22.662 26.546 73 HA CYS 13 HA CYS 13 32.755 23.781 27.914 74 HB2 CYS 13 HB2 CYS 13 29.752 23.987 28.219 75 HB3 CYS 13 HB3 CYS 13 30.872 24.990 29.153 76 H ILE 14 H ILE 14 30.113 21.669 29.283 77 HA ILE 14 HA ILE 14 31.205 21.605 31.897 78 HB ILE 14 HB ILE 14 29.499 19.552 30.461 79 HG12 ILE 14 HG12 ILE 14 28.706 21.659 32.529 80 HG13 ILE 14 HG13 ILE 14 28.567 21.947 30.806 81 HG21 ILE 14 HG21 ILE 14 30.556 18.444 32.319 82 HG22 ILE 14 HG22 ILE 14 30.349 19.869 33.362 83 HG23 ILE 14 HG23 ILE 14 28.951 18.866 32.893 84 HD11 ILE 14 HD11 ILE 14 26.421 21.269 31.551 85 HD12 ILE 14 HD12 ILE 14 27.108 19.874 30.679 86 HD13 ILE 14 HD13 ILE 14 27.065 19.891 32.451 87 H SER 15 H SER 15 32.239 19.670 29.060 88 HA SER 15 HA SER 15 33.894 17.777 30.364 89 HB2 SER 15 HB2 SER 15 33.590 17.797 27.920 90 HB3 SER 15 HB3 SER 15 34.459 19.337 27.816 91 HG SER 15 HG SER 15 35.441 16.779 28.200 92 H ARG 16 H ARG 16 34.493 21.216 29.747 93 HA ARG 16 HA ARG 16 37.295 21.169 30.610 94 HB2 ARG 16 HB2 ARG 16 35.391 23.489 30.077 95 HB3 ARG 16 HB3 ARG 16 37.134 23.625 30.303 96 HG2 ARG 16 HG2 ARG 16 37.599 22.481 28.245 97 HG3 ARG 16 HG3 ARG 16 35.933 21.913 28.103 98 HD2 ARG 16 HD2 ARG 16 36.417 23.725 26.523 99 HD3 ARG 16 HD3 ARG 16 35.073 24.069 27.624 100 HE ARG 16 HE ARG 16 37.515 25.167 28.697 101 HH11 ARG 16 HH11 ARG 16 35.291 25.823 26.037 102 HH12 ARG 16 HH12 ARG 16 35.670 27.551 26.138 103 HH21 ARG 16 HH21 ARG 16 37.680 27.324 28.843 104 HH22 ARG 16 HH22 ARG 16 36.973 28.352 27.596 105 H GLY 17 H GLY 17 34.215 21.945 32.085 106 HA2 GLY 17 HA2 GLY 17 34.513 21.282 34.614 107 HA3 GLY 17 HA3 GLY 17 35.448 22.781 34.668 108 H TYR 18 H TYR 18 33.105 23.538 32.466 109 HA TYR 18 HA TYR 18 31.713 25.204 34.316 110 HB2 TYR 18 HB2 TYR 18 31.308 24.600 31.372 111 HB3 TYR 18 HB3 TYR 18 30.511 25.907 32.215 112 HD1 TYR 18 HD1 TYR 18 31.672 27.972 32.811 113 HD2 TYR 18 HD2 TYR 18 33.783 24.686 31.009 114 HE1 TYR 18 HE1 TYR 18 33.599 29.465 32.333 115 HE2 TYR 18 HE2 TYR 18 35.712 26.193 30.524 116 HH TYR 18 HH TYR 18 35.866 29.510 31.717 117 H ARG 19 H ARG 19 29.188 25.339 33.384 118 HA ARG 19 HA ARG 19 27.773 22.843 34.235 119 HB2 ARG 19 HB2 ARG 19 27.203 25.595 35.422 120 HB3 ARG 19 HB3 ARG 19 26.336 24.098 35.736 121 HG2 ARG 19 HG2 ARG 19 27.644 24.055 37.578 122 HG3 ARG 19 HG3 ARG 19 28.726 23.209 36.488 123 HD2 ARG 19 HD2 ARG 19 30.096 24.757 37.585 124 HD3 ARG 19 HD3 ARG 19 29.801 25.548 36.039 125 HE ARG 19 HE ARG 19 27.789 26.527 37.718 126 HH11 ARG 19 HH11 ARG 19 31.244 26.948 37.450 127 HH12 ARG 19 HH12 ARG 19 31.303 28.011 38.837 128 HH21 ARG 19 HH21 ARG 19 27.930 28.212 39.185 129 HH22 ARG 19 HH22 ARG 19 29.531 28.829 39.612 130 H GLN 20 H GLN 20 28.133 24.936 31.818 131 HA GLN 20 HA GLN 20 25.685 24.501 30.486 132 HB2 GLN 20 HB2 GLN 20 25.713 26.741 32.312 133 HB3 GLN 20 HB3 GLN 20 25.821 27.395 30.699 134 HG2 GLN 20 HG2 GLN 20 23.666 25.497 31.754 135 HG3 GLN 20 HG3 GLN 20 23.501 27.235 31.563 136 HE21 GLN 20 HE21 GLN 20 22.185 26.785 28.345 137 HE22 GLN 20 HE22 GLN 20 22.432 27.872 29.701 138 H GLY 21 H GLY 21 25.601 25.434 28.394 139 HA2 GLY 21 HA2 GLY 21 27.533 27.203 27.428 140 HA3 GLY 21 HA3 GLY 21 27.997 25.589 26.881 141 H TYR 22 H TYR 22 27.153 27.881 25.268 142 HA TYR 22 HA TYR 22 25.032 26.748 23.575 143 HB2 TYR 22 HB2 TYR 22 23.535 28.775 23.925 144 HB3 TYR 22 HB3 TYR 22 23.572 27.627 25.242 145 HD1 TYR 22 HD1 TYR 22 24.823 30.983 24.172 146 HD2 TYR 22 HD2 TYR 22 24.323 28.185 27.397 147 HE1 TYR 22 HE1 TYR 22 25.515 32.744 25.798 148 HE2 TYR 22 HE2 TYR 22 25.085 29.926 29.029 149 HH TYR 22 HH TYR 22 25.996 32.015 29.266 150 H CYS 23 H CYS 23 24.465 28.297 21.736 151 HA CYS 23 HA CYS 23 26.752 30.087 21.042 152 HB2 CYS 23 HB2 CYS 23 24.485 28.971 19.374 153 HB3 CYS 23 HB3 CYS 23 25.617 30.195 18.810 154 H TRP 24 H TRP 24 26.293 32.134 20.097 155 HA TRP 24 HA TRP 24 24.051 33.669 21.301 156 HB2 TRP 24 HB2 TRP 24 26.524 34.547 19.762 157 HB3 TRP 24 HB3 TRP 24 25.313 35.609 20.449 158 HD1 TRP 24 HD1 TRP 24 28.543 34.027 21.299 159 HE1 TRP 24 HE1 TRP 24 29.141 34.391 23.776 160 HE3 TRP 24 HE3 TRP 24 23.994 35.648 23.018 161 HZ2 TRP 24 HZ2 TRP 24 27.851 35.370 26.153 162 HZ3 TRP 24 HZ3 TRP 24 23.700 36.247 25.409 163 HH2 TRP 24 HH2 TRP 24 25.624 36.122 26.982 164 H GLY 25 H GLY 25 23.150 35.398 19.613 165 HA2 GLY 25 HA2 GLY 25 21.552 34.062 17.766 166 HA3 GLY 25 HA3 GLY 25 21.897 35.794 17.727 167 H ILE 26 H ILE 26 24.492 35.955 16.942 168 HA ILE 26 HA ILE 26 25.033 34.170 14.646 169 HB ILE 26 HB ILE 26 23.557 35.893 13.752 170 HG12 ILE 26 HG12 ILE 26 24.919 36.697 11.863 171 HG13 ILE 26 HG13 ILE 26 26.396 36.200 12.679 172 HG21 ILE 26 HG21 ILE 26 24.223 38.235 13.550 173 HG22 ILE 26 HG22 ILE 26 24.105 37.784 15.248 174 HG23 ILE 26 HG23 ILE 26 25.703 37.935 14.478 175 HD11 ILE 26 HD11 ILE 26 24.115 34.333 11.853 176 HD12 ILE 26 HD12 ILE 26 25.619 34.586 10.942 177 HD13 ILE 26 HD13 ILE 26 25.681 33.834 12.539 178 H GLN 27 H GLN 27 26.203 36.669 16.856 179 HA GLN 27 HA GLN 27 28.808 36.791 15.669 180 HB2 GLN 27 HB2 GLN 27 27.625 38.705 16.620 181 HB3 GLN 27 HB3 GLN 27 27.617 37.956 18.206 182 HG2 GLN 27 HG2 GLN 27 29.157 39.783 18.127 183 HG3 GLN 27 HG3 GLN 27 30.038 38.320 18.446 184 HE21 GLN 27 HE21 GLN 27 32.134 40.182 16.081 185 HE22 GLN 27 HE22 GLN 27 31.580 40.359 17.745 186 H TYR 28 H TYR 28 29.050 34.302 15.921 187 HA TYR 28 HA TYR 28 30.810 33.828 18.284 188 HB2 TYR 28 HB2 TYR 28 29.819 31.612 18.643 189 HB3 TYR 28 HB3 TYR 28 28.720 32.942 18.970 190 HD1 TYR 28 HD1 TYR 28 29.414 30.069 16.727 191 HD2 TYR 28 HD2 TYR 28 26.752 33.367 17.567 192 HE1 TYR 28 HE1 TYR 28 27.768 29.177 15.083 193 HE2 TYR 28 HE2 TYR 28 25.117 32.450 15.974 194 HH TYR 28 HH TYR 28 24.795 30.996 14.241 195 H LYS 29 H LYS 29 32.644 32.879 17.953 196 HA LYS 29 HA LYS 29 33.271 31.320 15.471 197 HB2 LYS 29 HB2 LYS 29 35.000 32.231 17.818 198 HB3 LYS 29 HB3 LYS 29 35.573 31.427 16.357 199 HG2 LYS 29 HG2 LYS 29 34.774 33.345 14.990 200 HG3 LYS 29 HG3 LYS 29 34.268 34.193 16.460 201 HD2 LYS 29 HD2 LYS 29 37.106 33.247 15.937 202 HD3 LYS 29 HD3 LYS 29 36.515 34.863 15.542 203 HE2 LYS 29 HE2 LYS 29 35.964 35.235 17.933 204 HE3 LYS 29 HE3 LYS 29 36.616 33.636 18.335 205 HZ1 LYS 29 HZ1 LYS 29 38.772 34.360 17.524 206 HZ2 LYS 29 HZ2 LYS 29 38.161 35.832 17.075 207 HZ3 LYS 29 HZ3 LYS 29 38.277 35.456 18.636 208 H TYR 30 H TYR 30 32.721 30.957 18.900 209 HA TYR 30 HA TYR 30 32.725 28.026 18.755 210 HB2 TYR 30 HB2 TYR 30 34.148 29.301 21.076 211 HB3 TYR 30 HB3 TYR 30 34.261 27.661 20.472 212 HD1 TYR 30 HD1 TYR 30 35.699 27.203 18.400 213 HD2 TYR 30 HD2 TYR 30 35.631 31.018 20.409 214 HE1 TYR 30 HE1 TYR 30 37.860 27.815 17.319 215 HE2 TYR 30 HE2 TYR 30 37.799 31.613 19.352 216 HH TYR 30 HH TYR 30 39.543 29.379 17.168 217 H CYS 31 H CYS 31 31.660 27.063 20.653 218 HA CYS 31 HA CYS 31 29.357 28.394 21.607 219 HB2 CYS 31 HB2 CYS 31 30.971 26.158 22.884 220 HB3 CYS 31 HB3 CYS 31 29.349 26.607 23.343 221 H GLN 32 H GLN 32 28.873 29.597 23.367 222 HA GLN 32 HA GLN 32 30.877 30.769 25.148 223 HB2 GLN 32 HB2 GLN 32 28.794 31.946 24.277 224 HB3 GLN 32 HB3 GLN 32 27.834 30.777 25.181 225 HG2 GLN 32 HG2 GLN 32 27.859 32.721 26.501 226 HG3 GLN 32 HG3 GLN 32 28.936 31.615 27.319 227 HE21 GLN 32 HE21 GLN 32 30.881 34.657 27.465 228 HE22 GLN 32 HE22 GLN 32 29.716 33.692 28.369 229 H CYS 33 H CYS 33 31.150 30.118 27.347 230 HA CYS 33 HA CYS 33 29.622 27.700 28.356 231 HB2 CYS 33 HB2 CYS 33 32.477 28.578 28.984 232 HB3 CYS 33 HB3 CYS 33 31.647 27.152 29.599 233 H GLN 34 H GLN 34 29.539 27.554 30.687 234 HA GLN 34 HA GLN 34 27.768 29.387 31.555 235 HB2 GLN 34 HB2 GLN 34 28.194 27.136 32.478 236 HB3 GLN 34 HB3 GLN 34 29.488 27.776 33.483 237 HG2 GLN 34 HG2 GLN 34 26.856 29.222 33.633 238 HG3 GLN 34 HG3 GLN 34 26.839 27.564 34.195 239 HE21 GLN 34 HE21 GLN 34 29.383 29.900 36.437 240 HE22 GLN 34 HE22 GLN 34 29.675 29.793 34.711 Start of MODEL 16 1 H1 GLY 1 H1 GLY 1 20.655 33.772 10.547 2 H2 GLY 1 H2 GLY 1 19.166 33.178 10.953 3 H3 GLY 1 H3 GLY 1 19.482 33.644 9.406 4 HA2 GLY 1 HA2 GLY 1 19.488 31.258 9.576 5 HA3 GLY 1 HA3 GLY 1 21.097 31.888 9.126 6 H SER 2 H SER 2 20.484 29.327 10.373 7 HA SER 2 HA SER 2 22.235 29.348 12.682 8 HB2 SER 2 HB2 SER 2 20.155 30.250 13.708 9 HB3 SER 2 HB3 SER 2 19.273 28.812 13.166 10 HG SER 2 HG SER 2 20.564 29.135 15.405 11 H ALA 3 H ALA 3 22.860 27.283 13.323 12 HA ALA 3 HA ALA 3 21.608 24.873 12.188 13 HB1 ALA 3 HB1 ALA 3 23.096 25.649 10.372 14 HB2 ALA 3 HB2 ALA 3 24.480 25.625 11.492 15 HB3 ALA 3 HB3 ALA 3 23.652 24.113 11.057 16 H CYS 4 H CYS 4 23.900 26.277 14.492 17 HA CYS 4 HA CYS 4 24.616 23.722 15.723 18 HB2 CYS 4 HB2 CYS 4 26.226 25.457 15.728 19 HB3 CYS 4 HB3 CYS 4 25.122 26.622 16.441 20 H GLN 5 H GLN 5 23.961 22.949 17.737 21 HA GLN 5 HA GLN 5 21.422 24.084 18.865 22 HB2 GLN 5 HB2 GLN 5 22.271 21.170 18.750 23 HB3 GLN 5 HB3 GLN 5 20.803 21.802 19.492 24 HG2 GLN 5 HG2 GLN 5 21.478 21.900 16.537 25 HG3 GLN 5 HG3 GLN 5 20.330 20.815 17.304 26 HE21 GLN 5 HE21 GLN 5 18.566 23.798 15.781 27 HE22 GLN 5 HE22 GLN 5 19.691 22.593 15.161 28 H PHE 6 H PHE 6 21.548 24.847 20.849 29 HA PHE 6 HA PHE 6 23.872 25.085 22.263 30 HB2 PHE 6 HB2 PHE 6 22.536 25.844 24.170 31 HB3 PHE 6 HB3 PHE 6 21.931 26.497 22.659 32 HD1 PHE 6 HD1 PHE 6 19.644 26.060 21.960 33 HD2 PHE 6 HD2 PHE 6 21.305 24.015 25.376 34 HE1 PHE 6 HE1 PHE 6 17.391 25.221 22.551 35 HE2 PHE 6 HE2 PHE 6 19.064 23.104 25.914 36 HZ PHE 6 HZ PHE 6 17.094 23.723 24.515 37 H TRP 7 H TRP 7 21.589 22.345 22.738 38 HA TRP 7 HA TRP 7 22.695 21.403 25.167 39 HB2 TRP 7 HB2 TRP 7 21.543 19.447 24.825 40 HB3 TRP 7 HB3 TRP 7 20.569 20.623 23.950 41 HD1 TRP 7 HD1 TRP 7 21.776 20.666 21.157 42 HE1 TRP 7 HE1 TRP 7 22.236 18.633 19.645 43 HE3 TRP 7 HE3 TRP 7 21.381 16.955 24.658 44 HZ2 TRP 7 HZ2 TRP 7 22.148 15.768 19.883 45 HZ3 TRP 7 HZ3 TRP 7 21.507 14.568 23.973 46 HH2 TRP 7 HH2 TRP 7 21.886 13.961 21.594 47 H SER 8 H SER 8 23.945 20.999 21.871 48 HA SER 8 HA SER 8 25.803 18.870 22.435 49 HB2 SER 8 HB2 SER 8 24.887 19.648 20.179 50 HB3 SER 8 HB3 SER 8 26.029 20.999 20.271 51 HG SER 8 HG SER 8 26.435 18.320 19.764 52 H CYS 9 H CYS 9 26.141 22.411 22.192 53 HA CYS 9 HA CYS 9 28.804 22.669 23.160 54 HB2 CYS 9 HB2 CYS 9 26.368 24.476 23.144 55 HB3 CYS 9 HB3 CYS 9 27.905 24.995 23.813 56 H ASN 10 H ASN 10 25.718 22.369 24.972 57 HA ASN 10 HA ASN 10 26.627 23.221 27.456 58 HB2 ASN 10 HB2 ASN 10 24.265 22.719 26.773 59 HB3 ASN 10 HB3 ASN 10 24.601 20.997 27.005 60 HD21 ASN 10 HD21 ASN 10 24.160 21.221 30.493 61 HD22 ASN 10 HD22 ASN 10 24.178 20.215 29.055 62 H SER 11 H SER 11 26.586 19.731 26.458 63 HA SER 11 HA SER 11 28.215 18.897 28.672 64 HB2 SER 11 HB2 SER 11 27.946 17.561 25.956 65 HB3 SER 11 HB3 SER 11 28.659 16.845 27.411 66 HG SER 11 HG SER 11 26.011 17.313 26.744 67 H SER 12 H SER 12 29.186 20.184 25.466 68 HA SER 12 HA SER 12 31.956 19.448 25.680 69 HB2 SER 12 HB2 SER 12 30.921 20.117 23.543 70 HB3 SER 12 HB3 SER 12 30.729 21.771 24.158 71 HG SER 12 HG SER 12 33.141 20.341 23.646 72 H CYS 13 H CYS 13 30.276 22.525 26.616 73 HA CYS 13 HA CYS 13 32.562 23.798 27.741 74 HB2 CYS 13 HB2 CYS 13 29.573 24.026 28.235 75 HB3 CYS 13 HB3 CYS 13 30.743 25.026 29.070 76 H ILE 14 H ILE 14 29.998 21.819 29.426 77 HA ILE 14 HA ILE 14 31.190 22.002 31.979 78 HB ILE 14 HB ILE 14 29.584 19.696 30.826 79 HG12 ILE 14 HG12 ILE 14 28.568 21.875 32.676 80 HG13 ILE 14 HG13 ILE 14 28.565 22.159 30.946 81 HG21 ILE 14 HG21 ILE 14 30.387 20.506 33.648 82 HG22 ILE 14 HG22 ILE 14 29.103 19.320 33.324 83 HG23 ILE 14 HG23 ILE 14 30.769 18.982 32.837 84 HD11 ILE 14 HD11 ILE 14 27.148 20.160 30.591 85 HD12 ILE 14 HD12 ILE 14 27.102 19.888 32.347 86 HD13 ILE 14 HD13 ILE 14 26.390 21.362 31.656 87 H SER 15 H SER 15 31.973 19.725 29.357 88 HA SER 15 HA SER 15 33.875 18.137 30.763 89 HB2 SER 15 HB2 SER 15 33.885 18.837 27.802 90 HB3 SER 15 HB3 SER 15 34.692 17.463 28.581 91 HG SER 15 HG SER 15 31.890 17.962 28.349 92 H ARG 16 H ARG 16 34.217 21.417 29.542 93 HA ARG 16 HA ARG 16 37.150 21.477 29.753 94 HB2 ARG 16 HB2 ARG 16 35.189 23.788 29.651 95 HB3 ARG 16 HB3 ARG 16 36.940 23.886 29.552 96 HG2 ARG 16 HG2 ARG 16 36.973 22.677 27.442 97 HG3 ARG 16 HG3 ARG 16 35.240 22.367 27.569 98 HD2 ARG 16 HD2 ARG 16 35.544 24.103 25.979 99 HD3 ARG 16 HD3 ARG 16 34.744 24.757 27.404 100 HE ARG 16 HE ARG 16 36.906 25.719 28.123 101 HH11 ARG 16 HH11 ARG 16 37.202 24.442 24.837 102 HH12 ARG 16 HH12 ARG 16 38.269 25.784 24.412 103 HH21 ARG 16 HH21 ARG 16 38.105 27.433 27.337 104 HH22 ARG 16 HH22 ARG 16 38.874 27.233 25.764 105 H GLY 17 H GLY 17 34.383 22.361 31.762 106 HA2 GLY 17 HA2 GLY 17 35.223 22.056 34.309 107 HA3 GLY 17 HA3 GLY 17 36.069 23.537 33.888 108 H TYR 18 H TYR 18 33.186 23.707 32.204 109 HA TYR 18 HA TYR 18 32.079 25.621 34.121 110 HB2 TYR 18 HB2 TYR 18 31.356 24.832 31.287 111 HB3 TYR 18 HB3 TYR 18 30.601 26.143 32.161 112 HD1 TYR 18 HD1 TYR 18 33.491 25.181 30.232 113 HD2 TYR 18 HD2 TYR 18 31.955 28.105 32.972 114 HE1 TYR 18 HE1 TYR 18 35.175 26.840 29.400 115 HE2 TYR 18 HE2 TYR 18 33.641 29.752 32.179 116 HH TYR 18 HH TYR 18 35.205 30.221 30.553 117 H ARG 19 H ARG 19 29.438 25.553 33.508 118 HA ARG 19 HA ARG 19 28.296 22.975 34.501 119 HB2 ARG 19 HB2 ARG 19 27.789 25.697 35.737 120 HB3 ARG 19 HB3 ARG 19 26.803 24.283 36.003 121 HG2 ARG 19 HG2 ARG 19 28.066 24.188 37.858 122 HG3 ARG 19 HG3 ARG 19 28.947 23.097 36.811 123 HD2 ARG 19 HD2 ARG 19 30.480 24.443 38.062 124 HD3 ARG 19 HD3 ARG 19 30.619 24.933 36.377 125 HE ARG 19 HE ARG 19 28.733 26.662 37.573 126 HH11 ARG 19 HH11 ARG 19 32.030 25.880 38.517 127 HH12 ARG 19 HH12 ARG 19 32.259 27.469 39.212 128 HH21 ARG 19 HH21 ARG 19 29.232 28.722 38.188 129 HH22 ARG 19 HH22 ARG 19 30.767 29.058 38.947 130 H GLN 20 H GLN 20 28.288 25.074 32.034 131 HA GLN 20 HA GLN 20 25.728 24.444 30.989 132 HB2 GLN 20 HB2 GLN 20 25.382 26.555 32.624 133 HB3 GLN 20 HB3 GLN 20 26.124 27.421 31.284 134 HG2 GLN 20 HG2 GLN 20 24.257 26.111 29.878 135 HG3 GLN 20 HG3 GLN 20 23.485 25.926 31.434 136 HE21 GLN 20 HE21 GLN 20 22.211 28.986 29.628 137 HE22 GLN 20 HE22 GLN 20 22.384 27.290 29.184 138 H GLY 21 H GLY 21 25.534 25.223 28.781 139 HA2 GLY 21 HA2 GLY 21 27.444 26.898 27.551 140 HA3 GLY 21 HA3 GLY 21 27.810 25.224 27.113 141 H TYR 22 H TYR 22 27.120 27.256 25.317 142 HA TYR 22 HA TYR 22 24.865 26.185 23.854 143 HB2 TYR 22 HB2 TYR 22 23.592 28.420 23.927 144 HB3 TYR 22 HB3 TYR 22 23.497 27.376 25.319 145 HD1 TYR 22 HD1 TYR 22 24.250 27.916 27.420 146 HD2 TYR 22 HD2 TYR 22 24.956 30.575 24.119 147 HE1 TYR 22 HE1 TYR 22 24.942 29.695 29.033 148 HE2 TYR 22 HE2 TYR 22 25.556 32.390 25.712 149 HH TYR 22 HH TYR 22 25.520 31.882 29.265 150 H CYS 23 H CYS 23 24.320 28.014 22.035 151 HA CYS 23 HA CYS 23 26.696 29.340 20.991 152 HB2 CYS 23 HB2 CYS 23 26.617 28.089 18.844 153 HB3 CYS 23 HB3 CYS 23 27.133 27.127 20.207 154 H TRP 24 H TRP 24 26.056 30.132 18.637 155 HA TRP 24 HA TRP 24 23.378 31.438 18.791 156 HB2 TRP 24 HB2 TRP 24 26.044 32.717 18.112 157 HB3 TRP 24 HB3 TRP 24 24.471 33.509 18.169 158 HD1 TRP 24 HD1 TRP 24 27.351 32.531 20.376 159 HE1 TRP 24 HE1 TRP 24 26.962 33.334 22.788 160 HE3 TRP 24 HE3 TRP 24 22.420 33.887 20.008 161 HZ2 TRP 24 HZ2 TRP 24 24.800 34.360 24.354 162 HZ3 TRP 24 HZ3 TRP 24 21.201 34.717 22.007 163 HH2 TRP 24 HH2 TRP 24 22.383 34.968 24.186 164 H GLY 25 H GLY 25 23.346 32.891 16.494 165 HA2 GLY 25 HA2 GLY 25 22.617 30.905 14.575 166 HA3 GLY 25 HA3 GLY 25 22.594 32.650 14.347 167 H ILE 26 H ILE 26 25.070 33.513 14.205 168 HA ILE 26 HA ILE 26 26.709 31.776 12.386 169 HB ILE 26 HB ILE 26 25.691 34.582 11.794 170 HG12 ILE 26 HG12 ILE 26 25.546 31.930 10.297 171 HG13 ILE 26 HG13 ILE 26 24.206 32.772 11.083 172 HG21 ILE 26 HG21 ILE 26 27.913 33.097 10.324 173 HG22 ILE 26 HG22 ILE 26 27.190 34.645 9.834 174 HG23 ILE 26 HG23 ILE 26 28.126 34.568 11.300 175 HD11 ILE 26 HD11 ILE 26 25.654 33.601 8.550 176 HD12 ILE 26 HD12 ILE 26 23.972 33.109 8.748 177 HD13 ILE 26 HD13 ILE 26 24.521 34.659 9.428 178 H GLN 27 H GLN 27 26.592 34.785 14.316 179 HA GLN 27 HA GLN 27 29.451 35.135 14.140 180 HB2 GLN 27 HB2 GLN 27 27.390 36.703 15.759 181 HB3 GLN 27 HB3 GLN 27 29.067 37.153 15.475 182 HG2 GLN 27 HG2 GLN 27 28.494 37.141 12.959 183 HG3 GLN 27 HG3 GLN 27 26.803 37.039 13.447 184 HE21 GLN 27 HE21 GLN 27 27.146 40.627 13.136 185 HE22 GLN 27 HE22 GLN 27 26.320 39.187 12.523 186 H TYR 28 H TYR 28 29.777 32.948 15.084 187 HA TYR 28 HA TYR 28 30.899 33.297 17.757 188 HB2 TYR 28 HB2 TYR 28 29.875 31.426 18.791 189 HB3 TYR 28 HB3 TYR 28 28.593 32.500 18.264 190 HD1 TYR 28 HD1 TYR 28 27.534 31.940 15.893 191 HD2 TYR 28 HD2 TYR 28 29.724 29.123 18.312 192 HE1 TYR 28 HE1 TYR 28 26.777 30.114 14.420 193 HE2 TYR 28 HE2 TYR 28 28.860 27.254 16.894 194 HH TYR 28 HH TYR 28 26.958 27.815 13.938 195 H LYS 29 H LYS 29 32.836 32.290 17.832 196 HA LYS 29 HA LYS 29 33.753 30.701 15.496 197 HB2 LYS 29 HB2 LYS 29 35.318 31.547 17.958 198 HB3 LYS 29 HB3 LYS 29 35.971 30.987 16.420 199 HG2 LYS 29 HG2 LYS 29 34.483 33.607 16.903 200 HG3 LYS 29 HG3 LYS 29 36.212 33.423 16.732 201 HD2 LYS 29 HD2 LYS 29 35.968 32.750 14.389 202 HD3 LYS 29 HD3 LYS 29 34.195 32.812 14.518 203 HE2 LYS 29 HE2 LYS 29 34.268 35.204 15.039 204 HE3 LYS 29 HE3 LYS 29 36.035 35.193 15.052 205 HZ1 LYS 29 HZ1 LYS 29 34.403 34.574 12.639 206 HZ2 LYS 29 HZ2 LYS 29 35.043 36.030 12.954 207 HZ3 LYS 29 HZ3 LYS 29 36.043 34.765 12.696 208 H TYR 30 H TYR 30 33.179 30.265 18.942 209 HA TYR 30 HA TYR 30 32.859 27.346 18.663 210 HB2 TYR 30 HB2 TYR 30 35.192 27.486 19.261 211 HB3 TYR 30 HB3 TYR 30 34.883 28.695 20.486 212 HD1 TYR 30 HD1 TYR 30 33.930 25.121 19.657 213 HD2 TYR 30 HD2 TYR 30 34.774 28.037 22.733 214 HE1 TYR 30 HE1 TYR 30 33.592 23.383 21.402 215 HE2 TYR 30 HE2 TYR 30 34.461 26.283 24.469 216 HH TYR 30 HH TYR 30 33.443 22.953 23.687 217 H CYS 31 H CYS 31 32.066 26.547 20.976 218 HA CYS 31 HA CYS 31 29.598 27.787 21.575 219 HB2 CYS 31 HB2 CYS 31 31.360 25.938 23.232 220 HB3 CYS 31 HB3 CYS 31 29.651 26.214 23.514 221 H GLN 32 H GLN 32 28.853 28.927 23.352 222 HA GLN 32 HA GLN 32 30.820 30.337 25.105 223 HB2 GLN 32 HB2 GLN 32 29.229 31.764 23.923 224 HB3 GLN 32 HB3 GLN 32 27.864 30.848 24.578 225 HG2 GLN 32 HG2 GLN 32 28.414 31.562 26.855 226 HG3 GLN 32 HG3 GLN 32 29.904 32.334 26.298 227 HE21 GLN 32 HE21 GLN 32 27.290 34.941 26.793 228 HE22 GLN 32 HE22 GLN 32 28.139 33.779 27.820 229 H CYS 33 H CYS 33 30.534 30.182 27.426 230 HA CYS 33 HA CYS 33 29.180 27.652 28.362 231 HB2 CYS 33 HB2 CYS 33 31.937 28.674 29.077 232 HB3 CYS 33 HB3 CYS 33 31.167 27.186 29.591 233 H GLN 34 H GLN 34 29.415 27.562 30.848 234 HA GLN 34 HA GLN 34 27.619 29.401 31.927 235 HB2 GLN 34 HB2 GLN 34 28.088 27.164 32.873 236 HB3 GLN 34 HB3 GLN 34 29.662 27.735 33.439 237 HG2 GLN 34 HG2 GLN 34 28.300 27.772 35.324 238 HG3 GLN 34 HG3 GLN 34 28.424 29.440 34.857 239 HE21 GLN 34 HE21 GLN 34 24.906 29.710 34.038 240 HE22 GLN 34 HE22 GLN 34 26.476 30.451 33.777 Start of MODEL 17 1 H1 GLY 1 H1 GLY 1 19.628 21.910 11.364 2 H2 GLY 1 H2 GLY 1 18.206 22.601 11.806 3 H3 GLY 1 H3 GLY 1 19.565 22.854 12.709 4 HA2 GLY 1 HA2 GLY 1 19.175 23.757 9.936 5 HA3 GLY 1 HA3 GLY 1 19.036 24.791 11.369 6 H SER 2 H SER 2 20.674 25.926 9.902 7 HA SER 2 HA SER 2 23.378 24.882 9.933 8 HB2 SER 2 HB2 SER 2 22.344 26.291 8.122 9 HB3 SER 2 HB3 SER 2 22.448 27.679 9.219 10 HG SER 2 HG SER 2 24.624 25.999 8.453 11 H ALA 3 H ALA 3 21.589 27.049 12.068 12 HA ALA 3 HA ALA 3 23.923 27.936 13.548 13 HB1 ALA 3 HB1 ALA 3 22.282 28.652 15.231 14 HB2 ALA 3 HB2 ALA 3 21.801 29.178 13.609 15 HB3 ALA 3 HB3 ALA 3 20.992 27.786 14.372 16 H CYS 4 H CYS 4 24.952 27.004 15.204 17 HA CYS 4 HA CYS 4 24.664 24.186 15.709 18 HB2 CYS 4 HB2 CYS 4 26.511 24.519 17.247 19 HB3 CYS 4 HB3 CYS 4 26.804 25.281 15.701 20 H GLN 5 H GLN 5 24.230 23.150 17.732 21 HA GLN 5 HA GLN 5 21.875 24.407 19.018 22 HB2 GLN 5 HB2 GLN 5 22.737 21.517 18.812 23 HB3 GLN 5 HB3 GLN 5 21.292 22.121 19.656 24 HG2 GLN 5 HG2 GLN 5 20.422 23.101 17.607 25 HG3 GLN 5 HG3 GLN 5 21.847 22.579 16.701 26 HE21 GLN 5 HE21 GLN 5 19.647 19.954 15.717 27 HE22 GLN 5 HE22 GLN 5 20.159 21.587 15.279 28 H PHE 6 H PHE 6 21.594 24.764 21.119 29 HA PHE 6 HA PHE 6 23.675 25.208 22.855 30 HB2 PHE 6 HB2 PHE 6 22.050 25.498 24.597 31 HB3 PHE 6 HB3 PHE 6 21.391 26.134 23.111 32 HD1 PHE 6 HD1 PHE 6 20.903 23.816 25.842 33 HD2 PHE 6 HD2 PHE 6 19.637 24.744 21.818 34 HE1 PHE 6 HE1 PHE 6 18.923 22.343 26.116 35 HE2 PHE 6 HE2 PHE 6 17.682 23.245 22.091 36 HZ PHE 6 HZ PHE 6 17.324 22.036 24.241 37 H TRP 7 H TRP 7 21.619 22.245 22.948 38 HA TRP 7 HA TRP 7 22.664 21.068 25.202 39 HB2 TRP 7 HB2 TRP 7 21.755 19.026 24.454 40 HB3 TRP 7 HB3 TRP 7 20.710 20.292 23.818 41 HD1 TRP 7 HD1 TRP 7 20.751 20.671 21.176 42 HE1 TRP 7 HE1 TRP 7 21.680 19.358 19.185 43 HE3 TRP 7 HE3 TRP 7 23.606 17.251 23.708 44 HZ2 TRP 7 HZ2 TRP 7 23.519 17.196 18.724 45 HZ3 TRP 7 HZ3 TRP 7 25.039 15.664 22.454 46 HH2 TRP 7 HH2 TRP 7 25.026 15.638 19.978 47 H SER 8 H SER 8 24.117 20.986 21.971 48 HA SER 8 HA SER 8 26.129 19.021 22.588 49 HB2 SER 8 HB2 SER 8 25.408 19.254 20.339 50 HB3 SER 8 HB3 SER 8 25.822 20.981 20.304 51 HG SER 8 HG SER 8 27.363 19.111 19.498 52 H CYS 9 H CYS 9 26.098 22.620 22.502 53 HA CYS 9 HA CYS 9 28.847 22.983 23.328 54 HB2 CYS 9 HB2 CYS 9 26.378 24.739 23.428 55 HB3 CYS 9 HB3 CYS 9 27.904 25.238 24.140 56 H ASN 10 H ASN 10 25.773 22.629 25.173 57 HA ASN 10 HA ASN 10 26.729 23.179 27.741 58 HB2 ASN 10 HB2 ASN 10 24.381 22.899 27.245 59 HB3 ASN 10 HB3 ASN 10 24.618 21.233 26.746 60 HD21 ASN 10 HD21 ASN 10 23.935 21.955 30.612 61 HD22 ASN 10 HD22 ASN 10 23.925 23.271 29.442 62 H SER 11 H SER 11 26.703 19.887 26.220 63 HA SER 11 HA SER 11 28.211 18.636 28.264 64 HB2 SER 11 HB2 SER 11 28.121 17.959 25.295 65 HB3 SER 11 HB3 SER 11 28.674 16.885 26.607 66 HG SER 11 HG SER 11 26.531 16.452 26.153 67 H SER 12 H SER 12 29.443 20.347 25.351 68 HA SER 12 HA SER 12 32.205 19.630 25.824 69 HB2 SER 12 HB2 SER 12 30.843 21.689 24.076 70 HB3 SER 12 HB3 SER 12 32.610 21.579 24.205 71 HG SER 12 HG SER 12 32.603 19.561 23.438 72 H CYS 13 H CYS 13 30.343 22.639 26.674 73 HA CYS 13 HA CYS 13 32.508 23.963 27.960 74 HB2 CYS 13 HB2 CYS 13 29.494 24.005 28.280 75 HB3 CYS 13 HB3 CYS 13 30.548 25.016 29.260 76 H ILE 14 H ILE 14 30.038 21.677 29.408 77 HA ILE 14 HA ILE 14 31.282 21.664 31.968 78 HB ILE 14 HB ILE 14 29.729 19.425 30.625 79 HG12 ILE 14 HG12 ILE 14 28.675 21.348 32.738 80 HG13 ILE 14 HG13 ILE 14 28.584 21.789 31.046 81 HG21 ILE 14 HG21 ILE 14 30.639 19.990 33.483 82 HG22 ILE 14 HG22 ILE 14 29.379 18.783 33.103 83 HG23 ILE 14 HG23 ILE 14 31.027 18.570 32.502 84 HD11 ILE 14 HD11 ILE 14 27.300 19.719 30.556 85 HD12 ILE 14 HD12 ILE 14 27.305 19.330 32.291 86 HD13 ILE 14 HD13 ILE 14 26.487 20.792 31.716 87 H SER 15 H SER 15 32.070 19.685 29.077 88 HA SER 15 HA SER 15 34.082 18.079 30.302 89 HB2 SER 15 HB2 SER 15 34.042 19.040 27.419 90 HB3 SER 15 HB3 SER 15 34.951 17.676 28.078 91 HG SER 15 HG SER 15 32.125 17.961 27.904 92 H ARG 16 H ARG 16 34.238 21.443 29.247 93 HA ARG 16 HA ARG 16 37.160 21.692 29.641 94 HB2 ARG 16 HB2 ARG 16 34.972 23.810 29.449 95 HB3 ARG 16 HB3 ARG 16 36.690 24.142 29.635 96 HG2 ARG 16 HG2 ARG 16 37.181 23.083 27.490 97 HG3 ARG 16 HG3 ARG 16 35.488 22.572 27.339 98 HD2 ARG 16 HD2 ARG 16 36.052 24.577 25.948 99 HD3 ARG 16 HD3 ARG 16 34.709 24.799 27.075 100 HE ARG 16 HE ARG 16 37.283 25.681 28.176 101 HH11 ARG 16 HH11 ARG 16 34.544 26.822 26.230 102 HH12 ARG 16 HH12 ARG 16 34.783 28.453 26.854 103 HH21 ARG 16 HH21 ARG 16 37.410 27.716 28.844 104 HH22 ARG 16 HH22 ARG 16 36.224 28.916 28.287 105 H GLY 17 H GLY 17 34.249 22.337 31.540 106 HA2 GLY 17 HA2 GLY 17 34.989 21.586 34.006 107 HA3 GLY 17 HA3 GLY 17 35.778 23.167 33.930 108 H TYR 18 H TYR 18 33.037 23.643 32.136 109 HA TYR 18 HA TYR 18 31.887 25.223 34.274 110 HB2 TYR 18 HB2 TYR 18 31.132 24.785 31.368 111 HB3 TYR 18 HB3 TYR 18 30.380 25.980 32.393 112 HD1 TYR 18 HD1 TYR 18 31.291 28.119 32.733 113 HD2 TYR 18 HD2 TYR 18 33.709 25.015 30.979 114 HE1 TYR 18 HE1 TYR 18 32.990 29.804 32.107 115 HE2 TYR 18 HE2 TYR 18 35.437 26.703 30.387 116 HH TYR 18 HH TYR 18 34.921 30.183 30.902 117 H ARG 19 H ARG 19 29.232 25.259 33.569 118 HA ARG 19 HA ARG 19 28.072 22.623 34.422 119 HB2 ARG 19 HB2 ARG 19 27.346 25.344 35.586 120 HB3 ARG 19 HB3 ARG 19 26.445 23.862 35.816 121 HG2 ARG 19 HG2 ARG 19 27.619 23.900 37.766 122 HG3 ARG 19 HG3 ARG 19 28.610 22.841 36.789 123 HD2 ARG 19 HD2 ARG 19 29.960 24.393 38.117 124 HD3 ARG 19 HD3 ARG 19 30.211 24.669 36.395 125 HE ARG 19 HE ARG 19 28.168 26.410 37.586 126 HH11 ARG 19 HH11 ARG 19 31.650 26.129 37.329 127 HH12 ARG 19 HH12 ARG 19 31.866 27.855 37.436 128 HH21 ARG 19 HH21 ARG 19 28.494 28.529 37.639 129 HH22 ARG 19 HH22 ARG 19 30.078 29.236 37.369 130 H GLN 20 H GLN 20 28.163 24.917 32.034 131 HA GLN 20 HA GLN 20 25.661 24.257 30.789 132 HB2 GLN 20 HB2 GLN 20 25.759 26.447 32.688 133 HB3 GLN 20 HB3 GLN 20 25.541 27.117 31.088 134 HG2 GLN 20 HG2 GLN 20 23.803 24.918 32.332 135 HG3 GLN 20 HG3 GLN 20 23.475 26.643 32.422 136 HE21 GLN 20 HE21 GLN 20 21.592 26.465 29.459 137 HE22 GLN 20 HE22 GLN 20 21.622 26.838 31.191 138 H GLY 21 H GLY 21 25.377 25.425 28.725 139 HA2 GLY 21 HA2 GLY 21 27.439 26.955 27.581 140 HA3 GLY 21 HA3 GLY 21 27.718 25.267 27.140 141 H TYR 22 H TYR 22 26.950 27.689 25.575 142 HA TYR 22 HA TYR 22 24.728 26.654 23.966 143 HB2 TYR 22 HB2 TYR 22 23.666 29.096 24.392 144 HB3 TYR 22 HB3 TYR 22 23.242 27.655 25.297 145 HD1 TYR 22 HD1 TYR 22 25.604 30.571 25.471 146 HD2 TYR 22 HD2 TYR 22 23.335 27.601 27.618 147 HE1 TYR 22 HE1 TYR 22 26.397 31.525 27.639 148 HE2 TYR 22 HE2 TYR 22 24.101 28.589 29.782 149 HH TYR 22 HH TYR 22 26.759 30.774 29.921 150 H CYS 23 H CYS 23 24.245 28.130 22.110 151 HA CYS 23 HA CYS 23 26.821 28.896 20.895 152 HB2 CYS 23 HB2 CYS 23 24.100 28.141 19.799 153 HB3 CYS 23 HB3 CYS 23 25.319 28.918 18.796 154 H TRP 24 H TRP 24 27.053 30.704 19.526 155 HA TRP 24 HA TRP 24 25.838 33.216 20.438 156 HB2 TRP 24 HB2 TRP 24 27.974 32.468 18.424 157 HB3 TRP 24 HB3 TRP 24 27.372 34.108 18.587 158 HD1 TRP 24 HD1 TRP 24 29.184 31.473 20.737 159 HE1 TRP 24 HE1 TRP 24 30.687 32.675 22.446 160 HE3 TRP 24 HE3 TRP 24 27.852 36.323 19.748 161 HZ2 TRP 24 HZ2 TRP 24 31.022 35.329 23.457 162 HZ3 TRP 24 HZ3 TRP 24 28.797 38.174 21.107 163 HH2 TRP 24 HH2 TRP 24 30.356 37.700 22.975 164 H GLY 25 H GLY 25 25.041 34.813 18.875 165 HA2 GLY 25 HA2 GLY 25 22.754 33.822 17.531 166 HA3 GLY 25 HA3 GLY 25 23.400 35.469 17.408 167 H ILE 26 H ILE 26 25.871 34.893 16.153 168 HA ILE 26 HA ILE 26 25.323 33.194 13.762 169 HB ILE 26 HB ILE 26 26.316 34.764 12.229 170 HG12 ILE 26 HG12 ILE 26 26.462 36.714 14.556 171 HG13 ILE 26 HG13 ILE 26 27.820 35.983 13.699 172 HG21 ILE 26 HG21 ILE 26 24.446 36.247 11.969 173 HG22 ILE 26 HG22 ILE 26 23.854 34.715 12.600 174 HG23 ILE 26 HG23 ILE 26 24.012 36.112 13.685 175 HD11 ILE 26 HD11 ILE 26 27.563 38.254 12.958 176 HD12 ILE 26 HD12 ILE 26 27.126 37.175 11.620 177 HD13 ILE 26 HD13 ILE 26 25.858 38.005 12.558 178 H GLN 27 H GLN 27 27.606 34.321 16.121 179 HA GLN 27 HA GLN 27 29.967 33.495 14.680 180 HB2 GLN 27 HB2 GLN 27 29.598 34.393 17.560 181 HB3 GLN 27 HB3 GLN 27 31.152 34.204 16.759 182 HG2 GLN 27 HG2 GLN 27 29.034 36.164 15.771 183 HG3 GLN 27 HG3 GLN 27 30.237 36.552 16.984 184 HE21 GLN 27 HE21 GLN 27 32.784 37.111 14.631 185 HE22 GLN 27 HE22 GLN 27 32.061 37.517 16.197 186 H TYR 28 H TYR 28 28.857 31.214 14.471 187 HA TYR 28 HA TYR 28 28.787 29.463 16.686 188 HB2 TYR 28 HB2 TYR 28 29.173 28.612 13.819 189 HB3 TYR 28 HB3 TYR 28 28.356 27.726 15.097 190 HD1 TYR 28 HD1 TYR 28 27.494 28.698 12.188 191 HD2 TYR 28 HD2 TYR 28 26.609 30.061 16.191 192 HE1 TYR 28 HE1 TYR 28 25.432 29.784 11.360 193 HE2 TYR 28 HE2 TYR 28 24.584 31.203 15.359 194 HH TYR 28 HH TYR 28 23.799 31.282 11.859 195 H LYS 29 H LYS 29 31.607 30.502 15.105 196 HA LYS 29 HA LYS 29 33.445 28.453 15.033 197 HB2 LYS 29 HB2 LYS 29 33.843 31.249 16.189 198 HB3 LYS 29 HB3 LYS 29 35.148 30.165 15.696 199 HG2 LYS 29 HG2 LYS 29 34.479 30.269 13.378 200 HG3 LYS 29 HG3 LYS 29 33.019 31.191 13.781 201 HD2 LYS 29 HD2 LYS 29 34.344 33.057 14.610 202 HD3 LYS 29 HD3 LYS 29 35.852 32.192 14.300 203 HE2 LYS 29 HE2 LYS 29 33.812 32.856 12.121 204 HE3 LYS 29 HE3 LYS 29 35.114 33.948 12.587 205 HZ1 LYS 29 HZ1 LYS 29 35.504 31.228 11.467 206 HZ2 LYS 29 HZ2 LYS 29 35.849 32.684 10.753 207 HZ3 LYS 29 HZ3 LYS 29 36.707 32.164 12.057 208 H TYR 30 H TYR 30 32.421 30.083 18.038 209 HA TYR 30 HA TYR 30 33.614 27.871 19.617 210 HB2 TYR 30 HB2 TYR 30 33.987 30.815 20.286 211 HB3 TYR 30 HB3 TYR 30 34.568 29.446 21.216 212 HD1 TYR 30 HD1 TYR 30 36.330 27.934 20.264 213 HD2 TYR 30 HD2 TYR 30 35.255 31.661 18.384 214 HE1 TYR 30 HE1 TYR 30 38.376 27.821 18.869 215 HE2 TYR 30 HE2 TYR 30 37.313 31.528 16.963 216 HH TYR 30 HH TYR 30 39.390 28.631 17.008 217 H CYS 31 H CYS 31 32.499 27.256 21.420 218 HA CYS 31 HA CYS 31 29.751 28.174 21.809 219 HB2 CYS 31 HB2 CYS 31 31.543 26.309 23.390 220 HB3 CYS 31 HB3 CYS 31 29.862 26.612 23.789 221 H GLN 32 H GLN 32 28.876 29.120 23.689 222 HA GLN 32 HA GLN 32 30.726 30.674 25.454 223 HB2 GLN 32 HB2 GLN 32 29.095 31.989 24.086 224 HB3 GLN 32 HB3 GLN 32 27.774 31.106 24.850 225 HG2 GLN 32 HG2 GLN 32 28.535 31.987 27.078 226 HG3 GLN 32 HG3 GLN 32 29.814 32.870 26.261 227 HE21 GLN 32 HE21 GLN 32 27.194 35.364 26.783 228 HE22 GLN 32 HE22 GLN 32 28.186 34.345 27.816 229 H CYS 33 H CYS 33 30.794 30.079 27.583 230 HA CYS 33 HA CYS 33 29.100 27.751 28.508 231 HB2 CYS 33 HB2 CYS 33 31.800 28.736 29.419 232 HB3 CYS 33 HB3 CYS 33 30.956 27.246 29.872 233 H GLN 34 H GLN 34 29.395 27.779 31.127 234 HA GLN 34 HA GLN 34 27.314 29.528 31.882 235 HB2 GLN 34 HB2 GLN 34 27.779 27.322 32.937 236 HB3 GLN 34 HB3 GLN 34 29.165 28.022 33.759 237 HG2 GLN 34 HG2 GLN 34 27.209 27.847 35.246 238 HG3 GLN 34 HG3 GLN 34 27.749 29.509 35.056 239 HE21 GLN 34 HE21 GLN 34 24.732 30.579 33.371 240 HE22 GLN 34 HE22 GLN 34 26.475 30.872 33.463 Start of MODEL 18 1 H1 GLY 1 H1 GLY 1 17.922 20.471 10.213 2 H2 GLY 1 H2 GLY 1 17.427 21.194 8.803 3 H3 GLY 1 H3 GLY 1 16.350 20.882 9.998 4 HA2 GLY 1 HA2 GLY 1 16.901 23.219 9.905 5 HA3 GLY 1 HA3 GLY 1 17.325 22.461 11.454 6 H SER 2 H SER 2 18.426 24.777 9.717 7 HA SER 2 HA SER 2 21.290 24.098 9.511 8 HB2 SER 2 HB2 SER 2 20.297 25.554 7.859 9 HB3 SER 2 HB3 SER 2 19.661 26.632 9.112 10 HG SER 2 HG SER 2 21.580 27.435 9.502 11 H ALA 3 H ALA 3 19.152 25.486 11.969 12 HA ALA 3 HA ALA 3 21.154 27.141 13.199 13 HB1 ALA 3 HB1 ALA 3 18.489 26.156 14.285 14 HB2 ALA 3 HB2 ALA 3 19.443 27.513 14.909 15 HB3 ALA 3 HB3 ALA 3 18.732 27.606 13.287 16 H CYS 4 H CYS 4 22.278 26.942 15.120 17 HA CYS 4 HA CYS 4 22.885 24.241 16.099 18 HB2 CYS 4 HB2 CYS 4 24.664 25.819 15.749 19 HB3 CYS 4 HB3 CYS 4 23.909 27.010 16.806 20 H GLN 5 H GLN 5 22.742 23.654 18.340 21 HA GLN 5 HA GLN 5 20.649 24.983 19.984 22 HB2 GLN 5 HB2 GLN 5 20.934 22.003 19.442 23 HB3 GLN 5 HB3 GLN 5 19.927 22.709 20.697 24 HG2 GLN 5 HG2 GLN 5 18.750 24.020 18.833 25 HG3 GLN 5 HG3 GLN 5 19.600 22.978 17.691 26 HE21 GLN 5 HE21 GLN 5 16.173 21.611 18.298 27 HE22 GLN 5 HE22 GLN 5 16.922 22.996 17.516 28 H PHE 6 H PHE 6 20.949 24.790 22.252 29 HA PHE 6 HA PHE 6 23.590 25.001 23.055 30 HB2 PHE 6 HB2 PHE 6 22.822 25.181 25.325 31 HB3 PHE 6 HB3 PHE 6 21.737 26.032 24.262 32 HD1 PHE 6 HD1 PHE 6 22.105 22.744 26.095 33 HD2 PHE 6 HD2 PHE 6 19.408 25.707 24.487 34 HE1 PHE 6 HE1 PHE 6 20.177 21.459 26.949 35 HE2 PHE 6 HE2 PHE 6 17.489 24.448 25.408 36 HZ PHE 6 HZ PHE 6 17.859 22.325 26.646 37 H TRP 7 H TRP 7 21.670 21.978 23.127 38 HA TRP 7 HA TRP 7 23.464 20.493 24.746 39 HB2 TRP 7 HB2 TRP 7 22.353 18.602 24.048 40 HB3 TRP 7 HB3 TRP 7 21.142 19.863 23.935 41 HD1 TRP 7 HD1 TRP 7 20.544 20.663 21.382 42 HE1 TRP 7 HE1 TRP 7 20.834 19.560 19.069 43 HE3 TRP 7 HE3 TRP 7 23.685 16.826 22.671 44 HZ2 TRP 7 HZ2 TRP 7 21.931 17.122 18.018 45 HZ3 TRP 7 HZ3 TRP 7 24.331 15.121 20.988 46 HH2 TRP 7 HH2 TRP 7 23.430 15.224 18.671 47 H SER 8 H SER 8 23.789 21.495 21.409 48 HA SER 8 HA SER 8 26.083 19.804 20.813 49 HB2 SER 8 HB2 SER 8 24.316 20.924 19.205 50 HB3 SER 8 HB3 SER 8 25.457 22.283 19.233 51 HG SER 8 HG SER 8 25.900 19.557 18.559 52 H CYS 9 H CYS 9 25.951 22.151 23.010 53 HA CYS 9 HA CYS 9 28.836 22.889 22.809 54 HB2 CYS 9 HB2 CYS 9 26.386 24.630 23.198 55 HB3 CYS 9 HB3 CYS 9 27.948 25.115 23.843 56 H ASN 10 H ASN 10 25.972 22.465 24.912 57 HA ASN 10 HA ASN 10 26.980 23.274 27.317 58 HB2 ASN 10 HB2 ASN 10 24.615 22.767 26.808 59 HB3 ASN 10 HB3 ASN 10 24.968 21.037 26.804 60 HD21 ASN 10 HD21 ASN 10 24.312 20.949 30.278 61 HD22 ASN 10 HD22 ASN 10 24.262 20.092 28.759 62 H SER 11 H SER 11 26.984 19.813 26.287 63 HA SER 11 HA SER 11 28.466 18.947 28.580 64 HB2 SER 11 HB2 SER 11 27.056 17.472 27.171 65 HB3 SER 11 HB3 SER 11 28.260 17.604 25.870 66 HG SER 11 HG SER 11 28.701 16.614 28.514 67 H SER 12 H SER 12 29.594 20.210 25.437 68 HA SER 12 HA SER 12 32.358 19.558 25.722 69 HB2 SER 12 HB2 SER 12 31.227 22.030 24.363 70 HB3 SER 12 HB3 SER 12 32.745 21.191 24.012 71 HG SER 12 HG SER 12 30.923 20.747 22.584 72 H CYS 13 H CYS 13 30.528 22.534 26.650 73 HA CYS 13 HA CYS 13 32.704 23.820 28.002 74 HB2 CYS 13 HB2 CYS 13 29.685 24.032 28.162 75 HB3 CYS 13 HB3 CYS 13 30.736 24.966 29.208 76 H ILE 14 H ILE 14 29.999 21.823 29.434 77 HA ILE 14 HA ILE 14 31.054 21.755 32.012 78 HB ILE 14 HB ILE 14 29.598 19.510 30.574 79 HG12 ILE 14 HG12 ILE 14 28.428 21.459 32.587 80 HG13 ILE 14 HG13 ILE 14 28.468 21.902 30.893 81 HG21 ILE 14 HG21 ILE 14 30.699 18.615 32.533 82 HG22 ILE 14 HG22 ILE 14 30.323 20.073 33.468 83 HG23 ILE 14 HG23 ILE 14 29.034 18.922 33.042 84 HD11 ILE 14 HD11 ILE 14 27.147 19.902 30.299 85 HD12 ILE 14 HD12 ILE 14 27.069 19.445 32.016 86 HD13 ILE 14 HD13 ILE 14 26.317 20.951 31.467 87 H SER 15 H SER 15 32.047 19.600 29.314 88 HA SER 15 HA SER 15 33.839 17.986 30.798 89 HB2 SER 15 HB2 SER 15 34.026 18.829 27.880 90 HB3 SER 15 HB3 SER 15 34.933 17.510 28.641 91 HG SER 15 HG SER 15 32.120 17.734 28.293 92 H ARG 16 H ARG 16 34.323 21.247 29.527 93 HA ARG 16 HA ARG 16 37.197 21.399 30.064 94 HB2 ARG 16 HB2 ARG 16 35.083 23.562 29.645 95 HB3 ARG 16 HB3 ARG 16 36.796 23.883 29.840 96 HG2 ARG 16 HG2 ARG 16 37.329 22.708 27.790 97 HG3 ARG 16 HG3 ARG 16 35.677 22.089 27.678 98 HD2 ARG 16 HD2 ARG 16 36.127 23.917 26.071 99 HD3 ARG 16 HD3 ARG 16 34.789 24.259 27.173 100 HE ARG 16 HE ARG 16 37.355 25.314 28.102 101 HH11 ARG 16 HH11 ARG 16 34.839 26.080 25.746 102 HH12 ARG 16 HH12 ARG 16 34.951 27.801 26.080 103 HH21 ARG 16 HH21 ARG 16 37.432 27.518 28.431 104 HH22 ARG 16 HH22 ARG 16 36.484 28.581 27.424 105 H GLY 17 H GLY 17 34.298 22.015 31.918 106 HA2 GLY 17 HA2 GLY 17 34.908 21.451 34.388 107 HA3 GLY 17 HA3 GLY 17 35.802 22.972 34.308 108 H TYR 18 H TYR 18 33.131 23.499 32.345 109 HA TYR 18 HA TYR 18 31.935 25.170 34.420 110 HB2 TYR 18 HB2 TYR 18 31.425 24.847 31.447 111 HB3 TYR 18 HB3 TYR 18 30.696 26.072 32.461 112 HD1 TYR 18 HD1 TYR 18 31.995 27.912 33.436 113 HD2 TYR 18 HD2 TYR 18 33.845 24.955 30.932 114 HE1 TYR 18 HE1 TYR 18 33.959 29.398 33.168 115 HE2 TYR 18 HE2 TYR 18 35.851 26.459 30.653 116 HH TYR 18 HH TYR 18 36.950 28.405 31.832 117 H ARG 19 H ARG 19 29.334 25.382 33.613 118 HA ARG 19 HA ARG 19 27.971 22.782 34.133 119 HB2 ARG 19 HB2 ARG 19 27.718 25.210 35.939 120 HB3 ARG 19 HB3 ARG 19 26.509 23.933 35.844 121 HG2 ARG 19 HG2 ARG 19 27.665 23.138 37.600 122 HG3 ARG 19 HG3 ARG 19 28.489 22.304 36.288 123 HD2 ARG 19 HD2 ARG 19 30.103 24.468 36.437 124 HD3 ARG 19 HD3 ARG 19 29.418 24.562 38.063 125 HE ARG 19 HE ARG 19 30.383 21.904 37.242 126 HH11 ARG 19 HH11 ARG 19 31.665 24.927 38.497 127 HH12 ARG 19 HH12 ARG 19 32.977 24.060 39.284 128 HH21 ARG 19 HH21 ARG 19 32.045 20.956 38.386 129 HH22 ARG 19 HH22 ARG 19 33.181 22.021 39.217 130 H GLN 20 H GLN 20 28.285 24.925 31.933 131 HA GLN 20 HA GLN 20 25.624 24.850 30.896 132 HB2 GLN 20 HB2 GLN 20 26.291 27.092 32.578 133 HB3 GLN 20 HB3 GLN 20 26.411 27.682 30.930 134 HG2 GLN 20 HG2 GLN 20 24.097 26.931 30.478 135 HG3 GLN 20 HG3 GLN 20 24.010 26.291 32.127 136 HE21 GLN 20 HE21 GLN 20 23.826 29.600 33.633 137 HE22 GLN 20 HE22 GLN 20 24.483 27.997 33.937 138 H GLY 21 H GLY 21 25.589 25.466 28.693 139 HA2 GLY 21 HA2 GLY 21 27.579 27.029 27.524 140 HA3 GLY 21 HA3 GLY 21 28.002 25.375 27.135 141 H TYR 22 H TYR 22 27.145 27.698 25.462 142 HA TYR 22 HA TYR 22 25.065 26.433 23.806 143 HB2 TYR 22 HB2 TYR 22 23.683 28.571 23.930 144 HB3 TYR 22 HB3 TYR 22 23.623 27.510 25.317 145 HD1 TYR 22 HD1 TYR 22 24.503 28.135 27.454 146 HD2 TYR 22 HD2 TYR 22 24.885 30.774 24.065 147 HE1 TYR 22 HE1 TYR 22 25.192 29.975 28.970 148 HE2 TYR 22 HE2 TYR 22 25.476 32.652 25.590 149 HH TYR 22 HH TYR 22 25.227 32.298 29.102 150 H CYS 23 H CYS 23 24.495 27.833 21.920 151 HA CYS 23 HA CYS 23 26.954 29.106 20.798 152 HB2 CYS 23 HB2 CYS 23 25.905 28.260 18.581 153 HB3 CYS 23 HB3 CYS 23 26.823 27.175 19.609 154 H TRP 24 H TRP 24 26.696 30.773 19.264 155 HA TRP 24 HA TRP 24 24.468 32.606 19.840 156 HB2 TRP 24 HB2 TRP 24 26.975 32.907 18.169 157 HB3 TRP 24 HB3 TRP 24 25.871 34.192 18.585 158 HD1 TRP 24 HD1 TRP 24 28.883 32.422 19.825 159 HE1 TRP 24 HE1 TRP 24 29.622 33.277 22.092 160 HE3 TRP 24 HE3 TRP 24 24.690 35.115 21.029 161 HZ2 TRP 24 HZ2 TRP 24 28.510 34.911 24.219 162 HZ3 TRP 24 HZ3 TRP 24 24.533 36.249 23.236 163 HH2 TRP 24 HH2 TRP 24 26.431 36.148 24.839 164 H GLY 25 H GLY 25 23.843 33.932 17.690 165 HA2 GLY 25 HA2 GLY 25 22.133 32.110 16.275 166 HA3 GLY 25 HA3 GLY 25 22.284 33.844 15.997 167 H ILE 26 H ILE 26 24.569 34.383 14.921 168 HA ILE 26 HA ILE 26 25.402 32.448 12.829 169 HB ILE 26 HB ILE 26 24.135 35.157 12.367 170 HG12 ILE 26 HG12 ILE 26 22.620 33.211 12.264 171 HG13 ILE 26 HG13 ILE 26 22.733 34.073 10.750 172 HG21 ILE 26 HG21 ILE 26 25.957 33.715 10.417 173 HG22 ILE 26 HG22 ILE 26 24.815 34.991 9.954 174 HG23 ILE 26 HG23 ILE 26 26.132 35.361 11.057 175 HD11 ILE 26 HD11 ILE 26 22.663 31.671 10.357 176 HD12 ILE 26 HD12 ILE 26 24.217 32.307 9.818 177 HD13 ILE 26 HD13 ILE 26 24.106 31.415 11.356 178 H GLN 27 H GLN 27 27.461 32.529 12.401 179 HA GLN 27 HA GLN 27 29.638 32.866 12.545 180 HB2 GLN 27 HB2 GLN 27 28.768 35.674 11.942 181 HB3 GLN 27 HB3 GLN 27 30.471 35.219 12.050 182 HG2 GLN 27 HG2 GLN 27 28.431 33.960 10.177 183 HG3 GLN 27 HG3 GLN 27 29.681 35.107 9.719 184 HE21 GLN 27 HE21 GLN 27 30.774 31.433 9.179 185 HE22 GLN 27 HE22 GLN 27 29.180 32.156 8.938 186 H TYR 28 H TYR 28 30.104 32.034 14.381 187 HA TYR 28 HA TYR 28 31.234 33.819 16.454 188 HB2 TYR 28 HB2 TYR 28 30.361 32.205 18.169 189 HB3 TYR 28 HB3 TYR 28 29.179 33.266 17.425 190 HD1 TYR 28 HD1 TYR 28 27.495 32.390 15.799 191 HD2 TYR 28 HD2 TYR 28 30.228 29.766 17.870 192 HE1 TYR 28 HE1 TYR 28 26.063 30.436 15.212 193 HE2 TYR 28 HE2 TYR 28 28.795 27.818 17.280 194 HH TYR 28 HH TYR 28 26.992 27.085 15.975 195 H LYS 29 H LYS 29 33.001 32.895 17.628 196 HA LYS 29 HA LYS 29 34.540 30.961 15.994 197 HB2 LYS 29 HB2 LYS 29 35.419 32.502 18.458 198 HB3 LYS 29 HB3 LYS 29 36.446 31.659 17.291 199 HG2 LYS 29 HG2 LYS 29 35.585 33.297 15.520 200 HG3 LYS 29 HG3 LYS 29 34.789 34.162 16.848 201 HD2 LYS 29 HD2 LYS 29 37.096 34.297 17.962 202 HD3 LYS 29 HD3 LYS 29 37.748 33.788 16.388 203 HE2 LYS 29 HE2 LYS 29 36.398 35.744 15.386 204 HE3 LYS 29 HE3 LYS 29 36.137 36.288 17.044 205 HZ1 LYS 29 HZ1 LYS 29 38.647 36.352 17.258 206 HZ2 LYS 29 HZ2 LYS 29 38.758 36.003 15.658 207 HZ3 LYS 29 HZ3 LYS 29 38.078 37.391 16.129 208 H TYR 30 H TYR 30 33.049 31.066 19.188 209 HA TYR 30 HA TYR 30 33.715 28.202 19.693 210 HB2 TYR 30 HB2 TYR 30 34.141 30.421 21.725 211 HB3 TYR 30 HB3 TYR 30 34.577 28.732 21.886 212 HD1 TYR 30 HD1 TYR 30 36.383 27.820 20.207 213 HD2 TYR 30 HD2 TYR 30 35.748 32.003 21.038 214 HE1 TYR 30 HE1 TYR 30 38.718 28.305 19.517 215 HE2 TYR 30 HE2 TYR 30 38.085 32.493 20.305 216 HH TYR 30 HH TYR 30 40.421 29.944 19.755 217 H CYS 31 H CYS 31 32.453 27.263 21.490 218 HA CYS 31 HA CYS 31 29.732 28.309 21.800 219 HB2 CYS 31 HB2 CYS 31 31.303 26.143 23.255 220 HB3 CYS 31 HB3 CYS 31 29.602 26.479 23.531 221 H GLN 32 H GLN 32 28.926 29.488 23.587 222 HA GLN 32 HA GLN 32 30.948 30.586 25.494 223 HB2 GLN 32 HB2 GLN 32 29.565 32.299 24.617 224 HB3 GLN 32 HB3 GLN 32 28.076 31.397 24.958 225 HG2 GLN 32 HG2 GLN 32 28.233 31.736 27.278 226 HG3 GLN 32 HG3 GLN 32 29.975 31.996 27.241 227 HE21 GLN 32 HE21 GLN 32 27.661 35.208 27.309 228 HE22 GLN 32 HE22 GLN 32 27.019 33.591 27.504 229 H CYS 33 H CYS 33 31.168 29.753 27.450 230 HA CYS 33 HA CYS 33 29.433 27.543 28.425 231 HB2 CYS 33 HB2 CYS 33 32.050 28.650 29.474 232 HB3 CYS 33 HB3 CYS 33 31.247 27.158 29.954 233 H GLN 34 H GLN 34 29.684 27.764 31.116 234 HA GLN 34 HA GLN 34 27.593 29.491 31.940 235 HB2 GLN 34 HB2 GLN 34 28.502 27.456 33.139 236 HB3 GLN 34 HB3 GLN 34 29.905 28.423 33.602 237 HG2 GLN 34 HG2 GLN 34 28.408 29.988 34.845 238 HG3 GLN 34 HG3 GLN 34 27.022 29.004 34.362 239 HE21 GLN 34 HE21 GLN 34 27.418 27.400 37.500 240 HE22 GLN 34 HE22 GLN 34 26.456 28.480 36.491 Start of MODEL 19 1 H1 GLY 1 H1 GLY 1 18.491 30.329 7.153 2 H2 GLY 1 H2 GLY 1 19.249 30.536 8.603 3 H3 GLY 1 H3 GLY 1 17.818 29.715 8.519 4 HA2 GLY 1 HA2 GLY 1 18.849 27.989 7.199 5 HA3 GLY 1 HA3 GLY 1 20.389 28.856 7.392 6 H SER 2 H SER 2 20.687 26.518 8.135 7 HA SER 2 HA SER 2 19.632 25.427 10.438 8 HB2 SER 2 HB2 SER 2 22.409 25.011 9.267 9 HB3 SER 2 HB3 SER 2 21.640 23.964 10.476 10 HG SER 2 HG SER 2 20.686 24.530 7.852 11 H ALA 3 H ALA 3 19.839 25.625 12.564 12 HA ALA 3 HA ALA 3 21.838 27.501 13.652 13 HB1 ALA 3 HB1 ALA 3 19.443 27.894 14.079 14 HB2 ALA 3 HB2 ALA 3 19.330 26.313 14.885 15 HB3 ALA 3 HB3 ALA 3 20.332 27.587 15.582 16 H CYS 4 H CYS 4 22.969 27.173 15.525 17 HA CYS 4 HA CYS 4 24.119 24.572 16.118 18 HB2 CYS 4 HB2 CYS 4 25.479 26.457 16.399 19 HB3 CYS 4 HB3 CYS 4 24.242 27.341 17.286 20 H GLN 5 H GLN 5 23.220 23.004 17.392 21 HA GLN 5 HA GLN 5 20.940 23.540 19.173 22 HB2 GLN 5 HB2 GLN 5 22.510 20.962 18.770 23 HB3 GLN 5 HB3 GLN 5 20.985 21.184 19.643 24 HG2 GLN 5 HG2 GLN 5 19.853 21.863 17.609 25 HG3 GLN 5 HG3 GLN 5 21.311 21.571 16.664 26 HE21 GLN 5 HE21 GLN 5 19.082 18.602 16.294 27 HE22 GLN 5 HE22 GLN 5 19.119 20.306 15.828 28 H PHE 6 H PHE 6 21.221 24.357 21.186 29 HA PHE 6 HA PHE 6 23.591 24.925 22.386 30 HB2 PHE 6 HB2 PHE 6 22.373 25.376 24.426 31 HB3 PHE 6 HB3 PHE 6 21.490 25.953 23.039 32 HD1 PHE 6 HD1 PHE 6 21.590 23.258 25.639 33 HD2 PHE 6 HD2 PHE 6 19.235 25.234 22.614 34 HE1 PHE 6 HE1 PHE 6 19.596 22.000 26.372 35 HE2 PHE 6 HE2 PHE 6 17.223 24.006 23.386 36 HZ PHE 6 HZ PHE 6 17.394 22.369 25.255 37 H TRP 7 H TRP 7 21.852 21.832 22.901 38 HA TRP 7 HA TRP 7 23.214 20.994 25.195 39 HB2 TRP 7 HB2 TRP 7 22.349 18.883 24.806 40 HB3 TRP 7 HB3 TRP 7 21.195 19.939 24.013 41 HD1 TRP 7 HD1 TRP 7 21.533 20.078 21.243 42 HE1 TRP 7 HE1 TRP 7 22.268 18.327 19.533 43 HE3 TRP 7 HE3 TRP 7 23.733 16.750 24.451 44 HZ2 TRP 7 HZ2 TRP 7 23.780 15.861 19.556 45 HZ3 TRP 7 HZ3 TRP 7 24.806 14.694 23.575 46 HH2 TRP 7 HH2 TRP 7 24.855 14.241 21.132 47 H SER 8 H SER 8 24.358 20.813 21.836 48 HA SER 8 HA SER 8 26.560 19.044 22.334 49 HB2 SER 8 HB2 SER 8 25.593 19.538 20.069 50 HB3 SER 8 HB3 SER 8 26.321 21.153 20.154 51 HG SER 8 HG SER 8 27.448 18.690 19.645 52 H CYS 9 H CYS 9 26.292 22.587 22.315 53 HA CYS 9 HA CYS 9 29.001 23.119 23.189 54 HB2 CYS 9 HB2 CYS 9 26.387 24.681 23.212 55 HB3 CYS 9 HB3 CYS 9 27.878 25.322 23.892 56 H ASN 10 H ASN 10 25.899 22.683 24.943 57 HA ASN 10 HA ASN 10 26.742 23.504 27.452 58 HB2 ASN 10 HB2 ASN 10 24.412 22.964 26.536 59 HB3 ASN 10 HB3 ASN 10 24.717 21.281 26.975 60 HD21 ASN 10 HD21 ASN 10 23.908 21.985 30.371 61 HD22 ASN 10 HD22 ASN 10 24.379 20.745 29.214 62 H SER 11 H SER 11 26.606 20.067 26.377 63 HA SER 11 HA SER 11 28.022 19.145 28.724 64 HB2 SER 11 HB2 SER 11 27.474 17.731 26.094 65 HB3 SER 11 HB3 SER 11 28.031 16.975 27.604 66 HG SER 11 HG SER 11 25.832 16.787 27.656 67 H SER 12 H SER 12 29.173 20.311 25.576 68 HA SER 12 HA SER 12 31.907 19.396 25.905 69 HB2 SER 12 HB2 SER 12 31.010 20.095 23.740 70 HB3 SER 12 HB3 SER 12 30.825 21.756 24.329 71 HG SER 12 HG SER 12 32.790 21.191 23.123 72 H CYS 13 H CYS 13 30.297 22.561 26.726 73 HA CYS 13 HA CYS 13 32.540 23.716 28.007 74 HB2 CYS 13 HB2 CYS 13 29.543 24.060 28.308 75 HB3 CYS 13 HB3 CYS 13 30.685 24.989 29.269 76 H ILE 14 H ILE 14 29.910 21.689 29.535 77 HA ILE 14 HA ILE 14 31.104 21.710 32.116 78 HB ILE 14 HB ILE 14 29.526 19.454 30.826 79 HG12 ILE 14 HG12 ILE 14 28.498 21.513 32.813 80 HG13 ILE 14 HG13 ILE 14 28.426 21.850 31.098 81 HG21 ILE 14 HG21 ILE 14 29.105 18.920 33.316 82 HG22 ILE 14 HG22 ILE 14 30.758 18.652 32.770 83 HG23 ILE 14 HG23 ILE 14 30.374 20.115 33.685 84 HD11 ILE 14 HD11 ILE 14 27.065 19.507 32.473 85 HD12 ILE 14 HD12 ILE 14 26.296 20.971 31.839 86 HD13 ILE 14 HD13 ILE 14 27.055 19.821 30.722 87 H SER 15 H SER 15 31.934 19.697 29.289 88 HA SER 15 HA SER 15 33.897 18.079 30.641 89 HB2 SER 15 HB2 SER 15 33.728 18.742 27.679 90 HB3 SER 15 HB3 SER 15 34.598 17.402 28.428 91 HG SER 15 HG SER 15 31.801 17.854 28.255 92 H ARG 16 H ARG 16 34.070 21.373 29.483 93 HA ARG 16 HA ARG 16 37.016 21.549 29.792 94 HB2 ARG 16 HB2 ARG 16 34.925 23.740 29.432 95 HB3 ARG 16 HB3 ARG 16 36.670 23.979 29.476 96 HG2 ARG 16 HG2 ARG 16 36.910 22.577 27.434 97 HG3 ARG 16 HG3 ARG 16 35.158 22.311 27.441 98 HD2 ARG 16 HD2 ARG 16 35.704 24.002 25.791 99 HD3 ARG 16 HD3 ARG 16 34.749 24.705 27.103 100 HE ARG 16 HE ARG 16 37.690 24.959 27.388 101 HH11 ARG 16 HH11 ARG 16 34.927 26.650 25.965 102 HH12 ARG 16 HH12 ARG 16 35.569 28.196 26.430 103 HH21 ARG 16 HH21 ARG 16 38.532 26.836 27.601 104 HH22 ARG 16 HH22 ARG 16 37.673 28.331 27.245 105 H GLY 17 H GLY 17 34.164 21.970 31.772 106 HA2 GLY 17 HA2 GLY 17 34.861 21.366 34.159 107 HA3 GLY 17 HA3 GLY 17 35.793 22.865 34.120 108 H TYR 18 H TYR 18 33.059 23.527 32.344 109 HA TYR 18 HA TYR 18 31.988 25.206 34.451 110 HB2 TYR 18 HB2 TYR 18 31.307 24.776 31.517 111 HB3 TYR 18 HB3 TYR 18 30.625 26.037 32.506 112 HD1 TYR 18 HD1 TYR 18 31.866 27.980 33.207 113 HD2 TYR 18 HD2 TYR 18 33.745 24.868 30.924 114 HE1 TYR 18 HE1 TYR 18 33.796 29.474 32.772 115 HE2 TYR 18 HE2 TYR 18 35.672 26.388 30.422 116 HH TYR 18 HH TYR 18 35.682 29.785 31.526 117 H ARG 19 H ARG 19 29.321 25.370 33.630 118 HA ARG 19 HA ARG 19 28.060 22.776 34.490 119 HB2 ARG 19 HB2 ARG 19 27.121 25.494 35.452 120 HB3 ARG 19 HB3 ARG 19 26.464 23.922 35.843 121 HG2 ARG 19 HG2 ARG 19 27.714 24.025 37.719 122 HG3 ARG 19 HG3 ARG 19 29.038 23.538 36.678 123 HD2 ARG 19 HD2 ARG 19 29.808 25.423 37.913 124 HD3 ARG 19 HD3 ARG 19 29.509 25.985 36.261 125 HE ARG 19 HE ARG 19 27.176 26.388 37.922 126 HH11 ARG 19 HH11 ARG 19 30.334 27.800 37.295 127 HH12 ARG 19 HH12 ARG 19 29.946 29.269 38.187 128 HH21 ARG 19 HH21 ARG 19 26.688 28.443 38.795 129 HH22 ARG 19 HH22 ARG 19 27.917 29.686 38.772 130 H GLN 20 H GLN 20 28.221 25.076 32.072 131 HA GLN 20 HA GLN 20 25.853 24.274 30.715 132 HB2 GLN 20 HB2 GLN 20 25.243 26.103 32.643 133 HB3 GLN 20 HB3 GLN 20 25.774 27.215 31.385 134 HG2 GLN 20 HG2 GLN 20 24.048 26.278 29.855 135 HG3 GLN 20 HG3 GLN 20 23.643 25.047 31.070 136 HE21 GLN 20 HE21 GLN 20 21.060 27.270 32.046 137 HE22 GLN 20 HE22 GLN 20 21.454 25.669 31.408 138 H GLY 21 H GLY 21 25.574 25.450 28.664 139 HA2 GLY 21 HA2 GLY 21 27.486 27.217 27.632 140 HA3 GLY 21 HA3 GLY 21 27.977 25.591 27.155 141 H TYR 22 H TYR 22 27.194 27.798 25.432 142 HA TYR 22 HA TYR 22 25.085 26.632 23.773 143 HB2 TYR 22 HB2 TYR 22 23.716 28.887 24.111 144 HB3 TYR 22 HB3 TYR 22 23.490 27.492 25.139 145 HD1 TYR 22 HD1 TYR 22 25.691 30.574 25.074 146 HD2 TYR 22 HD2 TYR 22 23.334 27.823 27.407 147 HE1 TYR 22 HE1 TYR 22 26.231 31.850 27.145 148 HE2 TYR 22 HE2 TYR 22 23.877 29.098 29.466 149 HH TYR 22 HH TYR 22 24.671 31.095 30.274 150 H CYS 23 H CYS 23 24.489 28.041 21.921 151 HA CYS 23 HA CYS 23 26.740 29.765 20.973 152 HB2 CYS 23 HB2 CYS 23 24.461 28.374 19.532 153 HB3 CYS 23 HB3 CYS 23 25.558 29.514 18.766 154 H TRP 24 H TRP 24 25.773 31.532 19.418 155 HA TRP 24 HA TRP 24 23.278 32.797 20.413 156 HB2 TRP 24 HB2 TRP 24 26.016 34.080 20.342 157 HB3 TRP 24 HB3 TRP 24 24.509 34.987 20.518 158 HD1 TRP 24 HD1 TRP 24 27.153 33.542 22.521 159 HE1 TRP 24 HE1 TRP 24 26.523 33.473 25.032 160 HE3 TRP 24 HE3 TRP 24 22.117 34.362 22.132 161 HZ2 TRP 24 HZ2 TRP 24 24.144 33.619 26.618 162 HZ3 TRP 24 HZ3 TRP 24 20.691 34.424 24.164 163 HH2 TRP 24 HH2 TRP 24 21.687 34.055 26.409 164 H GLY 25 H GLY 25 22.256 32.457 18.440 165 HA2 GLY 25 HA2 GLY 25 21.540 33.127 16.345 166 HA3 GLY 25 HA3 GLY 25 22.552 34.559 16.547 167 H ILE 26 H ILE 26 24.154 34.804 15.130 168 HA ILE 26 HA ILE 26 25.033 32.498 13.402 169 HB ILE 26 HB ILE 26 24.572 35.422 12.744 170 HG12 ILE 26 HG12 ILE 26 23.089 33.040 11.545 171 HG13 ILE 26 HG13 ILE 26 22.499 33.881 12.972 172 HG21 ILE 26 HG21 ILE 26 25.070 34.793 10.370 173 HG22 ILE 26 HG22 ILE 26 26.467 34.607 11.411 174 HG23 ILE 26 HG23 ILE 26 25.534 33.174 10.919 175 HD11 ILE 26 HD11 ILE 26 22.474 36.036 11.704 176 HD12 ILE 26 HD12 ILE 26 22.846 35.111 10.229 177 HD13 ILE 26 HD13 ILE 26 21.347 34.800 11.119 178 H GLN 27 H GLN 27 26.014 35.560 14.940 179 HA GLN 27 HA GLN 27 28.839 35.208 14.109 180 HB2 GLN 27 HB2 GLN 27 27.418 37.510 15.503 181 HB3 GLN 27 HB3 GLN 27 29.072 37.531 14.911 182 HG2 GLN 27 HG2 GLN 27 26.559 37.259 13.182 183 HG3 GLN 27 HG3 GLN 27 27.486 38.731 13.426 184 HE21 GLN 27 HE21 GLN 27 28.562 37.043 10.202 185 HE22 GLN 27 HE22 GLN 27 27.011 37.664 10.781 186 H TYR 28 H TYR 28 29.936 33.812 15.406 187 HA TYR 28 HA TYR 28 30.643 34.640 18.080 188 HB2 TYR 28 HB2 TYR 28 30.079 32.434 19.157 189 HB3 TYR 28 HB3 TYR 28 28.721 33.485 18.837 190 HD1 TYR 28 HD1 TYR 28 30.254 30.232 18.051 191 HD2 TYR 28 HD2 TYR 28 27.060 32.966 17.091 192 HE1 TYR 28 HE1 TYR 28 29.022 28.397 16.894 193 HE2 TYR 28 HE2 TYR 28 25.821 31.127 15.988 194 HH TYR 28 HH TYR 28 27.207 27.928 15.400 195 H LYS 29 H LYS 29 32.523 33.526 18.873 196 HA LYS 29 HA LYS 29 34.283 32.462 16.754 197 HB2 LYS 29 HB2 LYS 29 34.653 32.899 19.751 198 HB3 LYS 29 HB3 LYS 29 35.952 32.470 18.636 199 HG2 LYS 29 HG2 LYS 29 34.327 35.046 18.462 200 HG3 LYS 29 HG3 LYS 29 35.863 34.878 19.315 201 HD2 LYS 29 HD2 LYS 29 37.022 34.263 17.251 202 HD3 LYS 29 HD3 LYS 29 35.495 34.330 16.334 203 HE2 LYS 29 HE2 LYS 29 35.213 36.683 16.892 204 HE3 LYS 29 HE3 LYS 29 36.688 36.664 17.885 205 HZ1 LYS 29 HZ1 LYS 29 36.602 36.138 14.964 206 HZ2 LYS 29 HZ2 LYS 29 37.142 37.529 15.660 207 HZ3 LYS 29 HZ3 LYS 29 37.965 36.128 15.890 208 H TYR 30 H TYR 30 32.720 31.188 19.630 209 HA TYR 30 HA TYR 30 33.199 28.362 19.045 210 HB2 TYR 30 HB2 TYR 30 34.335 28.273 21.463 211 HB3 TYR 30 HB3 TYR 30 35.263 28.528 20.008 212 HD1 TYR 30 HD1 TYR 30 33.361 30.747 22.448 213 HD2 TYR 30 HD2 TYR 30 36.985 30.043 20.218 214 HE1 TYR 30 HE1 TYR 30 34.272 32.905 23.233 215 HE2 TYR 30 HE2 TYR 30 37.891 32.221 20.984 216 HH TYR 30 HH TYR 30 37.478 34.146 22.129 217 H CYS 31 H CYS 31 32.421 27.128 21.259 218 HA CYS 31 HA CYS 31 29.718 28.060 21.873 219 HB2 CYS 31 HB2 CYS 31 31.516 25.961 23.136 220 HB3 CYS 31 HB3 CYS 31 29.858 26.246 23.609 221 H GLN 32 H GLN 32 29.103 29.423 23.492 222 HA GLN 32 HA GLN 32 31.110 30.537 25.371 223 HB2 GLN 32 HB2 GLN 32 28.113 31.035 25.208 224 HB3 GLN 32 HB3 GLN 32 29.290 31.939 26.156 225 HG2 GLN 32 HG2 GLN 32 29.054 31.863 23.113 226 HG3 GLN 32 HG3 GLN 32 28.676 33.208 24.192 227 HE21 GLN 32 HE21 GLN 32 32.144 34.083 24.703 228 HE22 GLN 32 HE22 GLN 32 30.592 34.099 25.534 229 H CYS 33 H CYS 33 31.127 30.037 27.574 230 HA CYS 33 HA CYS 33 29.471 27.691 28.530 231 HB2 CYS 33 HB2 CYS 33 32.270 28.529 29.358 232 HB3 CYS 33 HB3 CYS 33 31.377 27.107 29.860 233 H GLN 34 H GLN 34 29.475 27.601 30.941 234 HA GLN 34 HA GLN 34 27.765 29.546 31.815 235 HB2 GLN 34 HB2 GLN 34 27.945 27.292 32.776 236 HB3 GLN 34 HB3 GLN 34 29.448 27.746 33.592 237 HG2 GLN 34 HG2 GLN 34 27.562 27.769 35.138 238 HG3 GLN 34 HG3 GLN 34 28.245 29.376 34.979 239 HE21 GLN 34 HE21 GLN 34 25.247 30.753 33.532 240 HE22 GLN 34 HE22 GLN 34 27.014 30.948 33.589 Start of MODEL 20 1 H1 GLY 1 H1 GLY 1 20.423 21.178 6.506 2 H2 GLY 1 H2 GLY 1 21.025 19.639 6.459 3 H3 GLY 1 H3 GLY 1 21.074 20.592 5.115 4 HA2 GLY 1 HA2 GLY 1 23.242 20.376 6.178 5 HA3 GLY 1 HA3 GLY 1 22.663 22.047 6.051 6 H SER 2 H SER 2 24.580 21.611 7.886 7 HA SER 2 HA SER 2 23.521 20.809 10.469 8 HB2 SER 2 HB2 SER 2 25.745 21.170 11.273 9 HB3 SER 2 HB3 SER 2 25.816 20.284 9.751 10 HG SER 2 HG SER 2 27.294 22.162 10.176 11 H ALA 3 H ALA 3 23.535 21.993 12.412 12 HA ALA 3 HA ALA 3 23.720 24.929 12.398 13 HB1 ALA 3 HB1 ALA 3 21.171 23.444 13.174 14 HB2 ALA 3 HB2 ALA 3 21.457 25.187 13.359 15 HB3 ALA 3 HB3 ALA 3 21.370 24.475 11.736 16 H CYS 4 H CYS 4 23.639 25.813 14.666 17 HA CYS 4 HA CYS 4 25.032 24.052 16.523 18 HB2 CYS 4 HB2 CYS 4 25.623 26.387 16.364 19 HB3 CYS 4 HB3 CYS 4 24.015 26.863 16.921 20 H GLN 5 H GLN 5 24.204 22.796 18.067 21 HA GLN 5 HA GLN 5 21.460 23.372 19.091 22 HB2 GLN 5 HB2 GLN 5 22.810 20.655 19.102 23 HB3 GLN 5 HB3 GLN 5 21.210 21.047 19.695 24 HG2 GLN 5 HG2 GLN 5 22.067 21.231 16.775 25 HG3 GLN 5 HG3 GLN 5 21.096 19.952 17.489 26 HE21 GLN 5 HE21 GLN 5 18.805 22.447 15.863 27 HE22 GLN 5 HE22 GLN 5 20.117 21.433 15.280 28 H PHE 6 H PHE 6 21.379 24.128 21.107 29 HA PHE 6 HA PHE 6 23.755 24.689 22.499 30 HB2 PHE 6 HB2 PHE 6 22.475 25.503 24.298 31 HB3 PHE 6 HB3 PHE 6 21.658 25.962 22.822 32 HD1 PHE 6 HD1 PHE 6 19.332 25.416 22.549 33 HD2 PHE 6 HD2 PHE 6 21.606 23.579 25.714 34 HE1 PHE 6 HE1 PHE 6 17.252 24.419 23.466 35 HE2 PHE 6 HE2 PHE 6 19.546 22.551 26.598 36 HZ PHE 6 HZ PHE 6 17.355 22.979 25.487 37 H TRP 7 H TRP 7 21.634 21.816 22.897 38 HA TRP 7 HA TRP 7 22.726 20.983 25.355 39 HB2 TRP 7 HB2 TRP 7 21.699 18.949 25.067 40 HB3 TRP 7 HB3 TRP 7 20.666 20.136 24.279 41 HD1 TRP 7 HD1 TRP 7 22.329 19.901 21.393 42 HE1 TRP 7 HE1 TRP 7 21.718 17.908 19.890 43 HE3 TRP 7 HE3 TRP 7 20.266 16.813 24.915 44 HZ2 TRP 7 HZ2 TRP 7 20.384 15.370 20.163 45 HZ3 TRP 7 HZ3 TRP 7 19.240 14.650 24.243 46 HH2 TRP 7 HH2 TRP 7 19.297 13.923 21.873 47 H SER 8 H SER 8 24.105 20.554 22.162 48 HA SER 8 HA SER 8 26.208 18.717 22.982 49 HB2 SER 8 HB2 SER 8 26.018 20.445 20.485 50 HB3 SER 8 HB3 SER 8 27.022 19.004 20.729 51 HG SER 8 HG SER 8 25.247 18.262 19.691 52 H CYS 9 H CYS 9 26.045 22.255 22.265 53 HA CYS 9 HA CYS 9 28.737 22.905 22.986 54 HB2 CYS 9 HB2 CYS 9 26.106 24.397 22.943 55 HB3 CYS 9 HB3 CYS 9 27.490 25.126 23.738 56 H ASN 10 H ASN 10 25.820 22.581 24.987 57 HA ASN 10 HA ASN 10 26.801 23.417 27.471 58 HB2 ASN 10 HB2 ASN 10 24.433 22.910 26.693 59 HB3 ASN 10 HB3 ASN 10 24.779 21.206 26.882 60 HD21 ASN 10 HD21 ASN 10 24.039 21.340 30.309 61 HD22 ASN 10 HD22 ASN 10 24.539 20.343 28.940 62 H SER 11 H SER 11 26.791 20.067 26.135 63 HA SER 11 HA SER 11 28.347 18.860 28.190 64 HB2 SER 11 HB2 SER 11 28.075 18.191 25.235 65 HB3 SER 11 HB3 SER 11 28.846 17.146 26.436 66 HG SER 11 HG SER 11 26.642 16.673 26.040 67 H SER 12 H SER 12 29.464 20.501 25.150 68 HA SER 12 HA SER 12 32.233 19.867 25.525 69 HB2 SER 12 HB2 SER 12 30.996 22.263 24.116 70 HB3 SER 12 HB3 SER 12 32.697 21.759 24.022 71 HG SER 12 HG SER 12 31.906 20.740 22.351 72 H CYS 13 H CYS 13 30.400 22.824 26.537 73 HA CYS 13 HA CYS 13 32.546 24.061 27.924 74 HB2 CYS 13 HB2 CYS 13 29.531 24.124 28.248 75 HB3 CYS 13 HB3 CYS 13 30.603 25.137 29.197 76 H ILE 14 H ILE 14 30.019 21.811 29.311 77 HA ILE 14 HA ILE 14 31.216 21.741 31.875 78 HB ILE 14 HB ILE 14 29.614 19.567 30.487 79 HG12 ILE 14 HG12 ILE 14 28.557 21.466 32.606 80 HG13 ILE 14 HG13 ILE 14 28.576 22.009 30.939 81 HG21 ILE 14 HG21 ILE 14 30.534 20.081 33.340 82 HG22 ILE 14 HG22 ILE 14 29.175 18.991 32.980 83 HG23 ILE 14 HG23 ILE 14 30.796 18.623 32.372 84 HD11 ILE 14 HD11 ILE 14 27.201 20.075 30.253 85 HD12 ILE 14 HD12 ILE 14 27.178 19.500 31.929 86 HD13 ILE 14 HD13 ILE 14 26.407 21.041 31.516 87 H SER 15 H SER 15 32.035 19.760 29.012 88 HA SER 15 HA SER 15 33.915 18.032 30.312 89 HB2 SER 15 HB2 SER 15 33.918 19.000 27.427 90 HB3 SER 15 HB3 SER 15 34.793 17.603 28.067 91 HG SER 15 HG SER 15 31.962 17.972 28.045 92 H ARG 16 H ARG 16 34.239 21.344 29.178 93 HA ARG 16 HA ARG 16 37.149 21.559 29.667 94 HB2 ARG 16 HB2 ARG 16 35.021 23.734 29.380 95 HB3 ARG 16 HB3 ARG 16 36.757 24.000 29.488 96 HG2 ARG 16 HG2 ARG 16 37.120 22.840 27.368 97 HG3 ARG 16 HG3 ARG 16 35.415 22.381 27.309 98 HD2 ARG 16 HD2 ARG 16 35.867 24.238 25.786 99 HD3 ARG 16 HD3 ARG 16 34.728 24.699 27.056 100 HE ARG 16 HE ARG 16 37.459 25.382 27.789 101 HH11 ARG 16 HH11 ARG 16 34.902 26.572 25.615 102 HH12 ARG 16 HH12 ARG 16 35.480 28.196 25.777 103 HH21 ARG 16 HH21 ARG 16 37.964 27.476 28.038 104 HH22 ARG 16 HH22 ARG 16 37.067 28.717 27.185 105 H GLY 17 H GLY 17 34.187 22.179 31.497 106 HA2 GLY 17 HA2 GLY 17 34.796 21.435 33.928 107 HA3 GLY 17 HA3 GLY 17 35.755 22.916 33.931 108 H TYR 18 H TYR 18 32.997 23.573 32.088 109 HA TYR 18 HA TYR 18 31.926 25.231 34.251 110 HB2 TYR 18 HB2 TYR 18 31.263 24.928 31.307 111 HB3 TYR 18 HB3 TYR 18 30.570 26.136 32.351 112 HD1 TYR 18 HD1 TYR 18 31.654 28.221 32.768 113 HD2 TYR 18 HD2 TYR 18 33.846 24.980 30.960 114 HE1 TYR 18 HE1 TYR 18 33.471 29.791 32.148 115 HE2 TYR 18 HE2 TYR 18 35.681 26.563 30.355 116 HH TYR 18 HH TYR 18 36.518 28.746 30.650 117 H ARG 19 H ARG 19 29.259 25.404 33.532 118 HA ARG 19 HA ARG 19 28.002 22.777 34.235 119 HB2 ARG 19 HB2 ARG 19 27.506 25.395 35.716 120 HB3 ARG 19 HB3 ARG 19 26.559 23.924 35.878 121 HG2 ARG 19 HG2 ARG 19 27.909 23.659 37.670 122 HG3 ARG 19 HG3 ARG 19 28.857 22.795 36.461 123 HD2 ARG 19 HD2 ARG 19 30.126 25.044 36.128 124 HD3 ARG 19 HD3 ARG 19 29.288 25.598 37.583 125 HE ARG 19 HE ARG 19 30.392 23.126 38.249 126 HH11 ARG 19 HH11 ARG 19 31.870 26.133 37.131 127 HH12 ARG 19 HH12 ARG 19 33.395 25.690 37.875 128 HH21 ARG 19 HH21 ARG 19 32.234 22.725 39.176 129 HH22 ARG 19 HH22 ARG 19 33.623 23.778 38.998 130 H GLN 20 H GLN 20 28.112 25.077 31.985 131 HA GLN 20 HA GLN 20 25.597 24.510 30.818 132 HB2 GLN 20 HB2 GLN 20 25.060 26.344 32.564 133 HB3 GLN 20 HB3 GLN 20 25.986 27.438 31.537 134 HG2 GLN 20 HG2 GLN 20 24.435 27.009 29.651 135 HG3 GLN 20 HG3 GLN 20 23.609 25.771 30.597 136 HE21 GLN 20 HE21 GLN 20 21.246 28.209 31.490 137 HE22 GLN 20 HE22 GLN 20 21.570 26.599 30.879 138 H GLY 21 H GLY 21 25.451 25.338 28.624 139 HA2 GLY 21 HA2 GLY 21 27.270 27.205 27.577 140 HA3 GLY 21 HA3 GLY 21 27.815 25.597 27.078 141 H TYR 22 H TYR 22 27.035 27.660 25.325 142 HA TYR 22 HA TYR 22 25.005 26.477 23.612 143 HB2 TYR 22 HB2 TYR 22 23.486 28.553 23.794 144 HB3 TYR 22 HB3 TYR 22 23.394 27.351 25.065 145 HD1 TYR 22 HD1 TYR 22 23.697 27.850 27.311 146 HD2 TYR 22 HD2 TYR 22 24.898 30.705 24.304 147 HE1 TYR 22 HE1 TYR 22 24.257 29.500 29.097 148 HE2 TYR 22 HE2 TYR 22 25.402 32.359 26.082 149 HH TYR 22 HH TYR 22 25.433 32.777 28.313 150 H CYS 23 H CYS 23 24.575 28.000 21.639 151 HA CYS 23 HA CYS 23 27.091 29.412 20.949 152 HB2 CYS 23 HB2 CYS 23 24.675 28.624 19.318 153 HB3 CYS 23 HB3 CYS 23 25.951 29.668 18.710 154 H TRP 24 H TRP 24 27.283 31.509 20.350 155 HA TRP 24 HA TRP 24 25.453 33.585 21.280 156 HB2 TRP 24 HB2 TRP 24 27.942 33.521 19.531 157 HB3 TRP 24 HB3 TRP 24 27.035 34.988 19.808 158 HD1 TRP 24 HD1 TRP 24 29.814 33.052 21.237 159 HE1 TRP 24 HE1 TRP 24 30.688 34.246 23.346 160 HE3 TRP 24 HE3 TRP 24 25.976 36.364 22.008 161 HZ2 TRP 24 HZ2 TRP 24 29.770 36.190 25.224 162 HZ3 TRP 24 HZ3 TRP 24 26.025 37.896 23.954 163 HH2 TRP 24 HH2 TRP 24 27.893 37.800 25.590 164 H GLY 25 H GLY 25 24.476 35.182 19.776 165 HA2 GLY 25 HA2 GLY 25 23.427 34.037 17.264 166 HA3 GLY 25 HA3 GLY 25 23.047 35.610 17.972 167 H ILE 26 H ILE 26 26.206 35.914 18.176 168 HA ILE 26 HA ILE 26 26.690 36.790 15.376 169 HB ILE 26 HB ILE 26 26.487 38.527 17.842 170 HG12 ILE 26 HG12 ILE 26 25.376 38.660 14.999 171 HG13 ILE 26 HG13 ILE 26 24.479 38.234 16.456 172 HG21 ILE 26 HG21 ILE 26 27.537 40.390 16.661 173 HG22 ILE 26 HG22 ILE 26 28.685 39.099 16.845 174 HG23 ILE 26 HG23 ILE 26 27.885 39.353 15.264 175 HD11 ILE 26 HD11 ILE 26 24.796 40.521 17.342 176 HD12 ILE 26 HD12 ILE 26 25.599 40.978 15.823 177 HD13 ILE 26 HD13 ILE 26 23.917 40.467 15.798 178 H GLN 27 H GLN 27 28.611 36.625 14.663 179 HA GLN 27 HA GLN 27 30.805 36.094 14.405 180 HB2 GLN 27 HB2 GLN 27 30.856 38.270 16.510 181 HB3 GLN 27 HB3 GLN 27 32.265 37.786 15.564 182 HG2 GLN 27 HG2 GLN 27 31.433 38.620 13.554 183 HG3 GLN 27 HG3 GLN 27 29.762 38.549 14.066 184 HE21 GLN 27 HE21 GLN 27 30.354 42.099 14.026 185 HE22 GLN 27 HE22 GLN 27 29.828 40.733 13.026 186 H TYR 28 H TYR 28 30.455 33.864 15.286 187 HA TYR 28 HA TYR 28 32.375 33.380 17.508 188 HB2 TYR 28 HB2 TYR 28 30.847 31.914 18.666 189 HB3 TYR 28 HB3 TYR 28 30.138 33.511 18.515 190 HD1 TYR 28 HD1 TYR 28 28.293 33.916 16.865 191 HD2 TYR 28 HD2 TYR 28 29.800 29.958 17.645 192 HE1 TYR 28 HE1 TYR 28 26.348 32.957 15.661 193 HE2 TYR 28 HE2 TYR 28 27.866 28.989 16.420 194 HH TYR 28 HH TYR 28 26.192 29.461 14.927 195 H LYS 29 H LYS 29 33.529 31.591 17.463 196 HA LYS 29 HA LYS 29 32.771 29.272 15.783 197 HB2 LYS 29 HB2 LYS 29 35.060 28.988 14.947 198 HB3 LYS 29 HB3 LYS 29 34.231 30.426 14.368 199 HG2 LYS 29 HG2 LYS 29 35.508 31.775 16.123 200 HG3 LYS 29 HG3 LYS 29 36.409 30.308 16.500 201 HD2 LYS 29 HD2 LYS 29 37.643 31.795 15.005 202 HD3 LYS 29 HD3 LYS 29 37.301 30.246 14.208 203 HE2 LYS 29 HE2 LYS 29 35.541 31.228 12.869 204 HE3 LYS 29 HE3 LYS 29 35.565 32.720 13.827 205 HZ1 LYS 29 HZ1 LYS 29 36.711 32.950 11.695 206 HZ2 LYS 29 HZ2 LYS 29 37.722 33.224 12.957 207 HZ3 LYS 29 HZ3 LYS 29 37.842 31.817 12.144 208 H TYR 30 H TYR 30 33.071 30.167 18.775 209 HA TYR 30 HA TYR 30 33.482 27.370 19.654 210 HB2 TYR 30 HB2 TYR 30 34.623 29.798 21.091 211 HB3 TYR 30 HB3 TYR 30 34.606 28.156 21.710 212 HD1 TYR 30 HD1 TYR 30 36.111 26.412 20.773 213 HD2 TYR 30 HD2 TYR 30 36.220 30.497 19.384 214 HE1 TYR 30 HE1 TYR 30 38.334 26.006 19.720 215 HE2 TYR 30 HE2 TYR 30 38.417 30.066 18.301 216 HH TYR 30 HH TYR 30 40.155 26.957 18.669 217 H CYS 31 H CYS 31 32.191 26.807 21.475 218 HA CYS 31 HA CYS 31 29.671 28.191 21.787 219 HB2 CYS 31 HB2 CYS 31 30.971 26.053 23.510 220 HB3 CYS 31 HB3 CYS 31 29.278 26.497 23.538 221 H GLN 32 H GLN 32 28.887 29.411 23.508 222 HA GLN 32 HA GLN 32 30.763 30.695 25.395 223 HB2 GLN 32 HB2 GLN 32 28.451 31.551 24.124 224 HB3 GLN 32 HB3 GLN 32 27.811 31.064 25.684 225 HG2 GLN 32 HG2 GLN 32 30.107 33.025 25.237 226 HG3 GLN 32 HG3 GLN 32 28.422 33.475 25.492 227 HE21 GLN 32 HE21 GLN 32 28.622 33.261 29.015 228 HE22 GLN 32 HE22 GLN 32 27.603 33.577 27.630 229 H CYS 33 H CYS 33 30.445 30.427 27.730 230 HA CYS 33 HA CYS 33 29.208 27.833 28.584 231 HB2 CYS 33 HB2 CYS 33 32.015 28.773 29.254 232 HB3 CYS 33 HB3 CYS 33 31.241 27.289 29.770 233 H GLN 34 H GLN 34 29.231 27.622 30.981 234 HA GLN 34 HA GLN 34 27.411 29.190 32.077 235 HB2 GLN 34 HB2 GLN 34 28.158 27.102 33.079 236 HB3 GLN 34 HB3 GLN 34 29.632 27.874 33.669 237 HG2 GLN 34 HG2 GLN 34 28.113 27.625 35.497 238 HG3 GLN 34 HG3 GLN 34 28.282 29.333 35.160 239 HE21 GLN 34 HE21 GLN 34 24.814 29.685 34.197 240 HE22 GLN 34 HE22 GLN 34 26.423 30.360 33.850
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